Ligand source activities (1 row/activity)
| Ligands (move mouse cursor over ligand name to see structure) | Receptor | Assay information | Chemical information | ||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Sel. page | Common name |
GPCRdb ID |
#Vendors |
Reference ligand |
Fold selectivity |
# Tested GPCRs |
Species |
p-value (-log) |
Activity Type |
Activity Relation |
Activity Value |
AssayType |
Assay Description |
Source |
Mol weight |
Rot Bonds |
H don |
H acc |
LogP |
Smiles |
DOI |
| 56841989 | 213420 | 6 | None | -3 | 6 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
| CHEMBL4281479 | 213420 | 6 | None | -3 | 6 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
| 56841989 | 213420 | 6 | None | -3 | 6 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
| CHEMBL4281479 | 213420 | 6 | None | -3 | 6 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
| CHEMBL4288294 | 213478 | 0 | None | -3 | 2 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N(C)[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
| CHEMBL3099727 | 211026 | 0 | None | -30 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@H](C(=O)O[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/ml400335g | ||||
| 162676875 | 183572 | 0 | None | -1995 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 4218 | 130 | 63 | 56 | -15.0 | CC(C)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/acs.jmedchem.0c00740 | ||
| CHEMBL4800389 | 183572 | 0 | None | -1995 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 4218 | 130 | 63 | 56 | -15.0 | CC(C)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/acs.jmedchem.0c00740 | ||
| CHEMBL4277676 | 213375 | 0 | None | -31 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
| CHEMBL4290445 | 213495 | 0 | None | -100 | 4 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N(C)[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
| CHEMBL4277676 | 213375 | 0 | None | -31 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
| CHEMBL4290445 | 213495 | 0 | None | -100 | 4 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N(C)[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
| CHEMBL3099723 | 211022 | 0 | None | -2 | 4 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)O[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/ml400335g | ||||
| CHEMBL3099722 | 211021 | 0 | None | -85 | 4 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)O[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/ml400335g | ||||
| CHEMBL4284905 | 213450 | 0 | None | -12 | 4 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC | 10.1021/acs.jmedchem.8b01046 | ||||
| CHEMBL4284905 | 213450 | 0 | None | -12 | 4 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC | 10.1021/acs.jmedchem.8b01046 | ||||
| CHEMBL2110365 | 209213 | 4 | None | -213 | 3 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@H]1CCC(=O)NC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](N)[C@@H](C)CC)CCC(=O)NC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@@H]2CCCN2C1=O | 10.1021/jm010031k | ||||
| CHEMBL4280392 | 213406 | 0 | None | -31 | 4 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N(C)[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
| CHEMBL4280392 | 213406 | 0 | None | -31 | 4 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N(C)[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
| CHEMBL3099721 | 211020 | 0 | None | -95 | 4 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/ml400335g | ||||
| CHEMBL4277590 | 213373 | 0 | None | -1 | 3 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
| 12607 | 3784 | 42 | None | -79 | 4 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 248 | 2 | 1 | 2 | 3.7 | CC(C)(C)C1=CC=C(C=C1)OC2CCCCC2O | 10.1021/acs.jmedchem.7b00976 | ||
| 16033 | 3784 | 42 | None | -79 | 4 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 248 | 2 | 1 | 2 | 3.7 | CC(C)(C)C1=CC=C(C=C1)OC2CCCCC2O | 10.1021/acs.jmedchem.7b00976 | ||
| CHEMBL3559801 | 3784 | 42 | None | -79 | 4 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 248 | 2 | 1 | 2 | 3.7 | CC(C)(C)C1=CC=C(C=C1)OC2CCCCC2O | 10.1021/acs.jmedchem.7b00976 | ||
| CHEMBL4277590 | 213373 | 0 | None | -1 | 3 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
| CHEMBL4279973 | 213401 | 0 | None | -19 | 4 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N(C)[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
| CHEMBL3099724 | 211023 | 0 | None | -35 | 4 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/ml400335g | ||||
| CHEMBL4294418 | 213531 | 0 | None | -199 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CCC(=O)NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O)[C@@H](C)O)C(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CCCCCNC(=O)[C@H](CCCCN)NC1=O | 10.1021/acs.jmedchem.8b01046 | ||||
| CHEMBL4279973 | 213401 | 0 | None | -19 | 4 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N(C)[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
| CHEMBL4294418 | 213531 | 0 | None | -199 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CCC(=O)NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O)[C@@H](C)O)C(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CCCCCNC(=O)[C@H](CCCCN)NC1=O | 10.1021/acs.jmedchem.8b01046 | ||||
| CHEMBL439904 | 213854 | 13 | None | -72 | 4 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.0c00740 | ||||
| CHEMBL3099724 | 211023 | 0 | None | -35 | 4 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/ml400335g | ||||
| CHEMBL4276961 | 213368 | 0 | None | -50 | 4 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O | 10.1021/acs.jmedchem.8b01046 | ||||
| CHEMBL4286615 | 213464 | 0 | None | -31 | 4 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N(C)[C@@H](CCC(N)=O)CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O | 10.1021/acs.jmedchem.8b01046 | ||||
| CHEMBL4276961 | 213368 | 0 | None | -50 | 4 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O | 10.1021/acs.jmedchem.8b01046 | ||||
| CHEMBL4286615 | 213464 | 0 | None | -31 | 4 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N(C)[C@@H](CCC(N)=O)CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O | 10.1021/acs.jmedchem.8b01046 | ||||
| CHEMBL4285633 | 213457 | 0 | None | -6 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCNC(=N)N)CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
| CHEMBL4294277 | 213530 | 0 | None | -5 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
| CHEMBL4285633 | 213457 | 0 | None | -6 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCNC(=N)N)CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
| CHEMBL4294277 | 213530 | 0 | None | -5 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
| CHEMBL4281010 | 213413 | 0 | None | -63 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CCCCCNC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CCC(=O)NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O)[C@@H](C)O)[C@@H](C)CC)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/acs.jmedchem.8b01046 | ||||
| CHEMBL4281010 | 213413 | 0 | None | -63 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CCCCCNC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CCC(=O)NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O)[C@@H](C)O)[C@@H](C)CC)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/acs.jmedchem.8b01046 | ||||
| CHEMBL4278700 | 213390 | 0 | None | -31 | 4 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O | 10.1021/acs.jmedchem.8b01046 | ||||
| CHEMBL4278700 | 213390 | 0 | None | -31 | 4 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O | 10.1021/acs.jmedchem.8b01046 | ||||
| CHEMBL429531 | 213537 | 15 | None | -29 | 2 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/jm010031k | ||||
| CHEMBL4279794 | 213399 | 0 | None | -7 | 4 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
| CHEMBL4292105 | 213513 | 0 | None | -7 | 4 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
| CHEMBL4279794 | 213399 | 0 | None | -7 | 4 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
| CHEMBL4292105 | 213513 | 0 | None | -7 | 4 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
| CHEMBL4282168 | 213429 | 0 | None | -158 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c1ccccc1N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
| CHEMBL4283257 | 213437 | 0 | None | -158 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
| CHEMBL4282168 | 213429 | 0 | None | -158 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c1ccccc1N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
| CHEMBL4283257 | 213437 | 0 | None | -158 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
| CHEMBL439904 | 213854 | 13 | None | -72 | 4 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/ml400335g | ||||
| 22253974 | 65977 | 0 | None | - | 1 | Human | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 411 | 9 | 2 | 6 | 4.0 | CCS(=O)(=O)NCCCCCNc1nc2c(s1)CCSc1ccccc1-2 | 10.1016/j.bmcl.2011.06.124 | ||
| CHEMBL1836324 | 65977 | 0 | None | - | 1 | Human | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 411 | 9 | 2 | 6 | 4.0 | CCS(=O)(=O)NCCCCCNc1nc2c(s1)CCSc1ccccc1-2 | 10.1016/j.bmcl.2011.06.124 | ||
| 44271559 | 98157 | 0 | None | - | 1 | Human | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 418 | 7 | 2 | 6 | 5.1 | CCS(=O)(=O)Cc1ccc(Nc2nc(Nc3ccccc3)c3ccccc3n2)cc1 | 10.1016/s0960-894x(00)00177-3 | ||
| CHEMBL273811 | 98157 | 0 | None | - | 1 | Human | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 418 | 7 | 2 | 6 | 5.1 | CCS(=O)(=O)Cc1ccc(Nc2nc(Nc3ccccc3)c3ccccc3n2)cc1 | 10.1016/s0960-894x(00)00177-3 | ||
| 9908801 | 65972 | 0 | None | - | 1 | Human | 9.1 | pIC50 | = | 9.1 | Functional | ChEMBL | 397 | 8 | 2 | 5 | 3.6 | CS(=O)(=O)NCCCCCNc1nc2c(s1)CCCc1ccc(F)cc1-2 | 10.1016/j.bmcl.2011.06.124 | ||
| CHEMBL1836319 | 65972 | 0 | None | - | 1 | Human | 9.1 | pIC50 | = | 9.1 | Functional | ChEMBL | 397 | 8 | 2 | 5 | 3.6 | CS(=O)(=O)NCCCCCNc1nc2c(s1)CCCc1ccc(F)cc1-2 | 10.1016/j.bmcl.2011.06.124 | ||
| 44271542 | 64587 | 0 | None | - | 1 | Human | 9.1 | pIC50 | = | 9.1 | Functional | ChEMBL | 433 | 7 | 2 | 6 | 4.5 | CN(C)S(=O)(=O)Cc1ccc(Nc2nc(Nc3ccccc3)c3ccccc3n2)cc1 | 10.1016/s0960-894x(00)00177-3 | ||
| CHEMBL18163 | 64587 | 0 | None | - | 1 | Human | 9.1 | pIC50 | = | 9.1 | Functional | ChEMBL | 433 | 7 | 2 | 6 | 4.5 | CN(C)S(=O)(=O)Cc1ccc(Nc2nc(Nc3ccccc3)c3ccccc3n2)cc1 | 10.1016/s0960-894x(00)00177-3 | ||
| 22325336 | 188958 | 1 | None | - | 1 | Human | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 353 | 1 | 1 | 4 | 3.9 | O=C1OC2(CCN(c3nc4cc(Cl)ccc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.018 | ||
| CHEMBL508271 | 188958 | 1 | None | - | 1 | Human | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 353 | 1 | 1 | 4 | 3.9 | O=C1OC2(CCN(c3nc4cc(Cl)ccc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.018 | ||
| 11491176 | 200043 | 38 | None | 1 | 2 | Human | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 406 | 3 | 1 | 6 | 3.6 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ccn(-c4ccccc4F)n3)CC2)c2cnccc21 | 10.1016/j.bmcl.2010.09.064 | ||
| CHEMBL595573 | 200043 | 38 | None | 1 | 2 | Human | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 406 | 3 | 1 | 6 | 3.6 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ccn(-c4ccccc4F)n3)CC2)c2cnccc21 | 10.1016/j.bmcl.2010.09.064 | ||
| 9887852 | 65975 | 0 | None | - | 1 | Human | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 411 | 9 | 2 | 5 | 4.0 | CCS(=O)(=O)NCCCCCNc1nc2c(s1)CCCc1ccc(F)cc1-2 | 10.1016/j.bmcl.2011.06.124 | ||
| CHEMBL1836322 | 65975 | 0 | None | - | 1 | Human | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 411 | 9 | 2 | 5 | 4.0 | CCS(=O)(=O)NCCCCCNc1nc2c(s1)CCCc1ccc(F)cc1-2 | 10.1016/j.bmcl.2011.06.124 | ||
| 44580050 | 184204 | 0 | None | - | 1 | Human | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 387 | 1 | 1 | 4 | 4.5 | O=C1OC2(CCN(c3nc4cc(Cl)c(Cl)cc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.018 | ||
| CHEMBL483251 | 184204 | 0 | None | - | 1 | Human | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 387 | 1 | 1 | 4 | 4.5 | O=C1OC2(CCN(c3nc4cc(Cl)c(Cl)cc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.018 | ||
| 20587808 | 187856 | 0 | None | - | 1 | Human | 8.8 | pIC50 | = | 8.8 | Functional | ChEMBL | 377 | 2 | 1 | 6 | 3.0 | COC(=O)c1ccc2[nH]c(N3CCC4(CC3)OC(=O)c3ccccc34)nc2c1 | 10.1016/j.bmcl.2008.08.018 | ||
| CHEMBL496327 | 187856 | 0 | None | - | 1 | Human | 8.8 | pIC50 | = | 8.8 | Functional | ChEMBL | 377 | 2 | 1 | 6 | 3.0 | COC(=O)c1ccc2[nH]c(N3CCC4(CC3)OC(=O)c3ccccc34)nc2c1 | 10.1016/j.bmcl.2008.08.018 | ||
| 12071667 | 188021 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 395 | 2 | 1 | 4 | 4.9 | O=C1OC2(CCN(c3nc4cc(-c5ccccc5)ccc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.018 | ||
| CHEMBL497569 | 188021 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 395 | 2 | 1 | 4 | 4.9 | O=C1OC2(CCN(c3nc4cc(-c5ccccc5)ccc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.018 | ||
| 22254068 | 65970 | 32 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 423 | 5 | 2 | 6 | 4.0 | CS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc3c(s2)CCSc2ccccc2-3)CC1 | 10.1016/j.bmcl.2011.06.124 | ||
| CHEMBL1836317 | 65970 | 32 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 423 | 5 | 2 | 6 | 4.0 | CS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc3c(s2)CCSc2ccccc2-3)CC1 | 10.1016/j.bmcl.2011.06.124 | ||
| 20651581 | 65979 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 451 | 8 | 2 | 5 | 4.1 | O=S(=O)(CC(F)(F)F)NCCCCNc1nc2c(s1)CCCc1ccc(F)cc1-2 | 10.1016/j.bmcl.2011.06.124 | ||
| CHEMBL1836326 | 65979 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 451 | 8 | 2 | 5 | 4.1 | O=S(=O)(CC(F)(F)F)NCCCCNc1nc2c(s1)CCCc1ccc(F)cc1-2 | 10.1016/j.bmcl.2011.06.124 | ||
| 22254003 | 65968 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 489 | 6 | 2 | 8 | 4.1 | Cn1cnc(S(=O)(=O)NC[C@H]2CC[C@H](Nc3nc4c(s3)CCSc3ccccc3-4)CC2)c1 | 10.1016/j.bmcl.2011.06.124 | ||
| CHEMBL1836315 | 65968 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 489 | 6 | 2 | 8 | 4.1 | Cn1cnc(S(=O)(=O)NC[C@H]2CC[C@H](Nc3nc4c(s3)CCSc3ccccc3-4)CC2)c1 | 10.1016/j.bmcl.2011.06.124 | ||
| 57393057 | 71240 | 0 | None | - | 1 | Mouse | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 370 | 4 | 1 | 5 | 4.4 | CCS(=O)(=O)c1ccc2oc(Nc3ccc(C(F)(F)F)cc3)nc2c1 | 10.1016/j.bmcl.2012.01.027 | ||
| CHEMBL1956843 | 71240 | 0 | None | - | 1 | Mouse | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 370 | 4 | 1 | 5 | 4.4 | CCS(=O)(=O)c1ccc2oc(Nc3ccc(C(F)(F)F)cc3)nc2c1 | 10.1016/j.bmcl.2012.01.027 | ||
| 44271459 | 59953 | 1 | None | - | 1 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 346 | 4 | 2 | 4 | 5.8 | Clc1ccc(Nc2nc(Nc3ccccc3)c3ccccc3n2)cc1 | 10.1016/s0960-894x(00)00177-3 | ||
| CHEMBL17326 | 59953 | 1 | None | - | 1 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 346 | 4 | 2 | 4 | 5.8 | Clc1ccc(Nc2nc(Nc3ccccc3)c3ccccc3n2)cc1 | 10.1016/s0960-894x(00)00177-3 | ||
| 57391285 | 71267 | 0 | None | - | 1 | Mouse | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 371 | 4 | 1 | 6 | 3.8 | CCS(=O)(=O)c1ccc2oc(Nc3ccc(C(F)(F)F)cn3)nc2c1 | 10.1016/j.bmcl.2012.01.027 | ||
| CHEMBL1956938 | 71267 | 0 | None | - | 1 | Mouse | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 371 | 4 | 1 | 6 | 3.8 | CCS(=O)(=O)c1ccc2oc(Nc3ccc(C(F)(F)F)cn3)nc2c1 | 10.1016/j.bmcl.2012.01.027 | ||
| 57399999 | 71265 | 0 | None | - | 1 | Mouse | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 316 | 5 | 1 | 5 | 3.2 | CCS(=O)(=O)c1ccc2oc(NCc3ccccc3)nc2c1 | 10.1016/j.bmcl.2012.01.027 | ||
| CHEMBL1956935 | 71265 | 0 | None | - | 1 | Mouse | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 316 | 5 | 1 | 5 | 3.2 | CCS(=O)(=O)c1ccc2oc(NCc3ccccc3)nc2c1 | 10.1016/j.bmcl.2012.01.027 | ||
| 24950871 | 178529 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 446 | 1 | 1 | 4 | 6.9 | O=C1CC2(CCCCC2)CC(O)=C1C1C2=C(CC3(CCCCC3)CC2=O)Oc2ccccc21 | 10.1021/jm8003587 | ||
| CHEMBL466756 | 178529 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 446 | 1 | 1 | 4 | 6.9 | O=C1CC2(CCCCC2)CC(O)=C1C1C2=C(CC3(CCCCC3)CC2=O)Oc2ccccc21 | 10.1021/jm8003587 | ||
| 10969955 | 110588 | 0 | None | 1 | 2 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 343 | 5 | 1 | 3 | 4.8 | CCn1c2ccccc2c2cc(NC(=O)CCc3ccncc3)ccc21 | 10.1021/jm011125x | ||
| CHEMBL325475 | 110588 | 0 | None | 1 | 2 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 343 | 5 | 1 | 3 | 4.8 | CCn1c2ccccc2c2cc(NC(=O)CCc3ccncc3)ccc21 | 10.1021/jm011125x | ||
| 44271442 | 63248 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 489 | 7 | 2 | 6 | 4.9 | CN(C[C@H]1CC[C@H](CNc2nc(N)c3ccccc3n2)CC1)S(=O)(=O)c1cccc2ccccc12 | 10.1016/s0960-894x(00)00177-3 | ||
| CHEMBL17911 | 63248 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 489 | 7 | 2 | 6 | 4.9 | CN(C[C@H]1CC[C@H](CNc2nc(N)c3ccccc3n2)CC1)S(=O)(=O)c1cccc2ccccc12 | 10.1016/s0960-894x(00)00177-3 | ||
| 24950557 | 178822 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 380 | 1 | 1 | 4 | 5.3 | Cc1ccc2c(c1)OC1=C(C(=O)CC(C)(C)C1)C2C1=C(O)CC(C)(C)CC1=O | 10.1021/jm8003587 | ||
| CHEMBL469256 | 178822 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 380 | 1 | 1 | 4 | 5.3 | Cc1ccc2c(c1)OC1=C(C(=O)CC(C)(C)C1)C2C1=C(O)CC(C)(C)CC1=O | 10.1021/jm8003587 | ||
| 9907999 | 164868 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 382 | 4 | 2 | 3 | 4.5 | CCc1cc(-c2cc(NC(=O)C3Cc4ccc5ccccc5c4C3)[nH]n2)ccn1 | 10.1021/jm025513q | ||
| CHEMBL422012 | 164868 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 382 | 4 | 2 | 3 | 4.5 | CCc1cc(-c2cc(NC(=O)C3Cc4ccc5ccccc5c4C3)[nH]n2)ccn1 | 10.1021/jm025513q | ||
| 57398333 | 71263 | 0 | None | - | 1 | Mouse | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 308 | 4 | 1 | 5 | 3.4 | CCS(=O)(=O)c1ccc2oc(NC3CCCCC3)nc2c1 | 10.1016/j.bmcl.2012.01.027 | ||
| CHEMBL1956933 | 71263 | 0 | None | - | 1 | Mouse | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 308 | 4 | 1 | 5 | 3.4 | CCS(=O)(=O)c1ccc2oc(NC3CCCCC3)nc2c1 | 10.1016/j.bmcl.2012.01.027 | ||
| 57391273 | 71241 | 0 | None | - | 1 | Mouse | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 370 | 4 | 1 | 5 | 4.4 | CCS(=O)(=O)c1ccc2oc(Nc3cccc(C(F)(F)F)c3)nc2c1 | 10.1016/j.bmcl.2012.01.027 | ||
| CHEMBL1956844 | 71241 | 0 | None | - | 1 | Mouse | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 370 | 4 | 1 | 5 | 4.4 | CCS(=O)(=O)c1ccc2oc(Nc3cccc(C(F)(F)F)c3)nc2c1 | 10.1016/j.bmcl.2012.01.027 | ||
| 2418871 | 71238 | 1 | None | - | 1 | Mouse | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 302 | 4 | 1 | 5 | 3.4 | CCS(=O)(=O)c1ccc2oc(Nc3ccccc3)nc2c1 | 10.1016/j.bmcl.2012.01.027 | ||
| CHEMBL1956841 | 71238 | 1 | None | - | 1 | Mouse | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 302 | 4 | 1 | 5 | 3.4 | CCS(=O)(=O)c1ccc2oc(Nc3ccccc3)nc2c1 | 10.1016/j.bmcl.2012.01.027 | ||
| 10046270 | 62796 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 396 | 4 | 1 | 6 | 2.3 | COn1cc(C2=N[C@@](c3ccc(F)cc3)(c3ccc(F)nc3)[C@H](C)N2)ccc1=O | 10.1016/j.bmc.2009.05.069 | ||
| CHEMBL1784131 | 62796 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 396 | 4 | 1 | 6 | 2.3 | COn1cc(C2=N[C@@](c3ccc(F)cc3)(c3ccc(F)nc3)[C@H](C)N2)ccc1=O | 10.1016/j.bmc.2009.05.069 | ||
| 57391275 | 71246 | 0 | None | - | 1 | Mouse | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 433 | 5 | 1 | 7 | 4.1 | CCS(=O)(=O)c1ccc2oc(Nc3ccc(N4C[C@H](C)O[C@H](C)C4)c(F)c3)nc2c1 | 10.1016/j.bmcl.2012.01.027 | ||
| CHEMBL1956850 | 71246 | 0 | None | - | 1 | Mouse | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 433 | 5 | 1 | 7 | 4.1 | CCS(=O)(=O)c1ccc2oc(Nc3ccc(N4C[C@H](C)O[C@H](C)C4)c(F)c3)nc2c1 | 10.1016/j.bmcl.2012.01.027 | ||
| 44271493 | 98581 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 489 | 7 | 2 | 6 | 4.6 | CN(C[C@H]1CC[C@H](CNS(=O)(=O)c2cccc3ccccc23)CC1)c1nc(N)c2ccccc2n1 | 10.1016/s0960-894x(00)00177-3 | ||
| CHEMBL276768 | 98581 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 489 | 7 | 2 | 6 | 4.6 | CN(C[C@H]1CC[C@H](CNS(=O)(=O)c2cccc3ccccc23)CC1)c1nc(N)c2ccccc2n1 | 10.1016/s0960-894x(00)00177-3 | ||
| 57401791 | 71258 | 0 | None | - | 1 | Mouse | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 361 | 7 | 2 | 6 | 3.7 | CCOc1ccc(Nc2nc3cc(NS(=O)(=O)CC)ccc3o2)cc1 | 10.1016/j.bmcl.2012.01.027 | ||
| CHEMBL1956928 | 71258 | 0 | None | - | 1 | Mouse | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 361 | 7 | 2 | 6 | 3.7 | CCOc1ccc(Nc2nc3cc(NS(=O)(=O)CC)ccc3o2)cc1 | 10.1016/j.bmcl.2012.01.027 | ||
| 42630820 | 187078 | 10 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 375 | 3 | 1 | 5 | 3.3 | C[C@@H]1NC(c2cc(C#N)ccn2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1021/jm900110t | ||
| CHEMBL491288 | 187078 | 10 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 375 | 3 | 1 | 5 | 3.3 | C[C@@H]1NC(c2cc(C#N)ccn2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1021/jm900110t | ||
| 44271549 | 61049 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 425 | 7 | 3 | 6 | 3.9 | CS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(Nc3ccccc3)c3ccccc3n2)CC1 | 10.1016/s0960-894x(00)00177-3 | ||
| CHEMBL17632 | 61049 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 425 | 7 | 3 | 6 | 3.9 | CS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(Nc3ccccc3)c3ccccc3n2)CC1 | 10.1016/s0960-894x(00)00177-3 | ||
| 57396549 | 71261 | 0 | None | - | 1 | Mouse | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 389 | 6 | 2 | 6 | 4.5 | CCOc1ccc(Nc2nc3ccc(NS(=O)(=O)C(C)(C)C)cc3o2)cc1 | 10.1016/j.bmcl.2012.01.027 | ||
| CHEMBL1956931 | 71261 | 0 | None | - | 1 | Mouse | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 389 | 6 | 2 | 6 | 4.5 | CCOc1ccc(Nc2nc3ccc(NS(=O)(=O)C(C)(C)C)cc3o2)cc1 | 10.1016/j.bmcl.2012.01.027 | ||
| 9923839 | 187040 | 1 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 336 | 3 | 1 | 4 | 3.0 | Fc1ccc(C2(c3ccc(F)cc3)CNC(c3cnccn3)=N2)cc1 | 10.1016/j.bmcl.2009.01.101 | ||
| CHEMBL490937 | 187040 | 1 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 336 | 3 | 1 | 4 | 3.0 | Fc1ccc(C2(c3ccc(F)cc3)CNC(c3cnccn3)=N2)cc1 | 10.1016/j.bmcl.2009.01.101 | ||
| 44271565 | 98131 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 461 | 6 | 3 | 6 | 4.3 | Nc1nc(N[C@H]2CC[C@H](CNS(=O)(=O)c3cccc4ccccc34)CC2)nc2ccccc12 | 10.1016/s0960-894x(00)00177-3 | ||
| CHEMBL273597 | 98131 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 461 | 6 | 3 | 6 | 4.3 | Nc1nc(N[C@H]2CC[C@H](CNS(=O)(=O)c3cccc4ccccc34)CC2)nc2ccccc12 | 10.1016/s0960-894x(00)00177-3 | ||
| 44271531 | 98850 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 489 | 8 | 3 | 6 | 5.0 | Nc1nc(NCC[C@H]2CC[C@H](CNS(=O)(=O)c3cccc4ccccc34)CC2)nc2ccccc12 | 10.1016/s0960-894x(00)00177-3 | ||
| CHEMBL278881 | 98850 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 489 | 8 | 3 | 6 | 5.0 | Nc1nc(NCC[C@H]2CC[C@H](CNS(=O)(=O)c3cccc4ccccc34)CC2)nc2ccccc12 | 10.1016/s0960-894x(00)00177-3 | ||
| 1562 | 899 | 13 | None | -1 | 7 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 475 | 7 | 3 | 6 | 4.6 | Nc1nc(NCC2CCC(CC2)CNS(=O)(=O)c2cccc3c2cccc3)nc2c1cccc2 | 10.1016/s0960-894x(00)00177-3 | ||
| 5312114 | 899 | 13 | None | -1 | 7 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 475 | 7 | 3 | 6 | 4.6 | Nc1nc(NCC2CCC(CC2)CNS(=O)(=O)c2cccc3c2cccc3)nc2c1cccc2 | 10.1016/s0960-894x(00)00177-3 | ||
| CHEMBL17645 | 899 | 13 | None | -1 | 7 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 475 | 7 | 3 | 6 | 4.6 | Nc1nc(NCC2CCC(CC2)CNS(=O)(=O)c2cccc3c2cccc3)nc2c1cccc2 | 10.1016/s0960-894x(00)00177-3 | ||
| CHEMBL195380 | 899 | 13 | None | -1 | 7 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 475 | 7 | 3 | 6 | 4.6 | Nc1nc(NCC2CCC(CC2)CNS(=O)(=O)c2cccc3c2cccc3)nc2c1cccc2 | 10.1016/s0960-894x(00)00177-3 | ||
| 2350190 | 51857 | 6 | None | - | 1 | Mouse | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 423 | 5 | 1 | 5 | 3.5 | O=S(=O)(c1ccc2[nH]c(SCc3cccc(Cl)c3)nc2c1)N1CCOCC1 | 10.1016/j.bmcl.2012.01.027 | ||
| CHEMBL1585484 | 51857 | 6 | None | - | 1 | Mouse | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 423 | 5 | 1 | 5 | 3.5 | O=S(=O)(c1ccc2[nH]c(SCc3cccc(Cl)c3)nc2c1)N1CCOCC1 | 10.1016/j.bmcl.2012.01.027 | ||
| 44271517 | 59036 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 394 | 5 | 2 | 4 | 7.2 | c1ccc(Nc2nc(Nc3ccc(C4CCCCC4)cc3)nc3ccccc23)cc1 | 10.1016/s0960-894x(00)00177-3 | ||
| CHEMBL16936 | 59036 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 394 | 5 | 2 | 4 | 7.2 | c1ccc(Nc2nc(Nc3ccc(C4CCCCC4)cc3)nc3ccccc23)cc1 | 10.1016/s0960-894x(00)00177-3 | ||
| 44271450 | 167134 | 1 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 326 | 4 | 2 | 4 | 5.4 | Cc1ccc(Nc2nc(Nc3ccccc3)c3ccccc3n2)cc1 | 10.1016/s0960-894x(00)00177-3 | ||
| CHEMBL429053 | 167134 | 1 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 326 | 4 | 2 | 4 | 5.4 | Cc1ccc(Nc2nc(Nc3ccccc3)c3ccccc3n2)cc1 | 10.1016/s0960-894x(00)00177-3 | ||
| 57391274 | 71244 | 0 | None | - | 1 | Mouse | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 387 | 5 | 1 | 7 | 3.2 | CCS(=O)(=O)c1ccc2oc(Nc3ccc(N4CCOCC4)cc3)nc2c1 | 10.1016/j.bmcl.2012.01.027 | ||
| CHEMBL1956848 | 71244 | 0 | None | - | 1 | Mouse | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 387 | 5 | 1 | 7 | 3.2 | CCS(=O)(=O)c1ccc2oc(Nc3ccc(N4CCOCC4)cc3)nc2c1 | 10.1016/j.bmcl.2012.01.027 | ||
| 57401790 | 71255 | 0 | None | - | 1 | Mouse | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 332 | 5 | 1 | 6 | 3.4 | CCOc1ccc(Nc2nc3cc(S(C)(=O)=O)ccc3o2)cc1 | 10.1016/j.bmcl.2012.01.027 | ||
| CHEMBL1956925 | 71255 | 0 | None | - | 1 | Mouse | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 332 | 5 | 1 | 6 | 3.4 | CCOc1ccc(Nc2nc3cc(S(C)(=O)=O)ccc3o2)cc1 | 10.1016/j.bmcl.2012.01.027 | ||
| 44271541 | 60290 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 499 | 7 | 2 | 5 | 6.8 | CN(C[C@H]1CC[C@H](Nc2nc(Nc3ccc(Cl)cc3)c3ccccc3n2)CC1)C(=O)c1ccccc1 | 10.1016/s0960-894x(00)00177-3 | ||
| CHEMBL17427 | 60290 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 499 | 7 | 2 | 5 | 6.8 | CN(C[C@H]1CC[C@H](Nc2nc(Nc3ccc(Cl)cc3)c3ccccc3n2)CC1)C(=O)c1ccccc1 | 10.1016/s0960-894x(00)00177-3 | ||
| 44271532 | 59743 | 1 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 380 | 4 | 2 | 4 | 6.4 | Clc1ccc(Nc2nc(Nc3ccccc3)c3ccccc3n2)cc1Cl | 10.1016/s0960-894x(00)00177-3 | ||
| CHEMBL17247 | 59743 | 1 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 380 | 4 | 2 | 4 | 6.4 | Clc1ccc(Nc2nc(Nc3ccccc3)c3ccccc3n2)cc1Cl | 10.1016/s0960-894x(00)00177-3 | ||
| 9955360 | 98554 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 449 | 10 | 3 | 6 | 4.3 | Nc1nc(NCCCCCCNS(=O)(=O)c2cccc3ccccc23)nc2ccccc12 | 10.1016/s0960-894x(00)00177-3 | ||
| CHEMBL276551 | 98554 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 449 | 10 | 3 | 6 | 4.3 | Nc1nc(NCCCCCCNS(=O)(=O)c2cccc3ccccc23)nc2ccccc12 | 10.1016/s0960-894x(00)00177-3 | ||
| 9907999 | 164868 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 382 | 4 | 2 | 3 | 4.5 | CCc1cc(-c2cc(NC(=O)C3Cc4ccc5ccccc5c4C3)[nH]n2)ccn1 | 10.1021/jm025513q | ||
| CHEMBL422012 | 164868 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 382 | 4 | 2 | 3 | 4.5 | CCc1cc(-c2cc(NC(=O)C3Cc4ccc5ccccc5c4C3)[nH]n2)ccn1 | 10.1021/jm025513q | ||
| 44271484 | 98823 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 469 | 7 | 3 | 6 | 4.5 | Nc1nc(NCc2ccc(CNS(=O)(=O)c3cccc4ccccc34)cc2)nc2ccccc12 | 10.1016/s0960-894x(00)00177-3 | ||
| CHEMBL278677 | 98823 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 469 | 7 | 3 | 6 | 4.5 | Nc1nc(NCc2ccc(CNS(=O)(=O)c3cccc4ccccc34)cc2)nc2ccccc12 | 10.1016/s0960-894x(00)00177-3 | ||
| 22254020 | 65969 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 491 | 6 | 2 | 7 | 5.5 | O=S(=O)(NC[C@H]1CC[C@H](Nc2nc3c(s2)CCSc2ccccc2-3)CC1)c1cccs1 | 10.1016/j.bmcl.2011.06.124 | ||
| CHEMBL1836316 | 65969 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 491 | 6 | 2 | 7 | 5.5 | O=S(=O)(NC[C@H]1CC[C@H](Nc2nc3c(s2)CCSc2ccccc2-3)CC1)c1cccs1 | 10.1016/j.bmcl.2011.06.124 | ||
| 20651572 | 65985 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 407 | 5 | 2 | 6 | 3.3 | CS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc3c(s2)CCOc2ccccc2-3)CC1 | 10.1016/j.bmcl.2011.06.124 | ||
| CHEMBL1836332 | 65985 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 407 | 5 | 2 | 6 | 3.3 | CS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc3c(s2)CCOc2ccccc2-3)CC1 | 10.1016/j.bmcl.2011.06.124 | ||
| 22254050 | 65971 | 1 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 437 | 6 | 2 | 6 | 4.4 | CCS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc3c(s2)CCSc2ccccc2-3)CC1 | 10.1016/j.bmcl.2011.06.124 | ||
| CHEMBL1836318 | 65971 | 1 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 437 | 6 | 2 | 6 | 4.4 | CCS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc3c(s2)CCSc2ccccc2-3)CC1 | 10.1016/j.bmcl.2011.06.124 | ||
| 25346026 | 71242 | 3 | None | - | 1 | Mouse | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 386 | 5 | 1 | 6 | 4.3 | CCS(=O)(=O)c1ccc2oc(Nc3ccc(OC(F)(F)F)cc3)nc2c1 | 10.1016/j.bmcl.2012.01.027 | ||
| CHEMBL1956846 | 71242 | 3 | None | - | 1 | Mouse | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 386 | 5 | 1 | 6 | 4.3 | CCS(=O)(=O)c1ccc2oc(Nc3ccc(OC(F)(F)F)cc3)nc2c1 | 10.1016/j.bmcl.2012.01.027 | ||
| 57399997 | 71254 | 0 | None | - | 1 | Mouse | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 416 | 5 | 1 | 8 | 3.4 | CCS(=O)(=O)c1ccc2oc(Nc3ccc(N4C[C@H](C)O[C@H](C)C4)nc3)nc2c1 | 10.1016/j.bmcl.2012.01.027 | ||
| CHEMBL1956923 | 71254 | 0 | None | - | 1 | Mouse | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 416 | 5 | 1 | 8 | 3.4 | CCS(=O)(=O)c1ccc2oc(Nc3ccc(N4C[C@H](C)O[C@H](C)C4)nc3)nc2c1 | 10.1016/j.bmcl.2012.01.027 | ||
| 44271468 | 98891 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 485 | 7 | 3 | 5 | 6.4 | O=C(NC[C@H]1CC[C@H](Nc2nc(Nc3ccc(Cl)cc3)c3ccccc3n2)CC1)c1ccccc1 | 10.1016/s0960-894x(00)00177-3 | ||
| CHEMBL279181 | 98891 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 485 | 7 | 3 | 5 | 6.4 | O=C(NC[C@H]1CC[C@H](Nc2nc(Nc3ccc(Cl)cc3)c3ccccc3n2)CC1)c1ccccc1 | 10.1016/s0960-894x(00)00177-3 | ||
| 57403501 | 71239 | 0 | None | - | 1 | Mouse | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 336 | 4 | 1 | 5 | 4.0 | CCS(=O)(=O)c1ccc2oc(Nc3ccc(Cl)cc3)nc2c1 | 10.1016/j.bmcl.2012.01.027 | ||
| CHEMBL1956842 | 71239 | 0 | None | - | 1 | Mouse | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 336 | 4 | 1 | 5 | 4.0 | CCS(=O)(=O)c1ccc2oc(Nc3ccc(Cl)cc3)nc2c1 | 10.1016/j.bmcl.2012.01.027 | ||
| 44271506 | 60014 | 1 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 342 | 5 | 2 | 5 | 5.1 | COc1ccc(Nc2nc(Nc3ccccc3)c3ccccc3n2)cc1 | 10.1016/s0960-894x(00)00177-3 | ||
| CHEMBL17352 | 60014 | 1 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 342 | 5 | 2 | 5 | 5.1 | COc1ccc(Nc2nc(Nc3ccccc3)c3ccccc3n2)cc1 | 10.1016/s0960-894x(00)00177-3 | ||
| 44271550 | 61370 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 462 | 10 | 2 | 7 | 6.9 | CCOP(=O)(Cc1ccc(Nc2nc(Nc3ccccc3)c3ccccc3n2)cc1)OCC | 10.1016/s0960-894x(00)00177-3 | ||
| CHEMBL17686 | 61370 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 462 | 10 | 2 | 7 | 6.9 | CCOP(=O)(Cc1ccc(Nc2nc(Nc3ccccc3)c3ccccc3n2)cc1)OCC | 10.1016/s0960-894x(00)00177-3 | ||
| 1202745 | 189002 | 2 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 366 | 1 | 1 | 4 | 5.0 | CC1(C)CC(=O)C([C@H]2C3=C(CC(C)(C)CC3=O)Oc3ccccc32)=C(O)C1 | 10.1021/jm8003587 | ||
| CHEMBL508770 | 189002 | 2 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 366 | 1 | 1 | 4 | 5.0 | CC1(C)CC(=O)C([C@H]2C3=C(CC(C)(C)CC3=O)Oc3ccccc32)=C(O)C1 | 10.1021/jm8003587 | ||
| 22254131 | 65952 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 529 | 7 | 2 | 7 | 5.7 | COc1ccc(C)cc1S(=O)(=O)NC[C@H]1CC[C@H](Nc2nc3c(s2)CCSc2ccccc2-3)CC1 | 10.1016/j.bmcl.2011.06.124 | ||
| CHEMBL1836103 | 65952 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 529 | 7 | 2 | 7 | 5.7 | COc1ccc(C)cc1S(=O)(=O)NC[C@H]1CC[C@H](Nc2nc3c(s2)CCSc2ccccc2-3)CC1 | 10.1016/j.bmcl.2011.06.124 | ||
| 57403512 | 71260 | 0 | None | - | 1 | Mouse | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 361 | 7 | 2 | 6 | 3.7 | CCOc1ccc(Nc2nc3ccc(NS(=O)(=O)CC)cc3o2)cc1 | 10.1016/j.bmcl.2012.01.027 | ||
| CHEMBL1956930 | 71260 | 0 | None | - | 1 | Mouse | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 361 | 7 | 2 | 6 | 3.7 | CCOc1ccc(Nc2nc3ccc(NS(=O)(=O)CC)cc3o2)cc1 | 10.1016/j.bmcl.2012.01.027 | ||
| 9884833 | 110552 | 41 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 351 | 2 | 1 | 3 | 4.5 | Cc1c(NC(=O)N2CCOCC2)ccc2c1c1ccccc1n2C(C)C | 10.1021/jm011125x | ||
| CHEMBL325226 | 110552 | 41 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 351 | 2 | 1 | 3 | 4.5 | Cc1c(NC(=O)N2CCOCC2)ccc2c1c1ccccc1n2C(C)C | 10.1021/jm011125x | ||
| 44271486 | 163224 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 475 | 7 | 3 | 6 | 4.6 | Nc1nc(NCC2CCCC(CNS(=O)(=O)c3cccc4ccccc34)C2)nc2ccccc12 | 10.1016/s0960-894x(00)00177-3 | ||
| CHEMBL418359 | 163224 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 475 | 7 | 3 | 6 | 4.6 | Nc1nc(NCC2CCCC(CNS(=O)(=O)c3cccc4ccccc34)C2)nc2ccccc12 | 10.1016/s0960-894x(00)00177-3 | ||
| 44271529 | 59090 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 469 | 7 | 3 | 6 | 4.5 | Nc1nc(NCc2cccc(CNS(=O)(=O)c3cccc4ccccc34)c2)nc2ccccc12 | 10.1016/s0960-894x(00)00177-3 | ||
| CHEMBL16965 | 59090 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 469 | 7 | 3 | 6 | 4.5 | Nc1nc(NCc2cccc(CNS(=O)(=O)c3cccc4ccccc34)c2)nc2ccccc12 | 10.1016/s0960-894x(00)00177-3 | ||
| 44271525 | 60185 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 423 | 6 | 3 | 5 | 5.1 | CC(=O)NC[C@H]1CC[C@H](Nc2nc(Nc3ccc(Cl)cc3)c3ccccc3n2)CC1 | 10.1016/s0960-894x(00)00177-3 | ||
| CHEMBL17398 | 60185 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 423 | 6 | 3 | 5 | 5.1 | CC(=O)NC[C@H]1CC[C@H](Nc2nc(Nc3ccc(Cl)cc3)c3ccccc3n2)CC1 | 10.1016/s0960-894x(00)00177-3 | ||
| 44271478 | 60438 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 501 | 8 | 3 | 6 | 5.6 | Cc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](Nc3nc(Nc4ccccc4)c4ccccc4n3)CC2)cc1 | 10.1016/s0960-894x(00)00177-3 | ||
| CHEMBL17521 | 60438 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 501 | 8 | 3 | 6 | 5.6 | Cc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](Nc3nc(Nc4ccccc4)c4ccccc4n3)CC2)cc1 | 10.1016/s0960-894x(00)00177-3 | ||
| 44271487 | 98922 | 3 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 383 | 7 | 2 | 5 | 6.0 | CCN(CC)c1ccc(Nc2nc(Nc3ccccc3)c3ccccc3n2)cc1 | 10.1016/s0960-894x(00)00177-3 | ||
| CHEMBL279408 | 98922 | 3 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 383 | 7 | 2 | 5 | 6.0 | CCN(CC)c1ccc(Nc2nc(Nc3ccccc3)c3ccccc3n2)cc1 | 10.1016/s0960-894x(00)00177-3 | ||
| 44271638 | 60402 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 438 | 6 | 2 | 6 | 6.0 | O=C(O[C@H]1CC[C@H](Nc2nc(Nc3ccccc3)c3ccccc3n2)CC1)c1ccccc1 | 10.1016/s0960-894x(00)00177-3 | ||
| CHEMBL17496 | 60402 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 438 | 6 | 2 | 6 | 6.0 | O=C(O[C@H]1CC[C@H](Nc2nc(Nc3ccccc3)c3ccccc3n2)CC1)c1ccccc1 | 10.1016/s0960-894x(00)00177-3 | ||
| 22254119 | 65967 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 535 | 6 | 2 | 6 | 6.6 | O=S(=O)(NC[C@H]1CC[C@H](Nc2nc3c(s2)CCSc2ccccc2-3)CC1)c1cccc2ccccc12 | 10.1016/j.bmcl.2011.06.124 | ||
| CHEMBL1836314 | 65967 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 535 | 6 | 2 | 6 | 6.6 | O=S(=O)(NC[C@H]1CC[C@H](Nc2nc3c(s2)CCSc2ccccc2-3)CC1)c1cccc2ccccc12 | 10.1016/j.bmcl.2011.06.124 | ||
| 44271637 | 59611 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 463 | 11 | 3 | 6 | 4.7 | Nc1nc(NCCCCCCCNS(=O)(=O)c2cccc3ccccc23)nc2ccccc12 | 10.1016/s0960-894x(00)00177-3 | ||
| CHEMBL17196 | 59611 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 463 | 11 | 3 | 6 | 4.7 | Nc1nc(NCCCCCCCNS(=O)(=O)c2cccc3ccccc23)nc2ccccc12 | 10.1016/s0960-894x(00)00177-3 | ||
| 9886706 | 178642 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 390 | 1 | 1 | 4 | 5.3 | O=C1CC2(CCC2)CC(O)=C1C1C2=C(CC3(CCC3)CC2=O)Oc2ccccc21 | 10.1021/jm8003587 | ||
| CHEMBL467558 | 178642 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 390 | 1 | 1 | 4 | 5.3 | O=C1CC2(CCC2)CC(O)=C1C1C2=C(CC3(CCC3)CC2=O)Oc2ccccc21 | 10.1021/jm8003587 | ||
| 44271592 | 61389 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 477 | 12 | 3 | 6 | 5.1 | Nc1nc(NCCCCCCCCNS(=O)(=O)c2cccc3ccccc23)nc2ccccc12 | 10.1016/s0960-894x(00)00177-3 | ||
| CHEMBL17701 | 61389 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 477 | 12 | 3 | 6 | 5.1 | Nc1nc(NCCCCCCCCNS(=O)(=O)c2cccc3ccccc23)nc2ccccc12 | 10.1016/s0960-894x(00)00177-3 | ||
| 57394791 | 71259 | 0 | None | - | 1 | Mouse | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 346 | 6 | 1 | 6 | 3.8 | CCOc1ccc(Nc2nc3ccc(S(=O)(=O)CC)cc3o2)cc1 | 10.1016/j.bmcl.2012.01.027 | ||
| CHEMBL1956929 | 71259 | 0 | None | - | 1 | Mouse | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 346 | 6 | 1 | 6 | 3.8 | CCOc1ccc(Nc2nc3ccc(S(=O)(=O)CC)cc3o2)cc1 | 10.1016/j.bmcl.2012.01.027 | ||
| 44271562 | 98690 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 447 | 5 | 3 | 6 | 4.1 | Nc1nc(N[C@H]2CCCC[C@H]2NS(=O)(=O)c2cccc3ccccc23)nc2ccccc12 | 10.1016/s0960-894x(00)00177-3 | ||
| CHEMBL277551 | 98690 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 447 | 5 | 3 | 6 | 4.1 | Nc1nc(N[C@H]2CCCC[C@H]2NS(=O)(=O)c2cccc3ccccc23)nc2ccccc12 | 10.1016/s0960-894x(00)00177-3 | ||
| 56683832 | 65976 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 397 | 8 | 2 | 6 | 3.6 | CS(=O)(=O)NCCCCCNc1nc2c(s1)CCSc1ccccc1-2 | 10.1016/j.bmcl.2011.06.124 | ||
| CHEMBL1836323 | 65976 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 397 | 8 | 2 | 6 | 3.6 | CS(=O)(=O)NCCCCCNc1nc2c(s1)CCSc1ccccc1-2 | 10.1016/j.bmcl.2011.06.124 | ||
| 25067562 | 186971 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 400 | 2 | 1 | 6 | 4.6 | Cc1nnc(-c2ccc3[nH]c([C@H]4CC[C@@]5(CC4)OC(=O)c4ccccc45)nc3c2)o1 | 10.1016/j.bmcl.2008.08.021 | ||
| CHEMBL490427 | 186971 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 400 | 2 | 1 | 6 | 4.6 | Cc1nnc(-c2ccc3[nH]c([C@H]4CC[C@@]5(CC4)OC(=O)c4ccccc45)nc3c2)o1 | 10.1016/j.bmcl.2008.08.021 | ||
| 44271691 | 63259 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 318 | 4 | 2 | 4 | 5.1 | c1ccc(Nc2nc(NC3CCCCC3)nc3ccccc23)cc1 | 10.1016/s0960-894x(00)00177-3 | ||
| CHEMBL17914 | 63259 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 318 | 4 | 2 | 4 | 5.1 | c1ccc(Nc2nc(NC3CCCCC3)nc3ccccc23)cc1 | 10.1016/s0960-894x(00)00177-3 | ||
| 2387945 | 43719 | 6 | None | - | 1 | Mouse | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 346 | 6 | 1 | 6 | 3.8 | CCOc1ccc(Nc2nc3cc(S(=O)(=O)CC)ccc3o2)cc1 | 10.1016/j.bmcl.2012.01.027 | ||
| CHEMBL1510429 | 43719 | 6 | None | - | 1 | Mouse | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 346 | 6 | 1 | 6 | 3.8 | CCOc1ccc(Nc2nc3cc(S(=O)(=O)CC)ccc3o2)cc1 | 10.1016/j.bmcl.2012.01.027 | ||
| 44271482 | 60269 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 461 | 6 | 2 | 6 | 4.3 | Nc1nc(NCCC2CCN(S(=O)(=O)c3cccc4ccccc34)CC2)nc2ccccc12 | 10.1016/s0960-894x(00)00177-3 | ||
| CHEMBL17417 | 60269 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 461 | 6 | 2 | 6 | 4.3 | Nc1nc(NCCC2CCN(S(=O)(=O)c3cccc4ccccc34)CC2)nc2ccccc12 | 10.1016/s0960-894x(00)00177-3 | ||
| 44271467 | 60350 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 395 | 6 | 3 | 5 | 5.2 | CNC[C@H]1CC[C@H](Nc2nc(Nc3ccc(Cl)cc3)c3ccccc3n2)CC1 | 10.1016/s0960-894x(00)00177-3 | ||
| CHEMBL17454 | 60350 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 395 | 6 | 3 | 5 | 5.2 | CNC[C@H]1CC[C@H](Nc2nc(Nc3ccc(Cl)cc3)c3ccccc3n2)CC1 | 10.1016/s0960-894x(00)00177-3 | ||
| 57403513 | 71262 | 0 | None | - | 1 | Mouse | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 458 | 5 | 2 | 7 | 4.7 | C[C@H]1CN(c2ccc(Nc3nc4ccc(NS(=O)(=O)C(C)(C)C)cc4o3)cc2)C[C@@H](C)O1 | 10.1016/j.bmcl.2012.01.027 | ||
| CHEMBL1956932 | 71262 | 0 | None | - | 1 | Mouse | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 458 | 5 | 2 | 7 | 4.7 | C[C@H]1CN(c2ccc(Nc3nc4ccc(NS(=O)(=O)C(C)(C)C)cc4o3)cc2)C[C@@H](C)O1 | 10.1016/j.bmcl.2012.01.027 | ||
| 24950710 | 178815 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 418 | 1 | 1 | 4 | 6.1 | O=C1CC2(CCCC2)CC(O)=C1C1C2=C(CC3(CCCC3)CC2=O)Oc2ccccc21 | 10.1021/jm8003587 | ||
| CHEMBL469173 | 178815 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 418 | 1 | 1 | 4 | 6.1 | O=C1CC2(CCCC2)CC(O)=C1C1C2=C(CC3(CCCC3)CC2=O)Oc2ccccc21 | 10.1021/jm8003587 | ||
| 44271533 | 60121 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 437 | 6 | 2 | 5 | 5.5 | CC(=O)N(C)C[C@H]1CC[C@H](Nc2nc(Nc3ccc(Cl)cc3)c3ccccc3n2)CC1 | 10.1016/s0960-894x(00)00177-3 | ||
| CHEMBL17395 | 60121 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 437 | 6 | 2 | 5 | 5.5 | CC(=O)N(C)C[C@H]1CC[C@H](Nc2nc(Nc3ccc(Cl)cc3)c3ccccc3n2)CC1 | 10.1016/s0960-894x(00)00177-3 | ||
| 22639804 | 98551 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 376 | 5 | 2 | 6 | 4.7 | CC(=O)O[C@H]1CC[C@H](Nc2nc(Nc3ccccc3)c3ccccc3n2)CC1 | 10.1016/s0960-894x(00)00177-3 | ||
| CHEMBL276530 | 98551 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 376 | 5 | 2 | 6 | 4.7 | CC(=O)O[C@H]1CC[C@H](Nc2nc(Nc3ccccc3)c3ccccc3n2)CC1 | 10.1016/s0960-894x(00)00177-3 | ||
| 9884833 | 110552 | 41 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 351 | 2 | 1 | 3 | 4.5 | Cc1c(NC(=O)N2CCOCC2)ccc2c1c1ccccc1n2C(C)C | 10.1021/jm011125x | ||
| CHEMBL325226 | 110552 | 41 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 351 | 2 | 1 | 3 | 4.5 | Cc1c(NC(=O)N2CCOCC2)ccc2c1c1ccccc1n2C(C)C | 10.1021/jm011125x | ||
| 9887225 | 187148 | 3 | None | -2 | 3 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 400 | 2 | 1 | 5 | 3.8 | O=C1OC2(CCN(C(=O)Nc3cnc(-c4ccccc4)cn3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | ||
| CHEMBL491930 | 187148 | 3 | None | -2 | 3 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 400 | 2 | 1 | 5 | 3.8 | O=C1OC2(CCN(C(=O)Nc3cnc(-c4ccccc4)cn3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | ||
| 1565 | 2207 | 15 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 366 | 1 | 1 | 4 | 5.0 | OC1=C(C(=O)CC(C1)(C)C)C1C2=C(Oc3c1cccc3)CC(CC2=O)(C)C | 10.1021/jm8003587 | ||
| 624746 | 2207 | 15 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 366 | 1 | 1 | 4 | 5.0 | OC1=C(C(=O)CC(C1)(C)C)C1C2=C(Oc3c1cccc3)CC(CC2=O)(C)C | 10.1021/jm8003587 | ||
| CHEMBL491762 | 2207 | 15 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 366 | 1 | 1 | 4 | 5.0 | OC1=C(C(=O)CC(C1)(C)C)C1C2=C(Oc3c1cccc3)CC(CC2=O)(C)C | 10.1021/jm8003587 | ||
| 24950556 | 189471 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 384 | 1 | 1 | 4 | 5.1 | CC1(C)CC(=O)C(C2C3=C(CC(C)(C)CC3=O)Oc3cc(F)ccc32)=C(O)C1 | 10.1021/jm8003587 | ||
| CHEMBL513701 | 189471 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 384 | 1 | 1 | 4 | 5.1 | CC1(C)CC(=O)C(C2C3=C(CC(C)(C)CC3=O)Oc3cc(F)ccc32)=C(O)C1 | 10.1021/jm8003587 | ||
| 10110741 | 188000 | 3 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 387 | 1 | 1 | 4 | 4.2 | O=C1OC2(CCN(c3nc4cc(C(F)(F)F)ccc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.018 | ||
| CHEMBL497359 | 188000 | 3 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 387 | 1 | 1 | 4 | 4.2 | O=C1OC2(CCN(c3nc4cc(C(F)(F)F)ccc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.018 | ||
| 57403511 | 71257 | 0 | None | - | 1 | Mouse | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 374 | 5 | 1 | 6 | 4.5 | CCOc1ccc(Nc2nc3cc(S(=O)(=O)C(C)(C)C)ccc3o2)cc1 | 10.1016/j.bmcl.2012.01.027 | ||
| CHEMBL1956927 | 71257 | 0 | None | - | 1 | Mouse | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 374 | 5 | 1 | 6 | 4.5 | CCOc1ccc(Nc2nc3cc(S(=O)(=O)C(C)(C)C)ccc3o2)cc1 | 10.1016/j.bmcl.2012.01.027 | ||
| 57393069 | 71268 | 0 | None | - | 1 | Mouse | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 388 | 5 | 1 | 8 | 2.6 | CCS(=O)(=O)c1ccc2oc(Nc3ccc(N4CCOCC4)nc3)nc2c1 | 10.1016/j.bmcl.2012.01.027 | ||
| CHEMBL1956939 | 71268 | 0 | None | - | 1 | Mouse | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 388 | 5 | 1 | 8 | 2.6 | CCS(=O)(=O)c1ccc2oc(Nc3ccc(N4CCOCC4)nc3)nc2c1 | 10.1016/j.bmcl.2012.01.027 | ||
| 44579887 | 193093 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 400 | 2 | 1 | 6 | 4.6 | Cc1nc(-c2ccc3[nH]c([C@H]4CC[C@@]5(CC4)OC(=O)c4ccccc45)nc3c2)no1 | 10.1016/j.bmcl.2008.08.021 | ||
| CHEMBL522589 | 193093 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 400 | 2 | 1 | 6 | 4.6 | Cc1nc(-c2ccc3[nH]c([C@H]4CC[C@@]5(CC4)OC(=O)c4ccccc45)nc3c2)no1 | 10.1016/j.bmcl.2008.08.021 | ||
| 25211875 | 192649 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 400 | 2 | 1 | 7 | 3.5 | Cn1nnc(-c2ccc3[nH]c([C@H]4CC[C@@]5(CC4)OC(=O)c4ccccc45)nc3c2)n1 | 10.1016/j.bmcl.2008.08.021 | ||
| CHEMBL521750 | 192649 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 400 | 2 | 1 | 7 | 3.5 | Cn1nnc(-c2ccc3[nH]c([C@H]4CC[C@@]5(CC4)OC(=O)c4ccccc45)nc3c2)n1 | 10.1016/j.bmcl.2008.08.021 | ||
| 57328464 | 71245 | 0 | None | - | 1 | Mouse | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 415 | 5 | 1 | 7 | 4.0 | CCS(=O)(=O)c1ccc2oc(Nc3ccc(N4C[C@H](C)O[C@H](C)C4)cc3)nc2c1 | 10.1016/j.bmcl.2012.01.027 | ||
| CHEMBL1956849 | 71245 | 0 | None | - | 1 | Mouse | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 415 | 5 | 1 | 7 | 4.0 | CCS(=O)(=O)c1ccc2oc(Nc3ccc(N4C[C@H](C)O[C@H](C)C4)cc3)nc2c1 | 10.1016/j.bmcl.2012.01.027 | ||
| 44271437 | 98465 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 503 | 7 | 1 | 6 | 4.9 | CN(C[C@H]1CC[C@H](CN(C)S(=O)(=O)c2cccc3ccccc23)CC1)c1nc(N)c2ccccc2n1 | 10.1016/s0960-894x(00)00177-3 | ||
| CHEMBL275845 | 98465 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 503 | 7 | 1 | 6 | 4.9 | CN(C[C@H]1CC[C@H](CN(C)S(=O)(=O)c2cccc3ccccc23)CC1)c1nc(N)c2ccccc2n1 | 10.1016/s0960-894x(00)00177-3 | ||
| 57396550 | 71264 | 0 | None | - | 1 | Mouse | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 364 | 4 | 1 | 5 | 4.6 | CCS(=O)(=O)c1ccc2oc(NC3CCC(C(C)(C)C)CC3)nc2c1 | 10.1016/j.bmcl.2012.01.027 | ||
| CHEMBL1956934 | 71264 | 0 | None | - | 1 | Mouse | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 364 | 4 | 1 | 5 | 4.6 | CCS(=O)(=O)c1ccc2oc(NC3CCC(C(C)(C)C)CC3)nc2c1 | 10.1016/j.bmcl.2012.01.027 | ||
| 2418891 | 51012 | 5 | None | - | 1 | Mouse | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 358 | 4 | 1 | 5 | 4.7 | CCS(=O)(=O)c1ccc2oc(Nc3ccc(C(C)(C)C)cc3)nc2c1 | 10.1016/j.bmcl.2012.01.027 | ||
| CHEMBL1578465 | 51012 | 5 | None | - | 1 | Mouse | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 358 | 4 | 1 | 5 | 4.7 | CCS(=O)(=O)c1ccc2oc(Nc3ccc(C(C)(C)C)cc3)nc2c1 | 10.1016/j.bmcl.2012.01.027 | ||
| 24950714 | 178699 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 384 | 1 | 1 | 4 | 5.1 | CC1(C)CC(=O)C(C2C3=C(CC(C)(C)CC3=O)Oc3c(F)cccc32)=C(O)C1 | 10.1021/jm8003587 | ||
| CHEMBL468225 | 178699 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 384 | 1 | 1 | 4 | 5.1 | CC1(C)CC(=O)C(C2C3=C(CC(C)(C)CC3=O)Oc3c(F)cccc32)=C(O)C1 | 10.1021/jm8003587 | ||
| 57398334 | 71266 | 0 | None | - | 1 | Mouse | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 371 | 4 | 1 | 6 | 3.8 | CCS(=O)(=O)c1ccc2oc(Nc3ccc(C(F)(F)F)nc3)nc2c1 | 10.1016/j.bmcl.2012.01.027 | ||
| CHEMBL1956937 | 71266 | 0 | None | - | 1 | Mouse | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 371 | 4 | 1 | 6 | 3.8 | CCS(=O)(=O)c1ccc2oc(Nc3ccc(C(F)(F)F)nc3)nc2c1 | 10.1016/j.bmcl.2012.01.027 | ||
| 10047509 | 62795 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 416 | 4 | 1 | 5 | 3.6 | C[C@@H]1NC(c2ccc(=O)n(C(F)F)c2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1016/j.bmc.2009.05.069 | ||
| CHEMBL1784130 | 62795 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 416 | 4 | 1 | 5 | 3.6 | C[C@@H]1NC(c2ccc(=O)n(C(F)F)c2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1016/j.bmc.2009.05.069 | ||
| 9801629 | 65978 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 409 | 4 | 2 | 5 | 3.7 | CS(=O)(=O)N[C@H]1CC[C@H](Nc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2011.06.124 | ||
| CHEMBL1836325 | 65978 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 409 | 4 | 2 | 5 | 3.7 | CS(=O)(=O)N[C@H]1CC[C@H](Nc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2011.06.124 | ||
| 213847 | 60384 | 7 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 312 | 4 | 2 | 4 | 5.1 | c1ccc(Nc2nc(Nc3ccccc3)c3ccccc3n2)cc1 | 10.1016/s0960-894x(00)00177-3 | ||
| CHEMBL17483 | 60384 | 7 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 312 | 4 | 2 | 4 | 5.1 | c1ccc(Nc2nc(Nc3ccccc3)c3ccccc3n2)cc1 | 10.1016/s0960-894x(00)00177-3 | ||
| 9803547 | 178640 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 444 | 1 | 1 | 4 | 5.8 | CC1(C)CC(=O)C(C2C3=C(CC(C)(C)CC3=O)Oc3cc(Br)ccc32)=C(O)C1 | 10.1021/jm8003587 | ||
| CHEMBL467550 | 178640 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 444 | 1 | 1 | 4 | 5.8 | CC1(C)CC(=O)C(C2C3=C(CC(C)(C)CC3=O)Oc3cc(Br)ccc32)=C(O)C1 | 10.1021/jm8003587 | ||
| 24950712 | 189367 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 400 | 1 | 1 | 4 | 5.7 | CC1(C)CC(=O)C(C2C3=C(CC(C)(C)CC3=O)Oc3cc(Cl)ccc32)=C(O)C1 | 10.1021/jm8003587 | ||
| CHEMBL512787 | 189367 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 400 | 1 | 1 | 4 | 5.7 | CC1(C)CC(=O)C(C2C3=C(CC(C)(C)CC3=O)Oc3cc(Cl)ccc32)=C(O)C1 | 10.1021/jm8003587 | ||
| 57393058 | 71243 | 0 | None | - | 1 | Mouse | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 360 | 6 | 1 | 6 | 4.2 | CCS(=O)(=O)c1ccc2oc(Nc3ccc(OC(C)C)cc3)nc2c1 | 10.1016/j.bmcl.2012.01.027 | ||
| CHEMBL1956847 | 71243 | 0 | None | - | 1 | Mouse | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 360 | 6 | 1 | 6 | 4.2 | CCS(=O)(=O)c1ccc2oc(Nc3ccc(OC(C)C)cc3)nc2c1 | 10.1016/j.bmcl.2012.01.027 | ||
| 9847327 | 65974 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8 | Functional | ChEMBL | 465 | 9 | 2 | 5 | 4.5 | O=S(=O)(CC(F)(F)F)NCCCCCNc1nc2c(s1)CCCc1ccc(F)cc1-2 | 10.1016/j.bmcl.2011.06.124 | ||
| CHEMBL1836321 | 65974 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8 | Functional | ChEMBL | 465 | 9 | 2 | 5 | 4.5 | O=S(=O)(CC(F)(F)F)NCCCCCNc1nc2c(s1)CCCc1ccc(F)cc1-2 | 10.1016/j.bmcl.2011.06.124 | ||
| 44577739 | 189391 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 422 | 5 | 1 | 4 | 6.6 | CCC1(CC)CC(=O)C(C2C3=C(CC(CC)(CC)CC3=O)Oc3ccccc32)=C(O)C1 | 10.1021/jm8003587 | ||
| CHEMBL512996 | 189391 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 422 | 5 | 1 | 4 | 6.6 | CCC1(CC)CC(=O)C(C2C3=C(CC(CC)(CC)CC3=O)Oc3ccccc32)=C(O)C1 | 10.1021/jm8003587 | ||
| 20651605 | 65973 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 425 | 9 | 2 | 5 | 4.3 | CC(C)S(=O)(=O)NCCCCCNc1nc2c(s1)CCCc1ccc(F)cc1-2 | 10.1016/j.bmcl.2011.06.124 | ||
| CHEMBL1836320 | 65973 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 425 | 9 | 2 | 5 | 4.3 | CC(C)S(=O)(=O)NCCCCCNc1nc2c(s1)CCCc1ccc(F)cc1-2 | 10.1016/j.bmcl.2011.06.124 | ||
| 57399998 | 71256 | 0 | None | - | 1 | Mouse | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 360 | 6 | 1 | 6 | 4.2 | CCOc1ccc(Nc2nc3cc(S(=O)(=O)C(C)C)ccc3o2)cc1 | 10.1016/j.bmcl.2012.01.027 | ||
| CHEMBL1956926 | 71256 | 0 | None | - | 1 | Mouse | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 360 | 6 | 1 | 6 | 4.2 | CCOc1ccc(Nc2nc3cc(S(=O)(=O)C(C)C)ccc3o2)cc1 | 10.1016/j.bmcl.2012.01.027 | ||
| 44158542 | 17545 | 0 | None | - | 0 | Human | 10.6 | pKi | = | 10.6 | Functional | ChEMBL | 433 | 5 | 1 | 6 | 4.7 | O=C1O[C@]2(CC[C@H](CNc3cnc(-c4ccccc4F)cn3)CC2)CN1c1ccccn1 | 10.1016/j.bmcl.2010.08.041 | ||
| CHEMBL1257993 | 17545 | 0 | None | - | 0 | Human | 10.6 | pKi | = | 10.6 | Functional | ChEMBL | 433 | 5 | 1 | 6 | 4.7 | O=C1O[C@]2(CC[C@H](CNc3cnc(-c4ccccc4F)cn3)CC2)CN1c1ccccn1 | 10.1016/j.bmcl.2010.08.041 | ||
| 24994659 | 17580 | 0 | None | - | 0 | Human | 10.5 | pKi | = | 10.5 | Functional | ChEMBL | 421 | 5 | 1 | 6 | 4.4 | O=C1O[C@]2(CC[C@H](CNc3ccn(-c4ccccc4F)n3)CC2)CN1c1ccccn1 | 10.1016/j.bmcl.2010.08.041 | ||
| CHEMBL1258111 | 17580 | 0 | None | - | 0 | Human | 10.5 | pKi | = | 10.5 | Functional | ChEMBL | 421 | 5 | 1 | 6 | 4.4 | O=C1O[C@]2(CC[C@H](CNc3ccn(-c4ccccc4F)n3)CC2)CN1c1ccccn1 | 10.1016/j.bmcl.2010.08.041 | ||
| 52944983 | 17611 | 0 | None | - | 0 | Human | 10.4 | pKi | = | 10.4 | Functional | ChEMBL | 422 | 5 | 1 | 7 | 3.8 | O=C1O[C@]2(CC[C@H](CNc3cnn(-c4ccccc4F)c3)CC2)CN1c1cncnc1 | 10.1016/j.bmcl.2010.08.041 | ||
| CHEMBL1258225 | 17611 | 0 | None | - | 0 | Human | 10.4 | pKi | = | 10.4 | Functional | ChEMBL | 422 | 5 | 1 | 7 | 3.8 | O=C1O[C@]2(CC[C@H](CNc3cnn(-c4ccccc4F)c3)CC2)CN1c1cncnc1 | 10.1016/j.bmcl.2010.08.041 | ||
| 44158762 | 17544 | 0 | None | - | 0 | Human | 10.2 | pKi | = | 10.2 | Functional | ChEMBL | 433 | 5 | 1 | 6 | 4.7 | O=C1O[C@]2(CC[C@H](CNc3ccc(-c4ccccc4F)nn3)CC2)CN1c1ccccn1 | 10.1016/j.bmcl.2010.08.041 | ||
| CHEMBL1257992 | 17544 | 0 | None | - | 0 | Human | 10.2 | pKi | = | 10.2 | Functional | ChEMBL | 433 | 5 | 1 | 6 | 4.7 | O=C1O[C@]2(CC[C@H](CNc3ccc(-c4ccccc4F)nn3)CC2)CN1c1ccccn1 | 10.1016/j.bmcl.2010.08.041 | ||
| 52941430 | 17642 | 0 | None | - | 0 | Human | 10.2 | pKi | = | 10.2 | Functional | ChEMBL | 422 | 5 | 1 | 7 | 3.8 | O=C1O[C@]2(CC[C@H](CNc3cnn(-c4ccccc4F)c3)CC2)CN1c1cnccn1 | 10.1016/j.bmcl.2010.08.041 | ||
| CHEMBL1258341 | 17642 | 0 | None | - | 0 | Human | 10.2 | pKi | = | 10.2 | Functional | ChEMBL | 422 | 5 | 1 | 7 | 3.8 | O=C1O[C@]2(CC[C@H](CNc3cnn(-c4ccccc4F)c3)CC2)CN1c1cnccn1 | 10.1016/j.bmcl.2010.08.041 | ||
| 44158764 | 17789 | 0 | None | - | 0 | Human | 10.2 | pKi | = | 10.2 | Functional | ChEMBL | 430 | 5 | 1 | 7 | 4.2 | Cc1ccccc1-c1ccc(NC[C@H]2CC[C@]3(CC2)CN(c2cccnn2)C(=O)O3)nn1 | 10.1016/j.bmcl.2010.08.041 | ||
| CHEMBL1258787 | 17789 | 0 | None | - | 0 | Human | 10.2 | pKi | = | 10.2 | Functional | ChEMBL | 430 | 5 | 1 | 7 | 4.2 | Cc1ccccc1-c1ccc(NC[C@H]2CC[C@]3(CC2)CN(c2cccnn2)C(=O)O3)nn1 | 10.1016/j.bmcl.2010.08.041 | ||
| 24996879 | 17579 | 0 | None | - | 0 | Human | 10.1 | pKi | = | 10.1 | Functional | ChEMBL | 421 | 5 | 1 | 7 | 4.6 | O=C1O[C@]2(CC[C@H](CNc3nc(-c4ccccn4)cs3)CC2)CN1c1ccccn1 | 10.1016/j.bmcl.2010.08.041 | ||
| CHEMBL1258110 | 17579 | 0 | None | - | 0 | Human | 10.1 | pKi | = | 10.1 | Functional | ChEMBL | 421 | 5 | 1 | 7 | 4.6 | O=C1O[C@]2(CC[C@H](CNc3nc(-c4ccccn4)cs3)CC2)CN1c1ccccn1 | 10.1016/j.bmcl.2010.08.041 | ||
| 52942650 | 17441 | 0 | None | - | 0 | Human | 10.0 | pKi | = | 10 | Functional | ChEMBL | 421 | 5 | 1 | 6 | 4.4 | O=C1O[C@]2(CC[C@H](CNc3cnn(-c4ccccc4F)c3)CC2)CN1c1cccnc1 | 10.1016/j.bmcl.2010.08.041 | ||
| CHEMBL1257636 | 17441 | 0 | None | - | 0 | Human | 10.0 | pKi | = | 10 | Functional | ChEMBL | 421 | 5 | 1 | 6 | 4.4 | O=C1O[C@]2(CC[C@H](CNc3cnn(-c4ccccc4F)c3)CC2)CN1c1cccnc1 | 10.1016/j.bmcl.2010.08.041 | ||
| 52942663 | 17641 | 0 | None | - | 0 | Human | 10.0 | pKi | = | 10 | Functional | ChEMBL | 439 | 5 | 1 | 6 | 4.5 | O=C1O[C@]2(CC[C@H](CNc3cnn(-c4ccccc4F)c3)CC2)CN1c1cccnc1F | 10.1016/j.bmcl.2010.08.041 | ||
| CHEMBL1258340 | 17641 | 0 | None | - | 0 | Human | 10.0 | pKi | = | 10 | Functional | ChEMBL | 439 | 5 | 1 | 6 | 4.5 | O=C1O[C@]2(CC[C@H](CNc3cnn(-c4ccccc4F)c3)CC2)CN1c1cccnc1F | 10.1016/j.bmcl.2010.08.041 | ||
| 52942671 | 17679 | 0 | None | - | 0 | Human | 10.0 | pKi | = | 10 | Functional | ChEMBL | 422 | 5 | 1 | 7 | 3.8 | O=C1O[C@]2(CC[C@H](CNc3cnn(-c4ccccc4F)c3)CC2)CN1c1cccnn1 | 10.1016/j.bmcl.2010.08.041 | ||
| CHEMBL1258453 | 17679 | 0 | None | - | 0 | Human | 10.0 | pKi | = | 10 | Functional | ChEMBL | 422 | 5 | 1 | 7 | 3.8 | O=C1O[C@]2(CC[C@H](CNc3cnn(-c4ccccc4F)c3)CC2)CN1c1cccnn1 | 10.1016/j.bmcl.2010.08.041 | ||
| 44158763 | 17752 | 0 | None | - | 0 | Human | 10.0 | pKi | = | 10 | Functional | ChEMBL | 452 | 5 | 1 | 7 | 4.2 | O=C1O[C@]2(CC[C@H](CNc3ccc(-c4cc(F)cc(F)c4)nn3)CC2)CN1c1cccnn1 | 10.1016/j.bmcl.2010.08.041 | ||
| CHEMBL1258674 | 17752 | 0 | None | - | 0 | Human | 10.0 | pKi | = | 10 | Functional | ChEMBL | 452 | 5 | 1 | 7 | 4.2 | O=C1O[C@]2(CC[C@H](CNc3ccc(-c4cc(F)cc(F)c4)nn3)CC2)CN1c1cccnn1 | 10.1016/j.bmcl.2010.08.041 | ||
| 44159473 | 17442 | 0 | None | - | 0 | Human | 9.9 | pKi | = | 9.9 | Functional | ChEMBL | 421 | 5 | 1 | 7 | 4.6 | O=C1O[C@]2(CC[C@H](CNc3ccc(-c4nccs4)cn3)CC2)CN1c1ccccn1 | 10.1016/j.bmcl.2010.08.041 | ||
| CHEMBL1257637 | 17442 | 0 | None | - | 0 | Human | 9.9 | pKi | = | 9.9 | Functional | ChEMBL | 421 | 5 | 1 | 7 | 4.6 | O=C1O[C@]2(CC[C@H](CNc3ccc(-c4nccs4)cn3)CC2)CN1c1ccccn1 | 10.1016/j.bmcl.2010.08.041 | ||
| 44159236 | 17479 | 0 | None | - | 0 | Human | 9.8 | pKi | = | 9.8 | Functional | ChEMBL | 416 | 5 | 1 | 7 | 3.9 | O=C1O[C@]2(CC[C@H](CNc3ccc(-c4ncccn4)cn3)CC2)CN1c1ccccn1 | 10.1016/j.bmcl.2010.08.041 | ||
| CHEMBL1257760 | 17479 | 0 | None | - | 0 | Human | 9.8 | pKi | = | 9.8 | Functional | ChEMBL | 416 | 5 | 1 | 7 | 3.9 | O=C1O[C@]2(CC[C@H](CNc3ccc(-c4ncccn4)cn3)CC2)CN1c1ccccn1 | 10.1016/j.bmcl.2010.08.041 | ||
| 44159353 | 17480 | 0 | None | - | 0 | Human | 9.8 | pKi | = | 9.8 | Functional | ChEMBL | 408 | 6 | 1 | 6 | 4.4 | O=C1O[C@]2(CC[C@H](CNc3ccc(OC4CCC4)cn3)CC2)CN1c1ccccn1 | 10.1016/j.bmcl.2010.08.041 | ||
| CHEMBL1257761 | 17480 | 0 | None | - | 0 | Human | 9.8 | pKi | = | 9.8 | Functional | ChEMBL | 408 | 6 | 1 | 6 | 4.4 | O=C1O[C@]2(CC[C@H](CNc3ccc(OC4CCC4)cn3)CC2)CN1c1ccccn1 | 10.1016/j.bmcl.2010.08.041 | ||
| 52950004 | 17751 | 0 | None | - | 0 | Human | 9.8 | pKi | = | 9.8 | Functional | ChEMBL | 434 | 5 | 1 | 7 | 4.1 | O=C1O[C@]2(CC[C@H](CNc3ccc(-c4ccccc4F)nn3)CC2)CN1c1cccnn1 | 10.1016/j.bmcl.2010.08.041 | ||
| CHEMBL1258673 | 17751 | 0 | None | - | 0 | Human | 9.8 | pKi | = | 9.8 | Functional | ChEMBL | 434 | 5 | 1 | 7 | 4.1 | O=C1O[C@]2(CC[C@H](CNc3ccc(-c4ccccc4F)nn3)CC2)CN1c1cccnn1 | 10.1016/j.bmcl.2010.08.041 | ||
| 25071621 | 19100 | 0 | None | - | 0 | Human | 9.8 | pKi | = | 9.8 | Functional | ChEMBL | 432 | 3 | 1 | 5 | 4.5 | O=C1OC2(CCN(c3nc4cc(OC(F)(F)F)ccc4[nH]3)CC2)CN1c1ccccc1 | 10.1016/j.bmcl.2010.09.064 | ||
| CHEMBL1289154 | 19100 | 0 | None | - | 0 | Human | 9.8 | pKi | = | 9.8 | Functional | ChEMBL | 432 | 3 | 1 | 5 | 4.5 | O=C1OC2(CCN(c3nc4cc(OC(F)(F)F)ccc4[nH]3)CC2)CN1c1ccccc1 | 10.1016/j.bmcl.2010.09.064 | ||
| 52948742 | 17680 | 0 | None | - | 0 | Human | 9.7 | pKi | = | 9.7 | Functional | ChEMBL | 422 | 5 | 1 | 7 | 3.8 | O=C1O[C@]2(CC[C@H](CNc3cnn(-c4ccccc4F)c3)CC2)CN1c1ccnnc1 | 10.1016/j.bmcl.2010.08.041 | ||
| CHEMBL1258454 | 17680 | 0 | None | - | 0 | Human | 9.7 | pKi | = | 9.7 | Functional | ChEMBL | 422 | 5 | 1 | 7 | 3.8 | O=C1O[C@]2(CC[C@H](CNc3cnn(-c4ccccc4F)c3)CC2)CN1c1ccnnc1 | 10.1016/j.bmcl.2010.08.041 | ||
| 52948986 | 17716 | 0 | None | - | 0 | Human | 9.7 | pKi | = | 9.7 | Functional | ChEMBL | 442 | 5 | 1 | 8 | 4.2 | Cc1nnc(N2C[C@]3(CC[C@@H](CNc4cnn(-c5ccccc5F)c4)CC3)OC2=O)s1 | 10.1016/j.bmcl.2010.08.041 | ||
| CHEMBL1258562 | 17716 | 0 | None | - | 0 | Human | 9.7 | pKi | = | 9.7 | Functional | ChEMBL | 442 | 5 | 1 | 8 | 4.2 | Cc1nnc(N2C[C@]3(CC[C@@H](CNc4cnn(-c5ccccc5F)c4)CC3)OC2=O)s1 | 10.1016/j.bmcl.2010.08.041 | ||
| 25071620 | 19099 | 0 | None | - | 0 | Human | 9.7 | pKi | = | 9.7 | Functional | ChEMBL | 442 | 3 | 1 | 4 | 5.4 | O=C1OC2(CCN(c3nc4cc(-c5ccc(F)cc5)ccc4[nH]3)CC2)CN1c1ccccc1 | 10.1016/j.bmcl.2010.09.064 | ||
| CHEMBL1289153 | 19099 | 0 | None | - | 0 | Human | 9.7 | pKi | = | 9.7 | Functional | ChEMBL | 442 | 3 | 1 | 4 | 5.4 | O=C1OC2(CCN(c3nc4cc(-c5ccc(F)cc5)ccc4[nH]3)CC2)CN1c1ccccc1 | 10.1016/j.bmcl.2010.09.064 | ||
| 44160200 | 17790 | 0 | None | - | 0 | Human | 9.6 | pKi | = | 9.6 | Functional | ChEMBL | 430 | 5 | 1 | 7 | 4.2 | Cc1cccc(-c2ccc(NC[C@H]3CC[C@]4(CC3)CN(c3cccnn3)C(=O)O4)nc2)n1 | 10.1016/j.bmcl.2010.08.041 | ||
| CHEMBL1258788 | 17790 | 0 | None | - | 0 | Human | 9.6 | pKi | = | 9.6 | Functional | ChEMBL | 430 | 5 | 1 | 7 | 4.2 | Cc1cccc(-c2ccc(NC[C@H]3CC[C@]4(CC3)CN(c3cccnn3)C(=O)O4)nc2)n1 | 10.1016/j.bmcl.2010.08.041 | ||
| 44158545 | 17610 | 0 | None | - | 0 | Human | 9.5 | pKi | = | 9.5 | Functional | ChEMBL | 433 | 5 | 1 | 6 | 4.7 | O=C1O[C@]2(CC[C@H](CNc3ncc(-c4ccccc4F)cn3)CC2)CN1c1ccccn1 | 10.1016/j.bmcl.2010.08.041 | ||
| CHEMBL1258224 | 17610 | 0 | None | - | 0 | Human | 9.5 | pKi | = | 9.5 | Functional | ChEMBL | 433 | 5 | 1 | 6 | 4.7 | O=C1O[C@]2(CC[C@H](CNc3ncc(-c4ccccc4F)cn3)CC2)CN1c1ccccn1 | 10.1016/j.bmcl.2010.08.041 | ||
| 44160199 | 17822 | 0 | None | - | 0 | Human | 9.5 | pKi | = | 9.5 | Functional | ChEMBL | 434 | 5 | 1 | 7 | 4.1 | O=C1O[C@]2(CC[C@H](CNc3ccc(-c4ncccc4F)cn3)CC2)CN1c1cccnn1 | 10.1016/j.bmcl.2010.08.041 | ||
| CHEMBL1258907 | 17822 | 0 | None | - | 0 | Human | 9.5 | pKi | = | 9.5 | Functional | ChEMBL | 434 | 5 | 1 | 7 | 4.1 | O=C1O[C@]2(CC[C@H](CNc3ccc(-c4ncccc4F)cn3)CC2)CN1c1cccnn1 | 10.1016/j.bmcl.2010.08.041 | ||
| 25071310 | 19114 | 0 | None | - | 0 | Human | 9.5 | pKi | = | 9.5 | Functional | ChEMBL | 431 | 3 | 1 | 4 | 5.5 | O=C1O[C@]2(CC[C@H](c3nc4cc(OC(F)(F)F)ccc4[nH]3)CC2)CN1c1ccccc1 | 10.1016/j.bmcl.2010.09.064 | ||
| CHEMBL1289267 | 19114 | 0 | None | - | 0 | Human | 9.5 | pKi | = | 9.5 | Functional | ChEMBL | 431 | 3 | 1 | 4 | 5.5 | O=C1O[C@]2(CC[C@H](c3nc4cc(OC(F)(F)F)ccc4[nH]3)CC2)CN1c1ccccc1 | 10.1016/j.bmcl.2010.09.064 | ||
| 25072880 | 19134 | 0 | None | - | 0 | Human | 9.5 | pKi | = | 9.5 | Functional | ChEMBL | 449 | 3 | 1 | 4 | 5.7 | O=C1O[C@]2(CC[C@H](c3nc4cc(OC(F)(F)F)ccc4[nH]3)CC2)CN1c1ccc(F)cc1 | 10.1016/j.bmcl.2010.09.064 | ||
| CHEMBL1289386 | 19134 | 0 | None | - | 0 | Human | 9.5 | pKi | = | 9.5 | Functional | ChEMBL | 449 | 3 | 1 | 4 | 5.7 | O=C1O[C@]2(CC[C@H](c3nc4cc(OC(F)(F)F)ccc4[nH]3)CC2)CN1c1ccc(F)cc1 | 10.1016/j.bmcl.2010.09.064 | ||
| 25073190 | 19227 | 0 | None | - | 0 | Human | 9.5 | pKi | = | 9.5 | Functional | ChEMBL | 372 | 2 | 1 | 4 | 4.5 | N#Cc1ccc2[nH]c([C@H]3CC[C@]4(CC3)CN(c3ccccc3)C(=O)O4)nc2c1 | 10.1016/j.bmcl.2010.09.064 | ||
| CHEMBL1290037 | 19227 | 0 | None | - | 0 | Human | 9.5 | pKi | = | 9.5 | Functional | ChEMBL | 372 | 2 | 1 | 4 | 4.5 | N#Cc1ccc2[nH]c([C@H]3CC[C@]4(CC3)CN(c3ccccc3)C(=O)O4)nc2c1 | 10.1016/j.bmcl.2010.09.064 | ||
| 49862239 | 15009 | 0 | None | - | 0 | Human | 9.4 | pKi | = | 9.4 | Functional | ChEMBL | 404 | 6 | 1 | 5 | 4.1 | CC(C(=O)N1C[C@H]2[C@@H](CNc3nc(-c4ccccn4)cs3)[C@H]2C1)c1ccccc1 | 10.1016/j.bmcl.2010.06.140 | ||
| CHEMBL1209159 | 15009 | 0 | None | - | 0 | Human | 9.4 | pKi | = | 9.4 | Functional | ChEMBL | 404 | 6 | 1 | 5 | 4.1 | CC(C(=O)N1C[C@H]2[C@@H](CNc3nc(-c4ccccn4)cs3)[C@H]2C1)c1ccccc1 | 10.1016/j.bmcl.2010.06.140 | ||
| 25072875 | 19167 | 0 | None | - | 0 | Human | 9.4 | pKi | = | 9.4 | Functional | ChEMBL | 446 | 3 | 1 | 5 | 5.2 | Cc1cccc(N2C[C@]3(CC[C@@H](c4nc5cc(OC(F)(F)F)ccc5[nH]4)CC3)OC2=O)n1 | 10.1016/j.bmcl.2010.09.064 | ||
| CHEMBL1289609 | 19167 | 0 | None | - | 0 | Human | 9.4 | pKi | = | 9.4 | Functional | ChEMBL | 446 | 3 | 1 | 5 | 5.2 | Cc1cccc(N2C[C@]3(CC[C@@H](c4nc5cc(OC(F)(F)F)ccc5[nH]4)CC3)OC2=O)n1 | 10.1016/j.bmcl.2010.09.064 | ||
| 52943793 | 17404 | 0 | None | - | 0 | Human | 9.2 | pKi | = | 9.2 | Functional | ChEMBL | 435 | 5 | 1 | 6 | 4.7 | Cc1ncccc1N1C[C@]2(CC[C@@H](CNc3cnn(-c4ccccc4F)c3)CC2)OC1=O | 10.1016/j.bmcl.2010.08.041 | ||
| CHEMBL1257520 | 17404 | 0 | None | - | 0 | Human | 9.2 | pKi | = | 9.2 | Functional | ChEMBL | 435 | 5 | 1 | 6 | 4.7 | Cc1ncccc1N1C[C@]2(CC[C@@H](CNc3cnn(-c4ccccc4F)c3)CC2)OC1=O | 10.1016/j.bmcl.2010.08.041 | ||
| 49862241 | 15012 | 0 | None | - | 0 | Human | 9.2 | pKi | = | 9.2 | Functional | ChEMBL | 404 | 7 | 1 | 5 | 4.0 | O=C(CCc1ccccc1)N1C[C@H]2[C@@H](CNc3nc(-c4ccccn4)cs3)[C@H]2C1 | 10.1016/j.bmcl.2010.06.140 | ||
| CHEMBL1209162 | 15012 | 0 | None | - | 0 | Human | 9.2 | pKi | = | 9.2 | Functional | ChEMBL | 404 | 7 | 1 | 5 | 4.0 | O=C(CCc1ccccc1)N1C[C@H]2[C@@H](CNc3nc(-c4ccccn4)cs3)[C@H]2C1 | 10.1016/j.bmcl.2010.06.140 | ||
| 49862400 | 15053 | 0 | None | - | 0 | Human | 9.2 | pKi | = | 9.2 | Functional | ChEMBL | 398 | 6 | 1 | 5 | 4.3 | Fc1cc(F)cc(CN2C[C@H]3[C@@H](CNc4nc(-c5ccccn5)cs4)[C@H]3C2)c1 | 10.1016/j.bmcl.2010.06.140 | ||
| CHEMBL1209345 | 15053 | 0 | None | - | 0 | Human | 9.2 | pKi | = | 9.2 | Functional | ChEMBL | 398 | 6 | 1 | 5 | 4.3 | Fc1cc(F)cc(CN2C[C@H]3[C@@H](CNc4nc(-c5ccccn5)cs4)[C@H]3C2)c1 | 10.1016/j.bmcl.2010.06.140 | ||
| 25073189 | 19115 | 0 | None | - | 0 | Human | 9.2 | pKi | = | 9.2 | Functional | ChEMBL | 449 | 3 | 1 | 4 | 5.7 | O=C1O[C@]2(CC[C@H](c3nc4cc(OC(F)(F)F)ccc4[nH]3)CC2)CN1c1ccccc1F | 10.1016/j.bmcl.2010.09.064 | ||
| CHEMBL1289268 | 19115 | 0 | None | - | 0 | Human | 9.2 | pKi | = | 9.2 | Functional | ChEMBL | 449 | 3 | 1 | 4 | 5.7 | O=C1O[C@]2(CC[C@H](c3nc4cc(OC(F)(F)F)ccc4[nH]3)CC2)CN1c1ccccc1F | 10.1016/j.bmcl.2010.09.064 | ||
| 25071931 | 19201 | 0 | None | - | 0 | Human | 9.2 | pKi | = | 9.2 | Functional | ChEMBL | 415 | 2 | 1 | 3 | 5.6 | O=C1O[C@]2(CC[C@H](c3nc4cc(C(F)(F)F)ccc4[nH]3)CC2)CN1c1ccccc1 | 10.1016/j.bmcl.2010.09.064 | ||
| CHEMBL1289820 | 19201 | 0 | None | - | 0 | Human | 9.2 | pKi | = | 9.2 | Functional | ChEMBL | 415 | 2 | 1 | 3 | 5.6 | O=C1O[C@]2(CC[C@H](c3nc4cc(C(F)(F)F)ccc4[nH]3)CC2)CN1c1ccccc1 | 10.1016/j.bmcl.2010.09.064 | ||
| 25072877 | 19228 | 0 | None | - | 0 | Human | 9.2 | pKi | = | 9.2 | Functional | ChEMBL | 390 | 2 | 1 | 4 | 4.6 | N#Cc1ccc2[nH]c([C@H]3CC[C@]4(CC3)CN(c3ccc(F)cc3)C(=O)O4)nc2c1 | 10.1016/j.bmcl.2010.09.064 | ||
| CHEMBL1290038 | 19228 | 0 | None | - | 0 | Human | 9.2 | pKi | = | 9.2 | Functional | ChEMBL | 390 | 2 | 1 | 4 | 4.6 | N#Cc1ccc2[nH]c([C@H]3CC[C@]4(CC3)CN(c3ccc(F)cc3)C(=O)O4)nc2c1 | 10.1016/j.bmcl.2010.09.064 | ||
| 49862240 | 15010 | 0 | None | - | 0 | Human | 9.1 | pKi | = | 9.1 | Functional | ChEMBL | 416 | 6 | 1 | 5 | 4.1 | O=C(N1C[C@H]2[C@@H](CNc3nc(-c4ccccn4)cs3)[C@H]2C1)C1(c2ccccc2)CC1 | 10.1016/j.bmcl.2010.06.140 | ||
| CHEMBL1209160 | 15010 | 0 | None | - | 0 | Human | 9.1 | pKi | = | 9.1 | Functional | ChEMBL | 416 | 6 | 1 | 5 | 4.1 | O=C(N1C[C@H]2[C@@H](CNc3nc(-c4ccccn4)cs3)[C@H]2C1)C1(c2ccccc2)CC1 | 10.1016/j.bmcl.2010.06.140 | ||
| 49862289 | 15023 | 0 | None | - | 0 | Human | 9.1 | pKi | = | 9.1 | Functional | ChEMBL | 416 | 6 | 1 | 5 | 4.1 | O=C([C@H]1C[C@@H]1c1ccccc1)N1C[C@H]2[C@@H](CNc3nc(-c4ccccn4)cs3)[C@H]2C1 | 10.1016/j.bmcl.2010.06.140 | ||
| CHEMBL1209216 | 15023 | 0 | None | - | 0 | Human | 9.1 | pKi | = | 9.1 | Functional | ChEMBL | 416 | 6 | 1 | 5 | 4.1 | O=C([C@H]1C[C@@H]1c1ccccc1)N1C[C@H]2[C@@H](CNc3nc(-c4ccccn4)cs3)[C@H]2C1 | 10.1016/j.bmcl.2010.06.140 | ||
| 22253974 | 65977 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Functional | ChEMBL | 411 | 9 | 2 | 6 | 4.0 | CCS(=O)(=O)NCCCCCNc1nc2c(s1)CCSc1ccccc1-2 | 10.1016/j.bmcl.2011.06.124 | ||
| CHEMBL1836324 | 65977 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Functional | ChEMBL | 411 | 9 | 2 | 6 | 4.0 | CCS(=O)(=O)NCCCCCNc1nc2c(s1)CCSc1ccccc1-2 | 10.1016/j.bmcl.2011.06.124 | ||
| 9887852 | 65975 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Functional | ChEMBL | 411 | 9 | 2 | 5 | 4.0 | CCS(=O)(=O)NCCCCCNc1nc2c(s1)CCCc1ccc(F)cc1-2 | 10.1016/j.bmcl.2011.06.124 | ||
| CHEMBL1836322 | 65975 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Functional | ChEMBL | 411 | 9 | 2 | 5 | 4.0 | CCS(=O)(=O)NCCCCCNc1nc2c(s1)CCCc1ccc(F)cc1-2 | 10.1016/j.bmcl.2011.06.124 | ||
| 44159235 | 17514 | 0 | None | - | 0 | Human | 9.0 | pKi | = | 9 | Functional | ChEMBL | 406 | 4 | 1 | 5 | 4.5 | O=C1O[C@]2(CC[C@H](CNc3ccc(C(F)(F)F)cn3)CC2)CN1c1ccccn1 | 10.1016/j.bmcl.2010.08.041 | ||
| CHEMBL1257881 | 17514 | 0 | None | - | 0 | Human | 9.0 | pKi | = | 9 | Functional | ChEMBL | 406 | 4 | 1 | 5 | 4.5 | O=C1O[C@]2(CC[C@H](CNc3ccc(C(F)(F)F)cn3)CC2)CN1c1ccccn1 | 10.1016/j.bmcl.2010.08.041 | ||
| 49862157 | 14991 | 0 | None | - | 0 | Human | 9.0 | pKi | = | 9 | Functional | ChEMBL | 394 | 5 | 1 | 5 | 3.8 | O=C(c1cccc(F)c1)N1C[C@H]2[C@@H](CNc3nc(-c4ccccn4)cs3)[C@H]2C1 | 10.1016/j.bmcl.2010.06.140 | ||
| CHEMBL1209052 | 14991 | 0 | None | - | 0 | Human | 9.0 | pKi | = | 9 | Functional | ChEMBL | 394 | 5 | 1 | 5 | 3.8 | O=C(c1cccc(F)c1)N1C[C@H]2[C@@H](CNc3nc(-c4ccccn4)cs3)[C@H]2C1 | 10.1016/j.bmcl.2010.06.140 | ||
| 49862200 | 14998 | 0 | None | - | 0 | Human | 9.0 | pKi | = | 9 | Functional | ChEMBL | 390 | 6 | 1 | 5 | 3.6 | O=C(Cc1ccccc1)N1C[C@H]2[C@H](CNc3nc(-c4ccccn4)cs3)[C@H]2C1 | 10.1016/j.bmcl.2010.06.140 | ||
| CHEMBL1209101 | 14998 | 0 | None | - | 0 | Human | 9.0 | pKi | = | 9 | Functional | ChEMBL | 390 | 6 | 1 | 5 | 3.6 | O=C(Cc1ccccc1)N1C[C@H]2[C@H](CNc3nc(-c4ccccn4)cs3)[C@H]2C1 | 10.1016/j.bmcl.2010.06.140 | ||
| 49862200 | 14999 | 0 | None | - | 0 | Human | 9.0 | pKi | = | 9 | Functional | ChEMBL | 390 | 6 | 1 | 5 | 3.6 | O=C(Cc1ccccc1)N1C[C@H]2[C@@H](CNc3nc(-c4ccccn4)cs3)[C@H]2C1 | 10.1016/j.bmcl.2010.06.140 | ||
| CHEMBL1209102 | 14999 | 0 | None | - | 0 | Human | 9.0 | pKi | = | 9 | Functional | ChEMBL | 390 | 6 | 1 | 5 | 3.6 | O=C(Cc1ccccc1)N1C[C@H]2[C@@H](CNc3nc(-c4ccccn4)cs3)[C@H]2C1 | 10.1016/j.bmcl.2010.06.140 | ||
| 9845943 | 65982 | 0 | None | - | 0 | Human | 9.0 | pKi | = | 9.0 | Functional | ChEMBL | 437 | 6 | 2 | 7 | 3.3 | COc1cccc2c1OCCc1sc(N[C@H]3CC[C@H](CNS(C)(=O)=O)CC3)nc1-2 | 10.1016/j.bmcl.2011.06.124 | ||
| CHEMBL1836329 | 65982 | 0 | None | - | 0 | Human | 9.0 | pKi | = | 9.0 | Functional | ChEMBL | 437 | 6 | 2 | 7 | 3.3 | COc1cccc2c1OCCc1sc(N[C@H]3CC[C@H](CNS(C)(=O)=O)CC3)nc1-2 | 10.1016/j.bmcl.2011.06.124 | ||
| 9888553 | 65984 | 0 | None | - | 0 | Human | 9.0 | pKi | = | 9.0 | Functional | ChEMBL | 423 | 5 | 2 | 5 | 4.0 | CS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2011.06.124 | ||
| CHEMBL1836331 | 65984 | 0 | None | - | 0 | Human | 9.0 | pKi | = | 9.0 | Functional | ChEMBL | 423 | 5 | 2 | 5 | 4.0 | CS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2011.06.124 | ||
| 49862401 | 15054 | 0 | None | - | 0 | Human | 8.9 | pKi | = | 8.9 | Functional | ChEMBL | 376 | 6 | 1 | 5 | 4.6 | CC(c1ccccc1)N1C[C@H]2[C@@H](CNc3nc(-c4ccccn4)cs3)[C@H]2C1 | 10.1016/j.bmcl.2010.06.140 | ||
| CHEMBL1209346 | 15054 | 0 | None | - | 0 | Human | 8.9 | pKi | = | 8.9 | Functional | ChEMBL | 376 | 6 | 1 | 5 | 4.6 | CC(c1ccccc1)N1C[C@H]2[C@@H](CNc3nc(-c4ccccn4)cs3)[C@H]2C1 | 10.1016/j.bmcl.2010.06.140 | ||
| 25071929 | 19079 | 0 | None | - | 0 | Human | 8.9 | pKi | = | 8.9 | Functional | ChEMBL | 426 | 2 | 1 | 4 | 4.3 | O=C1OC2(CCN(c3nc4cc(Br)ccc4[nH]3)CC2)CN1c1ccccc1 | 10.1016/j.bmcl.2010.09.064 | ||
| CHEMBL1289038 | 19079 | 0 | None | - | 0 | Human | 8.9 | pKi | = | 8.9 | Functional | ChEMBL | 426 | 2 | 1 | 4 | 4.3 | O=C1OC2(CCN(c3nc4cc(Br)ccc4[nH]3)CC2)CN1c1ccccc1 | 10.1016/j.bmcl.2010.09.064 | ||
| 25073191 | 19151 | 0 | None | - | 0 | Human | 8.9 | pKi | = | 8.9 | Functional | ChEMBL | 432 | 3 | 1 | 5 | 4.9 | O=C1O[C@]2(CC[C@H](c3nc4cc(OC(F)(F)F)ccc4[nH]3)CC2)CN1c1ccccn1 | 10.1016/j.bmcl.2010.09.064 | ||
| CHEMBL1289503 | 19151 | 0 | None | - | 0 | Human | 8.9 | pKi | = | 8.9 | Functional | ChEMBL | 432 | 3 | 1 | 5 | 4.9 | O=C1O[C@]2(CC[C@H](c3nc4cc(OC(F)(F)F)ccc4[nH]3)CC2)CN1c1ccccn1 | 10.1016/j.bmcl.2010.09.064 | ||
| 25073801 | 19184 | 0 | None | - | 0 | Human | 8.9 | pKi | = | 8.9 | Functional | ChEMBL | 450 | 3 | 1 | 5 | 5.0 | O=C1O[C@]2(CC[C@H](c3nc4cc(OC(F)(F)F)ccc4[nH]3)CC2)CN1c1cccc(F)n1 | 10.1016/j.bmcl.2010.09.064 | ||
| CHEMBL1289714 | 19184 | 0 | None | - | 0 | Human | 8.9 | pKi | = | 8.9 | Functional | ChEMBL | 450 | 3 | 1 | 5 | 5.0 | O=C1O[C@]2(CC[C@H](c3nc4cc(OC(F)(F)F)ccc4[nH]3)CC2)CN1c1cccc(F)n1 | 10.1016/j.bmcl.2010.09.064 | ||
| 9908801 | 65972 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Functional | ChEMBL | 397 | 8 | 2 | 5 | 3.6 | CS(=O)(=O)NCCCCCNc1nc2c(s1)CCCc1ccc(F)cc1-2 | 10.1016/j.bmcl.2011.06.124 | ||
| CHEMBL1836319 | 65972 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Functional | ChEMBL | 397 | 8 | 2 | 5 | 3.6 | CS(=O)(=O)NCCCCCNc1nc2c(s1)CCCc1ccc(F)cc1-2 | 10.1016/j.bmcl.2011.06.124 | ||
| 22254068 | 65970 | 32 | None | - | 1 | Rat | 8.9 | pKi | = | 8.9 | Functional | ChEMBL | 423 | 5 | 2 | 6 | 4.0 | CS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc3c(s2)CCSc2ccccc2-3)CC1 | 10.1016/j.bmcl.2011.06.124 | ||
| CHEMBL1836317 | 65970 | 32 | None | - | 1 | Rat | 8.9 | pKi | = | 8.9 | Functional | ChEMBL | 423 | 5 | 2 | 6 | 4.0 | CS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc3c(s2)CCSc2ccccc2-3)CC1 | 10.1016/j.bmcl.2011.06.124 | ||
| 22254068 | 65970 | 32 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Functional | ChEMBL | 423 | 5 | 2 | 6 | 4.0 | CS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc3c(s2)CCSc2ccccc2-3)CC1 | 10.1016/j.bmcl.2011.06.124 | ||
| CHEMBL1836317 | 65970 | 32 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Functional | ChEMBL | 423 | 5 | 2 | 6 | 4.0 | CS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc3c(s2)CCSc2ccccc2-3)CC1 | 10.1016/j.bmcl.2011.06.124 | ||
| 44159706 | 17717 | 0 | None | - | 0 | Human | 8.8 | pKi | = | 8.8 | Functional | ChEMBL | 417 | 5 | 1 | 8 | 3.3 | O=C1O[C@]2(CC[C@H](CNc3ccc(-c4ncccn4)cn3)CC2)CN1c1cccnn1 | 10.1016/j.bmcl.2010.08.041 | ||
| CHEMBL1258563 | 17717 | 0 | None | - | 0 | Human | 8.8 | pKi | = | 8.8 | Functional | ChEMBL | 417 | 5 | 1 | 8 | 3.3 | O=C1O[C@]2(CC[C@H](CNc3ccc(-c4ncccn4)cn3)CC2)CN1c1cccnn1 | 10.1016/j.bmcl.2010.08.041 | ||
| 49862158 | 14992 | 0 | None | - | 0 | Human | 8.8 | pKi | = | 8.8 | Functional | ChEMBL | 412 | 5 | 1 | 5 | 3.9 | O=C(c1cc(F)cc(F)c1)N1C[C@H]2[C@@H](CNc3nc(-c4ccccn4)cs3)[C@H]2C1 | 10.1016/j.bmcl.2010.06.140 | ||
| CHEMBL1209053 | 14992 | 0 | None | - | 0 | Human | 8.8 | pKi | = | 8.8 | Functional | ChEMBL | 412 | 5 | 1 | 5 | 3.9 | O=C(c1cc(F)cc(F)c1)N1C[C@H]2[C@@H](CNc3nc(-c4ccccn4)cs3)[C@H]2C1 | 10.1016/j.bmcl.2010.06.140 | ||
| 49862339 | 15036 | 0 | None | - | 0 | Human | 8.8 | pKi | = | 8.8 | Functional | ChEMBL | 362 | 6 | 1 | 5 | 4.0 | c1ccc(CN2C[C@H]3[C@@H](CNc4nc(-c5ccccn5)cs4)[C@H]3C2)cc1 | 10.1016/j.bmcl.2010.06.140 | ||
| CHEMBL1209280 | 15036 | 0 | None | - | 0 | Human | 8.8 | pKi | = | 8.8 | Functional | ChEMBL | 362 | 6 | 1 | 5 | 4.0 | c1ccc(CN2C[C@H]3[C@@H](CNc4nc(-c5ccccn5)cs4)[C@H]3C2)cc1 | 10.1016/j.bmcl.2010.06.140 | ||
| 25072242 | 19338 | 0 | None | - | 0 | Human | 8.8 | pKi | = | 8.8 | Functional | ChEMBL | 416 | 2 | 1 | 4 | 4.6 | O=C1OC2(CCN(c3nc4cc(C(F)(F)F)ccc4[nH]3)CC2)CN1c1ccccc1 | 10.1016/j.bmcl.2010.09.064 | ||
| CHEMBL1290706 | 19338 | 0 | None | - | 0 | Human | 8.8 | pKi | = | 8.8 | Functional | ChEMBL | 416 | 2 | 1 | 4 | 4.6 | O=C1OC2(CCN(c3nc4cc(C(F)(F)F)ccc4[nH]3)CC2)CN1c1ccccc1 | 10.1016/j.bmcl.2010.09.064 | ||
| 22254110 | 65983 | 0 | None | - | 0 | Human | 8.8 | pKi | = | 8.8 | Functional | ChEMBL | 415 | 8 | 2 | 6 | 3.7 | CS(=O)(=O)NCCCCCNc1nc2c(s1)CCSc1ccc(F)cc1-2 | 10.1016/j.bmcl.2011.06.124 | ||
| CHEMBL1836330 | 65983 | 0 | None | - | 0 | Human | 8.8 | pKi | = | 8.8 | Functional | ChEMBL | 415 | 8 | 2 | 6 | 3.7 | CS(=O)(=O)NCCCCCNc1nc2c(s1)CCSc1ccc(F)cc1-2 | 10.1016/j.bmcl.2011.06.124 | ||
| 22254020 | 65969 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Functional | ChEMBL | 491 | 6 | 2 | 7 | 5.5 | O=S(=O)(NC[C@H]1CC[C@H](Nc2nc3c(s2)CCSc2ccccc2-3)CC1)c1cccs1 | 10.1016/j.bmcl.2011.06.124 | ||
| CHEMBL1836316 | 65969 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Functional | ChEMBL | 491 | 6 | 2 | 7 | 5.5 | O=S(=O)(NC[C@H]1CC[C@H](Nc2nc3c(s2)CCSc2ccccc2-3)CC1)c1cccs1 | 10.1016/j.bmcl.2011.06.124 | ||
| 24987242 | 17296 | 0 | None | - | 0 | Human | 8.7 | pKi | = | 8.7 | Functional | ChEMBL | 435 | 3 | 1 | 6 | 4.2 | O=C(Nc1nc(-c2ccccn2)cs1)N1CCC2(CC1)CN(c1ccccc1)C(=O)O2 | 10.1016/j.bmcl.2010.08.041 | ||
| CHEMBL1257173 | 17296 | 0 | None | - | 0 | Human | 8.7 | pKi | = | 8.7 | Functional | ChEMBL | 435 | 3 | 1 | 6 | 4.2 | O=C(Nc1nc(-c2ccccn2)cs1)N1CCC2(CC1)CN(c1ccccc1)C(=O)O2 | 10.1016/j.bmcl.2010.08.041 | ||
| 24987242 | 17296 | 0 | None | - | 0 | Human | 8.7 | pKi | = | 8.7 | Functional | ChEMBL | 435 | 3 | 1 | 6 | 4.2 | O=C(Nc1nc(-c2ccccn2)cs1)N1CCC2(CC1)CN(c1ccccc1)C(=O)O2 | 10.1016/j.bmcl.2010.09.064 | ||
| CHEMBL1257173 | 17296 | 0 | None | - | 0 | Human | 8.7 | pKi | = | 8.7 | Functional | ChEMBL | 435 | 3 | 1 | 6 | 4.2 | O=C(Nc1nc(-c2ccccn2)cs1)N1CCC2(CC1)CN(c1ccccc1)C(=O)O2 | 10.1016/j.bmcl.2010.09.064 | ||
| 49862337 | 15034 | 0 | None | - | 0 | Human | 6.0 | pKi | = | 6 | Functional | ChEMBL | 272 | 4 | 2 | 5 | 2.1 | c1ccc(-c2csc(NC[C@@H]3[C@H]4CNC[C@H]43)n2)nc1 | 10.1016/j.bmcl.2010.06.140 | ||
| CHEMBL1209278 | 15034 | 0 | None | - | 0 | Human | 6.0 | pKi | = | 6 | Functional | ChEMBL | 272 | 4 | 2 | 5 | 2.1 | c1ccc(-c2csc(NC[C@@H]3[C@H]4CNC[C@H]43)n2)nc1 | 10.1016/j.bmcl.2010.06.140 | ||
| 10872843 | 102938 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Functional | ChEMBL | 390 | 7 | 2 | 3 | 4.9 | C[C@H]([C@@H](O)c1ccccc1)N(C)C(=O)Nc1ccc(OCc2ccccc2)cc1 | 10.1021/jm0004547 | ||
| CHEMBL306277 | 102938 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Functional | ChEMBL | 390 | 7 | 2 | 3 | 4.9 | C[C@H]([C@@H](O)c1ccccc1)N(C)C(=O)Nc1ccc(OCc2ccccc2)cc1 | 10.1021/jm0004547 | ||
| 49862156 | 14989 | 0 | None | - | 0 | Human | 7.9 | pKi | = | 7.9 | Functional | ChEMBL | 376 | 5 | 1 | 5 | 3.6 | O=C(c1ccccc1)N1C[C@H]2[C@H](CNc3nc(-c4ccccn4)cs3)[C@H]2C1 | 10.1016/j.bmcl.2010.06.140 | ||
| CHEMBL1209050 | 14989 | 0 | None | - | 0 | Human | 7.9 | pKi | = | 7.9 | Functional | ChEMBL | 376 | 5 | 1 | 5 | 3.6 | O=C(c1ccccc1)N1C[C@H]2[C@H](CNc3nc(-c4ccccn4)cs3)[C@H]2C1 | 10.1016/j.bmcl.2010.06.140 | ||
| 22254119 | 65967 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Functional | ChEMBL | 535 | 6 | 2 | 6 | 6.6 | O=S(=O)(NC[C@H]1CC[C@H](Nc2nc3c(s2)CCSc2ccccc2-3)CC1)c1cccc2ccccc12 | 10.1016/j.bmcl.2011.06.124 | ||
| CHEMBL1836314 | 65967 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Functional | ChEMBL | 535 | 6 | 2 | 6 | 6.6 | O=S(=O)(NC[C@H]1CC[C@H](Nc2nc3c(s2)CCSc2ccccc2-3)CC1)c1cccc2ccccc12 | 10.1016/j.bmcl.2011.06.124 | ||
| 4527770 | 15055 | 5 | None | - | 0 | Human | 7.8 | pKi | = | 7.8 | Functional | ChEMBL | 321 | 3 | 1 | 4 | 5.0 | FC(F)(F)c1ccc(Nc2nc(-c3ccccn3)cs2)cc1 | 10.1016/j.bmcl.2010.08.041 | ||
| CHEMBL1209347 | 15055 | 5 | None | - | 0 | Human | 7.8 | pKi | = | 7.8 | Functional | ChEMBL | 321 | 3 | 1 | 4 | 5.0 | FC(F)(F)c1ccc(Nc2nc(-c3ccccn3)cs2)cc1 | 10.1016/j.bmcl.2010.08.041 | ||
| 4527770 | 15055 | 5 | None | - | 0 | Human | 7.8 | pKi | = | 7.8 | Functional | ChEMBL | 321 | 3 | 1 | 4 | 5.0 | FC(F)(F)c1ccc(Nc2nc(-c3ccccn3)cs2)cc1 | 10.1016/j.bmcl.2010.06.140 | ||
| CHEMBL1209347 | 15055 | 5 | None | - | 0 | Human | 7.8 | pKi | = | 7.8 | Functional | ChEMBL | 321 | 3 | 1 | 4 | 5.0 | FC(F)(F)c1ccc(Nc2nc(-c3ccccn3)cs2)cc1 | 10.1016/j.bmcl.2010.06.140 | ||
| 20651572 | 65985 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Functional | ChEMBL | 407 | 5 | 2 | 6 | 3.3 | CS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc3c(s2)CCOc2ccccc2-3)CC1 | 10.1016/j.bmcl.2011.06.124 | ||
| CHEMBL1836332 | 65985 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Functional | ChEMBL | 407 | 5 | 2 | 6 | 3.3 | CS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc3c(s2)CCOc2ccccc2-3)CC1 | 10.1016/j.bmcl.2011.06.124 | ||
| 9982218 | 101764 | 6 | None | - | 1 | Rat | 7.8 | pKi | = | 7.8 | Functional | ChEMBL | 471 | 9 | 2 | 5 | 4.1 | O=[N+]([O-])c1ccccc1S(=O)(=O)NC[C@H]1CC[C@H](CNCC2CCc3ccccc3C2)CC1 | 10.1016/s0960-894x(02)00287-1 | ||
| CHEMBL1435188 | 101764 | 6 | None | - | 1 | Rat | 7.8 | pKi | = | 7.8 | Functional | ChEMBL | 471 | 9 | 2 | 5 | 4.1 | O=[N+]([O-])c1ccccc1S(=O)(=O)NC[C@H]1CC[C@H](CNCC2CCc3ccccc3C2)CC1 | 10.1016/s0960-894x(02)00287-1 | ||
| CHEMBL299879 | 101764 | 6 | None | - | 1 | Rat | 7.8 | pKi | = | 7.8 | Functional | ChEMBL | 471 | 9 | 2 | 5 | 4.1 | O=[N+]([O-])c1ccccc1S(=O)(=O)NC[C@H]1CC[C@H](CNCC2CCc3ccccc3C2)CC1 | 10.1016/s0960-894x(02)00287-1 | ||
| 25071930 | 19080 | 0 | None | - | 0 | Human | 7.7 | pKi | = | 7.7 | Functional | ChEMBL | 366 | 2 | 1 | 4 | 3.7 | O=C1OC2(CCN(c3nc4cc(F)ccc4[nH]3)CC2)CN1c1ccccc1 | 10.1016/j.bmcl.2010.09.064 | ||
| CHEMBL1289039 | 19080 | 0 | None | - | 0 | Human | 7.7 | pKi | = | 7.7 | Functional | ChEMBL | 366 | 2 | 1 | 4 | 3.7 | O=C1OC2(CCN(c3nc4cc(F)ccc4[nH]3)CC2)CN1c1ccccc1 | 10.1016/j.bmcl.2010.09.064 | ||
| 25072244 | 19200 | 0 | None | - | 0 | Human | 7.7 | pKi | = | 7.7 | Functional | ChEMBL | 450 | 3 | 1 | 5 | 5.0 | O=C1O[C@]2(CC[C@H](c3nc4cc(OC(F)(F)F)ccc4[nH]3)CC2)CN1c1cccnc1F | 10.1016/j.bmcl.2010.09.064 | ||
| CHEMBL1289819 | 19200 | 0 | None | - | 0 | Human | 7.7 | pKi | = | 7.7 | Functional | ChEMBL | 450 | 3 | 1 | 5 | 5.0 | O=C1O[C@]2(CC[C@H](c3nc4cc(OC(F)(F)F)ccc4[nH]3)CC2)CN1c1cccnc1F | 10.1016/j.bmcl.2010.09.064 | ||
| 20651606 | 65980 | 0 | None | - | 0 | Human | 8.6 | pKi | = | 8.6 | Functional | ChEMBL | 427 | 9 | 2 | 6 | 3.2 | CC(C)S(=O)(=O)NCCOCCNc1nc2c(s1)CCCc1ccc(F)cc1-2 | 10.1016/j.bmcl.2011.06.124 | ||
| CHEMBL1836327 | 65980 | 0 | None | - | 0 | Human | 8.6 | pKi | = | 8.6 | Functional | ChEMBL | 427 | 9 | 2 | 6 | 3.2 | CC(C)S(=O)(=O)NCCOCCNc1nc2c(s1)CCCc1ccc(F)cc1-2 | 10.1016/j.bmcl.2011.06.124 | ||
| 49862155 | 14988 | 0 | None | - | 0 | Human | 8.6 | pKi | = | 8.6 | Functional | ChEMBL | 342 | 5 | 1 | 5 | 3.0 | CC(C)C(=O)N1C[C@H]2[C@@H](CNc3nc(-c4ccccn4)cs3)[C@H]2C1 | 10.1016/j.bmcl.2010.06.140 | ||
| CHEMBL1209049 | 14988 | 0 | None | - | 0 | Human | 8.6 | pKi | = | 8.6 | Functional | ChEMBL | 342 | 5 | 1 | 5 | 3.0 | CC(C)C(=O)N1C[C@H]2[C@@H](CNc3nc(-c4ccccn4)cs3)[C@H]2C1 | 10.1016/j.bmcl.2010.06.140 | ||
| 49862156 | 14990 | 0 | None | - | 0 | Human | 8.6 | pKi | = | 8.6 | Functional | ChEMBL | 376 | 5 | 1 | 5 | 3.6 | O=C(c1ccccc1)N1C[C@H]2[C@@H](CNc3nc(-c4ccccn4)cs3)[C@H]2C1 | 10.1016/j.bmcl.2010.06.140 | ||
| CHEMBL1209051 | 14990 | 0 | None | - | 0 | Human | 8.6 | pKi | = | 8.6 | Functional | ChEMBL | 376 | 5 | 1 | 5 | 3.6 | O=C(c1ccccc1)N1C[C@H]2[C@@H](CNc3nc(-c4ccccn4)cs3)[C@H]2C1 | 10.1016/j.bmcl.2010.06.140 | ||
| 25072245 | 19150 | 0 | None | - | 0 | Human | 8.6 | pKi | = | 8.6 | Functional | ChEMBL | 465 | 3 | 1 | 4 | 6.2 | O=C1O[C@]2(CC[C@H](c3nc4cc(OC(F)(F)F)ccc4[nH]3)CC2)CN1c1ccccc1Cl | 10.1016/j.bmcl.2010.09.064 | ||
| CHEMBL1289502 | 19150 | 0 | None | - | 0 | Human | 8.6 | pKi | = | 8.6 | Functional | ChEMBL | 465 | 3 | 1 | 4 | 6.2 | O=C1O[C@]2(CC[C@H](c3nc4cc(OC(F)(F)F)ccc4[nH]3)CC2)CN1c1ccccc1Cl | 10.1016/j.bmcl.2010.09.064 | ||
| 22254050 | 65971 | 1 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Functional | ChEMBL | 437 | 6 | 2 | 6 | 4.4 | CCS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc3c(s2)CCSc2ccccc2-3)CC1 | 10.1016/j.bmcl.2011.06.124 | ||
| CHEMBL1836318 | 65971 | 1 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Functional | ChEMBL | 437 | 6 | 2 | 6 | 4.4 | CCS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc3c(s2)CCSc2ccccc2-3)CC1 | 10.1016/j.bmcl.2011.06.124 | ||
| 22254003 | 65968 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Functional | ChEMBL | 489 | 6 | 2 | 8 | 4.1 | Cn1cnc(S(=O)(=O)NC[C@H]2CC[C@H](Nc3nc4c(s3)CCSc3ccccc3-4)CC2)c1 | 10.1016/j.bmcl.2011.06.124 | ||
| CHEMBL1836315 | 65968 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Functional | ChEMBL | 489 | 6 | 2 | 8 | 4.1 | Cn1cnc(S(=O)(=O)NC[C@H]2CC[C@H](Nc3nc4c(s3)CCSc3ccccc3-4)CC2)c1 | 10.1016/j.bmcl.2011.06.124 | ||
| 9885994 | 205098 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Functional | ChEMBL | 376 | 6 | 2 | 3 | 5.1 | C[C@H]([C@@H](O)c1ccccc1)N(C)C(=O)Nc1ccc(Oc2ccccc2)cc1 | 10.1021/jm0004547 | ||
| CHEMBL77639 | 205098 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Functional | ChEMBL | 376 | 6 | 2 | 3 | 5.1 | C[C@H]([C@@H](O)c1ccccc1)N(C)C(=O)Nc1ccc(Oc2ccccc2)cc1 | 10.1021/jm0004547 | ||
| 25072246 | 19185 | 0 | None | - | 0 | Human | 7.6 | pKi | = | 7.6 | Functional | ChEMBL | 432 | 3 | 1 | 5 | 4.9 | O=C1O[C@]2(CC[C@H](c3nc4cc(OC(F)(F)F)ccc4[nH]3)CC2)CN1c1cccnc1 | 10.1016/j.bmcl.2010.09.064 | ||
| CHEMBL1289715 | 19185 | 0 | None | - | 0 | Human | 7.6 | pKi | = | 7.6 | Functional | ChEMBL | 432 | 3 | 1 | 5 | 4.9 | O=C1O[C@]2(CC[C@H](c3nc4cc(OC(F)(F)F)ccc4[nH]3)CC2)CN1c1cccnc1 | 10.1016/j.bmcl.2010.09.064 | ||
| 46927904 | 14982 | 0 | None | - | 0 | Human | 5.6 | pKi | = | 5.6 | Functional | ChEMBL | 314 | 4 | 1 | 5 | 2.3 | CC(=O)N1C[C@H]2[C@@H](CNc3nc(-c4ccccn4)cs3)[C@H]2C1 | 10.1016/j.bmcl.2010.06.140 | ||
| CHEMBL1208996 | 14982 | 0 | None | - | 0 | Human | 5.6 | pKi | = | 5.6 | Functional | ChEMBL | 314 | 4 | 1 | 5 | 2.3 | CC(=O)N1C[C@H]2[C@@H](CNc3nc(-c4ccccn4)cs3)[C@H]2C1 | 10.1016/j.bmcl.2010.06.140 | ||
| 9801629 | 65978 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Functional | ChEMBL | 409 | 4 | 2 | 5 | 3.7 | CS(=O)(=O)N[C@H]1CC[C@H](Nc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2011.06.124 | ||
| CHEMBL1836325 | 65978 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Functional | ChEMBL | 409 | 4 | 2 | 5 | 3.7 | CS(=O)(=O)N[C@H]1CC[C@H](Nc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2011.06.124 | ||
| 20651581 | 65979 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Functional | ChEMBL | 451 | 8 | 2 | 5 | 4.1 | O=S(=O)(CC(F)(F)F)NCCCCNc1nc2c(s1)CCCc1ccc(F)cc1-2 | 10.1016/j.bmcl.2011.06.124 | ||
| CHEMBL1836326 | 65979 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Functional | ChEMBL | 451 | 8 | 2 | 5 | 4.1 | O=S(=O)(CC(F)(F)F)NCCCCNc1nc2c(s1)CCCc1ccc(F)cc1-2 | 10.1016/j.bmcl.2011.06.124 | ||
| 49862338 | 15035 | 0 | None | - | 0 | Human | 8.4 | pKi | = | 8.4 | Functional | ChEMBL | 328 | 6 | 1 | 5 | 3.5 | CC(C)CN1C[C@H]2[C@@H](CNc3nc(-c4ccccn4)cs3)[C@H]2C1 | 10.1016/j.bmcl.2010.06.140 | ||
| CHEMBL1209279 | 15035 | 0 | None | - | 0 | Human | 8.4 | pKi | = | 8.4 | Functional | ChEMBL | 328 | 6 | 1 | 5 | 3.5 | CC(C)CN1C[C@H]2[C@@H](CNc3nc(-c4ccccn4)cs3)[C@H]2C1 | 10.1016/j.bmcl.2010.06.140 | ||
| 49862340 | 15037 | 0 | None | - | 0 | Human | 8.4 | pKi | = | 8.4 | Functional | ChEMBL | 390 | 6 | 1 | 5 | 4.6 | Cc1cc(C)cc(CN2C[C@H]3[C@@H](CNc4nc(-c5ccccn5)cs4)[C@H]3C2)c1 | 10.1016/j.bmcl.2010.06.140 | ||
| CHEMBL1209281 | 15037 | 0 | None | - | 0 | Human | 8.4 | pKi | = | 8.4 | Functional | ChEMBL | 390 | 6 | 1 | 5 | 4.6 | Cc1cc(C)cc(CN2C[C@H]3[C@@H](CNc4nc(-c5ccccn5)cs4)[C@H]3C2)c1 | 10.1016/j.bmcl.2010.06.140 | ||
| 25074110 | 19213 | 0 | None | - | 0 | Human | 8.4 | pKi | = | 8.4 | Functional | ChEMBL | 434 | 2 | 1 | 4 | 5.2 | O=C1O[C@]2(CC[C@H](c3nc4cc(C(F)(F)F)ccc4[nH]3)CC2)CN1c1cccc(F)n1 | 10.1016/j.bmcl.2010.09.064 | ||
| CHEMBL1289937 | 19213 | 0 | None | - | 0 | Human | 8.4 | pKi | = | 8.4 | Functional | ChEMBL | 434 | 2 | 1 | 4 | 5.2 | O=C1O[C@]2(CC[C@H](c3nc4cc(C(F)(F)F)ccc4[nH]3)CC2)CN1c1cccc(F)n1 | 10.1016/j.bmcl.2010.09.064 | ||
| 49862336 | 15033 | 0 | None | - | 0 | Human | 7.5 | pKi | = | 7.5 | Functional | ChEMBL | 384 | 5 | 1 | 6 | 2.7 | O=C(C1CCOCC1)N1C[C@H]2[C@@H](CNc3nc(-c4ccccn4)cs3)[C@H]2C1 | 10.1016/j.bmcl.2010.06.140 | ||
| CHEMBL1209277 | 15033 | 0 | None | - | 0 | Human | 7.5 | pKi | = | 7.5 | Functional | ChEMBL | 384 | 5 | 1 | 6 | 2.7 | O=C(C1CCOCC1)N1C[C@H]2[C@@H](CNc3nc(-c4ccccn4)cs3)[C@H]2C1 | 10.1016/j.bmcl.2010.06.140 | ||
| 25022356 | 19339 | 0 | None | - | 0 | Human | 6.5 | pKi | = | 6.5 | Functional | ChEMBL | 348 | 2 | 1 | 4 | 3.6 | O=C1OC2(CCN(c3nc4ccccc4[nH]3)CC2)CN1c1ccccc1 | 10.1016/j.bmcl.2010.09.064 | ||
| CHEMBL1290707 | 19339 | 0 | None | - | 0 | Human | 6.5 | pKi | = | 6.5 | Functional | ChEMBL | 348 | 2 | 1 | 4 | 3.6 | O=C1OC2(CCN(c3nc4ccccc4[nH]3)CC2)CN1c1ccccc1 | 10.1016/j.bmcl.2010.09.064 | ||
| 22254131 | 65952 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Functional | ChEMBL | 529 | 7 | 2 | 7 | 5.7 | COc1ccc(C)cc1S(=O)(=O)NC[C@H]1CC[C@H](Nc2nc3c(s2)CCSc2ccccc2-3)CC1 | 10.1016/j.bmcl.2011.06.124 | ||
| CHEMBL1836103 | 65952 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Functional | ChEMBL | 529 | 7 | 2 | 7 | 5.7 | COc1ccc(C)cc1S(=O)(=O)NC[C@H]1CC[C@H](Nc2nc3c(s2)CCSc2ccccc2-3)CC1 | 10.1016/j.bmcl.2011.06.124 | ||
| 20651605 | 65973 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Functional | ChEMBL | 425 | 9 | 2 | 5 | 4.3 | CC(C)S(=O)(=O)NCCCCCNc1nc2c(s1)CCCc1ccc(F)cc1-2 | 10.1016/j.bmcl.2011.06.124 | ||
| CHEMBL1836320 | 65973 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Functional | ChEMBL | 425 | 9 | 2 | 5 | 4.3 | CC(C)S(=O)(=O)NCCCCCNc1nc2c(s1)CCCc1ccc(F)cc1-2 | 10.1016/j.bmcl.2011.06.124 | ||
| 10429613 | 163339 | 0 | None | 60 | 2 | Human | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 376 | 6 | 2 | 3 | 5.1 | C[C@H]([C@H](O)c1ccccc1)N(C)C(=O)Nc1ccc(Oc2ccccc2)cc1 | 10.1021/jm0004547 | ||
| CHEMBL419086 | 163339 | 0 | None | 60 | 2 | Human | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 376 | 6 | 2 | 3 | 5.1 | C[C@H]([C@H](O)c1ccccc1)N(C)C(=O)Nc1ccc(Oc2ccccc2)cc1 | 10.1021/jm0004547 | ||
| 44158441 | 17515 | 0 | None | - | 0 | Human | 8.3 | pKi | = | 8.3 | Functional | ChEMBL | 432 | 5 | 1 | 5 | 5.3 | O=C1O[C@]2(CC[C@H](CNc3ccc(-c4ccccc4F)nc3)CC2)CN1c1ccccn1 | 10.1016/j.bmcl.2010.08.041 | ||
| CHEMBL1257882 | 17515 | 0 | None | - | 0 | Human | 8.3 | pKi | = | 8.3 | Functional | ChEMBL | 432 | 5 | 1 | 5 | 5.3 | O=C1O[C@]2(CC[C@H](CNc3ccc(-c4ccccc4F)nc3)CC2)CN1c1ccccn1 | 10.1016/j.bmcl.2010.08.041 | ||
| 49862198 | 14997 | 0 | None | - | 0 | Human | 8.3 | pKi | = | 8.3 | Functional | ChEMBL | 377 | 5 | 1 | 6 | 3.0 | O=C(c1cccnc1)N1C[C@H]2[C@@H](CNc3nc(-c4ccccn4)cs3)[C@H]2C1 | 10.1016/j.bmcl.2010.06.140 | ||
| CHEMBL1209100 | 14997 | 0 | None | - | 0 | Human | 8.3 | pKi | = | 8.3 | Functional | ChEMBL | 377 | 5 | 1 | 6 | 3.0 | O=C(c1cccnc1)N1C[C@H]2[C@@H](CNc3nc(-c4ccccn4)cs3)[C@H]2C1 | 10.1016/j.bmcl.2010.06.140 | ||
| 49862288 | 15022 | 0 | None | - | 0 | Human | 8.3 | pKi | = | 8.3 | Functional | ChEMBL | 432 | 7 | 1 | 5 | 4.8 | CC(C(=O)N1C[C@H]2[C@@H](CNc3nc(-c4ccccn4)cs3)[C@H]2C1)C(C)c1ccccc1 | 10.1016/j.bmcl.2010.06.140 | ||
| CHEMBL1209215 | 15022 | 0 | None | - | 0 | Human | 8.3 | pKi | = | 8.3 | Functional | ChEMBL | 432 | 7 | 1 | 5 | 4.8 | CC(C(=O)N1C[C@H]2[C@@H](CNc3nc(-c4ccccn4)cs3)[C@H]2C1)C(C)c1ccccc1 | 10.1016/j.bmcl.2010.06.140 | ||
| 49862290 | 15025 | 0 | None | - | 0 | Human | 8.3 | pKi | = | 8.3 | Functional | ChEMBL | 370 | 5 | 1 | 6 | 2.5 | O=C(C1CCCO1)N1C[C@H]2[C@@H](CNc3nc(-c4ccccn4)cs3)[C@H]2C1 | 10.1016/j.bmcl.2010.06.140 | ||
| CHEMBL1209218 | 15025 | 0 | None | - | 0 | Human | 8.3 | pKi | = | 8.3 | Functional | ChEMBL | 370 | 5 | 1 | 6 | 2.5 | O=C(C1CCCO1)N1C[C@H]2[C@@H](CNc3nc(-c4ccccn4)cs3)[C@H]2C1 | 10.1016/j.bmcl.2010.06.140 | ||
| 25072243 | 19135 | 0 | None | - | 0 | Human | 8.3 | pKi | = | 8.3 | Functional | ChEMBL | 445 | 3 | 1 | 4 | 5.8 | Cc1ccccc1N1C[C@]2(CC[C@@H](c3nc4cc(OC(F)(F)F)ccc4[nH]3)CC2)OC1=O | 10.1016/j.bmcl.2010.09.064 | ||
| CHEMBL1289387 | 19135 | 0 | None | - | 0 | Human | 8.3 | pKi | = | 8.3 | Functional | ChEMBL | 445 | 3 | 1 | 4 | 5.8 | Cc1ccccc1N1C[C@]2(CC[C@@H](c3nc4cc(OC(F)(F)F)ccc4[nH]3)CC2)OC1=O | 10.1016/j.bmcl.2010.09.064 | ||
| 25072876 | 19212 | 0 | None | - | 0 | Human | 8.3 | pKi | = | 8.3 | Functional | ChEMBL | 416 | 2 | 1 | 4 | 5.0 | O=C1O[C@]2(CC[C@H](c3nc4cc(C(F)(F)F)ccc4[nH]3)CC2)CN1c1ccccn1 | 10.1016/j.bmcl.2010.09.064 | ||
| CHEMBL1289936 | 19212 | 0 | None | - | 0 | Human | 8.3 | pKi | = | 8.3 | Functional | ChEMBL | 416 | 2 | 1 | 4 | 5.0 | O=C1O[C@]2(CC[C@H](c3nc4cc(C(F)(F)F)ccc4[nH]3)CC2)CN1c1ccccn1 | 10.1016/j.bmcl.2010.09.064 | ||
| 54752621 | 67819 | 0 | None | - | 0 | Rat | 8.3 | pKi | = | 8.3 | Functional | ChEMBL | 369 | 10 | 2 | 6 | 2.2 | CN(C)S(=O)(=O)NCCCCCNc1nc(-c2ccccn2)cs1 | 10.1016/j.bmcl.2011.08.072 | ||
| CHEMBL1909725 | 67819 | 0 | None | - | 0 | Rat | 8.3 | pKi | = | 8.3 | Functional | ChEMBL | 369 | 10 | 2 | 6 | 2.2 | CN(C)S(=O)(=O)NCCCCCNc1nc(-c2ccccn2)cs1 | 10.1016/j.bmcl.2011.08.072 | ||
| 49862199 | 14968 | 0 | None | - | 0 | Human | 7.3 | pKi | = | 7.3 | Functional | ChEMBL | 377 | 5 | 1 | 6 | 3.0 | O=C(c1ccncc1)N1C[C@H]2[C@@H](CNc3nc(-c4ccccn4)cs3)[C@H]2C1 | 10.1016/j.bmcl.2010.06.140 | ||
| CHEMBL1208795 | 14968 | 0 | None | - | 0 | Human | 7.3 | pKi | = | 7.3 | Functional | ChEMBL | 377 | 5 | 1 | 6 | 3.0 | O=C(c1ccncc1)N1C[C@H]2[C@@H](CNc3nc(-c4ccccn4)cs3)[C@H]2C1 | 10.1016/j.bmcl.2010.06.140 | ||
| 11824961 | 205170 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 376 | 6 | 2 | 3 | 5.1 | C[C@@H]([C@H](O)c1ccccc1)N(C)C(=O)Nc1ccc(Oc2ccccc2)cc1 | 10.1021/jm0004547 | ||
| CHEMBL78265 | 205170 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 376 | 6 | 2 | 3 | 5.1 | C[C@@H]([C@H](O)c1ccccc1)N(C)C(=O)Nc1ccc(Oc2ccccc2)cc1 | 10.1021/jm0004547 | ||
| 49862241 | 15011 | 0 | None | - | 0 | Human | 8.2 | pKi | = | 8.2 | Functional | ChEMBL | 404 | 7 | 1 | 5 | 4.0 | O=C(CCc1ccccc1)N1C[C@H]2[C@H](CNc3nc(-c4ccccn4)cs3)[C@H]2C1 | 10.1016/j.bmcl.2010.06.140 | ||
| CHEMBL1209161 | 15011 | 0 | None | - | 0 | Human | 8.2 | pKi | = | 8.2 | Functional | ChEMBL | 404 | 7 | 1 | 5 | 4.0 | O=C(CCc1ccccc1)N1C[C@H]2[C@H](CNc3nc(-c4ccccn4)cs3)[C@H]2C1 | 10.1016/j.bmcl.2010.06.140 | ||
| 20651616 | 65981 | 0 | None | - | 0 | Human | 8.2 | pKi | = | 8.2 | Functional | ChEMBL | 437 | 6 | 2 | 7 | 3.3 | COc1ccc2c(c1)OCCc1sc(NC[C@H]3CC[C@H](NS(C)(=O)=O)CC3)nc1-2 | 10.1016/j.bmcl.2011.06.124 | ||
| CHEMBL1836328 | 65981 | 0 | None | - | 0 | Human | 8.2 | pKi | = | 8.2 | Functional | ChEMBL | 437 | 6 | 2 | 7 | 3.3 | COc1ccc2c(c1)OCCc1sc(NC[C@H]3CC[C@H](NS(C)(=O)=O)CC3)nc1-2 | 10.1016/j.bmcl.2011.06.124 | ||
| 9847327 | 65974 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Functional | ChEMBL | 465 | 9 | 2 | 5 | 4.5 | O=S(=O)(CC(F)(F)F)NCCCCCNc1nc2c(s1)CCCc1ccc(F)cc1-2 | 10.1016/j.bmcl.2011.06.124 | ||
| CHEMBL1836321 | 65974 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Functional | ChEMBL | 465 | 9 | 2 | 5 | 4.5 | O=S(=O)(CC(F)(F)F)NCCCCCNc1nc2c(s1)CCCc1ccc(F)cc1-2 | 10.1016/j.bmcl.2011.06.124 | ||
| 46927903 | 15024 | 0 | None | - | 0 | Human | 8.1 | pKi | = | 8.1 | Functional | ChEMBL | 370 | 5 | 1 | 6 | 2.4 | O=C(C1CCOC1)N1C[C@H]2[C@@H](CNc3nc(-c4ccccn4)cs3)[C@H]2C1 | 10.1016/j.bmcl.2010.06.140 | ||
| CHEMBL1209217 | 15024 | 0 | None | - | 0 | Human | 8.1 | pKi | = | 8.1 | Functional | ChEMBL | 370 | 5 | 1 | 6 | 2.4 | O=C(C1CCOC1)N1C[C@H]2[C@@H](CNc3nc(-c4ccccn4)cs3)[C@H]2C1 | 10.1016/j.bmcl.2010.06.140 | ||
| 25073188 | 19243 | 0 | None | - | 0 | Human | 8.1 | pKi | = | 8.1 | Functional | ChEMBL | 373 | 2 | 1 | 5 | 3.9 | N#Cc1ccc2[nH]c([C@H]3CC[C@]4(CC3)CN(c3ccccn3)C(=O)O4)nc2c1 | 10.1016/j.bmcl.2010.09.064 | ||
| CHEMBL1290147 | 19243 | 0 | None | - | 0 | Human | 8.1 | pKi | = | 8.1 | Functional | ChEMBL | 373 | 2 | 1 | 5 | 3.9 | N#Cc1ccc2[nH]c([C@H]3CC[C@]4(CC3)CN(c3ccccn3)C(=O)O4)nc2c1 | 10.1016/j.bmcl.2010.09.064 | ||
| 25072568 | 19168 | 0 | None | - | 0 | Human | 7.1 | pKi | = | 7.1 | Functional | ChEMBL | 446 | 3 | 1 | 5 | 5.2 | Cc1ncccc1N1C[C@]2(CC[C@@H](c3nc4cc(OC(F)(F)F)ccc4[nH]3)CC2)OC1=O | 10.1016/j.bmcl.2010.09.064 | ||
| CHEMBL1289610 | 19168 | 0 | None | - | 0 | Human | 7.1 | pKi | = | 7.1 | Functional | ChEMBL | 446 | 3 | 1 | 5 | 5.2 | Cc1ncccc1N1C[C@]2(CC[C@@H](c3nc4cc(OC(F)(F)F)ccc4[nH]3)CC2)OC1=O | 10.1016/j.bmcl.2010.09.064 | ||
| 56683832 | 65976 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Functional | ChEMBL | 397 | 8 | 2 | 6 | 3.6 | CS(=O)(=O)NCCCCCNc1nc2c(s1)CCSc1ccccc1-2 | 10.1016/j.bmcl.2011.06.124 | ||
| CHEMBL1836323 | 65976 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Functional | ChEMBL | 397 | 8 | 2 | 6 | 3.6 | CS(=O)(=O)NCCCCCNc1nc2c(s1)CCSc1ccccc1-2 | 10.1016/j.bmcl.2011.06.124 | ||
| 1522 | 336 | 0 | None | 1 | 5 | Human | 8.2 | pIC50 | = | 8.2 | Functional | Guide to Pharmacology | None | None | None | None | 12069595 | ||||
| 1522 | 336 | 0 | None | -1 | 5 | Rat | 8.2 | pIC50 | = | 8.2 | Functional | Guide to Pharmacology | None | None | None | None | 12069595 | ||||
| 11589975 | 1674 | 0 | None | - | 1 | Human | 8.4 | pIC50 | None | 8.4 | Functional | Guide to Pharmacology | 390 | 5 | 1 | 3 | 5.2 | O=C(N(CCc1ccncc1)C)Nc1ccc2c(c1)c1CCCCc1n2C(C)C | 16436501 | ||
| 1563 | 1674 | 0 | None | - | 1 | Human | 8.4 | pIC50 | None | 8.4 | Functional | Guide to Pharmacology | 390 | 5 | 1 | 3 | 5.2 | O=C(N(CCc1ccncc1)C)Nc1ccc2c(c1)c1CCCCc1n2C(C)C | 16436501 | ||
| Ligands (move mouse cursor over ligand name to see structure) | Receptor | Assay information | Chemical information | |||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Sel. page | Similar- ity |
Common name |
GPCRdb ID |
#Vendors |
Reference ligand |
Fold selectivity |
# Tested GPCRs |
Species |
p-value (-log) |
Activity Type |
Activity Relation |
Activity Value |
Assay Type |
Assay Description |
Source |
Mol weight |
Rot Bonds |
H don |
H acc |
LogP |
Smiles |
DOI |
| 56841989 | 213420 | 6 | None | -17 | 7 | Mouse | 9.3 | pEC50 | = | 9.3 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
| CHEMBL4281479 | 213420 | 6 | None | -17 | 7 | Mouse | 9.3 | pEC50 | = | 9.3 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
| 56841989 | 213420 | 6 | None | -17 | 7 | Mouse | 9.3 | pEC50 | = | 9.3 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
| CHEMBL4281479 | 213420 | 6 | None | -17 | 7 | Mouse | 9.3 | pEC50 | = | 9.3 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
| CHEMBL4280392 | 213406 | 0 | None | - | 4 | Mouse | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N(C)[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
| CHEMBL4283257 | 213437 | 0 | None | - | 4 | Mouse | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
| CHEMBL4276961 | 213368 | 0 | None | - | 4 | Mouse | 8.6 | pEC50 | = | 8.6 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O | 10.1021/acs.jmedchem.8b01046 | |||||
| CHEMBL4276961 | 213368 | 0 | None | - | 4 | Mouse | 8.6 | pEC50 | = | 8.6 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O | 10.1021/acs.jmedchem.8b01046 | |||||
| CHEMBL4280392 | 213406 | 0 | None | - | 4 | Mouse | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N(C)[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
| CHEMBL4283257 | 213437 | 0 | None | - | 4 | Mouse | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
| CHEMBL4292105 | 213513 | 0 | None | - | 4 | Mouse | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
| CHEMBL4292105 | 213513 | 0 | None | - | 4 | Mouse | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
| CHEMBL4287058 | 213467 | 0 | None | - | 4 | Mouse | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
| CHEMBL4290445 | 213495 | 0 | None | - | 4 | Mouse | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N(C)[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
| CHEMBL4287058 | 213467 | 0 | None | - | 4 | Mouse | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
| CHEMBL4290445 | 213495 | 0 | None | - | 4 | Mouse | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N(C)[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
| 70675708 | 128482 | 0 | None | - | 0 | Mouse | 9.9 | pIC50 | = | 9.9 | Binding | ChEMBL | 378 | 7 | 2 | 6 | 3.0 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(-c3ccccc3)no2)CC1 | nan | |||
| CHEMBL3666784 | 128482 | 0 | None | - | 0 | Mouse | 9.9 | pIC50 | = | 9.9 | Binding | ChEMBL | 378 | 7 | 2 | 6 | 3.0 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(-c3ccccc3)no2)CC1 | nan | |||
| 70682528 | 76902 | 0 | None | - | 0 | Mouse | 9.8 | pIC50 | = | 9.8 | Binding | ChEMBL | 380 | 4 | 1 | 3 | 4.8 | CCS(=O)(=O)c1ccc2[nH]c(-c3ccc(F)c(-c4ccccc4)c3)nc2c1 | 10.1016/j.bmcl.2012.07.020 | |||
| CHEMBL2070148 | 76902 | 0 | None | - | 0 | Mouse | 9.8 | pIC50 | = | 9.8 | Binding | ChEMBL | 380 | 4 | 1 | 3 | 4.8 | CCS(=O)(=O)c1ccc2[nH]c(-c3ccc(F)c(-c4ccccc4)c3)nc2c1 | 10.1016/j.bmcl.2012.07.020 | |||
| 70695120 | 76905 | 0 | None | - | 0 | Mouse | 9.8 | pIC50 | = | 9.8 | Binding | ChEMBL | 396 | 4 | 1 | 3 | 5.3 | CCS(=O)(=O)c1ccc2[nH]c(-c3ccc(Cl)c(-c4ccccc4)c3)nc2c1 | 10.1016/j.bmcl.2012.07.020 | |||
| CHEMBL2070151 | 76905 | 0 | None | - | 0 | Mouse | 9.8 | pIC50 | = | 9.8 | Binding | ChEMBL | 396 | 4 | 1 | 3 | 5.3 | CCS(=O)(=O)c1ccc2[nH]c(-c3ccc(Cl)c(-c4ccccc4)c3)nc2c1 | 10.1016/j.bmcl.2012.07.020 | |||
| 70675728 | 128485 | 0 | None | - | 0 | Mouse | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 400 | 7 | 2 | 6 | 2.9 | CCS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(-c3ccc(F)cc3F)no2)CC1 | nan | |||
| CHEMBL3666787 | 128485 | 0 | None | - | 0 | Mouse | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 400 | 7 | 2 | 6 | 2.9 | CCS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(-c3ccc(F)cc3F)no2)CC1 | nan | |||
| 10758227 | 118978 | 0 | None | - | 0 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 286 | 5 | 1 | 3 | 3.9 | CCCCCc1cc2[nH]c(C)nc(N3CCCCC3)c-2n1 | 10.1021/jm000269t | |||
| CHEMBL342438 | 118978 | 0 | None | - | 0 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 286 | 5 | 1 | 3 | 3.9 | CCCCCc1cc2[nH]c(C)nc(N3CCCCC3)c-2n1 | 10.1021/jm000269t | |||
| 70675706 | 128480 | 0 | None | - | 0 | Mouse | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 396 | 7 | 2 | 6 | 3.2 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(-c3cccc(F)c3)no2)CC1 | nan | |||
| CHEMBL3666782 | 128480 | 0 | None | - | 0 | Mouse | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 396 | 7 | 2 | 6 | 3.2 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(-c3cccc(F)c3)no2)CC1 | nan | |||
| 18004956 | 187204 | 0 | None | - | 0 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 453 | 2 | 1 | 3 | 4.3 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.02.035 | |||
| CHEMBL492370 | 187204 | 0 | None | - | 0 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 453 | 2 | 1 | 3 | 4.3 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.02.035 | |||
| 70688847 | 76801 | 0 | None | - | 0 | Mouse | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 376 | 4 | 1 | 3 | 5.0 | CCS(=O)(=O)c1ccc2[nH]c(-c3ccc(C)c(-c4ccccc4)c3)nc2c1 | 10.1016/j.bmcl.2012.07.020 | |||
| CHEMBL2069316 | 76801 | 0 | None | - | 0 | Mouse | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 376 | 4 | 1 | 3 | 5.0 | CCS(=O)(=O)c1ccc2[nH]c(-c3ccc(C)c(-c4ccccc4)c3)nc2c1 | 10.1016/j.bmcl.2012.07.020 | |||
| 71453237 | 81348 | 0 | None | - | 0 | Mouse | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 425 | 4 | 1 | 5 | 3.5 | O=S(=O)(CC(F)(F)F)c1ccc2[nH]c(N3CCOC(c4ccccc4)C3)nc2c1 | 10.1016/j.bmcl.2012.09.025 | |||
| CHEMBL2159167 | 81348 | 0 | None | - | 0 | Mouse | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 425 | 4 | 1 | 5 | 3.5 | O=S(=O)(CC(F)(F)F)c1ccc2[nH]c(N3CCOC(c4ccccc4)C3)nc2c1 | 10.1016/j.bmcl.2012.09.025 | |||
| 70675705 | 128479 | 0 | None | - | 0 | Mouse | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 382 | 7 | 2 | 6 | 2.8 | CCS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(-c3cccc(F)c3)no2)CC1 | nan | |||
| CHEMBL3666781 | 128479 | 0 | None | - | 0 | Mouse | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 382 | 7 | 2 | 6 | 2.8 | CCS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(-c3cccc(F)c3)no2)CC1 | nan | |||
| 70675727 | 128484 | 0 | None | - | 0 | Mouse | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 400 | 7 | 2 | 6 | 2.9 | CCS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(-c3ccc(F)c(F)c3)no2)CC1 | nan | |||
| CHEMBL3666786 | 128484 | 0 | None | - | 0 | Mouse | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 400 | 7 | 2 | 6 | 2.9 | CCS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(-c3ccc(F)c(F)c3)no2)CC1 | nan | |||
| 70675729 | 128486 | 0 | None | - | 0 | Mouse | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 400 | 7 | 2 | 6 | 2.9 | CCS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(-c3cc(F)cc(F)c3)no2)CC1 | nan | |||
| CHEMBL3666788 | 128486 | 0 | None | - | 0 | Mouse | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 400 | 7 | 2 | 6 | 2.9 | CCS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(-c3cc(F)cc(F)c3)no2)CC1 | nan | |||
| 10255890 | 98463 | 0 | None | - | 0 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 513 | 4 | 1 | 5 | 5.4 | O=C(Nc1ccc(Cl)c2ccccc12)C1CCN(C(=O)Cn2c(=O)sc3ccc(Cl)cc32)CC1 | 10.1016/s0960-894x(02)00113-0 | |||
| CHEMBL275841 | 98463 | 0 | None | - | 0 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 513 | 4 | 1 | 5 | 5.4 | O=C(Nc1ccc(Cl)c2ccccc12)C1CCN(C(=O)Cn2c(=O)sc3ccc(Cl)cc32)CC1 | 10.1016/s0960-894x(02)00113-0 | |||
| 68613905 | 125442 | 0 | None | - | 0 | Mouse | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 404 | 4 | 2 | 4 | 4.8 | O=C(N[C@H]1CC[C@@H](c2nc(-c3ccc(Cl)c(Cl)c3)c[nH]2)CC1)c1ccon1 | nan | |||
| CHEMBL3646136 | 125442 | 0 | None | - | 0 | Mouse | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 404 | 4 | 2 | 4 | 4.8 | O=C(N[C@H]1CC[C@@H](c2nc(-c3ccc(Cl)c(Cl)c3)c[nH]2)CC1)c1ccon1 | nan | |||
| 71454971 | 81346 | 0 | None | - | 0 | Mouse | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 399 | 5 | 1 | 5 | 3.6 | CC(C)CS(=O)(=O)c1ccc2[nH]c(N3CCOC(c4ccccc4)C3)nc2c1 | 10.1016/j.bmcl.2012.09.025 | |||
| CHEMBL2159165 | 81346 | 0 | None | - | 0 | Mouse | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 399 | 5 | 1 | 5 | 3.6 | CC(C)CS(=O)(=O)c1ccc2[nH]c(N3CCOC(c4ccccc4)C3)nc2c1 | 10.1016/j.bmcl.2012.09.025 | |||
| 70688848 | 76915 | 0 | None | - | 0 | Mouse | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 433 | 4 | 1 | 5 | 3.7 | O=c1ccc(-c2nc3cc(S(=O)(=O)CC(F)(F)F)ccc3[nH]2)cn1-c1ccccc1 | 10.1016/j.bmcl.2012.07.020 | |||
| CHEMBL2070161 | 76915 | 0 | None | - | 0 | Mouse | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 433 | 4 | 1 | 5 | 3.7 | O=c1ccc(-c2nc3cc(S(=O)(=O)CC(F)(F)F)ccc3[nH]2)cn1-c1ccccc1 | 10.1016/j.bmcl.2012.07.020 | |||
| 71458601 | 81339 | 0 | None | - | 0 | Mouse | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 383 | 5 | 1 | 4 | 4.1 | CCCS(=O)(=O)c1ccc2[nH]c(N3CCCC(c4ccccc4)C3)nc2c1 | 10.1016/j.bmcl.2012.09.025 | |||
| CHEMBL2159158 | 81339 | 0 | None | - | 0 | Mouse | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 383 | 5 | 1 | 4 | 4.1 | CCCS(=O)(=O)c1ccc2[nH]c(N3CCCC(c4ccccc4)C3)nc2c1 | 10.1016/j.bmcl.2012.09.025 | |||
| 10471957 | 25589 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 332 | 2 | 1 | 4 | 4.7 | Cc1nc(N2CCCCC2)c2[nH]c(-c3cc4ccccc4o3)cc2n1 | 10.1021/jm000269t | |||
| CHEMBL135143 | 25589 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 332 | 2 | 1 | 4 | 4.7 | Cc1nc(N2CCCCC2)c2[nH]c(-c3cc4ccccc4o3)cc2n1 | 10.1021/jm000269t | |||
| 10712643 | 29386 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 310 | 2 | 1 | 3 | 4.1 | Cc1nc(N2CCCCC2)c2[nH]c(-c3ccc(F)cc3)cc2n1 | 10.1021/jm000269t | |||
| CHEMBL138379 | 29386 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 310 | 2 | 1 | 3 | 4.1 | Cc1nc(N2CCCCC2)c2[nH]c(-c3ccc(F)cc3)cc2n1 | 10.1021/jm000269t | |||
| 10783815 | 119282 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 310 | 2 | 1 | 3 | 4.1 | Cc1nc(N2CCCCC2)c2[nH]c(-c3cccc(F)c3)cc2n1 | 10.1021/jm000269t | |||
| CHEMBL343817 | 119282 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 310 | 2 | 1 | 3 | 4.1 | Cc1nc(N2CCCCC2)c2[nH]c(-c3cccc(F)c3)cc2n1 | 10.1021/jm000269t | |||
| 70697155 | 76911 | 0 | None | - | 0 | Mouse | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 363 | 4 | 1 | 4 | 4.1 | CCS(=O)(=O)c1ccc2[nH]c(-c3ccnc(-c4ccccc4)c3)nc2c1 | 10.1016/j.bmcl.2012.07.020 | |||
| CHEMBL2070157 | 76911 | 0 | None | - | 0 | Mouse | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 363 | 4 | 1 | 4 | 4.1 | CCS(=O)(=O)c1ccc2[nH]c(-c3ccnc(-c4ccccc4)c3)nc2c1 | 10.1016/j.bmcl.2012.07.020 | |||
| 70675703 | 128477 | 0 | None | - | 0 | Mouse | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 382 | 7 | 2 | 6 | 2.8 | CCS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(-c3ccc(F)cc3)no2)CC1 | nan | |||
| CHEMBL3666779 | 128477 | 0 | None | - | 0 | Mouse | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 382 | 7 | 2 | 6 | 2.8 | CCS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(-c3ccc(F)cc3)no2)CC1 | nan | |||
| 70675704 | 128478 | 0 | None | - | 0 | Mouse | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 364 | 7 | 2 | 6 | 2.6 | CCS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(-c3ccccc3)no2)CC1 | nan | |||
| CHEMBL3666780 | 128478 | 0 | None | - | 0 | Mouse | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 364 | 7 | 2 | 6 | 2.6 | CCS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(-c3ccccc3)no2)CC1 | nan | |||
| 11793187 | 28218 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 328 | 2 | 1 | 3 | 4.2 | Cc1nc(N2CCCCC2)c2[nH]c(-c3cc(F)cc(F)c3)cc2n1 | 10.1021/jm000269t | |||
| CHEMBL137378 | 28218 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 328 | 2 | 1 | 3 | 4.2 | Cc1nc(N2CCCCC2)c2[nH]c(-c3cc(F)cc(F)c3)cc2n1 | 10.1021/jm000269t | |||
| 10266238 | 170805 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 290 | 2 | 1 | 3 | 3.7 | Cc1nc(N2CC=CCC2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | |||
| CHEMBL445328 | 170805 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 290 | 2 | 1 | 3 | 3.7 | Cc1nc(N2CC=CCC2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | |||
| 68059511 | 125452 | 0 | None | - | 0 | Mouse | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 463 | 5 | 1 | 6 | 5.2 | CC(C)n1c(=O)oc2cc(NC(=O)[C@H]3CC[C@@H](Oc4cc(C(F)(F)F)ccn4)CC3)ccc21 | nan | |||
| CHEMBL3646146 | 125452 | 0 | None | - | 0 | Mouse | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 463 | 5 | 1 | 6 | 5.2 | CC(C)n1c(=O)oc2cc(NC(=O)[C@H]3CC[C@@H](Oc4cc(C(F)(F)F)ccn4)CC3)ccc21 | nan | |||
| 66575661 | 76894 | 0 | None | - | 0 | Mouse | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 376 | 5 | 1 | 3 | 5.1 | CCCS(=O)(=O)c1ccc2[nH]c(-c3cccc(-c4ccccc4)c3)nc2c1 | 10.1016/j.bmcl.2012.07.020 | |||
| CHEMBL2070140 | 76894 | 0 | None | - | 0 | Mouse | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 376 | 5 | 1 | 3 | 5.1 | CCCS(=O)(=O)c1ccc2[nH]c(-c3cccc(-c4ccccc4)c3)nc2c1 | 10.1016/j.bmcl.2012.07.020 | |||
| 56835982 | 81343 | 0 | None | - | 0 | Mouse | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 371 | 4 | 1 | 5 | 2.9 | CCS(=O)(=O)c1ccc2[nH]c(N3CCOC(c4ccccc4)C3)nc2c1 | 10.1016/j.bmcl.2012.09.025 | |||
| CHEMBL2159162 | 81343 | 0 | None | - | 0 | Mouse | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 371 | 4 | 1 | 5 | 2.9 | CCS(=O)(=O)c1ccc2[nH]c(N3CCOC(c4ccccc4)C3)nc2c1 | 10.1016/j.bmcl.2012.09.025 | |||
| 56835982 | 81343 | 0 | None | - | 0 | Mouse | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 371 | 4 | 1 | 5 | 2.9 | CCS(=O)(=O)c1ccc2[nH]c(N3CCOC(c4ccccc4)C3)nc2c1 | 10.1016/j.bmcl.2012.11.005 | |||
| CHEMBL2159162 | 81343 | 0 | None | - | 0 | Mouse | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 371 | 4 | 1 | 5 | 2.9 | CCS(=O)(=O)c1ccc2[nH]c(N3CCOC(c4ccccc4)C3)nc2c1 | 10.1016/j.bmcl.2012.11.005 | |||
| 56649677 | 76891 | 0 | None | - | 0 | Mouse | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 362 | 4 | 1 | 3 | 4.7 | CCS(=O)(=O)c1ccc2[nH]c(-c3cccc(-c4ccccc4)c3)nc2c1 | 10.1016/j.bmcl.2012.07.020 | |||
| CHEMBL2070137 | 76891 | 0 | None | - | 0 | Mouse | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 362 | 4 | 1 | 3 | 4.7 | CCS(=O)(=O)c1ccc2[nH]c(-c3cccc(-c4ccccc4)c3)nc2c1 | 10.1016/j.bmcl.2012.07.020 | |||
| 9868487 | 202787 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 452 | 4 | 2 | 6 | 4.2 | O=C(CN1CCC(n2c(O)nc3ccccc32)CC1)Nc1ccc2c(c1)-c1ccccc1C2=O | 10.1016/s0960-894x(01)00448-6 | |||
| CHEMBL62166 | 202787 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 452 | 4 | 2 | 6 | 4.2 | O=C(CN1CCC(n2c(O)nc3ccccc32)CC1)Nc1ccc2c(c1)-c1ccccc1C2=O | 10.1016/s0960-894x(01)00448-6 | |||
| 9868487 | 202787 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 452 | 4 | 2 | 6 | 4.2 | O=C(CN1CCC(n2c(O)nc3ccccc32)CC1)Nc1ccc2c(c1)-c1ccccc1C2=O | 10.1021/jm980521l | |||
| CHEMBL62166 | 202787 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 452 | 4 | 2 | 6 | 4.2 | O=C(CN1CCC(n2c(O)nc3ccccc32)CC1)Nc1ccc2c(c1)-c1ccccc1C2=O | 10.1021/jm980521l | |||
| 10736124 | 28311 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 306 | 2 | 1 | 3 | 4.2 | Cc1ccc(-c2cc3[nH]c(C)nc(N4CCCCC4)c-3n2)cc1 | 10.1021/jm000269t | |||
| CHEMBL137449 | 28311 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 306 | 2 | 1 | 3 | 4.2 | Cc1ccc(-c2cc3[nH]c(C)nc(N4CCCCC4)c-3n2)cc1 | 10.1021/jm000269t | |||
| 10040233 | 119213 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 296 | 2 | 1 | 4 | 3.8 | Cc1nc(N2CCCCC2)c2nc(-c3ccc(C)o3)cc-2[nH]1 | 10.1021/jm000269t | |||
| CHEMBL343318 | 119213 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 296 | 2 | 1 | 4 | 3.8 | Cc1nc(N2CCCCC2)c2nc(-c3ccc(C)o3)cc-2[nH]1 | 10.1021/jm000269t | |||
| 89986727 | 128493 | 0 | None | - | 0 | Mouse | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 374 | 7 | 2 | 6 | 2.7 | CCS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(C3(F)CCCC3)no2)CC1 | nan | |||
| CHEMBL3666794 | 128493 | 0 | None | - | 0 | Mouse | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 374 | 7 | 2 | 6 | 2.7 | CCS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(C3(F)CCCC3)no2)CC1 | nan | |||
| 10915401 | 205147 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 361 | 6 | 1 | 3 | 5.0 | CC(Cc1ccncc1)N(C)C(=O)Nc1ccc(Oc2ccccc2)cc1 | 10.1021/jm0004547 | |||
| CHEMBL78089 | 205147 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 361 | 6 | 1 | 3 | 5.0 | CC(Cc1ccncc1)N(C)C(=O)Nc1ccc(Oc2ccccc2)cc1 | 10.1021/jm0004547 | |||
| 70697153 | 76901 | 0 | None | - | 0 | Mouse | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 380 | 4 | 1 | 3 | 4.8 | CCS(=O)(=O)c1ccc2[nH]c(-c3cc(-c4ccccc4)ccc3F)nc2c1 | 10.1016/j.bmcl.2012.07.020 | |||
| CHEMBL2070147 | 76901 | 0 | None | - | 0 | Mouse | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 380 | 4 | 1 | 3 | 4.8 | CCS(=O)(=O)c1ccc2[nH]c(-c3cc(-c4ccccc4)ccc3F)nc2c1 | 10.1016/j.bmcl.2012.07.020 | |||
| 10030142 | 58154 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 537 | 10 | 3 | 6 | 3.7 | COc1ccc2c(c1)C(O)(CNCC1CCN(CCNS(=O)(=O)c3cccc4ccccc34)CC1)CCC2 | 10.1016/s0960-894x(02)00018-5 | |||
| CHEMBL167991 | 58154 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 537 | 10 | 3 | 6 | 3.7 | COc1ccc2c(c1)C(O)(CNCC1CCN(CCNS(=O)(=O)c3cccc4ccccc34)CC1)CCC2 | 10.1016/s0960-894x(02)00018-5 | |||
| 70684603 | 76909 | 0 | None | - | 0 | Mouse | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 363 | 4 | 1 | 4 | 4.1 | CCS(=O)(=O)c1ccc2[nH]c(-c3cc(-c4ccccc4)ccn3)nc2c1 | 10.1016/j.bmcl.2012.07.020 | |||
| CHEMBL2070155 | 76909 | 0 | None | - | 0 | Mouse | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 363 | 4 | 1 | 4 | 4.1 | CCS(=O)(=O)c1ccc2[nH]c(-c3cc(-c4ccccc4)ccn3)nc2c1 | 10.1016/j.bmcl.2012.07.020 | |||
| 68601225 | 124402 | 0 | None | - | 0 | Mouse | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 453 | 5 | 1 | 6 | 5.3 | CC(C)n1c(=O)oc2cc(NC(=O)[C@H]3CC[C@@H](Oc4cc(Cl)ccc4C#N)CC3)ccc21 | nan | |||
| CHEMBL3639450 | 124402 | 0 | None | - | 0 | Mouse | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 453 | 5 | 1 | 6 | 5.3 | CC(C)n1c(=O)oc2cc(NC(=O)[C@H]3CC[C@@H](Oc4cc(Cl)ccc4C#N)CC3)ccc21 | nan | |||
| 18004895 | 187680 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 463 | 3 | 1 | 5 | 3.5 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ncc(-c4ccccc4)cn3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | |||
| CHEMBL495169 | 187680 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 463 | 3 | 1 | 5 | 3.5 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ncc(-c4ccccc4)cn3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | |||
| 18004895 | 187680 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 463 | 3 | 1 | 5 | 3.5 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ncc(-c4ccccc4)cn3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.02.035 | |||
| CHEMBL495169 | 187680 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 463 | 3 | 1 | 5 | 3.5 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ncc(-c4ccccc4)cn3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.02.035 | |||
| 68598300 | 125454 | 0 | None | - | 0 | Mouse | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 456 | 4 | 1 | 6 | 3.7 | O=C(Nc1ccn(-c2ccccc2F)n1)[C@H]1CC[C@@H](N2c3ccccc3OS2(=O)=O)CC1 | nan | |||
| CHEMBL3646148 | 125454 | 0 | None | - | 0 | Mouse | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 456 | 4 | 1 | 6 | 3.7 | O=C(Nc1ccn(-c2ccccc2F)n1)[C@H]1CC[C@@H](N2c3ccccc3OS2(=O)=O)CC1 | nan | |||
| 44271202 | 59133 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 515 | 4 | 1 | 5 | 4.8 | O=C(Nc1ccc(F)c(C(F)(F)F)c1)C1CCN(C(=O)Cn2c(=O)sc3ccc(Cl)cc32)CC1 | 10.1016/s0960-894x(02)00113-0 | |||
| CHEMBL16986 | 59133 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 515 | 4 | 1 | 5 | 4.8 | O=C(Nc1ccc(F)c(C(F)(F)F)c1)C1CCN(C(=O)Cn2c(=O)sc3ccc(Cl)cc32)CC1 | 10.1016/s0960-894x(02)00113-0 | |||
| 44271276 | 59955 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 471 | 5 | 1 | 6 | 3.8 | CC(=O)c1cccc(NC(=O)C2CCN(C(=O)Cn3c(=O)sc4ccc(Cl)cc43)CC2)c1 | 10.1016/s0960-894x(02)00113-0 | |||
| CHEMBL17327 | 59955 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 471 | 5 | 1 | 6 | 3.8 | CC(=O)c1cccc(NC(=O)C2CCN(C(=O)Cn3c(=O)sc4ccc(Cl)cc43)CC2)c1 | 10.1016/s0960-894x(02)00113-0 | |||
| 71454968 | 81337 | 0 | None | - | 0 | Mouse | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 385 | 5 | 1 | 5 | 3.3 | CCCS(=O)(=O)c1ccc2[nH]c(N3CCOC(c4ccccc4)C3)nc2c1 | 10.1016/j.bmcl.2012.09.025 | |||
| CHEMBL2159156 | 81337 | 0 | None | - | 0 | Mouse | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 385 | 5 | 1 | 5 | 3.3 | CCCS(=O)(=O)c1ccc2[nH]c(N3CCOC(c4ccccc4)C3)nc2c1 | 10.1016/j.bmcl.2012.09.025 | |||
| 91755094 | 128497 | 0 | None | - | 0 | Mouse | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 406 | 7 | 2 | 6 | 3.1 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(C3(C)CC(F)(F)C3)no2)CC1 | nan | |||
| CHEMBL3666798 | 128497 | 0 | None | - | 0 | Mouse | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 406 | 7 | 2 | 6 | 3.1 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(C3(C)CC(F)(F)C3)no2)CC1 | nan | |||
| 9930807 | 197600 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 399 | 3 | 1 | 5 | 4.3 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ncc(-c4ccccc4)cn3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.07.103 | |||
| CHEMBL570633 | 197600 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 399 | 3 | 1 | 5 | 4.3 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ncc(-c4ccccc4)cn3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.07.103 | |||
| 89986736 | 128501 | 0 | None | - | 0 | Mouse | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 420 | 7 | 2 | 6 | 3.0 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(C(F)(F)C(F)(F)F)no2)CC1 | nan | |||
| CHEMBL3666801 | 128501 | 0 | None | - | 0 | Mouse | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 420 | 7 | 2 | 6 | 3.0 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(C(F)(F)C(F)(F)F)no2)CC1 | nan | |||
| 68606925 | 125441 | 0 | None | - | 0 | Mouse | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 389 | 5 | 2 | 4 | 4.3 | O=C(N[C@H]1CC[C@@H](C(=O)Nc2ccc(-c3ccccc3)cc2)CC1)c1ccon1 | nan | |||
| CHEMBL3646135 | 125441 | 0 | None | - | 0 | Mouse | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 389 | 5 | 2 | 4 | 4.3 | O=C(N[C@H]1CC[C@@H](C(=O)Nc2ccc(-c3ccccc3)cc2)CC1)c1ccon1 | nan | |||
| 9908945 | 193062 | 0 | None | - | 0 | Rat | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 400 | 2 | 1 | 5 | 3.8 | O=C1OC2(CCN(C(=O)Nc3ncc(-c4ccccc4)cn3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | |||
| CHEMBL522388 | 193062 | 0 | None | - | 0 | Rat | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 400 | 2 | 1 | 5 | 3.8 | O=C1OC2(CCN(C(=O)Nc3ncc(-c4ccccc4)cn3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | |||
| 68059308 | 125451 | 0 | None | - | 0 | Mouse | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 487 | 5 | 1 | 6 | 5.6 | CC(C)n1c(=O)oc2cc(NC(=O)[C@H]3CC[C@@H](Oc4cc(C(F)(F)F)ccc4C#N)CC3)ccc21 | nan | |||
| CHEMBL3646145 | 125451 | 0 | None | - | 0 | Mouse | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 487 | 5 | 1 | 6 | 5.6 | CC(C)n1c(=O)oc2cc(NC(=O)[C@H]3CC[C@@H](Oc4cc(C(F)(F)F)ccc4C#N)CC3)ccc21 | nan | |||
| 9957190 | 198212 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 489 | 4 | 1 | 4 | 4.3 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(C(=O)c4ccccc4)cc3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | |||
| CHEMBL575214 | 198212 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 489 | 4 | 1 | 4 | 4.3 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(C(=O)c4ccccc4)cc3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | |||
| 68594586 | 125453 | 0 | None | - | 0 | Mouse | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 414 | 5 | 1 | 5 | 4.6 | O=C(Nc1ccn(-c2ccccc2F)n1)[C@H]1CC[C@@H](Oc2cc(Cl)ccn2)CC1 | nan | |||
| CHEMBL3646147 | 125453 | 0 | None | - | 0 | Mouse | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 414 | 5 | 1 | 5 | 4.6 | O=C(Nc1ccn(-c2ccccc2F)n1)[C@H]1CC[C@@H](Oc2cc(Cl)ccn2)CC1 | nan | |||
| 44583541 | 193301 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 423 | 2 | 1 | 5 | 4.7 | O=C1OC2(CCN(C(=O)Nc3cc(-c4ccc(Cl)cc4)no3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | |||
| CHEMBL524085 | 193301 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 423 | 2 | 1 | 5 | 4.7 | O=C1OC2(CCN(C(=O)Nc3cc(-c4ccc(Cl)cc4)no3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | |||
| 10786956 | 27797 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 360 | 2 | 1 | 3 | 4.9 | Cc1nc(N2CCCCC2)c2[nH]c(-c3ccc(C(F)(F)F)cc3)cc2n1 | 10.1021/jm000269t | |||
| CHEMBL137086 | 27797 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 360 | 2 | 1 | 3 | 4.9 | Cc1nc(N2CCCCC2)c2[nH]c(-c3ccc(C(F)(F)F)cc3)cc2n1 | 10.1021/jm000269t | |||
| 9882119 | 118564 | 1 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 278 | 2 | 1 | 3 | 3.5 | Cc1nc(N2CCCC2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | |||
| CHEMBL341563 | 118564 | 1 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 278 | 2 | 1 | 3 | 3.5 | Cc1nc(N2CCCC2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | |||
| 89986726 | 128491 | 0 | None | - | 0 | Mouse | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 434 | 7 | 2 | 6 | 4.1 | CC(C)(c1ccccc1)c1noc(N[C@H]2CC[C@H](CNS(=O)(=O)C(C)(C)C)CC2)n1 | nan | |||
| CHEMBL3666792 | 128491 | 0 | None | - | 0 | Mouse | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 434 | 7 | 2 | 6 | 4.1 | CC(C)(c1ccccc1)c1noc(N[C@H]2CC[C@H](CNS(=O)(=O)C(C)(C)C)CC2)n1 | nan | |||
| 10052173 | 57573 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 513 | 6 | 1 | 6 | 4.5 | COc1ccc2c(c1)CC(NCC1CCN(C(=O)Cn3c(=O)sc4ccc(Cl)cc43)CC1)CCC2 | 10.1016/s0960-894x(02)00018-5 | |||
| CHEMBL166606 | 57573 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 513 | 6 | 1 | 6 | 4.5 | COc1ccc2c(c1)CC(NCC1CCN(C(=O)Cn3c(=O)sc4ccc(Cl)cc43)CC1)CCC2 | 10.1016/s0960-894x(02)00018-5 | |||
| 44271202 | 59133 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 515 | 4 | 1 | 5 | 4.8 | O=C(Nc1ccc(F)c(C(F)(F)F)c1)C1CCN(C(=O)Cn2c(=O)sc3ccc(Cl)cc32)CC1 | 10.1016/s0960-894x(02)00113-0 | |||
| CHEMBL16986 | 59133 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 515 | 4 | 1 | 5 | 4.8 | O=C(Nc1ccc(F)c(C(F)(F)F)c1)C1CCN(C(=O)Cn2c(=O)sc3ccc(Cl)cc32)CC1 | 10.1016/s0960-894x(02)00113-0 | |||
| 68601090 | 125439 | 0 | None | - | 0 | Mouse | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 407 | 5 | 2 | 4 | 4.4 | O=C(N[C@H]1CC[C@@H](C(=O)Nc2ccc(-c3ccccc3F)cc2)CC1)c1ccon1 | nan | |||
| CHEMBL3646133 | 125439 | 0 | None | - | 0 | Mouse | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 407 | 5 | 2 | 4 | 4.4 | O=C(N[C@H]1CC[C@@H](C(=O)Nc2ccc(-c3ccccc3F)cc2)CC1)c1ccon1 | nan | |||
| 23442592 | 169337 | 0 | None | - | 0 | Mouse | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 459 | 10 | 2 | 7 | 3.8 | COc1ccc(C)cc1S(=O)(=O)NCCCNc1ncc(C(=O)c2ccccc2C)s1 | 10.1016/j.bmcl.2005.05.009 | |||
| CHEMBL441850 | 169337 | 0 | None | - | 0 | Mouse | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 459 | 10 | 2 | 7 | 3.8 | COc1ccc(C)cc1S(=O)(=O)NCCCNc1ncc(C(=O)c2ccccc2C)s1 | 10.1016/j.bmcl.2005.05.009 | |||
| 44271382 | 98527 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 479 | 4 | 1 | 5 | 4.7 | O=C(Nc1cccc2ccccc12)C1CCN(C(=O)Cn2c(=O)sc3ccc(Cl)cc32)CC1 | 10.1016/s0960-894x(02)00113-0 | |||
| CHEMBL276283 | 98527 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 479 | 4 | 1 | 5 | 4.7 | O=C(Nc1cccc2ccccc12)C1CCN(C(=O)Cn2c(=O)sc3ccc(Cl)cc32)CC1 | 10.1016/s0960-894x(02)00113-0 | |||
| 71458603 | 81347 | 0 | None | - | 0 | Mouse | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 411 | 3 | 1 | 5 | 3.4 | O=S(=O)(c1ccc2[nH]c(N3CCOC(c4ccccc4)C3)nc2c1)C(F)(F)F | 10.1016/j.bmcl.2012.09.025 | |||
| CHEMBL2159166 | 81347 | 0 | None | - | 0 | Mouse | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 411 | 3 | 1 | 5 | 3.4 | O=S(=O)(c1ccc2[nH]c(N3CCOC(c4ccccc4)C3)nc2c1)C(F)(F)F | 10.1016/j.bmcl.2012.09.025 | |||
| 70675731 | 128489 | 0 | None | - | 0 | Mouse | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 397 | 7 | 2 | 7 | 2.6 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(-c3ccc(F)cn3)no2)CC1 | nan | |||
| CHEMBL3666790 | 128489 | 0 | None | - | 0 | Mouse | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 397 | 7 | 2 | 7 | 2.6 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(-c3ccc(F)cn3)no2)CC1 | nan | |||
| 89986749 | 128494 | 0 | None | - | 0 | Mouse | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 420 | 6 | 2 | 6 | 3.4 | CC1(c2noc(N[C@H]3CC[C@H](CNS(=O)(=O)C(C)(C)C)CC3)n2)CC(F)(F)C1 | nan | |||
| CHEMBL3666795 | 128494 | 0 | None | - | 0 | Mouse | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 420 | 6 | 2 | 6 | 3.4 | CC1(c2noc(N[C@H]3CC[C@H](CNS(=O)(=O)C(C)(C)C)CC3)n2)CC(F)(F)C1 | nan | |||
| 71458605 | 81352 | 0 | None | - | 0 | Mouse | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 385 | 4 | 1 | 5 | 3.2 | CCS(=O)(=O)c1ccc2[nH]c(N3CCOC(c4ccc(C)cc4)C3)nc2c1 | 10.1016/j.bmcl.2012.09.025 | |||
| CHEMBL2159171 | 81352 | 0 | None | - | 0 | Mouse | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 385 | 4 | 1 | 5 | 3.2 | CCS(=O)(=O)c1ccc2[nH]c(N3CCOC(c4ccc(C)cc4)C3)nc2c1 | 10.1016/j.bmcl.2012.09.025 | |||
| 70675705 | 128479 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 382 | 7 | 2 | 6 | 2.8 | CCS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(-c3cccc(F)c3)no2)CC1 | nan | |||
| CHEMBL3666781 | 128479 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 382 | 7 | 2 | 6 | 2.8 | CCS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(-c3cccc(F)c3)no2)CC1 | nan | |||
| 18004997 | 193087 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 462 | 3 | 1 | 4 | 4.1 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(-c4ccccc4)nc3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | |||
| CHEMBL522540 | 193087 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 462 | 3 | 1 | 4 | 4.1 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(-c4ccccc4)nc3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | |||
| 18004997 | 193087 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 462 | 3 | 1 | 4 | 4.1 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(-c4ccccc4)nc3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.02.035 | |||
| CHEMBL522540 | 193087 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 462 | 3 | 1 | 4 | 4.1 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(-c4ccccc4)nc3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.02.035 | |||
| 44583539 | 193424 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 423 | 2 | 1 | 5 | 4.7 | O=C1OC2(CCN(C(=O)Nc3cc(-c4ccccc4Cl)no3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | |||
| CHEMBL526084 | 193424 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 423 | 2 | 1 | 5 | 4.7 | O=C1OC2(CCN(C(=O)Nc3cc(-c4ccccc4Cl)no3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | |||
| 9908374 | 187747 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 389 | 2 | 1 | 5 | 4.0 | O=C1OC2(CCN(C(=O)Nc3cc(-c4ccccc4)no3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | |||
| CHEMBL495580 | 187747 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 389 | 2 | 1 | 5 | 4.0 | O=C1OC2(CCN(C(=O)Nc3cc(-c4ccccc4)no3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | |||
| 9869232 | 188043 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 468 | 2 | 1 | 5 | 4.9 | O=C1OC2(CCN(C(=O)Nc3ncc(-c4cccc(C(F)(F)F)c4)cn3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | |||
| CHEMBL497641 | 188043 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 468 | 2 | 1 | 5 | 4.9 | O=C1OC2(CCN(C(=O)Nc3ncc(-c4cccc(C(F)(F)F)c4)cn3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | |||
| 18004896 | 187234 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 461 | 3 | 1 | 3 | 4.7 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(-c4ccccc4)cc3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.02.035 | |||
| CHEMBL492568 | 187234 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 461 | 3 | 1 | 3 | 4.7 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(-c4ccccc4)cc3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.02.035 | |||
| 71462130 | 81351 | 0 | None | - | 0 | Mouse | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 405 | 4 | 1 | 5 | 3.6 | CCS(=O)(=O)c1ccc2[nH]c(N3CCOC(c4ccc(Cl)cc4)C3)nc2c1 | 10.1016/j.bmcl.2012.09.025 | |||
| CHEMBL2159170 | 81351 | 0 | None | - | 0 | Mouse | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 405 | 4 | 1 | 5 | 3.6 | CCS(=O)(=O)c1ccc2[nH]c(N3CCOC(c4ccc(Cl)cc4)C3)nc2c1 | 10.1016/j.bmcl.2012.09.025 | |||
| 23442647 | 67155 | 0 | None | - | 0 | Mouse | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 517 | 9 | 2 | 6 | 5.1 | Cc1ccccc1C(=O)c1cnc(NCCCNS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)s1 | 10.1016/j.bmcl.2005.05.009 | |||
| CHEMBL187607 | 67155 | 0 | None | - | 0 | Mouse | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 517 | 9 | 2 | 6 | 5.1 | Cc1ccccc1C(=O)c1cnc(NCCCNS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)s1 | 10.1016/j.bmcl.2005.05.009 | |||
| 44271207 | 98908 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 521 | 6 | 1 | 6 | 5.4 | O=C(Nc1ccc(Oc2ccccc2)cc1)C1CCN(C(=O)Cn2c(=O)sc3ccc(Cl)cc32)CC1 | 10.1016/s0960-894x(02)00113-0 | |||
| CHEMBL279309 | 98908 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 521 | 6 | 1 | 6 | 5.4 | O=C(Nc1ccc(Oc2ccccc2)cc1)C1CCN(C(=O)Cn2c(=O)sc3ccc(Cl)cc32)CC1 | 10.1016/s0960-894x(02)00113-0 | |||
| 70675727 | 128484 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 400 | 7 | 2 | 6 | 2.9 | CCS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(-c3ccc(F)c(F)c3)no2)CC1 | nan | |||
| CHEMBL3666786 | 128484 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 400 | 7 | 2 | 6 | 2.9 | CCS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(-c3ccc(F)c(F)c3)no2)CC1 | nan | |||
| 70675709 | 128483 | 0 | None | - | 0 | Mouse | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 368 | 6 | 2 | 6 | 2.4 | CS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(-c3cccc(F)c3)no2)CC1 | nan | |||
| CHEMBL3666785 | 128483 | 0 | None | - | 0 | Mouse | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 368 | 6 | 2 | 6 | 2.4 | CS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(-c3cccc(F)c3)no2)CC1 | nan | |||
| 18004939 | 193240 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 463 | 3 | 1 | 5 | 3.5 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3cnc(-c4ccccc4)nc3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | |||
| CHEMBL523715 | 193240 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 463 | 3 | 1 | 5 | 3.5 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3cnc(-c4ccccc4)nc3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | |||
| 18004939 | 193240 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 463 | 3 | 1 | 5 | 3.5 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3cnc(-c4ccccc4)nc3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.02.035 | |||
| CHEMBL523715 | 193240 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 463 | 3 | 1 | 5 | 3.5 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3cnc(-c4ccccc4)nc3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.02.035 | |||
| 11349780 | 199726 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 389 | 3 | 1 | 7 | 2.9 | O=C1O[C@]2(CC[C@H](C(=O)Nc3cnn(-c4ccccc4)n3)CC2)c2cnccc21 | 10.1016/j.bmc.2009.08.019 | |||
| CHEMBL593465 | 199726 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 389 | 3 | 1 | 7 | 2.9 | O=C1O[C@]2(CC[C@H](C(=O)Nc3cnn(-c4ccccc4)n3)CC2)c2cnccc21 | 10.1016/j.bmc.2009.08.019 | |||
| 44271385 | 60552 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 533 | 6 | 1 | 6 | 4.8 | O=C(c1ccccc1)c1cccc(NC(=O)C2CCN(C(=O)Cn3c(=O)sc4ccc(Cl)cc43)CC2)c1 | 10.1016/s0960-894x(02)00113-0 | |||
| CHEMBL17590 | 60552 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 533 | 6 | 1 | 6 | 4.8 | O=C(c1ccccc1)c1cccc(NC(=O)C2CCN(C(=O)Cn3c(=O)sc4ccc(Cl)cc43)CC2)c1 | 10.1016/s0960-894x(02)00113-0 | |||
| 70675730 | 128487 | 0 | None | - | 0 | Mouse | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 384 | 6 | 2 | 6 | 2.9 | CS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(-c3cccc(Cl)c3)no2)CC1 | nan | |||
| CHEMBL3666789 | 128487 | 0 | None | - | 0 | Mouse | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 384 | 6 | 2 | 6 | 2.9 | CS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(-c3cccc(Cl)c3)no2)CC1 | nan | |||
| 70675732 | 128490 | 0 | None | - | 0 | Mouse | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 411 | 6 | 2 | 7 | 3.0 | CC(C)(C)S(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(-c3ccc(F)cn3)no2)CC1 | nan | |||
| CHEMBL3666791 | 128490 | 0 | None | - | 0 | Mouse | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 411 | 6 | 2 | 7 | 3.0 | CC(C)(C)S(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(-c3ccc(F)cn3)no2)CC1 | nan | |||
| 10927348 | 169385 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 394 | 6 | 1 | 2 | 6.2 | CC(Cc1ccc(Cl)cc1)N(C)C(=O)Nc1ccc(Oc2ccccc2)cc1 | 10.1021/jm0004547 | |||
| CHEMBL442182 | 169385 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 394 | 6 | 1 | 2 | 6.2 | CC(Cc1ccc(Cl)cc1)N(C)C(=O)Nc1ccc(Oc2ccccc2)cc1 | 10.1021/jm0004547 | |||
| 9889156 | 192607 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 434 | 2 | 1 | 5 | 4.5 | O=C1OC2(CCN(C(=O)Nc3ncc(-c4cccc(Cl)c4)cn3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | |||
| CHEMBL521545 | 192607 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 434 | 2 | 1 | 5 | 4.5 | O=C1OC2(CCN(C(=O)Nc3ncc(-c4cccc(Cl)c4)cn3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | |||
| 11407098 | 200070 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 406 | 3 | 1 | 6 | 3.6 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ccn(-c4ccc(F)cc4)n3)CC2)c2cnccc21 | 10.1016/j.bmc.2009.08.019 | |||
| CHEMBL595790 | 200070 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 406 | 3 | 1 | 6 | 3.6 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ccn(-c4ccc(F)cc4)n3)CC2)c2cnccc21 | 10.1016/j.bmc.2009.08.019 | |||
| 18004955 | 187569 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 462 | 3 | 1 | 4 | 4.1 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(-c4ccccc4)cn3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | |||
| CHEMBL494593 | 187569 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 462 | 3 | 1 | 4 | 4.1 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(-c4ccccc4)cn3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | |||
| 18004955 | 187569 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 462 | 3 | 1 | 4 | 4.1 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(-c4ccccc4)cn3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.02.035 | |||
| CHEMBL494593 | 187569 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 462 | 3 | 1 | 4 | 4.1 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(-c4ccccc4)cn3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.02.035 | |||
| 12108781 | 187690 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 463 | 3 | 1 | 5 | 3.5 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3cnc(-c4ccccc4)cn3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | |||
| CHEMBL495201 | 187690 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 463 | 3 | 1 | 5 | 3.5 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3cnc(-c4ccccc4)cn3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | |||
| 12108781 | 187690 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 463 | 3 | 1 | 5 | 3.5 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3cnc(-c4ccccc4)cn3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.02.035 | |||
| CHEMBL495201 | 187690 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 463 | 3 | 1 | 5 | 3.5 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3cnc(-c4ccccc4)cn3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.02.035 | |||
| 44583438 | 192605 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 418 | 2 | 1 | 5 | 4.0 | O=C1OC2(CCN(C(=O)Nc3ncc(-c4ccccc4F)cn3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | |||
| CHEMBL521537 | 192605 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 418 | 2 | 1 | 5 | 4.0 | O=C1OC2(CCN(C(=O)Nc3ncc(-c4ccccc4F)cn3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | |||
| 135543802 | 204043 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 467 | 6 | 3 | 5 | 4.0 | O=S(=O)(NC[C@H]1CC[C@H](CNC2=NC3CCc4cc(O)ccc4C3C2)CC1)c1ccccc1 | 10.1016/s0960-894x(99)00676-9 | |||
| CHEMBL69881 | 204043 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 467 | 6 | 3 | 5 | 4.0 | O=S(=O)(NC[C@H]1CC[C@H](CNC2=NC3CCc4cc(O)ccc4C3C2)CC1)c1ccccc1 | 10.1016/s0960-894x(99)00676-9 | |||
| 10926406 | 14043 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 357 | 5 | 1 | 3 | 5.3 | CC(C)n1c2ccccc2c2cc(NC(=O)CCc3ccncc3)ccc21 | 10.1021/jm011125x | |||
| CHEMBL119743 | 14043 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 357 | 5 | 1 | 3 | 5.3 | CC(C)n1c2ccccc2c2cc(NC(=O)CCc3ccncc3)ccc21 | 10.1021/jm011125x | |||
| 11111992 | 110589 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 393 | 5 | 1 | 5 | 3.6 | CS(=O)(=O)n1c2ccccc2c2cc(NC(=O)CCc3ccncc3)ccc21 | 10.1021/jm011125x | |||
| CHEMBL325486 | 110589 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 393 | 5 | 1 | 5 | 3.6 | CS(=O)(=O)n1c2ccccc2c2cc(NC(=O)CCc3ccncc3)ccc21 | 10.1021/jm011125x | |||
| 44583540 | 188038 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 423 | 2 | 1 | 5 | 4.7 | O=C1OC2(CCN(C(=O)Nc3cc(-c4cccc(Cl)c4)no3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | |||
| CHEMBL497621 | 188038 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 423 | 2 | 1 | 5 | 4.7 | O=C1OC2(CCN(C(=O)Nc3cc(-c4cccc(Cl)c4)no3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | |||
| 44461023 | 205659 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 429 | 4 | 1 | 5 | 4.1 | O=C(C1CCOC1)N1CCC(CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
| CHEMBL81994 | 205659 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 429 | 4 | 1 | 5 | 4.1 | O=C(C1CCOC1)N1CCC(CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
| 44379101 | 119927 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 543 | 6 | 2 | 7 | 3.3 | COc1ccc2c(c1)C(O)(CNC(=O)C1CCN(C(=O)Cn3c(=O)sc4ccc(Cl)cc43)CC1)CCC2 | 10.1016/s0960-894x(02)00018-5 | |||
| CHEMBL349486 | 119927 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 543 | 6 | 2 | 7 | 3.3 | COc1ccc2c(c1)C(O)(CNC(=O)C1CCN(C(=O)Cn3c(=O)sc4ccc(Cl)cc43)CC1)CCC2 | 10.1016/s0960-894x(02)00018-5 | |||
| 44344243 | 113315 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 526 | 12 | 4 | 6 | 3.6 | N[C@@H](CCCCNS(=O)(=O)c1ccccc1F)CNC1CCc2cc(O)ccc2C1Cc1cccnc1 | 10.1021/jm990468g | |||
| CHEMBL331551 | 113315 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 526 | 12 | 4 | 6 | 3.6 | N[C@@H](CCCCNS(=O)(=O)c1ccccc1F)CNC1CCc2cc(O)ccc2C1Cc1cccnc1 | 10.1021/jm990468g | |||
| 20616896 | 125046 | 0 | None | - | 0 | Mouse | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 421 | 9 | 2 | 7 | 3.5 | Cc1ccccc1C(=O)c1cnc(NCCCNS(=O)(=O)c2cccs2)s1 | 10.1016/j.bmcl.2005.05.009 | |||
| CHEMBL364386 | 125046 | 0 | None | - | 0 | Mouse | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 421 | 9 | 2 | 7 | 3.5 | Cc1ccccc1C(=O)c1cnc(NCCCNS(=O)(=O)c2cccs2)s1 | 10.1016/j.bmcl.2005.05.009 | |||
| 71454972 | 81354 | 0 | None | - | 0 | Mouse | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 369 | 5 | 1 | 4 | 3.7 | CCCS(=O)(=O)c1ccc2[nH]c(N3CCC(c4ccccc4)C3)nc2c1 | 10.1016/j.bmcl.2012.09.025 | |||
| CHEMBL2159174 | 81354 | 0 | None | - | 0 | Mouse | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 369 | 5 | 1 | 4 | 3.7 | CCCS(=O)(=O)c1ccc2[nH]c(N3CCC(c4ccccc4)C3)nc2c1 | 10.1016/j.bmcl.2012.09.025 | |||
| 70675757 | 128498 | 0 | None | - | 0 | Mouse | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 434 | 6 | 2 | 6 | 3.4 | CC(C)(C)S(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(C(F)(F)C(F)(F)F)no2)CC1 | nan | |||
| CHEMBL3666799 | 128498 | 0 | None | - | 0 | Mouse | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 434 | 6 | 2 | 6 | 3.4 | CC(C)(C)S(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(C(F)(F)C(F)(F)F)no2)CC1 | nan | |||
| 71451430 | 81350 | 0 | None | - | 0 | Mouse | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 389 | 4 | 1 | 5 | 3.1 | CCS(=O)(=O)c1ccc2[nH]c(N3CCOC(c4ccc(F)cc4)C3)nc2c1 | 10.1016/j.bmcl.2012.09.025 | |||
| CHEMBL2159169 | 81350 | 0 | None | - | 0 | Mouse | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 389 | 4 | 1 | 5 | 3.1 | CCS(=O)(=O)c1ccc2[nH]c(N3CCOC(c4ccc(F)cc4)C3)nc2c1 | 10.1016/j.bmcl.2012.09.025 | |||
| 9796081 | 115421 | 2 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 292 | 2 | 1 | 3 | 3.9 | Cc1nc(N2CCCCC2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | |||
| CHEMBL335039 | 115421 | 2 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 292 | 2 | 1 | 3 | 3.9 | Cc1nc(N2CCCCC2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | |||
| 68606301 | 125450 | 0 | None | - | 0 | Mouse | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 467 | 5 | 1 | 5 | 5.4 | C[C@H]1CN(c2ccc(NC(=O)[C@H]3CC[C@@H](Oc4cc(Cl)ccc4C#N)CC3)cc2)C[C@@H](C)O1 | nan | |||
| CHEMBL3646144 | 125450 | 0 | None | - | 0 | Mouse | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 467 | 5 | 1 | 5 | 5.4 | C[C@H]1CN(c2ccc(NC(=O)[C@H]3CC[C@@H](Oc4cc(Cl)ccc4C#N)CC3)cc2)C[C@@H](C)O1 | nan | |||
| 9953800 | 187755 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 418 | 2 | 1 | 5 | 4.0 | O=C1OC2(CCN(C(=O)Nc3ncc(-c4cccc(F)c4)cn3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | |||
| CHEMBL495630 | 187755 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 418 | 2 | 1 | 5 | 4.0 | O=C1OC2(CCN(C(=O)Nc3ncc(-c4cccc(F)c4)cn3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | |||
| 44583394 | 187842 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 434 | 2 | 1 | 5 | 4.5 | O=C1OC2(CCN(C(=O)Nc3ncc(-c4ccccc4Cl)cn3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | |||
| CHEMBL496196 | 187842 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 434 | 2 | 1 | 5 | 4.5 | O=C1OC2(CCN(C(=O)Nc3ncc(-c4ccccc4Cl)cn3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | |||
| 44583435 | 193159 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 430 | 3 | 1 | 6 | 3.8 | COc1ccccc1-c1cnc(NC(=O)N2CCC3(CC2)OC(=O)c2ccccc23)nc1 | 10.1016/j.bmcl.2009.05.013 | |||
| CHEMBL523060 | 193159 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 430 | 3 | 1 | 6 | 3.8 | COc1ccccc1-c1cnc(NC(=O)N2CCC3(CC2)OC(=O)c2ccccc23)nc1 | 10.1016/j.bmcl.2009.05.013 | |||
| 44271223 | 98533 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 473 | 6 | 2 | 6 | 2.8 | O=C(NCC(O)c1ccccc1)C1CCN(C(=O)Cn2c(=O)sc3ccc(Cl)cc32)CC1 | 10.1016/s0960-894x(02)00113-0 | |||
| CHEMBL276322 | 98533 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 473 | 6 | 2 | 6 | 2.8 | O=C(NCC(O)c1ccccc1)C1CCN(C(=O)Cn2c(=O)sc3ccc(Cl)cc32)CC1 | 10.1016/s0960-894x(02)00113-0 | |||
| 10685135 | 26324 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 293 | 2 | 2 | 4 | 3.2 | Nc1nc(N2CCCCC2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | |||
| CHEMBL135883 | 26324 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 293 | 2 | 2 | 4 | 3.2 | Nc1nc(N2CCCCC2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | |||
| 9953150 | 187908 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 406 | 2 | 1 | 6 | 3.9 | O=C1OC2(CCN(C(=O)Nc3nsc(-c4ccccc4)n3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | |||
| CHEMBL496621 | 187908 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 406 | 2 | 1 | 6 | 3.9 | O=C1OC2(CCN(C(=O)Nc3nsc(-c4ccccc4)n3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | |||
| 46226641 | 201829 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 405 | 3 | 1 | 6 | 4.4 | O=C1O[C@]2(CC[C@H](C(=O)Nc3csc(-c4ccccc4)n3)CC2)c2cnccc21 | 10.1016/j.bmc.2009.08.019 | |||
| CHEMBL607037 | 201829 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 405 | 3 | 1 | 6 | 4.4 | O=C1O[C@]2(CC[C@H](C(=O)Nc3csc(-c4ccccc4)n3)CC2)c2cnccc21 | 10.1016/j.bmc.2009.08.019 | |||
| 44573574 | 193193 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 441 | 5 | 1 | 3 | 4.4 | CCCCc1ccc(NC(=O)N2CCC3(CC2)CN(S(C)(=O)=O)c2ccccc23)cc1 | 10.1016/j.bmcl.2009.02.035 | |||
| CHEMBL523330 | 193193 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 441 | 5 | 1 | 3 | 4.4 | CCCCc1ccc(NC(=O)N2CCC3(CC2)CN(S(C)(=O)=O)c2ccccc23)cc1 | 10.1016/j.bmcl.2009.02.035 | |||
| 44379095 | 58126 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 541 | 6 | 1 | 6 | 4.3 | COc1ccc2c(c1)CC(CNC(=O)C1CCN(C(=O)Cn3c(=O)sc4ccc(Cl)cc43)CC1)CCC2 | 10.1016/s0960-894x(02)00018-5 | |||
| CHEMBL167709 | 58126 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 541 | 6 | 1 | 6 | 4.3 | COc1ccc2c(c1)CC(CNC(=O)C1CCN(C(=O)Cn3c(=O)sc4ccc(Cl)cc43)CC1)CCC2 | 10.1016/s0960-894x(02)00018-5 | |||
| 44271223 | 98533 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 473 | 6 | 2 | 6 | 2.8 | O=C(NCC(O)c1ccccc1)C1CCN(C(=O)Cn2c(=O)sc3ccc(Cl)cc32)CC1 | 10.1016/s0960-894x(02)00113-0 | |||
| CHEMBL276322 | 98533 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 473 | 6 | 2 | 6 | 2.8 | O=C(NCC(O)c1ccccc1)C1CCN(C(=O)Cn2c(=O)sc3ccc(Cl)cc32)CC1 | 10.1016/s0960-894x(02)00113-0 | |||
| 18004944 | 198382 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 452 | 3 | 1 | 5 | 3.7 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3cc(-c4ccccc4)no3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | |||
| CHEMBL576727 | 198382 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 452 | 3 | 1 | 5 | 3.7 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3cc(-c4ccccc4)no3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | |||
| 44583463 | 193481 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 468 | 2 | 1 | 5 | 4.9 | O=C1OC2(CCN(C(=O)Nc3ncc(-c4ccccc4C(F)(F)F)cn3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | |||
| CHEMBL526645 | 193481 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 468 | 2 | 1 | 5 | 4.9 | O=C1OC2(CCN(C(=O)Nc3ncc(-c4ccccc4C(F)(F)F)cn3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | |||
| 9952232 | 199969 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 388 | 3 | 1 | 6 | 3.5 | O=C1O[C@]2(CC[C@H](C(=O)Nc3cnn(-c4ccccc4)c3)CC2)c2cccnc21 | 10.1016/j.bmc.2009.08.019 | |||
| CHEMBL595120 | 199969 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 388 | 3 | 1 | 6 | 3.5 | O=C1O[C@]2(CC[C@H](C(=O)Nc3cnn(-c4ccccc4)c3)CC2)c2cccnc21 | 10.1016/j.bmc.2009.08.019 | |||
| 11491176 | 200043 | 38 | None | - | 1 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 406 | 3 | 1 | 6 | 3.6 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ccn(-c4ccccc4F)n3)CC2)c2cnccc21 | 10.1016/j.bmc.2009.08.019 | |||
| CHEMBL595573 | 200043 | 38 | None | - | 1 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 406 | 3 | 1 | 6 | 3.6 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ccn(-c4ccccc4F)n3)CC2)c2cnccc21 | 10.1016/j.bmc.2009.08.019 | |||
| 12108783 | 193294 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 461 | 3 | 1 | 3 | 4.7 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3cccc(-c4ccccc4)c3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.02.035 | |||
| CHEMBL524051 | 193294 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 461 | 3 | 1 | 3 | 4.7 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3cccc(-c4ccccc4)c3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.02.035 | |||
| 44583541 | 193301 | 0 | None | - | 0 | Rat | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 423 | 2 | 1 | 5 | 4.7 | O=C1OC2(CCN(C(=O)Nc3cc(-c4ccc(Cl)cc4)no3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | |||
| CHEMBL524085 | 193301 | 0 | None | - | 0 | Rat | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 423 | 2 | 1 | 5 | 4.7 | O=C1OC2(CCN(C(=O)Nc3cc(-c4ccc(Cl)cc4)no3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | |||
| 1562 | 899 | 13 | None | - | 2 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 475 | 7 | 3 | 6 | 4.6 | Nc1nc(NCC2CCC(CC2)CNS(=O)(=O)c2cccc3c2cccc3)nc2c1cccc2 | 10.1016/j.bmcl.2005.03.052 | |||
| 5312114 | 899 | 13 | None | - | 2 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 475 | 7 | 3 | 6 | 4.6 | Nc1nc(NCC2CCC(CC2)CNS(=O)(=O)c2cccc3c2cccc3)nc2c1cccc2 | 10.1016/j.bmcl.2005.03.052 | |||
| CHEMBL17645 | 899 | 13 | None | - | 2 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 475 | 7 | 3 | 6 | 4.6 | Nc1nc(NCC2CCC(CC2)CNS(=O)(=O)c2cccc3c2cccc3)nc2c1cccc2 | 10.1016/j.bmcl.2005.03.052 | |||
| CHEMBL195380 | 899 | 13 | None | - | 2 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 475 | 7 | 3 | 6 | 4.6 | Nc1nc(NCC2CCC(CC2)CNS(=O)(=O)c2cccc3c2cccc3)nc2c1cccc2 | 10.1016/j.bmcl.2005.03.052 | |||
| 44271289 | 169189 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 493 | 12 | 1 | 5 | 5.2 | CCCCCCCCCCNC(=O)C1CCN(C(=O)Cn2c(=O)sc3ccc(Cl)cc32)CC1 | 10.1016/s0960-894x(02)00113-0 | |||
| CHEMBL440647 | 169189 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 493 | 12 | 1 | 5 | 5.2 | CCCCCCCCCCNC(=O)C1CCN(C(=O)Cn2c(=O)sc3ccc(Cl)cc32)CC1 | 10.1016/s0960-894x(02)00113-0 | |||
| 71453236 | 81344 | 0 | None | - | 0 | Mouse | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 385 | 4 | 1 | 5 | 3.3 | CC(C)S(=O)(=O)c1ccc2[nH]c(N3CCOC(c4ccccc4)C3)nc2c1 | 10.1016/j.bmcl.2012.09.025 | |||
| CHEMBL2159163 | 81344 | 0 | None | - | 0 | Mouse | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 385 | 4 | 1 | 5 | 3.3 | CC(C)S(=O)(=O)c1ccc2[nH]c(N3CCOC(c4ccccc4)C3)nc2c1 | 10.1016/j.bmcl.2012.09.025 | |||
| 70675707 | 128481 | 0 | None | - | 0 | Mouse | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 368 | 6 | 2 | 6 | 2.4 | CS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(-c3ccc(F)cc3)no2)CC1 | nan | |||
| CHEMBL3666783 | 128481 | 0 | None | - | 0 | Mouse | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 368 | 6 | 2 | 6 | 2.4 | CS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(-c3ccc(F)cc3)no2)CC1 | nan | |||
| 45481798 | 198053 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 451 | 3 | 2 | 4 | 3.4 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3cc(-c4ccccc4)n[nH]3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | |||
| CHEMBL574084 | 198053 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 451 | 3 | 2 | 4 | 3.4 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3cc(-c4ccccc4)n[nH]3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | |||
| 1562 | 899 | 13 | None | 2 | 2 | Rat | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 475 | 7 | 3 | 6 | 4.6 | Nc1nc(NCC2CCC(CC2)CNS(=O)(=O)c2cccc3c2cccc3)nc2c1cccc2 | 10.1016/s0960-894x(00)00177-3 | |||
| 5312114 | 899 | 13 | None | 2 | 2 | Rat | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 475 | 7 | 3 | 6 | 4.6 | Nc1nc(NCC2CCC(CC2)CNS(=O)(=O)c2cccc3c2cccc3)nc2c1cccc2 | 10.1016/s0960-894x(00)00177-3 | |||
| CHEMBL17645 | 899 | 13 | None | 2 | 2 | Rat | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 475 | 7 | 3 | 6 | 4.6 | Nc1nc(NCC2CCC(CC2)CNS(=O)(=O)c2cccc3c2cccc3)nc2c1cccc2 | 10.1016/s0960-894x(00)00177-3 | |||
| CHEMBL195380 | 899 | 13 | None | 2 | 2 | Rat | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 475 | 7 | 3 | 6 | 4.6 | Nc1nc(NCC2CCC(CC2)CNS(=O)(=O)c2cccc3c2cccc3)nc2c1cccc2 | 10.1016/s0960-894x(00)00177-3 | |||
| 9908945 | 193062 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 400 | 2 | 1 | 5 | 3.8 | O=C1OC2(CCN(C(=O)Nc3ncc(-c4ccccc4)cn3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | |||
| CHEMBL522388 | 193062 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 400 | 2 | 1 | 5 | 3.8 | O=C1OC2(CCN(C(=O)Nc3ncc(-c4ccccc4)cn3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | |||
| 44573541 | 193315 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 474 | 5 | 3 | 5 | 3.5 | CS(=O)(=O)Nc1ccccc1N1CCN(C(=O)Nc2cc(-c3ccc(Cl)cc3)n[nH]2)CC1 | 10.1016/j.bmcl.2009.02.035 | |||
| CHEMBL524192 | 193315 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 474 | 5 | 3 | 5 | 3.5 | CS(=O)(=O)Nc1ccccc1N1CCN(C(=O)Nc2cc(-c3ccc(Cl)cc3)n[nH]2)CC1 | 10.1016/j.bmcl.2009.02.035 | |||
| 44271284 | 58089 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 459 | 4 | 2 | 6 | 3.6 | Cc1cc(O)ccc1NC(=O)C1CCN(C(=O)Cn2c(=O)sc3ccc(Cl)cc32)CC1 | 10.1016/s0960-894x(02)00113-0 | |||
| CHEMBL16740 | 58089 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 459 | 4 | 2 | 6 | 3.6 | Cc1cc(O)ccc1NC(=O)C1CCN(C(=O)Cn2c(=O)sc3ccc(Cl)cc32)CC1 | 10.1016/s0960-894x(02)00113-0 | |||
| 44271317 | 60411 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 473 | 6 | 1 | 6 | 3.3 | COc1ccc(CNC(=O)C2CCN(C(=O)Cn3c(=O)sc4ccc(Cl)cc43)CC2)cc1 | 10.1016/s0960-894x(02)00113-0 | |||
| CHEMBL17502 | 60411 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 473 | 6 | 1 | 6 | 3.3 | COc1ccc(CNC(=O)C2CCN(C(=O)Cn3c(=O)sc4ccc(Cl)cc43)CC2)cc1 | 10.1016/s0960-894x(02)00113-0 | |||
| 44271385 | 60552 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 533 | 6 | 1 | 6 | 4.8 | O=C(c1ccccc1)c1cccc(NC(=O)C2CCN(C(=O)Cn3c(=O)sc4ccc(Cl)cc43)CC2)c1 | 10.1016/s0960-894x(02)00113-0 | |||
| CHEMBL17590 | 60552 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 533 | 6 | 1 | 6 | 4.8 | O=C(c1ccccc1)c1cccc(NC(=O)C2CCN(C(=O)Cn3c(=O)sc4ccc(Cl)cc43)CC2)c1 | 10.1016/s0960-894x(02)00113-0 | |||
| 71458604 | 81349 | 0 | None | - | 0 | Mouse | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 453 | 4 | 1 | 5 | 4.3 | CC(C)(C(F)(F)F)S(=O)(=O)c1ccc2[nH]c(N3CCOC(c4ccccc4)C3)nc2c1 | 10.1016/j.bmcl.2012.09.025 | |||
| CHEMBL2159168 | 81349 | 0 | None | - | 0 | Mouse | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 453 | 4 | 1 | 5 | 4.3 | CC(C)(C(F)(F)F)S(=O)(=O)c1ccc2[nH]c(N3CCOC(c4ccccc4)C3)nc2c1 | 10.1016/j.bmcl.2012.09.025 | |||
| 70675779 | 128492 | 0 | None | - | 0 | Mouse | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 384 | 5 | 2 | 6 | 2.8 | CC(C)(C)S(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(C(F)(F)F)no2)CC1 | nan | |||
| CHEMBL3666793 | 128492 | 0 | None | - | 0 | Mouse | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 384 | 5 | 2 | 6 | 2.8 | CC(C)(C)S(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(C(F)(F)F)no2)CC1 | nan | |||
| 68605769 | 125446 | 0 | None | - | 0 | Mouse | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 412 | 5 | 2 | 6 | 4.3 | CC(C)n1c(=O)oc2cc(NC(=O)[C@H]3CC[C@@H](Nc4cccc(F)n4)CC3)ccc21 | nan | |||
| CHEMBL3646140 | 125446 | 0 | None | - | 0 | Mouse | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 412 | 5 | 2 | 6 | 4.3 | CC(C)n1c(=O)oc2cc(NC(=O)[C@H]3CC[C@@H](Nc4cccc(F)n4)CC3)ccc21 | nan | |||
| 68606747 | 125447 | 0 | None | - | 0 | Mouse | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 443 | 5 | 1 | 5 | 4.9 | C[C@H]1CN(c2ccc(NC(=O)[C@H]3CC[C@@H](Oc4cc(Cl)ccn4)CC3)cc2)C[C@@H](C)O1 | nan | |||
| CHEMBL3646141 | 125447 | 0 | None | - | 0 | Mouse | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 443 | 5 | 1 | 5 | 4.9 | C[C@H]1CN(c2ccc(NC(=O)[C@H]3CC[C@@H](Oc4cc(Cl)ccn4)CC3)cc2)C[C@@H](C)O1 | nan | |||
| 9802119 | 197081 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 418 | 3 | 1 | 6 | 3.9 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ncc(-c4ccccc4F)cn3)CC2)c2ccncc21 | 10.1016/j.bmcl.2009.07.103 | |||
| CHEMBL567495 | 197081 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 418 | 3 | 1 | 6 | 3.9 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ncc(-c4ccccc4F)cn3)CC2)c2ccncc21 | 10.1016/j.bmcl.2009.07.103 | |||
| 9802118 | 198913 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 418 | 3 | 1 | 6 | 3.9 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ncc(-c4cccc(F)c4)cn3)CC2)c2ccncc21 | 10.1016/j.bmcl.2009.07.103 | |||
| CHEMBL584526 | 198913 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 418 | 3 | 1 | 6 | 3.9 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ncc(-c4cccc(F)c4)cn3)CC2)c2ccncc21 | 10.1016/j.bmcl.2009.07.103 | |||
| 9908890 | 199785 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 399 | 3 | 1 | 5 | 4.3 | O=C1O[C@]2(CC[C@H](C(=O)Nc3cnc(-c4ccccc4)cn3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.08.019 | |||
| CHEMBL593934 | 199785 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 399 | 3 | 1 | 5 | 4.3 | O=C1O[C@]2(CC[C@H](C(=O)Nc3cnc(-c4ccccc4)cn3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.08.019 | |||
| 18004985 | 193055 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 460 | 4 | 1 | 3 | 5.2 | CS(=O)(=O)N1C[C@]2(CC[C@H](C(=O)Nc3ccc(-c4ccccc4)cc3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.02.035 | |||
| CHEMBL522321 | 193055 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 460 | 4 | 1 | 3 | 5.2 | CS(=O)(=O)N1C[C@]2(CC[C@H](C(=O)Nc3ccc(-c4ccccc4)cc3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.02.035 | |||
| 44271207 | 98908 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 521 | 6 | 1 | 6 | 5.4 | O=C(Nc1ccc(Oc2ccccc2)cc1)C1CCN(C(=O)Cn2c(=O)sc3ccc(Cl)cc32)CC1 | 10.1016/s0960-894x(02)00113-0 | |||
| CHEMBL279309 | 98908 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 521 | 6 | 1 | 6 | 5.4 | O=C(Nc1ccc(Oc2ccccc2)cc1)C1CCN(C(=O)Cn2c(=O)sc3ccc(Cl)cc32)CC1 | 10.1016/s0960-894x(02)00113-0 | |||
| 46912808 | 125433 | 0 | None | - | 0 | Mouse | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 425 | 5 | 2 | 5 | 3.5 | O=C(N[C@H]1CC[C@@H](C(=O)Nc2ccn(-c3ccccc3F)n2)CC1)c1cccc(F)n1 | nan | |||
| CHEMBL3646127 | 125433 | 0 | None | - | 0 | Mouse | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 425 | 5 | 2 | 5 | 3.5 | O=C(N[C@H]1CC[C@@H](C(=O)Nc2ccn(-c3ccccc3F)n2)CC1)c1cccc(F)n1 | nan | |||
| 44580050 | 184204 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 387 | 1 | 1 | 4 | 4.5 | O=C1OC2(CCN(c3nc4cc(Cl)c(Cl)cc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.018 | |||
| CHEMBL483251 | 184204 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 387 | 1 | 1 | 4 | 4.5 | O=C1OC2(CCN(c3nc4cc(Cl)c(Cl)cc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.018 | |||
| 44401591 | 68897 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 587 | 8 | 3 | 7 | 5.1 | Nc1nc(NCC2CCC(CNS(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 | 10.1016/j.bmcl.2005.03.052 | |||
| CHEMBL192266 | 68897 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 587 | 8 | 3 | 7 | 5.1 | Nc1nc(NCC2CCC(CNS(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 | 10.1016/j.bmcl.2005.03.052 | |||
| 23442776 | 125798 | 0 | None | - | 0 | Mouse | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 475 | 11 | 2 | 8 | 3.5 | COc1ccc(OC)c(S(=O)(=O)NCCCNc2ncc(C(=O)c3ccccc3C)s2)c1 | 10.1016/j.bmcl.2005.05.009 | |||
| CHEMBL364796 | 125798 | 0 | None | - | 0 | Mouse | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 475 | 11 | 2 | 8 | 3.5 | COc1ccc(OC)c(S(=O)(=O)NCCCNc2ncc(C(=O)c3ccccc3C)s2)c1 | 10.1016/j.bmcl.2005.05.009 | |||
| 89986718 | 128502 | 0 | None | - | 0 | Mouse | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 406 | 7 | 2 | 6 | 2.6 | CCS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(C(F)(F)C(F)(F)F)no2)CC1 | nan | |||
| CHEMBL3666802 | 128502 | 0 | None | - | 0 | Mouse | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 406 | 7 | 2 | 6 | 2.6 | CCS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(C(F)(F)C(F)(F)F)no2)CC1 | nan | |||
| 10565529 | 116730 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 291 | 2 | 1 | 2 | 4.5 | Cc1cc(N2CCCCC2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | |||
| CHEMBL337427 | 116730 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 291 | 2 | 1 | 2 | 4.5 | Cc1cc(N2CCCCC2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | |||
| 9796164 | 96956 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 294 | 1 | 1 | 1 | 4.9 | Clc1ccc2c(c1)-c1nc(-c3ccccc3)[nH]c1CCC2 | 10.1016/s0960-894x(02)00090-2 | |||
| CHEMBL266241 | 96956 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 294 | 1 | 1 | 1 | 4.9 | Clc1ccc2c(c1)-c1nc(-c3ccccc3)[nH]c1CCC2 | 10.1016/s0960-894x(02)00090-2 | |||
| 9823032 | 187871 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 413 | 2 | 2 | 4 | 3.3 | O=C1Cc2ccccc2C2(CCN(C(=O)Nc3cnc(-c4ccccc4)cn3)CC2)N1 | 10.1016/j.bmcl.2009.05.013 | |||
| CHEMBL496392 | 187871 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 413 | 2 | 2 | 4 | 3.3 | O=C1Cc2ccccc2C2(CCN(C(=O)Nc3cnc(-c4ccccc4)cn3)CC2)N1 | 10.1016/j.bmcl.2009.05.013 | |||
| 9979057 | 187069 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 412 | 2 | 1 | 3 | 6.1 | O=C1O[C@]2(CC[C@H](c3nc4cc(-c5ccc(F)cc5)ccc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.021 | |||
| CHEMBL491229 | 187069 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 412 | 2 | 1 | 3 | 6.1 | O=C1O[C@]2(CC[C@H](c3nc4cc(-c5ccc(F)cc5)ccc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.021 | |||
| 9887225 | 187148 | 3 | None | - | 1 | Mouse | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 400 | 2 | 1 | 5 | 3.8 | O=C1OC2(CCN(C(=O)Nc3cnc(-c4ccccc4)cn3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | |||
| CHEMBL491930 | 187148 | 3 | None | - | 1 | Mouse | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 400 | 2 | 1 | 5 | 3.8 | O=C1OC2(CCN(C(=O)Nc3cnc(-c4ccccc4)cn3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | |||
| 9887225 | 187148 | 3 | None | - | 1 | Rat | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 400 | 2 | 1 | 5 | 3.8 | O=C1OC2(CCN(C(=O)Nc3cnc(-c4ccccc4)cn3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | |||
| CHEMBL491930 | 187148 | 3 | None | - | 1 | Rat | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 400 | 2 | 1 | 5 | 3.8 | O=C1OC2(CCN(C(=O)Nc3cnc(-c4ccccc4)cn3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | |||
| 9952231 | 199820 | 0 | None | - | 0 | Rat | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 388 | 3 | 1 | 6 | 3.5 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ccn(-c4ccccc4)n3)CC2)c2cccnc21 | 10.1016/j.bmc.2009.08.019 | |||
| CHEMBL594163 | 199820 | 0 | None | - | 0 | Rat | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 388 | 3 | 1 | 6 | 3.5 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ccn(-c4ccccc4)n3)CC2)c2cccnc21 | 10.1016/j.bmc.2009.08.019 | |||
| 44271267 | 98786 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 473 | 6 | 2 | 6 | 3.1 | O=C(Nc1ccc(CCO)cc1)C1CCN(C(=O)Cn2c(=O)sc3ccc(Cl)cc32)CC1 | 10.1016/s0960-894x(02)00113-0 | |||
| CHEMBL278280 | 98786 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 473 | 6 | 2 | 6 | 3.1 | O=C(Nc1ccc(CCO)cc1)C1CCN(C(=O)Cn2c(=O)sc3ccc(Cl)cc32)CC1 | 10.1016/s0960-894x(02)00113-0 | |||
| 9926566 | 28027 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 306 | 2 | 1 | 3 | 4.3 | Cc1nc(N2CCCCCC2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | |||
| CHEMBL137259 | 28027 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 306 | 2 | 1 | 3 | 4.3 | Cc1nc(N2CCCCCC2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | |||
| 68616467 | 125444 | 0 | None | - | 0 | Mouse | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 404 | 4 | 2 | 4 | 4.5 | O=C(N[C@H]1CC[C@@H](c2nc(-c3cccc(C(F)(F)F)c3)c[nH]2)CC1)c1ccon1 | nan | |||
| CHEMBL3646138 | 125444 | 0 | None | - | 0 | Mouse | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 404 | 4 | 2 | 4 | 4.5 | O=C(N[C@H]1CC[C@@H](c2nc(-c3cccc(C(F)(F)F)c3)c[nH]2)CC1)c1ccon1 | nan | |||
| 68607021 | 125449 | 0 | None | - | 0 | Mouse | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 501 | 5 | 1 | 5 | 5.8 | C[C@H]1CN(c2ccc(NC(=O)[C@H]3CC[C@@H](Oc4cc(C(F)(F)F)ccc4C#N)CC3)cc2)C[C@@H](C)O1 | nan | |||
| CHEMBL3646143 | 125449 | 0 | None | - | 0 | Mouse | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 501 | 5 | 1 | 5 | 5.8 | C[C@H]1CN(c2ccc(NC(=O)[C@H]3CC[C@@H](Oc4cc(C(F)(F)F)ccc4C#N)CC3)cc2)C[C@@H](C)O1 | nan | |||
| 44580708 | 187855 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 375 | 3 | 1 | 4 | 4.4 | CC(C)Cc1ccc2[nH]c(N3CCC4(CC3)OC(=O)c3ccccc34)nc2c1 | 10.1016/j.bmcl.2008.08.018 | |||
| CHEMBL496326 | 187855 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 375 | 3 | 1 | 4 | 4.4 | CC(C)Cc1ccc2[nH]c(N3CCC4(CC3)OC(=O)c3ccccc34)nc2c1 | 10.1016/j.bmcl.2008.08.018 | |||
| 45481809 | 198023 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 469 | 3 | 1 | 5 | 3.4 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3cn(-c4cccc(F)c4)cn3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | |||
| CHEMBL573860 | 198023 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 469 | 3 | 1 | 5 | 3.4 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3cn(-c4cccc(F)c4)cn3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | |||
| 9933356 | 197059 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 448 | 5 | 1 | 7 | 4.0 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ncc(-c4cccc(OCF)c4)cn3)CC2)c2ccncc21 | 10.1016/j.bmcl.2009.07.103 | |||
| CHEMBL567310 | 197059 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 448 | 5 | 1 | 7 | 4.0 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ncc(-c4cccc(OCF)c4)cn3)CC2)c2ccncc21 | 10.1016/j.bmcl.2009.07.103 | |||
| 9952815 | 197088 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 400 | 3 | 1 | 6 | 3.7 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ncc(-c4ccccc4)cn3)CC2)c2cnccc21 | 10.1016/j.bmcl.2009.07.103 | |||
| CHEMBL567527 | 197088 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 400 | 3 | 1 | 6 | 3.7 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ncc(-c4ccccc4)cn3)CC2)c2cnccc21 | 10.1016/j.bmcl.2009.07.103 | |||
| 9953802 | 197641 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 418 | 3 | 1 | 6 | 3.9 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ncc(-c4cccc(F)c4)cn3)CC2)c2cnccc21 | 10.1016/j.bmcl.2009.07.103 | |||
| CHEMBL570864 | 197641 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 418 | 3 | 1 | 6 | 3.9 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ncc(-c4cccc(F)c4)cn3)CC2)c2cnccc21 | 10.1016/j.bmcl.2009.07.103 | |||
| 11224238 | 198968 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 432 | 4 | 1 | 6 | 4.2 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ncc(-c4cccc(CF)c4)cn3)CC2)c2cnccc21 | 10.1016/j.bmcl.2009.07.103 | |||
| CHEMBL585107 | 198968 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 432 | 4 | 1 | 6 | 4.2 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ncc(-c4cccc(CF)c4)cn3)CC2)c2cnccc21 | 10.1016/j.bmcl.2009.07.103 | |||
| 11633103 | 198979 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 418 | 3 | 1 | 6 | 3.9 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ncc(-c4ccccc4F)cn3)CC2)c2cnccc21 | 10.1016/j.bmcl.2009.07.103 | |||
| CHEMBL585203 | 198979 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 418 | 3 | 1 | 6 | 3.9 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ncc(-c4ccccc4F)cn3)CC2)c2cnccc21 | 10.1016/j.bmcl.2009.07.103 | |||
| 44583436 | 187754 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 430 | 3 | 1 | 6 | 3.8 | COc1cccc(-c2cnc(NC(=O)N3CCC4(CC3)OC(=O)c3ccccc34)nc2)c1 | 10.1016/j.bmcl.2009.05.013 | |||
| CHEMBL495625 | 187754 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 430 | 3 | 1 | 6 | 3.8 | COc1cccc(-c2cnc(NC(=O)N3CCC4(CC3)OC(=O)c3ccccc34)nc2)c1 | 10.1016/j.bmcl.2009.05.013 | |||
| 44583559 | 187873 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 405 | 2 | 1 | 5 | 4.5 | O=C1OC2(CCN(C(=O)Nc3ncc(-c4ccccc4)s3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | |||
| CHEMBL496399 | 187873 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 405 | 2 | 1 | 5 | 4.5 | O=C1OC2(CCN(C(=O)Nc3ncc(-c4ccccc4)s3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | |||
| 9952815 | 197088 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 400 | 3 | 1 | 6 | 3.7 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ncc(-c4ccccc4)cn3)CC2)c2cnccc21 | 10.1016/j.bmc.2009.08.019 | |||
| CHEMBL567527 | 197088 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 400 | 3 | 1 | 6 | 3.7 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ncc(-c4ccccc4)cn3)CC2)c2cnccc21 | 10.1016/j.bmc.2009.08.019 | |||
| 70682529 | 76910 | 0 | None | - | 0 | Mouse | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 363 | 4 | 1 | 4 | 4.1 | CCS(=O)(=O)c1ccc2[nH]c(-c3cncc(-c4ccccc4)c3)nc2c1 | 10.1016/j.bmcl.2012.07.020 | |||
| CHEMBL2070156 | 76910 | 0 | None | - | 0 | Mouse | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 363 | 4 | 1 | 4 | 4.1 | CCS(=O)(=O)c1ccc2[nH]c(-c3cncc(-c4ccccc4)c3)nc2c1 | 10.1016/j.bmcl.2012.07.020 | |||
| 70675752 | 128503 | 0 | None | - | 0 | Mouse | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 424 | 6 | 2 | 6 | 3.4 | CC(C)(C)S(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(C3(F)CC(F)(F)C3)no2)CC1 | nan | |||
| CHEMBL3666803 | 128503 | 0 | None | - | 0 | Mouse | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 424 | 6 | 2 | 6 | 3.4 | CC(C)(C)S(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(C3(F)CC(F)(F)C3)no2)CC1 | nan | |||
| 9955287 | 197060 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 448 | 5 | 1 | 7 | 4.0 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ncc(-c4cccc(OCF)c4)cn3)CC2)c2cnccc21 | 10.1016/j.bmcl.2009.07.103 | |||
| CHEMBL567318 | 197060 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 448 | 5 | 1 | 7 | 4.0 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ncc(-c4cccc(OCF)c4)cn3)CC2)c2cnccc21 | 10.1016/j.bmcl.2009.07.103 | |||
| 9886573 | 187980 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 388 | 2 | 2 | 4 | 3.8 | O=C1OC2(CCN(C(=O)Nc3cc(-c4ccccc4)n[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | |||
| CHEMBL497211 | 187980 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 388 | 2 | 2 | 4 | 3.8 | O=C1OC2(CCN(C(=O)Nc3cc(-c4ccccc4)n[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | |||
| 70688845 | 76897 | 0 | None | - | 0 | Mouse | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 384 | 5 | 1 | 4 | 4.3 | CCCS(=O)(=O)c1ccc2[nH]c(-c3cccc(OC(F)(F)F)c3)nc2c1 | 10.1016/j.bmcl.2012.07.020 | |||
| CHEMBL2070143 | 76897 | 0 | None | - | 0 | Mouse | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 384 | 5 | 1 | 4 | 4.3 | CCCS(=O)(=O)c1ccc2[nH]c(-c3cccc(OC(F)(F)F)c3)nc2c1 | 10.1016/j.bmcl.2012.07.020 | |||
| 70684604 | 76912 | 0 | None | - | 0 | Mouse | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 393 | 5 | 1 | 5 | 3.6 | CCCS(=O)(=O)c1ccc2[nH]c(-c3ccc(=O)n(-c4ccccc4)c3)nc2c1 | 10.1016/j.bmcl.2012.07.020 | |||
| CHEMBL2070158 | 76912 | 0 | None | - | 0 | Mouse | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 393 | 5 | 1 | 5 | 3.6 | CCCS(=O)(=O)c1ccc2[nH]c(-c3ccc(=O)n(-c4ccccc4)c3)nc2c1 | 10.1016/j.bmcl.2012.07.020 | |||
| 10757242 | 28552 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 272 | 4 | 1 | 3 | 3.6 | CCCCc1cc2[nH]c(C)nc(N3CCCCC3)c-2n1 | 10.1021/jm000269t | |||
| CHEMBL137638 | 28552 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 272 | 4 | 1 | 3 | 3.6 | CCCCc1cc2[nH]c(C)nc(N3CCCCC3)c-2n1 | 10.1021/jm000269t | |||
| 44580667 | 187967 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 364 | 2 | 1 | 6 | 3.1 | O=C1OC2(CCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.018 | |||
| CHEMBL497152 | 187967 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 364 | 2 | 1 | 6 | 3.1 | O=C1OC2(CCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.018 | |||
| 44580666 | 188022 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 397 | 1 | 1 | 4 | 4.0 | O=C1OC2(CCN(c3nc4cc(Br)ccc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.018 | |||
| CHEMBL497570 | 188022 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 397 | 1 | 1 | 4 | 4.0 | O=C1OC2(CCN(c3nc4cc(Br)ccc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.018 | |||
| 10186456 | 103413 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 523 | 7 | 2 | 7 | 4.6 | Nc1cc(C2CCC(CNS(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)nn1-c1cccc(C(F)(F)F)c1 | 10.1016/s0960-894x(01)00449-8 | |||
| CHEMBL3084802 | 103413 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 523 | 7 | 2 | 7 | 4.6 | Nc1cc(C2CCC(CNS(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)nn1-c1cccc(C(F)(F)F)c1 | 10.1016/s0960-894x(01)00449-8 | |||
| 44312780 | 103412 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 523 | 7 | 2 | 7 | 4.6 | Nc1cc(C2CCC(CNS(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)nn1-c1ccc(C(F)(F)F)cc1 | 10.1016/s0960-894x(01)00448-6 | |||
| CHEMBL3084801 | 103412 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 523 | 7 | 2 | 7 | 4.6 | Nc1cc(C2CCC(CNS(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)nn1-c1ccc(C(F)(F)F)cc1 | 10.1016/s0960-894x(01)00448-6 | |||
| 9924627 | 193075 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 352 | 3 | 1 | 2 | 4.4 | Fc1ccc(C2(c3ccc(F)cc3)CNC(c3cccc(F)c3)=N2)cc1 | 10.1016/j.bmcl.2009.01.101 | |||
| CHEMBL522489 | 193075 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 352 | 3 | 1 | 2 | 4.4 | Fc1ccc(C2(c3ccc(F)cc3)CNC(c3cccc(F)c3)=N2)cc1 | 10.1016/j.bmcl.2009.01.101 | |||
| 9850107 | 11012 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 536 | 8 | 2 | 5 | 3.4 | O=C(CN1CCC(NS(=O)(=O)c2ccccc2)CC1)NC1CCc2cc(F)ccc2C1Cc1cccnc1 | 10.1021/jm990468g | |||
| CHEMBL117400 | 11012 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 536 | 8 | 2 | 5 | 3.4 | O=C(CN1CCC(NS(=O)(=O)c2ccccc2)CC1)NC1CCc2cc(F)ccc2C1Cc1cccnc1 | 10.1021/jm990468g | |||
| 44344497 | 103443 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 533 | 10 | 2 | 5 | 5.1 | COc1ccc2c(c1)CCC(NC[C@H]1CC[C@H](CNS(=O)(=O)c3ccccc3)CC1)C2Cc1cccnc1 | 10.1021/jm990468g | |||
| CHEMBL3084895 | 103443 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 533 | 10 | 2 | 5 | 5.1 | COc1ccc2c(c1)CCC(NC[C@H]1CC[C@H](CNS(=O)(=O)c3ccccc3)CC1)C2Cc1cccnc1 | 10.1021/jm990468g | |||
| 44271355 | 59652 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 500 | 4 | 1 | 7 | 4.5 | Cc1ccc2nc(NC(=O)C3CCN(C(=O)Cn4c(=O)sc5ccc(Cl)cc54)CC3)sc2c1 | 10.1016/s0960-894x(02)00113-0 | |||
| CHEMBL17214 | 59652 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 500 | 4 | 1 | 7 | 4.5 | Cc1ccc2nc(NC(=O)C3CCN(C(=O)Cn4c(=O)sc5ccc(Cl)cc54)CC3)sc2c1 | 10.1016/s0960-894x(02)00113-0 | |||
| 3087469 | 28247 | 4 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 294 | 2 | 1 | 4 | 2.8 | Cc1nc(N2CCOCC2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | |||
| CHEMBL137404 | 28247 | 4 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 294 | 2 | 1 | 4 | 2.8 | Cc1nc(N2CCOCC2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | |||
| 10664487 | 30676 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 298 | 2 | 1 | 4 | 4.0 | Cc1nc(N2CCCCC2)c2[nH]c(-c3cccs3)cc2n1 | 10.1021/jm000269t | |||
| CHEMBL139483 | 30676 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 298 | 2 | 1 | 4 | 4.0 | Cc1nc(N2CCCCC2)c2[nH]c(-c3cccs3)cc2n1 | 10.1021/jm000269t | |||
| 44313331 | 204860 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 420 | 6 | 2 | 6 | 3.9 | COc1ccc(S(=O)(=O)Nc2ccc(-c3cc(N)n(-c4ccccc4)n3)cc2)cc1 | 10.1016/s0960-894x(01)00448-6 | |||
| CHEMBL75662 | 204860 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 420 | 6 | 2 | 6 | 3.9 | COc1ccc(S(=O)(=O)Nc2ccc(-c3cc(N)n(-c4ccccc4)n3)cc2)cc1 | 10.1016/s0960-894x(01)00448-6 | |||
| 10295464 | 205701 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 417 | 6 | 1 | 5 | 4.7 | CCCCC(=O)N1CCC(CNc2nc3c(s2)CCOc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
| CHEMBL82374 | 205701 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 417 | 6 | 1 | 5 | 4.7 | CCCCC(=O)N1CCC(CNc2nc3c(s2)CCOc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
| 10257065 | 12887 | 0 | None | - | 0 | Rat | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 516 | 5 | 1 | 5 | 6.0 | CCn1c2ccccc2c2cc(NC(=O)CN3CCC(N4C(=O)OCc5cc(Cl)ccc54)CC3)ccc21 | 10.1021/jm049599u | |||
| CHEMBL1188887 | 12887 | 0 | None | - | 0 | Rat | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 516 | 5 | 1 | 5 | 6.0 | CCn1c2ccccc2c2cc(NC(=O)CN3CCC(N4C(=O)OCc5cc(Cl)ccc54)CC3)ccc21 | 10.1021/jm049599u | |||
| CHEMBL537634 | 12887 | 0 | None | - | 0 | Rat | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 516 | 5 | 1 | 5 | 6.0 | CCn1c2ccccc2c2cc(NC(=O)CN3CCC(N4C(=O)OCc5cc(Cl)ccc54)CC3)ccc21 | 10.1021/jm049599u | |||
| 44271556 | 98436 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 444 | 6 | 1 | 3 | 5.2 | O=S(=O)(c1cccc2ccccc12)N1CCC(CNCc2ccc3ccccc3c2)CC1 | 10.1016/s0960-894x(00)00177-3 | |||
| CHEMBL275610 | 98436 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 444 | 6 | 1 | 3 | 5.2 | O=S(=O)(c1cccc2ccccc12)N1CCC(CNCc2ccc3ccccc3c2)CC1 | 10.1016/s0960-894x(00)00177-3 | |||
| 44377690 | 58148 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 521 | 9 | 2 | 5 | 4.4 | COc1ccc2c(c1)CCCC(NCCN1CCC(CNS(=O)(=O)c3cccc4ccccc34)CC1)C2 | 10.1016/s0960-894x(02)00002-1 | |||
| CHEMBL167926 | 58148 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 521 | 9 | 2 | 5 | 4.4 | COc1ccc2c(c1)CCCC(NCCN1CCC(CNS(=O)(=O)c3cccc4ccccc34)CC1)C2 | 10.1016/s0960-894x(02)00002-1 | |||
| 25067562 | 184198 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 400 | 2 | 1 | 6 | 4.6 | Cc1nnc(-c2ccc3[nH]c([C@H]4CC[C@]5(CC4)OC(=O)c4ccccc45)nc3c2)o1 | 10.1016/j.bmcl.2008.08.021 | |||
| CHEMBL483239 | 184198 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 400 | 2 | 1 | 6 | 4.6 | Cc1nnc(-c2ccc3[nH]c([C@H]4CC[C@]5(CC4)OC(=O)c4ccccc45)nc3c2)o1 | 10.1016/j.bmcl.2008.08.021 | |||
| 44579862 | 186873 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 410 | 2 | 1 | 5 | 4.7 | COC(=O)c1cc2[nH]c([C@H]3CC[C@]4(CC3)OC(=O)c3ccccc34)nc2cc1Cl | 10.1016/j.bmcl.2008.08.021 | |||
| CHEMBL489609 | 186873 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 410 | 2 | 1 | 5 | 4.7 | COC(=O)c1cc2[nH]c([C@H]3CC[C@]4(CC3)OC(=O)c3ccccc34)nc2cc1Cl | 10.1016/j.bmcl.2008.08.021 | |||
| 44390110 | 161692 | 0 | None | - | 0 | Mouse | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 328 | 5 | 1 | 5 | 4.3 | COc1cccc(Nc2ncc(C(=O)c3ccccc3F)s2)c1 | 10.1016/j.bmcl.2005.01.063 | |||
| CHEMBL413359 | 161692 | 0 | None | - | 0 | Mouse | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 328 | 5 | 1 | 5 | 4.3 | COc1cccc(Nc2ncc(C(=O)c3ccccc3F)s2)c1 | 10.1016/j.bmcl.2005.01.063 | |||
| 44580502 | 192908 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 336 | 1 | 0 | 5 | 4.0 | O=C1OC2(CCN(c3nc4ccccc4s3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.018 | |||
| CHEMBL522213 | 192908 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 336 | 1 | 0 | 5 | 4.0 | O=C1OC2(CCN(c3nc4ccccc4s3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.018 | |||
| 10481364 | 12989 | 0 | None | - | 0 | Rat | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 471 | 6 | 1 | 5 | 5.3 | Cc1ccc2c(c1)COC(=O)N2C1CCN(CC(=O)Nc2ccc(Oc3ccccc3)cc2)CC1 | 10.1021/jm049599u | |||
| CHEMBL1189619 | 12989 | 0 | None | - | 0 | Rat | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 471 | 6 | 1 | 5 | 5.3 | Cc1ccc2c(c1)COC(=O)N2C1CCN(CC(=O)Nc2ccc(Oc3ccccc3)cc2)CC1 | 10.1021/jm049599u | |||
| CHEMBL539084 | 12989 | 0 | None | - | 0 | Rat | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 471 | 6 | 1 | 5 | 5.3 | Cc1ccc2c(c1)COC(=O)N2C1CCN(CC(=O)Nc2ccc(Oc3ccccc3)cc2)CC1 | 10.1021/jm049599u | |||
| 10616756 | 26283 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 298 | 2 | 1 | 3 | 4.3 | Cc1nc(N2CCCCC2)c2nc(C3CCCCC3)cc-2[nH]1 | 10.1021/jm000269t | |||
| CHEMBL135831 | 26283 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 298 | 2 | 1 | 3 | 4.3 | Cc1nc(N2CCCCC2)c2nc(C3CCCCC3)cc-2[nH]1 | 10.1021/jm000269t | |||
| 45481639 | 198452 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 420 | 2 | 1 | 4 | 3.1 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(Cl)nc3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | |||
| CHEMBL577358 | 198452 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 420 | 2 | 1 | 4 | 3.1 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(Cl)nc3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | |||
| 44379410 | 58109 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 535 | 10 | 3 | 6 | 3.5 | COc1ccc2c(c1)C(O)(CNCC1CCN(CCNS(=O)(=O)c3cccc(Cl)c3C)CC1)CCC2 | 10.1016/s0960-894x(02)00018-5 | |||
| CHEMBL167558 | 58109 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 535 | 10 | 3 | 6 | 3.5 | COc1ccc2c(c1)C(O)(CNCC1CCN(CCNS(=O)(=O)c3cccc(Cl)c3C)CC1)CCC2 | 10.1016/s0960-894x(02)00018-5 | |||
| 44344312 | 103423 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 565 | 9 | 2 | 5 | 4.8 | COc1ccc2c(c1)CCC(NC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c3ccccc3F)CC1)C2Cc1cccnc1 | 10.1021/jm990468g | |||
| CHEMBL3084871 | 103423 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 565 | 9 | 2 | 5 | 4.8 | COc1ccc2c(c1)CCC(NC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c3ccccc3F)CC1)C2Cc1cccnc1 | 10.1021/jm990468g | |||
| 44344356 | 103429 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 547 | 9 | 2 | 5 | 4.6 | COc1ccc2c(c1)CCC(NC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c3ccccc3)CC1)C2Cc1cccnc1 | 10.1021/jm990468g | |||
| CHEMBL3084877 | 103429 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 547 | 9 | 2 | 5 | 4.6 | COc1ccc2c(c1)CCC(NC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c3ccccc3)CC1)C2Cc1cccnc1 | 10.1021/jm990468g | |||
| 9810707 | 169415 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 522 | 8 | 2 | 5 | 3.0 | O=C(CN1CCC(NS(=O)(=O)c2ccccc2)C1)NC1CCc2cc(F)ccc2C1Cc1cccnc1 | 10.1021/jm990468g | |||
| CHEMBL442399 | 169415 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 522 | 8 | 2 | 5 | 3.0 | O=C(CN1CCC(NS(=O)(=O)c2ccccc2)C1)NC1CCc2cc(F)ccc2C1Cc1cccnc1 | 10.1021/jm990468g | |||
| 20616889 | 66932 | 0 | None | - | 0 | Mouse | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 421 | 9 | 2 | 7 | 3.5 | Cc1ccccc1C(=O)c1csc(NCCCNS(=O)(=O)c2cccs2)n1 | 10.1016/j.bmcl.2005.05.009 | |||
| CHEMBL186620 | 66932 | 0 | None | - | 0 | Mouse | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 421 | 9 | 2 | 7 | 3.5 | Cc1ccccc1C(=O)c1csc(NCCCNS(=O)(=O)c2cccs2)n1 | 10.1016/j.bmcl.2005.05.009 | |||
| 23442542 | 67134 | 0 | None | - | 0 | Mouse | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 445 | 10 | 2 | 7 | 3.5 | COc1cccc(S(=O)(=O)NCCCNc2ncc(C(=O)c3ccccc3C)s2)c1 | 10.1016/j.bmcl.2005.05.009 | |||
| CHEMBL187507 | 67134 | 0 | None | - | 0 | Mouse | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 445 | 10 | 2 | 7 | 3.5 | COc1cccc(S(=O)(=O)NCCCNc2ncc(C(=O)c3ccccc3C)s2)c1 | 10.1016/j.bmcl.2005.05.009 | |||
| 10325002 | 13139 | 0 | None | - | 0 | Rat | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 503 | 6 | 1 | 5 | 5.1 | O=C(CN1CCC(N2C(=O)OCc3cc(Cl)ccc32)CC1)Nc1ccc(C(=O)c2ccccc2)cc1 | 10.1021/jm049599u | |||
| CHEMBL1190573 | 13139 | 0 | None | - | 0 | Rat | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 503 | 6 | 1 | 5 | 5.1 | O=C(CN1CCC(N2C(=O)OCc3cc(Cl)ccc32)CC1)Nc1ccc(C(=O)c2ccccc2)cc1 | 10.1021/jm049599u | |||
| CHEMBL541121 | 13139 | 0 | None | - | 0 | Rat | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 503 | 6 | 1 | 5 | 5.1 | O=C(CN1CCC(N2C(=O)OCc3cc(Cl)ccc32)CC1)Nc1ccc(C(=O)c2ccccc2)cc1 | 10.1021/jm049599u | |||
| 10457755 | 48427 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 477 | 6 | 3 | 6 | 3.5 | O=C(NNC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2cccs2)CC1)c1cc2ccccc2s1 | 10.1016/j.bmcl.2003.11.070 | |||
| CHEMBL155553 | 48427 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 477 | 6 | 3 | 6 | 3.5 | O=C(NNC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2cccs2)CC1)c1cc2ccccc2s1 | 10.1016/j.bmcl.2003.11.070 | |||
| 70688846 | 76898 | 0 | None | - | 0 | Mouse | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 375 | 5 | 1 | 2 | 5.7 | CCCS(=O)(=O)c1ccc2[nH]c(-c3cccc(-c4ccccc4)c3)cc2c1 | 10.1016/j.bmcl.2012.07.020 | |||
| CHEMBL2070144 | 76898 | 0 | None | - | 0 | Mouse | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 375 | 5 | 1 | 2 | 5.7 | CCCS(=O)(=O)c1ccc2[nH]c(-c3cccc(-c4ccccc4)c3)cc2c1 | 10.1016/j.bmcl.2012.07.020 | |||
| 44580710 | 188159 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 362 | 2 | 2 | 5 | 2.3 | NC(=O)c1ccc2[nH]c(N3CCC4(CC3)OC(=O)c3ccccc34)nc2c1 | 10.1016/j.bmcl.2008.08.018 | |||
| CHEMBL498594 | 188159 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 362 | 2 | 2 | 5 | 2.3 | NC(=O)c1ccc2[nH]c(N3CCC4(CC3)OC(=O)c3ccccc34)nc2c1 | 10.1016/j.bmcl.2008.08.018 | |||
| 22934120 | 97258 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 261 | 1 | 1 | 2 | 3.6 | c1ccc(-c2nc3c([nH]2)-c2ccccc2CCC3)nc1 | 10.1016/s0960-894x(02)00090-2 | |||
| CHEMBL268810 | 97258 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 261 | 1 | 1 | 2 | 3.6 | c1ccc(-c2nc3c([nH]2)-c2ccccc2CCC3)nc1 | 10.1016/s0960-894x(02)00090-2 | |||
| 22934115 | 203540 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 291 | 2 | 1 | 3 | 3.6 | COc1ccc2c(c1)-c1nc(-c3ccccn3)[nH]c1CCC2 | 10.1016/s0960-894x(02)00090-2 | |||
| CHEMBL6646 | 203540 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 291 | 2 | 1 | 3 | 3.6 | COc1ccc2c(c1)-c1nc(-c3ccccn3)[nH]c1CCC2 | 10.1016/s0960-894x(02)00090-2 | |||
| 10519637 | 28528 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 282 | 2 | 1 | 4 | 3.5 | Cc1nc(N2CCCCC2)c2[nH]c(-c3ccco3)cc2n1 | 10.1021/jm000269t | |||
| CHEMBL137619 | 28528 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 282 | 2 | 1 | 4 | 3.5 | Cc1nc(N2CCCCC2)c2[nH]c(-c3ccco3)cc2n1 | 10.1021/jm000269t | |||
| 22257113 | 102914 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 499 | 5 | 2 | 4 | 4.4 | O=C(NC1=NC2CCc3cc(Cl)ccc3C2C1)[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1 | 10.1016/s0960-894x(99)00676-9 | |||
| CHEMBL306099 | 102914 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 499 | 5 | 2 | 4 | 4.4 | O=C(NC1=NC2CCc3cc(Cl)ccc3C2C1)[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1 | 10.1016/s0960-894x(99)00676-9 | |||
| 71519169 | 86175 | 0 | None | - | 0 | Mouse | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 376 | 5 | 1 | 3 | 4.6 | CCS(=O)(=O)c1ccc2[nH]c(Cc3ccc(-c4ccccc4)cc3)nc2c1 | 10.1016/j.bmcl.2012.11.005 | |||
| CHEMBL2312078 | 86175 | 0 | None | - | 0 | Mouse | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 376 | 5 | 1 | 3 | 4.6 | CCS(=O)(=O)c1ccc2[nH]c(Cc3ccc(-c4ccccc4)cc3)nc2c1 | 10.1016/j.bmcl.2012.11.005 | |||
| 10256047 | 12818 | 0 | None | - | 0 | Rat | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 481 | 5 | 1 | 4 | 5.9 | O=C(CN1CCC(N2C(=O)OCc3cc(Cl)ccc32)CC1)Nc1ccc(C2CCCCC2)cc1 | 10.1021/jm049599u | |||
| CHEMBL1188309 | 12818 | 0 | None | - | 0 | Rat | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 481 | 5 | 1 | 4 | 5.9 | O=C(CN1CCC(N2C(=O)OCc3cc(Cl)ccc32)CC1)Nc1ccc(C2CCCCC2)cc1 | 10.1021/jm049599u | |||
| CHEMBL536045 | 12818 | 0 | None | - | 0 | Rat | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 481 | 5 | 1 | 4 | 5.9 | O=C(CN1CCC(N2C(=O)OCc3cc(Cl)ccc32)CC1)Nc1ccc(C2CCCCC2)cc1 | 10.1021/jm049599u | |||
| 44312965 | 103490 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 472 | 6 | 2 | 5 | 4.6 | Nc1cc(-c2ccc(CNS(=O)(=O)c3ccccc3)cc2)nn1-c1ccc(C(F)(F)F)cc1 | 10.1016/s0960-894x(01)00448-6 | |||
| CHEMBL308508 | 103490 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 472 | 6 | 2 | 5 | 4.6 | Nc1cc(-c2ccc(CNS(=O)(=O)c3ccccc3)cc2)nn1-c1ccc(C(F)(F)F)cc1 | 10.1016/s0960-894x(01)00448-6 | |||
| 44289816 | 164096 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 513 | 8 | 2 | 3 | 5.1 | O=C(Cc1ccccc1)NC[C@H]1CC[C@H](C(=O)NC2CCc3cc(F)ccc3C2Cc2cccnc2)CC1 | 10.1016/s0960-894x(00)00311-5 | |||
| CHEMBL42096 | 164096 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 513 | 8 | 2 | 3 | 5.1 | O=C(Cc1ccccc1)NC[C@H]1CC[C@H](C(=O)NC2CCc3cc(F)ccc3C2Cc2cccnc2)CC1 | 10.1016/s0960-894x(00)00311-5 | |||
| 44288395 | 162572 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 517 | 10 | 5 | 3 | 4.0 | N=C(N)NCCCC(NC(=O)C(c1ccccc1)c1ccc(Cl)cc1)C(=O)N[C@H]1CCc2ccccc21 | 10.1016/s0960-894x(00)00292-4 | |||
| CHEMBL41686 | 162572 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 517 | 10 | 5 | 3 | 4.0 | N=C(N)NCCCC(NC(=O)C(c1ccccc1)c1ccc(Cl)cc1)C(=O)N[C@H]1CCc2ccccc21 | 10.1016/s0960-894x(00)00292-4 | |||
| 11783658 | 110612 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 373 | 2 | 1 | 3 | 4.5 | CC(C)n1c2ccccc2c2c(F)c(NC(=O)N3CCOCC3)c(F)cc21 | 10.1021/jm011125x | |||
| CHEMBL325639 | 110612 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 373 | 2 | 1 | 3 | 4.5 | CC(C)n1c2ccccc2c2c(F)c(NC(=O)N3CCOCC3)c(F)cc21 | 10.1021/jm011125x | |||
| 44344608 | 103450 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 553 | 8 | 2 | 4 | 4.9 | O=C(NC1CCc2cc(F)ccc2C1Cc1cccnc1)[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2F)CC1 | 10.1021/jm990468g | |||
| CHEMBL3084904 | 103450 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 553 | 8 | 2 | 4 | 4.9 | O=C(NC1CCc2cc(F)ccc2C1Cc1cccnc1)[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2F)CC1 | 10.1021/jm990468g | |||
| 71518852 | 86160 | 0 | None | - | 0 | Mouse | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 366 | 5 | 1 | 4 | 4.3 | CCS(=O)(=O)c1ccc2[nH]c(SCc3cccc(Cl)c3)nc2c1 | 10.1016/j.bmcl.2012.11.005 | |||
| CHEMBL2312063 | 86160 | 0 | None | - | 0 | Mouse | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 366 | 5 | 1 | 4 | 4.3 | CCS(=O)(=O)c1ccc2[nH]c(SCc3cccc(Cl)c3)nc2c1 | 10.1016/j.bmcl.2012.11.005 | |||
| 10071200 | 50267 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 427 | 6 | 3 | 6 | 2.4 | O=C(NNC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2cccs2)CC1)c1cccs1 | 10.1016/j.bmcl.2003.11.070 | |||
| CHEMBL157157 | 50267 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 427 | 6 | 3 | 6 | 2.4 | O=C(NNC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2cccs2)CC1)c1cccs1 | 10.1016/j.bmcl.2003.11.070 | |||
| 10547234 | 118797 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 335 | 5 | 2 | 4 | 4.4 | CCCNc1nc(N2CCCCC2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | |||
| CHEMBL342153 | 118797 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 335 | 5 | 2 | 4 | 4.4 | CCCNc1nc(N2CCCCC2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | |||
| 44401626 | 71354 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 558 | 7 | 2 | 6 | 5.2 | O=S(=O)(NCC1CCC(Nc2ncc3ccccc3n2)CC1)c1ccc(Br)cc1OC(F)(F)F | 10.1016/j.bmcl.2005.03.052 | |||
| CHEMBL195810 | 71354 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 558 | 7 | 2 | 6 | 5.2 | O=S(=O)(NCC1CCC(Nc2ncc3ccccc3n2)CC1)c1ccc(Br)cc1OC(F)(F)F | 10.1016/j.bmcl.2005.03.052 | |||
| 11284878 | 64343 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 601 | 8 | 2 | 7 | 5.3 | CN(C)c1nc(N[C@H]2CC[C@@H](CNS(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 | 10.1016/j.bmcl.2005.05.121 | |||
| CHEMBL181217 | 64343 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 601 | 8 | 2 | 7 | 5.3 | CN(C)c1nc(N[C@H]2CC[C@@H](CNS(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 | 10.1016/j.bmcl.2005.05.121 | |||
| 10779946 | 116676 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 291 | 2 | 1 | 2 | 4.5 | Cc1cc2cc(-c3ccccc3)[nH]c2c(N2CCCCC2)n1 | 10.1021/jm000269t | |||
| CHEMBL337105 | 116676 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 291 | 2 | 1 | 2 | 4.5 | Cc1cc2cc(-c3ccccc3)[nH]c2c(N2CCCCC2)n1 | 10.1021/jm000269t | |||
| 44308516 | 167807 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 513 | 6 | 2 | 5 | 3.9 | COc1ccc2c(c1)CCC1N=C(NC(=O)[C@H]3CC[C@H](CNS(=O)(=O)c4ccccc4F)CC3)CC21 | 10.1016/s0960-894x(99)00676-9 | |||
| CHEMBL430604 | 167807 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 513 | 6 | 2 | 5 | 3.9 | COc1ccc2c(c1)CCC1N=C(NC(=O)[C@H]3CC[C@H](CNS(=O)(=O)c4ccccc4F)CC3)CC21 | 10.1016/s0960-894x(99)00676-9 | |||
| 10916153 | 204986 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 390 | 7 | 2 | 3 | 5.5 | CCN(C(=O)Nc1ccc(Oc2ccccc2)cc1)[C@H](C)[C@@H](O)c1ccccc1 | 10.1021/jm0004547 | |||
| CHEMBL76627 | 204986 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 390 | 7 | 2 | 3 | 5.5 | CCN(C(=O)Nc1ccc(Oc2ccccc2)cc1)[C@H](C)[C@@H](O)c1ccccc1 | 10.1021/jm0004547 | |||
| 11824961 | 205170 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 376 | 6 | 2 | 3 | 5.1 | C[C@@H]([C@H](O)c1ccccc1)N(C)C(=O)Nc1ccc(Oc2ccccc2)cc1 | 10.1021/jm0004547 | |||
| CHEMBL78265 | 205170 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 376 | 6 | 2 | 3 | 5.1 | C[C@@H]([C@H](O)c1ccccc1)N(C)C(=O)Nc1ccc(Oc2ccccc2)cc1 | 10.1021/jm0004547 | |||
| 9857217 | 97065 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 291 | 2 | 1 | 3 | 3.6 | COc1ccc2c(c1)-c1nc(-c3ccncc3)[nH]c1CCC2 | 10.1016/s0960-894x(02)00090-2 | |||
| CHEMBL267193 | 97065 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 291 | 2 | 1 | 3 | 3.6 | COc1ccc2c(c1)-c1nc(-c3ccncc3)[nH]c1CCC2 | 10.1016/s0960-894x(02)00090-2 | |||
| 22934114 | 97364 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 279 | 1 | 1 | 2 | 3.8 | Fc1ccc2c(c1)-c1nc(-c3ccncc3)[nH]c1CCC2 | 10.1016/s0960-894x(02)00090-2 | |||
| CHEMBL269561 | 97364 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 279 | 1 | 1 | 2 | 3.8 | Fc1ccc2c(c1)-c1nc(-c3ccncc3)[nH]c1CCC2 | 10.1016/s0960-894x(02)00090-2 | |||
| 44461107 | 169235 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 437 | 4 | 1 | 5 | 4.8 | CC(C)C(=O)N1CCC(CNc2nc3c(s2)CCOc2cc(F)c(Cl)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
| CHEMBL441059 | 169235 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 437 | 4 | 1 | 5 | 4.8 | CC(C)C(=O)N1CCC(CNc2nc3c(s2)CCOc2cc(F)c(Cl)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
| 44379089 | 58141 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 501 | 10 | 3 | 6 | 2.8 | COc1ccc2c(c1)C(O)(CNCC1CCN(CCNS(=O)(=O)c3cccc(C)c3)CC1)CCC2 | 10.1016/s0960-894x(02)00018-5 | |||
| CHEMBL167860 | 58141 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 501 | 10 | 3 | 6 | 2.8 | COc1ccc2c(c1)C(O)(CNCC1CCN(CCNS(=O)(=O)c3cccc(C)c3)CC1)CCC2 | 10.1016/s0960-894x(02)00018-5 | |||
| 44580747 | 188060 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 376 | 2 | 2 | 5 | 3.2 | CC(=O)Nc1ccc2[nH]c(N3CCC4(CC3)OC(=O)c3ccccc34)nc2c1 | 10.1016/j.bmcl.2008.08.018 | |||
| CHEMBL497786 | 188060 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 376 | 2 | 2 | 5 | 3.2 | CC(=O)Nc1ccc2[nH]c(N3CCC4(CC3)OC(=O)c3ccccc34)nc2c1 | 10.1016/j.bmcl.2008.08.018 | |||
| 44573448 | 187269 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 368 | 3 | 1 | 2 | 4.9 | Fc1ccc(C2(c3ccc(F)cc3)CNC(c3ccc(Cl)cc3)=N2)cc1 | 10.1016/j.bmcl.2009.01.101 | |||
| CHEMBL492779 | 187269 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 368 | 3 | 1 | 2 | 4.9 | Fc1ccc(C2(c3ccc(F)cc3)CNC(c3ccc(Cl)cc3)=N2)cc1 | 10.1016/j.bmcl.2009.01.101 | |||
| 10614625 | 116645 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 306 | 2 | 0 | 4 | 3.9 | Cc1nc(N2CCCCC2)c2c(cc(-c3ccccc3)n2C)n1 | 10.1021/jm000269t | |||
| CHEMBL336985 | 116645 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 306 | 2 | 0 | 4 | 3.9 | Cc1nc(N2CCCCC2)c2c(cc(-c3ccccc3)n2C)n1 | 10.1021/jm000269t | |||
| 10959714 | 204962 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 374 | 6 | 1 | 2 | 6.0 | CN(C(=O)Nc1ccc(Oc2ccccc2)cc1)C(C)(C)Cc1ccccc1 | 10.1021/jm0004547 | |||
| CHEMBL76478 | 204962 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 374 | 6 | 1 | 2 | 6.0 | CN(C(=O)Nc1ccc(Oc2ccccc2)cc1)C(C)(C)Cc1ccccc1 | 10.1021/jm0004547 | |||
| 10455186 | 13926 | 0 | None | - | 0 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 390 | 4 | 1 | 5 | 3.1 | N#Cc1ccc(NC(=O)CN2CCC(N3C(=O)OCc4ccccc43)CC2)cc1 | 10.1021/jm049599u | |||
| CHEMBL1196451 | 13926 | 0 | None | - | 0 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 390 | 4 | 1 | 5 | 3.1 | N#Cc1ccc(NC(=O)CN2CCC(N3C(=O)OCc4ccccc43)CC2)cc1 | 10.1021/jm049599u | |||
| CHEMBL556999 | 13926 | 0 | None | - | 0 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 390 | 4 | 1 | 5 | 3.1 | N#Cc1ccc(NC(=O)CN2CCC(N3C(=O)OCc4ccccc43)CC2)cc1 | 10.1021/jm049599u | |||
| 44390156 | 63500 | 0 | None | - | 0 | Mouse | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 416 | 4 | 1 | 4 | 6.2 | O=C(c1cnc(Nc2cccc(C(F)(F)F)c2)s1)c1ccccc1C(F)(F)F | 10.1016/j.bmcl.2005.01.063 | |||
| CHEMBL179979 | 63500 | 0 | None | - | 0 | Mouse | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 416 | 4 | 1 | 4 | 6.2 | O=C(c1cnc(Nc2cccc(C(F)(F)F)c2)s1)c1ccccc1C(F)(F)F | 10.1016/j.bmcl.2005.01.063 | |||
| 10481215 | 12826 | 0 | None | - | 0 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 467 | 4 | 1 | 5 | 4.5 | O=C(CN1CCC(N2C(=O)OCc3ccccc32)CC1)Nc1cccc2c1-c1ccccc1C2=O | 10.1021/jm049599u | |||
| CHEMBL1188388 | 12826 | 0 | None | - | 0 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 467 | 4 | 1 | 5 | 4.5 | O=C(CN1CCC(N2C(=O)OCc3ccccc32)CC1)Nc1cccc2c1-c1ccccc1C2=O | 10.1021/jm049599u | |||
| CHEMBL536275 | 12826 | 0 | None | - | 0 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 467 | 4 | 1 | 5 | 4.5 | O=C(CN1CCC(N2C(=O)OCc3ccccc32)CC1)Nc1cccc2c1-c1ccccc1C2=O | 10.1021/jm049599u | |||
| 44583437 | 187785 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 430 | 3 | 1 | 6 | 3.8 | COc1ccc(-c2cnc(NC(=O)N3CCC4(CC3)OC(=O)c3ccccc34)nc2)cc1 | 10.1016/j.bmcl.2009.05.013 | |||
| CHEMBL495828 | 187785 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 430 | 3 | 1 | 6 | 3.8 | COc1ccc(-c2cnc(NC(=O)N3CCC4(CC3)OC(=O)c3ccccc34)nc2)cc1 | 10.1016/j.bmcl.2009.05.013 | |||
| 44390067 | 63471 | 0 | None | - | 0 | Mouse | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 339 | 4 | 1 | 6 | 4.7 | Cc1cc(C(=O)c2cnc(Nc3cccc(C#N)c3)s2)c(C)s1 | 10.1016/j.bmcl.2005.01.063 | |||
| CHEMBL179848 | 63471 | 0 | None | - | 0 | Mouse | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 339 | 4 | 1 | 6 | 4.7 | Cc1cc(C(=O)c2cnc(Nc3cccc(C#N)c3)s2)c(C)s1 | 10.1016/j.bmcl.2005.01.063 | |||
| 10738836 | 28030 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 348 | 2 | 1 | 4 | 5.1 | Cc1nc(N2CCCCC2)c2[nH]c(-c3cc4ccccc4s3)cc2n1 | 10.1021/jm000269t | |||
| CHEMBL137260 | 28030 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 348 | 2 | 1 | 4 | 5.1 | Cc1nc(N2CCCCC2)c2[nH]c(-c3cc4ccccc4s3)cc2n1 | 10.1021/jm000269t | |||
| 22325344 | 193140 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 319 | 1 | 1 | 4 | 3.2 | O=C1OC2(CCN(c3nc4ccccc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.018 | |||
| CHEMBL522913 | 193140 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 319 | 1 | 1 | 4 | 3.2 | O=C1OC2(CCN(c3nc4ccccc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.018 | |||
| 44377916 | 57164 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 523 | 10 | 2 | 6 | 3.6 | COc1ccc2c(c1OC)CC(NCC1CN(CCNS(=O)(=O)c3cccc4ccccc34)C1)CCC2 | 10.1016/s0960-894x(02)00002-1 | |||
| CHEMBL164748 | 57164 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 523 | 10 | 2 | 6 | 3.6 | COc1ccc2c(c1OC)CC(NCC1CN(CCNS(=O)(=O)c3cccc4ccccc34)C1)CCC2 | 10.1016/s0960-894x(02)00002-1 | |||
| 44289833 | 166129 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 495 | 6 | 3 | 4 | 3.5 | CC(C)(C)NC(=O)NC1CCN(CC(=O)NC2CCc3cc(F)ccc3C2Cc2cccnc2)CC1 | 10.1016/s0960-894x(00)00311-5 | |||
| CHEMBL42611 | 166129 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 495 | 6 | 3 | 4 | 3.5 | CC(C)(C)NC(=O)NC1CCN(CC(=O)NC2CCc3cc(F)ccc3C2Cc2cccnc2)CC1 | 10.1016/s0960-894x(00)00311-5 | |||
| 10573317 | 119249 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 368 | 3 | 1 | 3 | 5.6 | Cc1nc(N2CCCCC2)c2[nH]c(-c3ccc(-c4ccccc4)cc3)cc2n1 | 10.1021/jm000269t | |||
| CHEMBL343564 | 119249 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 368 | 3 | 1 | 3 | 5.6 | Cc1nc(N2CCCCC2)c2[nH]c(-c3ccc(-c4ccccc4)cc3)cc2n1 | 10.1021/jm000269t | |||
| 10520484 | 165363 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 294 | 2 | 1 | 5 | 2.7 | Cc1nc(N2CCCCC2)c2[nH]c(-c3cnccn3)cc2n1 | 10.1021/jm000269t | |||
| CHEMBL423720 | 165363 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 294 | 2 | 1 | 5 | 2.7 | Cc1nc(N2CCCCC2)c2[nH]c(-c3cnccn3)cc2n1 | 10.1021/jm000269t | |||
| 44580505 | 188103 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 319 | 1 | 1 | 4 | 3.7 | O=C1O[C@]2(CC[C@@H](c3nc4cccnc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.018 | |||
| CHEMBL498197 | 188103 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 319 | 1 | 1 | 4 | 3.7 | O=C1O[C@]2(CC[C@@H](c3nc4cccnc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.018 | |||
| 20556258 | 63765 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 419 | 4 | 1 | 7 | 2.9 | COc1cc2nc(N3CCC(N4Cc5ccccc5C4=O)CC3)nc(N)c2cc1OC | 10.1016/s0960-894x(00)00177-3 | |||
| CHEMBL18016 | 63765 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 419 | 4 | 1 | 7 | 2.9 | COc1cc2nc(N3CCC(N4Cc5ccccc5C4=O)CC3)nc(N)c2cc1OC | 10.1016/s0960-894x(00)00177-3 | |||
| 44370270 | 48044 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 597 | 9 | 3 | 5 | 6.8 | CC(C)c1cc(C(C)C)c(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)NNC(=O)c3cc4ccccc4s3)CC2)c(C(C)C)c1 | 10.1016/j.bmcl.2003.11.070 | |||
| CHEMBL155048 | 48044 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 597 | 9 | 3 | 5 | 6.8 | CC(C)c1cc(C(C)C)c(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)NNC(=O)c3cc4ccccc4s3)CC2)c(C(C)C)c1 | 10.1016/j.bmcl.2003.11.070 | |||
| 44313078 | 204826 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 447 | 6 | 2 | 6 | 4.3 | Cc1ccc(-n2nc(-c3ccc(NS(=O)(=O)c4cccc(N(C)C)c4)cc3)cc2N)cc1 | 10.1016/s0960-894x(01)00448-6 | |||
| CHEMBL75369 | 204826 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 447 | 6 | 2 | 6 | 4.3 | Cc1ccc(-n2nc(-c3ccc(NS(=O)(=O)c4cccc(N(C)C)c4)cc3)cc2N)cc1 | 10.1016/s0960-894x(01)00448-6 | |||
| 44370250 | 51086 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 472 | 6 | 3 | 6 | 2.8 | O=C(NNC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2cccc3cccnc23)CC1)c1cccs1 | 10.1016/j.bmcl.2003.11.070 | |||
| CHEMBL157905 | 51086 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 472 | 6 | 3 | 6 | 2.8 | O=C(NNC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2cccc3cccnc23)CC1)c1cccs1 | 10.1016/j.bmcl.2003.11.070 | |||
| 10253263 | 69491 | 0 | None | - | 0 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 450 | 4 | 1 | 5 | 4.4 | O=C(CN1CCC(N2C(=O)OCc3cc(Cl)ccc32)CC1)Nc1ccc2ncccc2c1 | 10.1021/jm049599u | |||
| CHEMBL193382 | 69491 | 0 | None | - | 0 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 450 | 4 | 1 | 5 | 4.4 | O=C(CN1CCC(N2C(=O)OCc3cc(Cl)ccc32)CC1)Nc1ccc2ncccc2c1 | 10.1021/jm049599u | |||
| 10883239 | 169711 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 373 | 2 | 1 | 5 | 2.5 | CS(=O)(=O)n1c2ccccc2c2cc(NC(=O)N3CCOCC3)ccc21 | 10.1021/jm011125x | |||
| CHEMBL443809 | 169711 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 373 | 2 | 1 | 5 | 2.5 | CS(=O)(=O)n1c2ccccc2c2cc(NC(=O)N3CCOCC3)ccc21 | 10.1021/jm011125x | |||
| 9824246 | 167779 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 434 | 6 | 2 | 6 | 4.2 | COc1ccc(S(=O)(=O)Nc2ccc(-c3cc(N)n(-c4ccc(C)cc4)n3)cc2)cc1 | 10.1016/s0960-894x(01)00449-8 | |||
| CHEMBL430414 | 167779 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 434 | 6 | 2 | 6 | 4.2 | COc1ccc(S(=O)(=O)Nc2ccc(-c3cc(N)n(-c4ccc(C)cc4)n3)cc2)cc1 | 10.1016/s0960-894x(01)00449-8 | |||
| 9824246 | 167779 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 434 | 6 | 2 | 6 | 4.2 | COc1ccc(S(=O)(=O)Nc2ccc(-c3cc(N)n(-c4ccc(C)cc4)n3)cc2)cc1 | 10.1016/s0960-894x(01)00448-6 | |||
| CHEMBL430414 | 167779 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 434 | 6 | 2 | 6 | 4.2 | COc1ccc(S(=O)(=O)Nc2ccc(-c3cc(N)n(-c4ccc(C)cc4)n3)cc2)cc1 | 10.1016/s0960-894x(01)00448-6 | |||
| 44579864 | 193096 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 386 | 2 | 1 | 6 | 4.3 | O=C1O[C@]2(CC[C@H](c3nc4cc(-c5nnco5)ccc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.021 | |||
| CHEMBL522609 | 193096 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 386 | 2 | 1 | 6 | 4.3 | O=C1O[C@]2(CC[C@H](c3nc4cc(-c5nnco5)ccc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.021 | |||
| 44460811 | 163342 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 500 | 6 | 2 | 6 | 5.3 | CN(C)S(=O)(=O)NC[C@H]1CC[C@H](Nc2nc3c(s2)-c2ccccc2Sc2ccccc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
| CHEMBL419104 | 163342 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 500 | 6 | 2 | 6 | 5.3 | CN(C)S(=O)(=O)NC[C@H]1CC[C@H](Nc2nc3c(s2)-c2ccccc2Sc2ccccc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
| 44461003 | 205611 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 476 | 5 | 1 | 4 | 6.5 | CC(=O)C1(c2ccccc2)CCC(CC(=O)Nc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
| CHEMBL81621 | 205611 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 476 | 5 | 1 | 4 | 6.5 | CC(=O)C1(c2ccccc2)CCC(CC(=O)Nc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
| 44460943 | 205612 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 455 | 5 | 2 | 5 | 5.9 | O=C(N[C@H]1CC[C@H](CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1)c1cccs1 | 10.1016/j.bmcl.2004.03.014 | |||
| CHEMBL81636 | 205612 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 455 | 5 | 2 | 5 | 5.9 | O=C(N[C@H]1CC[C@H](CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1)c1cccs1 | 10.1016/j.bmcl.2004.03.014 | |||
| 44461201 | 205862 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 460 | 9 | 2 | 6 | 3.7 | COCCCNCC(=O)N1CCC(CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
| CHEMBL83748 | 205862 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 460 | 9 | 2 | 6 | 3.7 | COCCCNCC(=O)N1CCC(CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
| 71451429 | 81341 | 0 | None | - | 0 | Mouse | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 385 | 5 | 1 | 5 | 3.3 | CCCS(=O)(=O)c1ccc2[nH]c(C3CN(c4ccccc4)CCO3)nc2c1 | 10.1016/j.bmcl.2012.09.025 | |||
| CHEMBL2159160 | 81341 | 0 | None | - | 0 | Mouse | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 385 | 5 | 1 | 5 | 3.3 | CCCS(=O)(=O)c1ccc2[nH]c(C3CN(c4ccccc4)CCO3)nc2c1 | 10.1016/j.bmcl.2012.09.025 | |||
| 10830247 | 28246 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 293 | 2 | 1 | 4 | 3.3 | Cc1nc(N2CCCCC2)c2[nH]c(-c3ccccn3)cc2n1 | 10.1021/jm000269t | |||
| CHEMBL137403 | 28246 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 293 | 2 | 1 | 4 | 3.3 | Cc1nc(N2CCCCC2)c2[nH]c(-c3ccccn3)cc2n1 | 10.1021/jm000269t | |||
| 10810223 | 118779 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 350 | 5 | 1 | 4 | 4.0 | COc1ccc(CCc2cc3[nH]c(C)nc(N4CCCCC4)c-3n2)cc1 | 10.1021/jm000269t | |||
| CHEMBL341993 | 118779 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 350 | 5 | 1 | 4 | 4.0 | COc1ccc(CCc2cc3[nH]c(C)nc(N4CCCCC4)c-3n2)cc1 | 10.1021/jm000269t | |||
| 10047390 | 204970 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 413 | 3 | 1 | 3 | 5.8 | Cc1cc(C(=O)Nc2cc(Cl)cc(Cl)c2)nn1-c1cccc(C(F)(F)F)c1 | 10.1016/s0960-894x(01)00449-8 | |||
| CHEMBL76512 | 204970 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 413 | 3 | 1 | 3 | 5.8 | Cc1cc(C(=O)Nc2cc(Cl)cc(Cl)c2)nn1-c1cccc(C(F)(F)F)c1 | 10.1016/s0960-894x(01)00449-8 | |||
| 44460881 | 205365 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 484 | 7 | 2 | 5 | 5.4 | O=C(CCN1CCCCC1)N[C@H]1CC[C@H](CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
| CHEMBL79815 | 205365 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 484 | 7 | 2 | 5 | 5.4 | O=C(CCN1CCCCC1)N[C@H]1CC[C@H](CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
| 11284878 | 70441 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 601 | 8 | 2 | 7 | 5.3 | CN(C)c1nc(NC2CCC(CNS(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 | 10.1016/j.bmcl.2005.03.052 | |||
| CHEMBL194602 | 70441 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 601 | 8 | 2 | 7 | 5.3 | CN(C)c1nc(NC2CCC(CNS(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 | 10.1016/j.bmcl.2005.03.052 | |||
| 10736625 | 119181 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 314 | 4 | 2 | 3 | 4.5 | Cc1nc(NCc2ccccc2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | |||
| CHEMBL343102 | 119181 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 314 | 4 | 2 | 3 | 4.5 | Cc1nc(NCc2ccccc2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | |||
| 10007341 | 120065 | 3 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 535 | 10 | 2 | 5 | 4.6 | COc1ccc2c(c1)CC(CNCC1CCN(CCNS(=O)(=O)c3cccc4ccccc34)CC1)CCC2 | 10.1016/s0960-894x(02)00002-1 | |||
| CHEMBL350620 | 120065 | 3 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 535 | 10 | 2 | 5 | 4.6 | COc1ccc2c(c1)CC(CNCC1CCN(CCNS(=O)(=O)c3cccc4ccccc34)CC1)CCC2 | 10.1016/s0960-894x(02)00002-1 | |||
| 10007341 | 120065 | 3 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 535 | 10 | 2 | 5 | 4.6 | COc1ccc2c(c1)CC(CNCC1CCN(CCNS(=O)(=O)c3cccc4ccccc34)CC1)CCC2 | 10.1016/s0960-894x(02)00018-5 | |||
| CHEMBL350620 | 120065 | 3 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 535 | 10 | 2 | 5 | 4.6 | COc1ccc2c(c1)CC(CNCC1CCN(CCNS(=O)(=O)c3cccc4ccccc34)CC1)CCC2 | 10.1016/s0960-894x(02)00018-5 | |||
| 44289698 | 173081 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 495 | 6 | 2 | 4 | 5.3 | CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C(=O)NC2CCc3cc(F)ccc3C2Cc2cccnc2)CC1 | 10.1016/s0960-894x(00)00311-5 | |||
| CHEMBL45199 | 173081 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 495 | 6 | 2 | 4 | 5.3 | CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C(=O)NC2CCc3cc(F)ccc3C2Cc2cccnc2)CC1 | 10.1016/s0960-894x(00)00311-5 | |||
| 70695681 | 78355 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 383 | 7 | 3 | 3 | 3.9 | O=C(O)CCc1cccc(CC(=O)Nc2cc(-c3ccc(Cl)cc3)n[nH]2)c1 | 10.1021/jm025513q | |||
| CHEMBL2110162 | 78355 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 383 | 7 | 3 | 3 | 3.9 | O=C(O)CCc1cccc(CC(=O)Nc2cc(-c3ccc(Cl)cc3)n[nH]2)c1 | 10.1021/jm025513q | |||
| 10849420 | 119222 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 230 | 1 | 1 | 3 | 2.5 | Cc1cc2[nH]c(C)nc(N3CCCCC3)c-2n1 | 10.1021/jm000269t | |||
| CHEMBL343394 | 119222 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 230 | 1 | 1 | 3 | 2.5 | Cc1cc2[nH]c(C)nc(N3CCCCC3)c-2n1 | 10.1021/jm000269t | |||
| 12822578 | 60354 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 481 | 5 | 1 | 8 | 3.5 | COc1cc2nc(N3CCC(N4C(=O)CC(C5CCCCC5)CC4=O)CC3)nc(N)c2cc1OC | 10.1016/s0960-894x(00)00177-3 | |||
| CHEMBL17456 | 60354 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 481 | 5 | 1 | 8 | 3.5 | COc1cc2nc(N3CCC(N4C(=O)CC(C5CCCCC5)CC4=O)CC3)nc(N)c2cc1OC | 10.1016/s0960-894x(00)00177-3 | |||
| 44573567 | 187469 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 335 | 3 | 1 | 3 | 3.7 | Fc1ccc(C2(c3ccc(F)cc3)CNC(c3ccccn3)=N2)cc1 | 10.1016/j.bmcl.2009.01.101 | |||
| CHEMBL494018 | 187469 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 335 | 3 | 1 | 3 | 3.7 | Fc1ccc(C2(c3ccc(F)cc3)CNC(c3ccccn3)=N2)cc1 | 10.1016/j.bmcl.2009.01.101 | |||
| 44573606 | 192665 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 335 | 3 | 1 | 3 | 3.7 | Fc1ccc(C2(c3ccc(F)cc3)CNC(c3ccncc3)=N2)cc1 | 10.1016/j.bmcl.2009.01.101 | |||
| CHEMBL521862 | 192665 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 335 | 3 | 1 | 3 | 3.7 | Fc1ccc(C2(c3ccc(F)cc3)CNC(c3ccncc3)=N2)cc1 | 10.1016/j.bmcl.2009.01.101 | |||
| 44573449 | 193133 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 402 | 3 | 1 | 2 | 5.3 | Fc1ccc(C2(c3ccc(F)cc3)CNC(c3ccc(C(F)(F)F)cc3)=N2)cc1 | 10.1016/j.bmcl.2009.01.101 | |||
| CHEMBL522866 | 193133 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 402 | 3 | 1 | 2 | 5.3 | Fc1ccc(C2(c3ccc(F)cc3)CNC(c3ccc(C(F)(F)F)cc3)=N2)cc1 | 10.1016/j.bmcl.2009.01.101 | |||
| 10617610 | 28628 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 310 | 2 | 1 | 3 | 4.1 | Cc1nc(N2CCCCC2)c2[nH]c(-c3ccccc3)c(F)c2n1 | 10.1021/jm000269t | |||
| CHEMBL137711 | 28628 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 310 | 2 | 1 | 3 | 4.1 | Cc1nc(N2CCCCC2)c2[nH]c(-c3ccccc3)c(F)c2n1 | 10.1021/jm000269t | |||
| 44580503 | 187768 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 320 | 1 | 1 | 5 | 2.6 | O=C1OC2(CCN(c3nc4cccnc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.018 | |||
| CHEMBL495725 | 187768 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 320 | 1 | 1 | 5 | 2.6 | O=C1OC2(CCN(c3nc4cccnc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.018 | |||
| 1284592 | 105822 | 43 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 270 | 3 | 1 | 3 | 4.7 | Fc1ccc(-c2csc(Nc3ccccc3)n2)cc1 | 10.1016/j.bmcl.2004.03.014 | |||
| CHEMBL312711 | 105822 | 43 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 270 | 3 | 1 | 3 | 4.7 | Fc1ccc(-c2csc(Nc3ccccc3)n2)cc1 | 10.1016/j.bmcl.2004.03.014 | |||
| 44313092 | 168052 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 447 | 6 | 2 | 6 | 4.3 | Cc1ccc(-n2nc(-c3ccc(NS(=O)(=O)c4ccc(N(C)C)cc4)cc3)cc2N)cc1 | 10.1016/s0960-894x(01)00448-6 | |||
| CHEMBL432352 | 168052 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 447 | 6 | 2 | 6 | 4.3 | Cc1ccc(-n2nc(-c3ccc(NS(=O)(=O)c4ccc(N(C)C)cc4)cc3)cc2N)cc1 | 10.1016/s0960-894x(01)00448-6 | |||
| 10959285 | 205060 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 358 | 4 | 1 | 2 | 5.1 | CN(C(=O)Nc1ccc(Oc2ccccc2)cc1)C1Cc2ccccc2C1 | 10.1021/jm0004547 | |||
| CHEMBL77208 | 205060 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 358 | 4 | 1 | 2 | 5.1 | CN(C(=O)Nc1ccc(Oc2ccccc2)cc1)C1Cc2ccccc2C1 | 10.1021/jm0004547 | |||
| 11068453 | 103156 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 362 | 6 | 3 | 3 | 4.7 | C[C@@H](NC(=O)Nc1ccc(Oc2ccccc2)cc1)[C@@H](O)c1ccccc1 | 10.1021/jm0004547 | |||
| CHEMBL308046 | 103156 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 362 | 6 | 3 | 3 | 4.7 | C[C@@H](NC(=O)Nc1ccc(Oc2ccccc2)cc1)[C@@H](O)c1ccccc1 | 10.1021/jm0004547 | |||
| 44390111 | 62786 | 0 | None | - | 0 | Mouse | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 332 | 4 | 1 | 4 | 4.9 | O=C(c1cnc(Nc2ccc(Cl)cc2)s1)c1ccccc1F | 10.1016/j.bmcl.2005.01.063 | |||
| CHEMBL178412 | 62786 | 0 | None | - | 0 | Mouse | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 332 | 4 | 1 | 4 | 4.9 | O=C(c1cnc(Nc2ccc(Cl)cc2)s1)c1ccccc1F | 10.1016/j.bmcl.2005.01.063 | |||
| 17965215 | 28450 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 320 | 2 | 1 | 3 | 4.7 | Cc1nc2cc(-c3ccccc3)nc-2c(N2C(C)CCCC2C)[nH]1 | 10.1021/jm000269t | |||
| CHEMBL137538 | 28450 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 320 | 2 | 1 | 3 | 4.7 | Cc1nc2cc(-c3ccccc3)nc-2c(N2C(C)CCCC2C)[nH]1 | 10.1021/jm000269t | |||
| 44580665 | 193361 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 395 | 2 | 1 | 4 | 4.9 | O=C1OC2(CCN(c3nc4c(-c5ccccc5)cccc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.018 | |||
| CHEMBL524988 | 193361 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 395 | 2 | 1 | 4 | 4.9 | O=C1OC2(CCN(c3nc4c(-c5ccccc5)cccc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.018 | |||
| 44573647 | 193196 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 360 | 3 | 1 | 4 | 3.5 | N#Cc1cncc(C2=NC(c3ccc(F)cc3)(c3ccc(F)cc3)CN2)c1 | 10.1016/j.bmcl.2009.01.101 | |||
| CHEMBL523339 | 193196 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 360 | 3 | 1 | 4 | 3.5 | N#Cc1cncc(C2=NC(c3ccc(F)cc3)(c3ccc(F)cc3)CN2)c1 | 10.1016/j.bmcl.2009.01.101 | |||
| 44460473 | 205586 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 427 | 4 | 1 | 6 | 3.9 | Cc1ccc2c(c1)-c1nc(NCC3CCN(C(=O)[C@@H]4CCCO4)CC3)sc1CCO2 | 10.1016/j.bmcl.2004.03.014 | |||
| CHEMBL81427 | 205586 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 427 | 4 | 1 | 6 | 3.9 | Cc1ccc2c(c1)-c1nc(NCC3CCN(C(=O)[C@@H]4CCCO4)CC3)sc1CCO2 | 10.1016/j.bmcl.2004.03.014 | |||
| 44461159 | 205678 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 429 | 7 | 1 | 6 | 4.6 | CCCCC(=O)N1CCC(CNc2nc3c(s2)CCOc2ccc(OC)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
| CHEMBL82196 | 205678 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 429 | 7 | 1 | 6 | 4.6 | CCCCC(=O)N1CCC(CNc2nc3c(s2)CCOc2ccc(OC)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
| 44289834 | 168686 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 482 | 6 | 2 | 5 | 3.6 | CC(C)(C)OC(=O)N[C@H]1CCN(CC(=O)NC2CCc3cc(F)ccc3C2Cc2cccnc2)C1 | 10.1016/s0960-894x(00)00311-5 | |||
| CHEMBL43659 | 168686 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 482 | 6 | 2 | 5 | 3.6 | CC(C)(C)OC(=O)N[C@H]1CCN(CC(=O)NC2CCc3cc(F)ccc3C2Cc2cccnc2)C1 | 10.1016/s0960-894x(00)00311-5 | |||
| 23442779 | 126296 | 0 | None | - | 0 | Mouse | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 475 | 11 | 2 | 8 | 3.5 | COc1ccc(OC)c(S(=O)(=O)NCCCNc2nc(C(=O)c3ccccc3C)cs2)c1 | 10.1016/j.bmcl.2005.05.009 | |||
| CHEMBL365021 | 126296 | 0 | None | - | 0 | Mouse | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 475 | 11 | 2 | 8 | 3.5 | COc1ccc(OC)c(S(=O)(=O)NCCCNc2nc(C(=O)c3ccccc3C)cs2)c1 | 10.1016/j.bmcl.2005.05.009 | |||
| 44271382 | 98527 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 479 | 4 | 1 | 5 | 4.7 | O=C(Nc1cccc2ccccc12)C1CCN(C(=O)Cn2c(=O)sc3ccc(Cl)cc32)CC1 | 10.1016/s0960-894x(02)00113-0 | |||
| CHEMBL276283 | 98527 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 479 | 4 | 1 | 5 | 4.7 | O=C(Nc1cccc2ccccc12)C1CCN(C(=O)Cn2c(=O)sc3ccc(Cl)cc32)CC1 | 10.1016/s0960-894x(02)00113-0 | |||
| 71454970 | 81340 | 0 | None | - | 0 | Mouse | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 384 | 5 | 1 | 4 | 4.4 | CCCS(=O)(=O)c1ccc2[nH]c(C3CCOC(c4ccccc4)C3)nc2c1 | 10.1016/j.bmcl.2012.09.025 | |||
| CHEMBL2159159 | 81340 | 0 | None | - | 0 | Mouse | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 384 | 5 | 1 | 4 | 4.4 | CCCS(=O)(=O)c1ccc2[nH]c(C3CCOC(c4ccccc4)C3)nc2c1 | 10.1016/j.bmcl.2012.09.025 | |||
| 10094963 | 12876 | 0 | None | - | 0 | Rat | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 407 | 5 | 1 | 5 | 3.4 | CC(=O)c1ccc(NC(=O)CN2CCC(N3C(=O)OCc4ccccc43)CC2)cc1 | 10.1021/jm049599u | |||
| CHEMBL1188798 | 12876 | 0 | None | - | 0 | Rat | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 407 | 5 | 1 | 5 | 3.4 | CC(=O)c1ccc(NC(=O)CN2CCC(N3C(=O)OCc4ccccc43)CC2)cc1 | 10.1021/jm049599u | |||
| CHEMBL537412 | 12876 | 0 | None | - | 0 | Rat | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 407 | 5 | 1 | 5 | 3.4 | CC(=O)c1ccc(NC(=O)CN2CCC(N3C(=O)OCc4ccccc43)CC2)cc1 | 10.1021/jm049599u | |||
| 10645275 | 119297 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 374 | 3 | 1 | 3 | 4.8 | Cc1nc(N2CCCCC2)c2nc(Cc3cccc(C(F)(F)F)c3)cc-2[nH]1 | 10.1021/jm000269t | |||
| CHEMBL343924 | 119297 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 374 | 3 | 1 | 3 | 4.8 | Cc1nc(N2CCCCC2)c2nc(Cc3cccc(C(F)(F)F)c3)cc-2[nH]1 | 10.1021/jm000269t | |||
| 44289857 | 101307 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 514 | 7 | 3 | 3 | 5.6 | O=C(NC[C@H]1CC[C@H](C(=O)NC2CCc3cc(F)ccc3C2Cc2cccnc2)CC1)Nc1ccccc1 | 10.1016/s0960-894x(00)00311-5 | |||
| CHEMBL296557 | 101307 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 514 | 7 | 3 | 3 | 5.6 | O=C(NC[C@H]1CC[C@H](C(=O)NC2CCc3cc(F)ccc3C2Cc2cccnc2)CC1)Nc1ccccc1 | 10.1016/s0960-894x(00)00311-5 | |||
| 44370180 | 47297 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 471 | 6 | 3 | 5 | 3.4 | O=C(NNC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1)c1cc2ccccc2s1 | 10.1016/j.bmcl.2003.11.070 | |||
| CHEMBL154412 | 47297 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 471 | 6 | 3 | 5 | 3.4 | O=C(NNC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1)c1cc2ccccc2s1 | 10.1016/j.bmcl.2003.11.070 | |||
| 44313061 | 103143 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 449 | 6 | 2 | 7 | 4.1 | Cc1ccc(-n2nc(-c3ccc(NS(=O)(=O)c4ccccc4[N+](=O)[O-])cc3)cc2N)cc1 | 10.1016/s0960-894x(01)00448-6 | |||
| CHEMBL307901 | 103143 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 449 | 6 | 2 | 7 | 4.1 | Cc1ccc(-n2nc(-c3ccc(NS(=O)(=O)c4ccccc4[N+](=O)[O-])cc3)cc2N)cc1 | 10.1016/s0960-894x(01)00448-6 | |||
| 10498644 | 26569 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 322 | 4 | 1 | 4 | 3.8 | Cc1nc(N2CCCCC2)c2nc(COc3ccccc3)cc-2[nH]1 | 10.1021/jm000269t | |||
| CHEMBL136093 | 26569 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 322 | 4 | 1 | 4 | 3.8 | Cc1nc(N2CCCCC2)c2nc(COc3ccccc3)cc-2[nH]1 | 10.1021/jm000269t | |||
| 44460788 | 205306 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 458 | 7 | 1 | 6 | 3.9 | CN(CC(=O)N1CCC(CNc2nc3c(s2)CCOc2ccc(F)cc2-3)CC1)CC1CC1 | 10.1016/j.bmcl.2004.03.014 | |||
| CHEMBL79301 | 205306 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 458 | 7 | 1 | 6 | 3.9 | CN(CC(=O)N1CCC(CNc2nc3c(s2)CCOc2ccc(F)cc2-3)CC1)CC1CC1 | 10.1016/j.bmcl.2004.03.014 | |||
| 44460922 | 205939 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 415 | 6 | 1 | 6 | 3.7 | CCOCC(=O)N1CCC(CNc2nc3c(s2)CCOc2ccc(C)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
| CHEMBL84269 | 205939 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 415 | 6 | 1 | 6 | 3.7 | CCOCC(=O)N1CCC(CNc2nc3c(s2)CCOc2ccc(C)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
| 44573656 | 187213 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 460 | 4 | 0 | 3 | 4.2 | CS(=O)(=O)N1CC2(CCN(C(=O)Cc3ccc(-c4ccccc4)cc3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.02.035 | |||
| CHEMBL492393 | 187213 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 460 | 4 | 0 | 3 | 4.2 | CS(=O)(=O)N1CC2(CCN(C(=O)Cc3ccc(-c4ccccc4)cc3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.02.035 | |||
| 13152287 | 205656 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 282 | 0 | 1 | 4 | 4.5 | Nc1nc2c(s1)-c1ccccc1Sc1ccccc1-2 | 10.1016/j.bmcl.2004.03.014 | |||
| CHEMBL81979 | 205656 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 282 | 0 | 1 | 4 | 4.5 | Nc1nc2c(s1)-c1ccccc1Sc1ccccc1-2 | 10.1016/j.bmcl.2004.03.014 | |||
| 10303307 | 64476 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 565 | 7 | 2 | 6 | 5.8 | CN(C)c1nc(NC2CCC(CNC(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 | 10.1016/j.bmcl.2005.05.121 | |||
| CHEMBL181393 | 64476 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 565 | 7 | 2 | 6 | 5.8 | CN(C)c1nc(NC2CCC(CNC(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 | 10.1016/j.bmcl.2005.05.121 | |||
| 9924211 | 192643 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 344 | 1 | 1 | 5 | 3.1 | N#Cc1ccc2[nH]c(N3CCC4(CC3)OC(=O)c3ccccc34)nc2c1 | 10.1016/j.bmcl.2008.08.018 | |||
| CHEMBL521720 | 192643 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 344 | 1 | 1 | 5 | 3.1 | N#Cc1ccc2[nH]c(N3CCC4(CC3)OC(=O)c3ccccc34)nc2c1 | 10.1016/j.bmcl.2008.08.018 | |||
| 44460707 | 105821 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 431 | 4 | 1 | 6 | 3.7 | O=C([C@@H]1CCCO1)N1CCC(CNc2nc3c(s2)CCOc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
| CHEMBL312710 | 105821 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 431 | 4 | 1 | 6 | 3.7 | O=C([C@@H]1CCCO1)N1CCC(CNc2nc3c(s2)CCOc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
| 44344454 | 103436 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 539 | 9 | 2 | 4 | 5.4 | O=S(=O)(NC[C@H]1CC[C@H](CNC2CCc3cc(F)ccc3C2Cc2cccnc2)CC1)c1ccccc1F | 10.1021/jm990468g | |||
| CHEMBL3084885 | 103436 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 539 | 9 | 2 | 4 | 5.4 | O=S(=O)(NC[C@H]1CC[C@H](CNC2CCc3cc(F)ccc3C2Cc2cccnc2)CC1)c1ccccc1F | 10.1021/jm990468g | |||
| 10403909 | 64544 | 1 | None | - | 0 | Mouse | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 323 | 4 | 1 | 5 | 4.1 | N#Cc1cccc(Nc2ncc(C(=O)c3ccccc3F)s2)c1 | 10.1016/j.bmcl.2005.01.063 | |||
| CHEMBL181458 | 64544 | 1 | None | - | 0 | Mouse | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 323 | 4 | 1 | 5 | 4.1 | N#Cc1cccc(Nc2ncc(C(=O)c3ccccc3F)s2)c1 | 10.1016/j.bmcl.2005.01.063 | |||
| 2350190 | 51857 | 6 | None | - | 0 | Mouse | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 423 | 5 | 1 | 5 | 3.5 | O=S(=O)(c1ccc2[nH]c(SCc3cccc(Cl)c3)nc2c1)N1CCOCC1 | 10.1016/j.bmcl.2012.07.020 | |||
| CHEMBL1585484 | 51857 | 6 | None | - | 0 | Mouse | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 423 | 5 | 1 | 5 | 3.5 | O=S(=O)(c1ccc2[nH]c(SCc3cccc(Cl)c3)nc2c1)N1CCOCC1 | 10.1016/j.bmcl.2012.07.020 | |||
| 2350190 | 51857 | 6 | None | - | 0 | Mouse | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 423 | 5 | 1 | 5 | 3.5 | O=S(=O)(c1ccc2[nH]c(SCc3cccc(Cl)c3)nc2c1)N1CCOCC1 | 10.1016/j.bmcl.2012.11.005 | |||
| CHEMBL1585484 | 51857 | 6 | None | - | 0 | Mouse | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 423 | 5 | 1 | 5 | 3.5 | O=S(=O)(c1ccc2[nH]c(SCc3cccc(Cl)c3)nc2c1)N1CCOCC1 | 10.1016/j.bmcl.2012.11.005 | |||
| 10805667 | 28187 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 320 | 2 | 1 | 3 | 4.4 | Cc1nc2cc(-c3ccccc3)nc-2c(N2CC(C)CC(C)C2)[nH]1 | 10.1021/jm000269t | |||
| CHEMBL137360 | 28187 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 320 | 2 | 1 | 3 | 4.4 | Cc1nc2cc(-c3ccccc3)nc-2c(N2CC(C)CC(C)C2)[nH]1 | 10.1021/jm000269t | |||
| 44377476 | 120036 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 477 | 8 | 2 | 4 | 3.9 | Cc1ccc2c(c1)CC(NCC1CN(CCNS(=O)(=O)c3cccc4ccccc34)C1)CCC2 | 10.1016/s0960-894x(02)00002-1 | |||
| CHEMBL350379 | 120036 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 477 | 8 | 2 | 4 | 3.9 | Cc1ccc2c(c1)CC(NCC1CN(CCNS(=O)(=O)c3cccc4ccccc34)C1)CCC2 | 10.1016/s0960-894x(02)00002-1 | |||
| 71458602 | 81342 | 0 | None | - | 0 | Mouse | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 397 | 5 | 1 | 4 | 3.7 | CCCS(=O)(=O)c1ccc2[nH]c(C3CCC(=O)N(c4ccccc4)C3)nc2c1 | 10.1016/j.bmcl.2012.09.025 | |||
| CHEMBL2159161 | 81342 | 0 | None | - | 0 | Mouse | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 397 | 5 | 1 | 4 | 3.7 | CCCS(=O)(=O)c1ccc2[nH]c(C3CCC(=O)N(c4ccccc4)C3)nc2c1 | 10.1016/j.bmcl.2012.09.025 | |||
| 44313576 | 105486 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 399 | 3 | 1 | 3 | 5.3 | Cc1cc(C(=O)Nc2cccc3c2CCCC3)nn1-c1cccc(C(F)(F)F)c1 | 10.1016/s0960-894x(01)00449-8 | |||
| CHEMBL312086 | 105486 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 399 | 3 | 1 | 3 | 5.3 | Cc1cc(C(=O)Nc2cccc3c2CCCC3)nn1-c1cccc(C(F)(F)F)c1 | 10.1016/s0960-894x(01)00449-8 | |||
| 9981738 | 13946 | 0 | None | - | 0 | Rat | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 424 | 4 | 1 | 5 | 3.8 | N#Cc1ccc(NC(=O)CN2CCC(N3C(=O)OCc4cc(Cl)ccc43)CC2)cc1 | 10.1021/jm049599u | |||
| CHEMBL1196600 | 13946 | 0 | None | - | 0 | Rat | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 424 | 4 | 1 | 5 | 3.8 | N#Cc1ccc(NC(=O)CN2CCC(N3C(=O)OCc4cc(Cl)ccc43)CC2)cc1 | 10.1021/jm049599u | |||
| CHEMBL557583 | 13946 | 0 | None | - | 0 | Rat | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 424 | 4 | 1 | 5 | 3.8 | N#Cc1ccc(NC(=O)CN2CCC(N3C(=O)OCc4cc(Cl)ccc43)CC2)cc1 | 10.1021/jm049599u | |||
| 44580709 | 193339 | 1 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 391 | 3 | 1 | 6 | 3.4 | CCOC(=O)c1ccc2[nH]c(N3CCC4(CC3)OC(=O)c3ccccc34)nc2c1 | 10.1016/j.bmcl.2008.08.018 | |||
| CHEMBL524644 | 193339 | 1 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 391 | 3 | 1 | 6 | 3.4 | CCOC(=O)c1ccc2[nH]c(N3CCC4(CC3)OC(=O)c3ccccc34)nc2c1 | 10.1016/j.bmcl.2008.08.018 | |||
| 18005004 | 197846 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 495 | 5 | 1 | 6 | 3.6 | CCS(=O)(=O)N1CC2(CCN(C(=O)Nc3cn(-c4cccc(OC)c4)cn3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | |||
| CHEMBL572431 | 197846 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 495 | 5 | 1 | 6 | 3.6 | CCS(=O)(=O)N1CC2(CCN(C(=O)Nc3cn(-c4cccc(OC)c4)cn3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | |||
| 10970192 | 11032 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 351 | 2 | 1 | 3 | 4.5 | Cc1cccc2c3cc(NC(=O)N4CCOCC4)ccc3n(C(C)C)c12 | 10.1021/jm011125x | |||
| CHEMBL117563 | 11032 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 351 | 2 | 1 | 3 | 4.5 | Cc1cccc2c3cc(NC(=O)N4CCOCC4)ccc3n(C(C)C)c12 | 10.1021/jm011125x | |||
| 10969955 | 110588 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 343 | 5 | 1 | 3 | 4.8 | CCn1c2ccccc2c2cc(NC(=O)CCc3ccncc3)ccc21 | 10.1021/jm011125x | |||
| CHEMBL325475 | 110588 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 343 | 5 | 1 | 3 | 4.8 | CCn1c2ccccc2c2cc(NC(=O)CCc3ccncc3)ccc21 | 10.1021/jm011125x | |||
| 9862646 | 163460 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 337 | 2 | 1 | 3 | 4.2 | CC(C)n1c2ccccc2c2cc(NC(=O)N3CCOCC3)ccc21 | 10.1021/jm011125x | |||
| CHEMBL419951 | 163460 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 337 | 2 | 1 | 3 | 4.2 | CC(C)n1c2ccccc2c2cc(NC(=O)N3CCOCC3)ccc21 | 10.1021/jm011125x | |||
| 9908946 | 197245 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 400 | 3 | 1 | 6 | 3.7 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ncc(-c4ccccc4)cn3)CC2)c2ccncc21 | 10.1016/j.bmcl.2009.07.103 | |||
| CHEMBL568370 | 197245 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 400 | 3 | 1 | 6 | 3.7 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ncc(-c4ccccc4)cn3)CC2)c2ccncc21 | 10.1016/j.bmcl.2009.07.103 | |||
| 45487538 | 198942 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 432 | 4 | 1 | 6 | 4.2 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ncc(-c4ccccc4CF)cn3)CC2)c2cnccc21 | 10.1016/j.bmcl.2009.07.103 | |||
| CHEMBL584815 | 198942 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 432 | 4 | 1 | 6 | 4.2 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ncc(-c4ccccc4CF)cn3)CC2)c2cnccc21 | 10.1016/j.bmcl.2009.07.103 | |||
| 9908946 | 197245 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 400 | 3 | 1 | 6 | 3.7 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ncc(-c4ccccc4)cn3)CC2)c2ccncc21 | 10.1016/j.bmc.2009.08.019 | |||
| CHEMBL568370 | 197245 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 400 | 3 | 1 | 6 | 3.7 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ncc(-c4ccccc4)cn3)CC2)c2ccncc21 | 10.1016/j.bmc.2009.08.019 | |||
| 46226607 | 199821 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 406 | 3 | 1 | 6 | 3.6 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ccn(-c4cccc(F)c4)n3)CC2)c2cnccc21 | 10.1016/j.bmc.2009.08.019 | |||
| CHEMBL594164 | 199821 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 406 | 3 | 1 | 6 | 3.6 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ccn(-c4cccc(F)c4)n3)CC2)c2cnccc21 | 10.1016/j.bmc.2009.08.019 | |||
| 18004891 | 193288 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 428 | 3 | 2 | 4 | 2.5 | CC(=O)c1ccc(NC(=O)N2CCC3(CC2)CN(S(N)(=O)=O)c2ccccc23)cc1 | 10.1016/j.bmcl.2009.02.035 | |||
| CHEMBL524029 | 193288 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 428 | 3 | 2 | 4 | 2.5 | CC(=O)c1ccc(NC(=O)N2CCC3(CC2)CN(S(N)(=O)=O)c2ccccc23)cc1 | 10.1016/j.bmcl.2009.02.035 | |||
| 9946965 | 193072 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 360 | 3 | 1 | 4 | 3.5 | N#Cc1ccnc(C2=NC(c3ccc(F)cc3)(c3ccc(F)cc3)CN2)c1 | 10.1016/j.bmcl.2009.01.101 | |||
| CHEMBL522456 | 193072 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 360 | 3 | 1 | 4 | 3.5 | N#Cc1ccnc(C2=NC(c3ccc(F)cc3)(c3ccc(F)cc3)CN2)c1 | 10.1016/j.bmcl.2009.01.101 | |||
| 44461200 | 104282 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 446 | 8 | 2 | 6 | 3.3 | COCCNCC(=O)N1CCC(CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
| CHEMBL309967 | 104282 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 446 | 8 | 2 | 6 | 3.3 | COCCNCC(=O)N1CCC(CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
| 44460988 | 105627 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 429 | 4 | 1 | 5 | 4.3 | O=C([C@H]1CCCO1)N1CCC(CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
| CHEMBL312362 | 105627 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 429 | 4 | 1 | 5 | 4.3 | O=C([C@H]1CCCO1)N1CCC(CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
| 10111792 | 105982 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 403 | 5 | 1 | 5 | 3.7 | COCC(=O)N1CCC(CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
| CHEMBL313087 | 105982 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 403 | 5 | 1 | 5 | 3.7 | COCC(=O)N1CCC(CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
| 44461051 | 106128 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 417 | 6 | 1 | 5 | 4.1 | COCCC(=O)N1CCC(CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
| CHEMBL313454 | 106128 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 417 | 6 | 1 | 5 | 4.1 | COCCC(=O)N1CCC(CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
| 44461022 | 168024 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 429 | 4 | 1 | 5 | 4.3 | O=C([C@@H]1CCCO1)N1CCC(CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
| CHEMBL432169 | 168024 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 429 | 4 | 1 | 5 | 4.3 | O=C([C@@H]1CCCO1)N1CCC(CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
| 10272418 | 205592 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 401 | 4 | 1 | 4 | 4.7 | CC(C)C(=O)N1CCC(CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
| CHEMBL81484 | 205592 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 401 | 4 | 1 | 4 | 4.7 | CC(C)C(=O)N1CCC(CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
| 10226374 | 205604 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 458 | 5 | 1 | 6 | 3.4 | O=C(CN1CCOCC1)N1CCC(CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
| CHEMBL81586 | 205604 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 458 | 5 | 1 | 6 | 3.4 | O=C(CN1CCOCC1)N1CCC(CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
| 44460919 | 205674 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 403 | 4 | 2 | 5 | 4.8 | COC(=O)N[C@H]1CC[C@H](CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
| CHEMBL82158 | 205674 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 403 | 4 | 2 | 5 | 4.8 | COC(=O)N[C@H]1CC[C@H](CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
| 44461180 | 205959 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 399 | 4 | 1 | 4 | 4.5 | O=C(C1CC1)N1CCC(CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
| CHEMBL84453 | 205959 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 399 | 4 | 1 | 4 | 4.5 | O=C(C1CC1)N1CCC(CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
| 44271276 | 59955 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 471 | 5 | 1 | 6 | 3.8 | CC(=O)c1cccc(NC(=O)C2CCN(C(=O)Cn3c(=O)sc4ccc(Cl)cc43)CC2)c1 | 10.1016/s0960-894x(02)00113-0 | |||
| CHEMBL17327 | 59955 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 471 | 5 | 1 | 6 | 3.8 | CC(=O)c1cccc(NC(=O)C2CCN(C(=O)Cn3c(=O)sc4ccc(Cl)cc43)CC2)c1 | 10.1016/s0960-894x(02)00113-0 | |||
| 44573705 | 187568 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 462 | 3 | 1 | 4 | 4.1 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(-c4cccnc4)cc3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | |||
| CHEMBL494592 | 187568 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 462 | 3 | 1 | 4 | 4.1 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(-c4cccnc4)cc3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | |||
| 9930851 | 197197 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 400 | 3 | 1 | 6 | 3.7 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ncc(-c4ccccc4)cn3)CC2)c2cccnc21 | 10.1016/j.bmcl.2009.07.103 | |||
| CHEMBL568144 | 197197 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 400 | 3 | 1 | 6 | 3.7 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ncc(-c4ccccc4)cn3)CC2)c2cccnc21 | 10.1016/j.bmcl.2009.07.103 | |||
| 44579888 | 186872 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 454 | 2 | 1 | 6 | 5.4 | O=C1O[C@]2(CC[C@H](c3nc4cc(-c5noc(C(F)(F)F)n5)ccc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.021 | |||
| CHEMBL489608 | 186872 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 454 | 2 | 1 | 6 | 5.4 | O=C1O[C@]2(CC[C@H](c3nc4cc(-c5noc(C(F)(F)F)n5)ccc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.021 | |||
| 9930851 | 197197 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 400 | 3 | 1 | 6 | 3.7 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ncc(-c4ccccc4)cn3)CC2)c2cccnc21 | 10.1016/j.bmc.2009.08.019 | |||
| CHEMBL568144 | 197197 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 400 | 3 | 1 | 6 | 3.7 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ncc(-c4ccccc4)cn3)CC2)c2cccnc21 | 10.1016/j.bmc.2009.08.019 | |||
| 22660756 | 200131 | 1 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 389 | 3 | 1 | 6 | 3.9 | O=C1O[C@]2(CC[C@H](C(=O)Nc3cc(-c4ccccc4)on3)CC2)c2cnccc21 | 10.1016/j.bmc.2009.08.019 | |||
| CHEMBL596264 | 200131 | 1 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 389 | 3 | 1 | 6 | 3.9 | O=C1O[C@]2(CC[C@H](C(=O)Nc3cc(-c4ccccc4)on3)CC2)c2cnccc21 | 10.1016/j.bmc.2009.08.019 | |||
| 46226628 | 201367 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 399 | 3 | 1 | 5 | 4.3 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ccc(-c4ccccc4)cn3)CC2)c2cnccc21 | 10.1016/j.bmc.2009.08.019 | |||
| CHEMBL604480 | 201367 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 399 | 3 | 1 | 5 | 4.3 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ccc(-c4ccccc4)cn3)CC2)c2cnccc21 | 10.1016/j.bmc.2009.08.019 | |||
| 44573705 | 187568 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 462 | 3 | 1 | 4 | 4.1 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(-c4cccnc4)cc3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.02.035 | |||
| CHEMBL494592 | 187568 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 462 | 3 | 1 | 4 | 4.1 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(-c4cccnc4)cc3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.02.035 | |||
| 11491176 | 200043 | 38 | None | - | 1 | Rat | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 406 | 3 | 1 | 6 | 3.6 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ccn(-c4ccccc4F)n3)CC2)c2cnccc21 | 10.1016/j.bmc.2009.08.019 | |||
| CHEMBL595573 | 200043 | 38 | None | - | 1 | Rat | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 406 | 3 | 1 | 6 | 3.6 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ccn(-c4ccccc4F)n3)CC2)c2cnccc21 | 10.1016/j.bmc.2009.08.019 | |||
| 11407098 | 200070 | 0 | None | - | 0 | Rat | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 406 | 3 | 1 | 6 | 3.6 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ccn(-c4ccc(F)cc4)n3)CC2)c2cnccc21 | 10.1016/j.bmc.2009.08.019 | |||
| CHEMBL595790 | 200070 | 0 | None | - | 0 | Rat | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 406 | 3 | 1 | 6 | 3.6 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ccn(-c4ccc(F)cc4)n3)CC2)c2cnccc21 | 10.1016/j.bmc.2009.08.019 | |||
| 10662967 | 25741 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 276 | 2 | 1 | 3 | 3.3 | Cc1nc(N2CC=CC2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | |||
| CHEMBL135262 | 25741 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 276 | 2 | 1 | 3 | 3.3 | Cc1nc(N2CC=CC2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | |||
| 44580223 | 184201 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 399 | 1 | 1 | 6 | 3.6 | O=C1OC2(CCN(c3nc4cc5c(cc4[nH]3)OC(F)(F)O5)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.018 | |||
| CHEMBL483244 | 184201 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 399 | 1 | 1 | 6 | 3.6 | O=C1OC2(CCN(c3nc4cc5c(cc4[nH]3)OC(F)(F)O5)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.018 | |||
| 45481804 | 197850 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 468 | 3 | 1 | 5 | 4.2 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ncc(-c4ccccc4)s3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | |||
| CHEMBL572451 | 197850 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 468 | 3 | 1 | 5 | 4.2 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ncc(-c4ccccc4)s3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | |||
| 45487589 | 196805 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 448 | 5 | 1 | 7 | 4.0 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ncc(-c4ccccc4OCF)cn3)CC2)c2ccncc21 | 10.1016/j.bmcl.2009.07.103 | |||
| CHEMBL565624 | 196805 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 448 | 5 | 1 | 7 | 4.0 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ncc(-c4ccccc4OCF)cn3)CC2)c2ccncc21 | 10.1016/j.bmcl.2009.07.103 | |||
| 45487576 | 198753 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 418 | 3 | 1 | 6 | 3.9 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ncc(-c4ccc(F)cc4)cn3)CC2)c2ccncc21 | 10.1016/j.bmcl.2009.07.103 | |||
| CHEMBL583007 | 198753 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 418 | 3 | 1 | 6 | 3.9 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ncc(-c4ccc(F)cc4)cn3)CC2)c2ccncc21 | 10.1016/j.bmcl.2009.07.103 | |||
| 45487628 | 198944 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 418 | 3 | 1 | 6 | 3.9 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ncc(-c4cccc(F)c4)cn3)CC2)c2cccnc21 | 10.1016/j.bmcl.2009.07.103 | |||
| CHEMBL584902 | 198944 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 418 | 3 | 1 | 6 | 3.9 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ncc(-c4cccc(F)c4)cn3)CC2)c2cccnc21 | 10.1016/j.bmcl.2009.07.103 | |||
| 44583506 | 193373 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 400 | 2 | 1 | 5 | 3.8 | O=C1OC2(CCN(C(=O)Nc3cnc(-c4ccccc4)nc3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | |||
| CHEMBL525173 | 193373 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 400 | 2 | 1 | 5 | 3.8 | O=C1OC2(CCN(C(=O)Nc3cnc(-c4ccccc4)nc3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | |||
| 44579846 | 187022 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 428 | 2 | 1 | 3 | 6.6 | O=C1O[C@]2(CC[C@H](c3nc4cc(Cl)c(-c5ccccc5)cc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.021 | |||
| CHEMBL490824 | 187022 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 428 | 2 | 1 | 3 | 6.6 | O=C1O[C@]2(CC[C@H](c3nc4cc(Cl)c(-c5ccccc5)cc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.021 | |||
| 44579862 | 187073 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 410 | 2 | 1 | 5 | 4.7 | COC(=O)c1cc2[nH]c([C@H]3CC[C@@]4(CC3)OC(=O)c3ccccc34)nc2cc1Cl | 10.1016/j.bmcl.2008.08.021 | |||
| CHEMBL491239 | 187073 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 410 | 2 | 1 | 5 | 4.7 | COC(=O)c1cc2[nH]c([C@H]3CC[C@@]4(CC3)OC(=O)c3ccccc34)nc2cc1Cl | 10.1016/j.bmcl.2008.08.021 | |||
| 46226653 | 200101 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 388 | 3 | 1 | 6 | 3.5 | O=C1O[C@]2(CC[C@H](C(=O)Nc3cnn(-c4ccccc4)c3)CC2)c2cnccc21 | 10.1016/j.bmc.2009.08.019 | |||
| CHEMBL596025 | 200101 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 388 | 3 | 1 | 6 | 3.5 | O=C1O[C@]2(CC[C@H](C(=O)Nc3cnn(-c4ccccc4)c3)CC2)c2cnccc21 | 10.1016/j.bmc.2009.08.019 | |||
| 46226580 | 201855 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 400 | 3 | 1 | 6 | 3.7 | O=C1O[C@]2(CC[C@H](C(=O)Nc3cnc(-c4ccccc4)cn3)CC2)c2cnccc21 | 10.1016/j.bmc.2009.08.019 | |||
| CHEMBL607144 | 201855 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 400 | 3 | 1 | 6 | 3.7 | O=C1O[C@]2(CC[C@H](C(=O)Nc3cnc(-c4ccccc4)cn3)CC2)c2cnccc21 | 10.1016/j.bmc.2009.08.019 | |||
| 15940921 | 200040 | 0 | None | - | 0 | Rat | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 388 | 3 | 1 | 6 | 3.5 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ccn(-c4ccccc4)n3)CC2)c2cnccc21 | 10.1016/j.bmc.2009.08.019 | |||
| CHEMBL595560 | 200040 | 0 | None | - | 0 | Rat | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 388 | 3 | 1 | 6 | 3.5 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ccn(-c4ccccc4)n3)CC2)c2cnccc21 | 10.1016/j.bmc.2009.08.019 | |||
| 68605776 | 125448 | 0 | None | - | 0 | Mouse | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 386 | 6 | 1 | 4 | 4.7 | N#Cc1ccccc1O[C@H]1CC[C@@H](C(=O)Nc2ccc(OC(F)F)cc2)CC1 | nan | |||
| CHEMBL3646142 | 125448 | 0 | None | - | 0 | Mouse | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 386 | 6 | 1 | 4 | 4.7 | N#Cc1ccccc1O[C@H]1CC[C@@H](C(=O)Nc2ccc(OC(F)F)cc2)CC1 | nan | |||
| 22934132 | 204622 | 9 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 275 | 1 | 1 | 2 | 3.9 | Cc1ccc2c(c1)-c1nc(-c3cccnc3)[nH]c1CCC2 | 10.1016/s0960-894x(02)00090-2 | |||
| CHEMBL7342 | 204622 | 9 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 275 | 1 | 1 | 2 | 3.9 | Cc1ccc2c(c1)-c1nc(-c3cccnc3)[nH]c1CCC2 | 10.1016/s0960-894x(02)00090-2 | |||
| 45487530 | 198933 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 432 | 4 | 1 | 6 | 4.2 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ncc(-c4cccc(CF)c4)cn3)CC2)c2cccnc21 | 10.1016/j.bmcl.2009.07.103 | |||
| CHEMBL584732 | 198933 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 432 | 4 | 1 | 6 | 4.2 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ncc(-c4cccc(CF)c4)cn3)CC2)c2cccnc21 | 10.1016/j.bmcl.2009.07.103 | |||
| 44583557 | 187749 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 388 | 2 | 1 | 5 | 3.6 | O=C1OC2(CCN(C(=O)Nc3cnn(-c4ccccc4)c3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | |||
| CHEMBL495594 | 187749 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 388 | 2 | 1 | 5 | 3.6 | O=C1OC2(CCN(C(=O)Nc3cnn(-c4ccccc4)c3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | |||
| 44579810 | 186866 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 394 | 2 | 1 | 3 | 6.0 | O=C1O[C@]2(CC[C@H](c3nc4cc(-c5ccccc5)ccc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.021 | |||
| CHEMBL489587 | 186866 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 394 | 2 | 1 | 3 | 6.0 | O=C1O[C@]2(CC[C@H](c3nc4cc(-c5ccccc5)ccc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.021 | |||
| 15940921 | 200040 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 388 | 3 | 1 | 6 | 3.5 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ccn(-c4ccccc4)n3)CC2)c2cnccc21 | 10.1016/j.bmc.2009.08.019 | |||
| CHEMBL595560 | 200040 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 388 | 3 | 1 | 6 | 3.5 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ccn(-c4ccccc4)n3)CC2)c2cnccc21 | 10.1016/j.bmc.2009.08.019 | |||
| 44271373 | 59539 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 460 | 5 | 1 | 7 | 3.0 | COc1ccc(NC(=O)C2CCN(C(=O)Cn3c(=O)sc4ccc(Cl)cc43)CC2)cn1 | 10.1016/s0960-894x(02)00113-0 | |||
| CHEMBL17165 | 59539 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 460 | 5 | 1 | 7 | 3.0 | COc1ccc(NC(=O)C2CCN(C(=O)Cn3c(=O)sc4ccc(Cl)cc43)CC2)cn1 | 10.1016/s0960-894x(02)00113-0 | |||
| 44271317 | 60411 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 473 | 6 | 1 | 6 | 3.3 | COc1ccc(CNC(=O)C2CCN(C(=O)Cn3c(=O)sc4ccc(Cl)cc43)CC2)cc1 | 10.1016/s0960-894x(02)00113-0 | |||
| CHEMBL17502 | 60411 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 473 | 6 | 1 | 6 | 3.3 | COc1ccc(CNC(=O)C2CCN(C(=O)Cn3c(=O)sc4ccc(Cl)cc43)CC2)cc1 | 10.1016/s0960-894x(02)00113-0 | |||
| 44303643 | 201143 | 0 | None | - | 0 | Rat | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 431 | 6 | 2 | 4 | 5.0 | COc1ccc(-c2cc(NC(=O)CC34CCCC3Cc3ccccc3C4)[nH]n2)cc1OC | 10.1021/jm980521l | |||
| CHEMBL60319 | 201143 | 0 | None | - | 0 | Rat | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 431 | 6 | 2 | 4 | 5.0 | COc1ccc(-c2cc(NC(=O)CC34CCCC3Cc3ccccc3C4)[nH]n2)cc1OC | 10.1021/jm980521l | |||
| 12071667 | 188021 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 395 | 2 | 1 | 4 | 4.9 | O=C1OC2(CCN(c3nc4cc(-c5ccccc5)ccc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.018 | |||
| CHEMBL497569 | 188021 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 395 | 2 | 1 | 4 | 4.9 | O=C1OC2(CCN(c3nc4cc(-c5ccccc5)ccc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.018 | |||
| 9825886 | 198055 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 468 | 3 | 1 | 5 | 4.2 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(-c4nccs4)cc3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | |||
| CHEMBL574088 | 198055 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 468 | 3 | 1 | 5 | 4.2 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(-c4nccs4)cc3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | |||
| 45481807 | 198456 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 451 | 3 | 1 | 5 | 3.2 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3cn(-c4ccccc4)cn3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | |||
| CHEMBL577372 | 198456 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 451 | 3 | 1 | 5 | 3.2 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3cn(-c4ccccc4)cn3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | |||
| 9887225 | 187148 | 3 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 400 | 2 | 1 | 5 | 3.8 | O=C1OC2(CCN(C(=O)Nc3cnc(-c4ccccc4)cn3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | |||
| CHEMBL491930 | 187148 | 3 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 400 | 2 | 1 | 5 | 3.8 | O=C1OC2(CCN(C(=O)Nc3cnc(-c4ccccc4)cn3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | |||
| 44583462 | 193179 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 418 | 2 | 1 | 5 | 4.0 | O=C1OC2(CCN(C(=O)Nc3ncc(-c4ccc(F)cc4)cn3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | |||
| CHEMBL523228 | 193179 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 418 | 2 | 1 | 5 | 4.0 | O=C1OC2(CCN(C(=O)Nc3ncc(-c4ccc(F)cc4)cn3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | |||
| 44579825 | 187070 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 422 | 3 | 1 | 4 | 5.5 | O=C(c1ccccc1)c1ccc2[nH]c([C@H]3CC[C@@]4(CC3)OC(=O)c3ccccc34)nc2c1 | 10.1016/j.bmcl.2008.08.021 | |||
| CHEMBL491230 | 187070 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 422 | 3 | 1 | 4 | 5.5 | O=C(c1ccccc1)c1ccc2[nH]c([C@H]3CC[C@@]4(CC3)OC(=O)c3ccccc34)nc2c1 | 10.1016/j.bmcl.2008.08.021 | |||
| 44579826 | 187098 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 395 | 2 | 1 | 4 | 5.3 | O=C1O[C@]2(CC[C@H](c3nc4cc(-c5ccccn5)ccc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.021 | |||
| CHEMBL491427 | 187098 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 395 | 2 | 1 | 4 | 5.3 | O=C1O[C@]2(CC[C@H](c3nc4cc(-c5ccccn5)ccc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.021 | |||
| 46226636 | 199937 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 389 | 3 | 1 | 6 | 3.9 | O=C1O[C@]2(CC[C@H](C(=O)Nc3cc(-c4ccccc4)on3)CC2)c2ncccc21 | 10.1016/j.bmc.2009.08.019 | |||
| CHEMBL594888 | 199937 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 389 | 3 | 1 | 6 | 3.9 | O=C1O[C@]2(CC[C@H](C(=O)Nc3cc(-c4ccccc4)on3)CC2)c2ncccc21 | 10.1016/j.bmc.2009.08.019 | |||
| 46226627 | 199970 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 400 | 3 | 1 | 6 | 3.7 | O=C1O[C@]2(CC[C@H](C(=O)Nc3cnc(-c4ccccc4)cn3)CC2)c2ccncc21 | 10.1016/j.bmc.2009.08.019 | |||
| CHEMBL595121 | 199970 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 400 | 3 | 1 | 6 | 3.7 | O=C1O[C@]2(CC[C@H](C(=O)Nc3cnc(-c4ccccc4)cn3)CC2)c2ccncc21 | 10.1016/j.bmc.2009.08.019 | |||
| 45481800 | 198508 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 436 | 2 | 1 | 4 | 3.6 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc4ncccc4c3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | |||
| CHEMBL577794 | 198508 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 436 | 2 | 1 | 4 | 3.6 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc4ncccc4c3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | |||
| 70693071 | 76914 | 0 | None | - | 0 | Mouse | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 419 | 3 | 1 | 5 | 3.7 | O=c1ccc(-c2nc3cc(S(=O)(=O)C(F)(F)F)ccc3[nH]2)cn1-c1ccccc1 | 10.1016/j.bmcl.2012.07.020 | |||
| CHEMBL2070160 | 76914 | 0 | None | - | 0 | Mouse | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 419 | 3 | 1 | 5 | 3.7 | O=c1ccc(-c2nc3cc(S(=O)(=O)C(F)(F)F)ccc3[nH]2)cn1-c1ccccc1 | 10.1016/j.bmcl.2012.07.020 | |||
| 9908890 | 199818 | 0 | None | - | 0 | Rat | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 399 | 3 | 1 | 5 | 4.3 | O=C1OC2(CCC(C(=O)Nc3cnc(-c4ccccc4)cn3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.08.019 | |||
| CHEMBL594156 | 199818 | 0 | None | - | 0 | Rat | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 399 | 3 | 1 | 5 | 4.3 | O=C1OC2(CCC(C(=O)Nc3cnc(-c4ccccc4)cn3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.08.019 | |||
| 44401616 | 70033 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 601 | 8 | 2 | 7 | 5.3 | CN(C)c1nc(NCC2CCC(NS(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 | 10.1016/j.bmcl.2005.03.052 | |||
| CHEMBL193970 | 70033 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 601 | 8 | 2 | 7 | 5.3 | CN(C)c1nc(NCC2CCC(NS(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 | 10.1016/j.bmcl.2005.03.052 | |||
| 45481641 | 197848 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 477 | 4 | 1 | 4 | 4.8 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(Oc4ccccc4)cc3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | |||
| CHEMBL572442 | 197848 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 477 | 4 | 1 | 4 | 4.8 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(Oc4ccccc4)cc3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | |||
| 45487632 | 196839 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 448 | 5 | 1 | 7 | 4.0 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ncc(-c4ccccc4OCF)cn3)CC2)c2cnccc21 | 10.1016/j.bmcl.2009.07.103 | |||
| CHEMBL565826 | 196839 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 448 | 5 | 1 | 7 | 4.0 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ncc(-c4ccccc4OCF)cn3)CC2)c2cnccc21 | 10.1016/j.bmcl.2009.07.103 | |||
| 10477251 | 174641 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 420 | 1 | 1 | 3 | 6.0 | O=C1O[C@]2(CC[C@H](c3nc4cc(Cl)c(C(F)(F)F)cc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.021 | |||
| CHEMBL455815 | 174641 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 420 | 1 | 1 | 3 | 6.0 | O=C1O[C@]2(CC[C@H](c3nc4cc(Cl)c(C(F)(F)F)cc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.021 | |||
| 44271373 | 59539 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 460 | 5 | 1 | 7 | 3.0 | COc1ccc(NC(=O)C2CCN(C(=O)Cn3c(=O)sc4ccc(Cl)cc43)CC2)cn1 | 10.1016/s0960-894x(02)00113-0 | |||
| CHEMBL17165 | 59539 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 460 | 5 | 1 | 7 | 3.0 | COc1ccc(NC(=O)C2CCN(C(=O)Cn3c(=O)sc4ccc(Cl)cc43)CC2)cn1 | 10.1016/s0960-894x(02)00113-0 | |||
| 44271289 | 169189 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 493 | 12 | 1 | 5 | 5.2 | CCCCCCCCCCNC(=O)C1CCN(C(=O)Cn2c(=O)sc3ccc(Cl)cc32)CC1 | 10.1016/s0960-894x(02)00113-0 | |||
| CHEMBL440647 | 169189 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 493 | 12 | 1 | 5 | 5.2 | CCCCCCCCCCNC(=O)C1CCN(C(=O)Cn2c(=O)sc3ccc(Cl)cc32)CC1 | 10.1016/s0960-894x(02)00113-0 | |||
| 71519170 | 86176 | 0 | None | - | 0 | Mouse | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 390 | 5 | 1 | 4 | 4.3 | CCS(=O)(=O)c1ccc2[nH]c(C(=O)c3ccc(-c4ccccc4)cc3)nc2c1 | 10.1016/j.bmcl.2012.11.005 | |||
| CHEMBL2312079 | 86176 | 0 | None | - | 0 | Mouse | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 390 | 5 | 1 | 4 | 4.3 | CCS(=O)(=O)c1ccc2[nH]c(C(=O)c3ccc(-c4ccccc4)cc3)nc2c1 | 10.1016/j.bmcl.2012.11.005 | |||
| 20587808 | 187856 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 377 | 2 | 1 | 6 | 3.0 | COC(=O)c1ccc2[nH]c(N3CCC4(CC3)OC(=O)c3ccccc34)nc2c1 | 10.1016/j.bmcl.2008.08.018 | |||
| CHEMBL496327 | 187856 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 377 | 2 | 1 | 6 | 3.0 | COC(=O)c1ccc2[nH]c(N3CCC4(CC3)OC(=O)c3ccccc34)nc2c1 | 10.1016/j.bmcl.2008.08.018 | |||
| 18004934 | 198183 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 427 | 3 | 1 | 4 | 3.2 | CC(=O)c1ccc(NC(=O)N2CCC3(CC2)CN(S(C)(=O)=O)c2ccccc23)cc1 | 10.1016/j.bmc.2009.05.064 | |||
| CHEMBL574996 | 198183 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 427 | 3 | 1 | 4 | 3.2 | CC(=O)c1ccc(NC(=O)N2CCC3(CC2)CN(S(C)(=O)=O)c2ccccc23)cc1 | 10.1016/j.bmc.2009.05.064 | |||
| 45487631 | 196807 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 418 | 3 | 1 | 6 | 3.9 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ncc(-c4ccc(F)cc4)cn3)CC2)c2cnccc21 | 10.1016/j.bmcl.2009.07.103 | |||
| CHEMBL565626 | 196807 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 418 | 3 | 1 | 6 | 3.9 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ncc(-c4ccc(F)cc4)cn3)CC2)c2cnccc21 | 10.1016/j.bmcl.2009.07.103 | |||
| 46226612 | 201748 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 388 | 3 | 2 | 5 | 3.7 | O=C1O[C@]2(CC[C@H](C(=O)Nc3cc(-c4ccccc4)[nH]n3)CC2)c2cnccc21 | 10.1016/j.bmc.2009.08.019 | |||
| CHEMBL606631 | 201748 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 388 | 3 | 2 | 5 | 3.7 | O=C1O[C@]2(CC[C@H](C(=O)Nc3cc(-c4ccccc4)[nH]n3)CC2)c2cnccc21 | 10.1016/j.bmc.2009.08.019 | |||
| 10133076 | 193256 | 3 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 359 | 3 | 1 | 3 | 4.1 | N#Cc1cccc(C2=NC(c3ccc(F)cc3)(c3ccc(F)cc3)CN2)c1 | 10.1016/j.bmcl.2009.01.101 | |||
| CHEMBL523819 | 193256 | 3 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 359 | 3 | 1 | 3 | 4.1 | N#Cc1cccc(C2=NC(c3ccc(F)cc3)(c3ccc(F)cc3)CN2)c1 | 10.1016/j.bmcl.2009.01.101 | |||
| 70695118 | 76900 | 0 | None | - | 0 | Mouse | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 380 | 4 | 1 | 3 | 4.8 | CCS(=O)(=O)c1ccc2[nH]c(-c3cccc(-c4ccccc4)c3F)nc2c1 | 10.1016/j.bmcl.2012.07.020 | |||
| CHEMBL2070146 | 76900 | 0 | None | - | 0 | Mouse | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 380 | 4 | 1 | 3 | 4.8 | CCS(=O)(=O)c1ccc2[nH]c(-c3cccc(-c4ccccc4)c3F)nc2c1 | 10.1016/j.bmcl.2012.07.020 | |||
| 9895868 | 69582 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 615 | 9 | 2 | 7 | 5.6 | CN(C)c1nc(NCC2CCC(CNS(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 | 10.1016/j.bmcl.2005.03.052 | |||
| CHEMBL193438 | 69582 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 615 | 9 | 2 | 7 | 5.6 | CN(C)c1nc(NCC2CCC(CNS(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 | 10.1016/j.bmcl.2005.03.052 | |||
| 9895868 | 12899 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 615 | 9 | 2 | 7 | 5.6 | CN(C)c1nc(NC[C@H]2CC[C@H](CNS(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 | 10.1016/j.bmcl.2005.05.121 | |||
| CHEMBL1188966 | 12899 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 615 | 9 | 2 | 7 | 5.6 | CN(C)c1nc(NC[C@H]2CC[C@H](CNS(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 | 10.1016/j.bmcl.2005.05.121 | |||
| CHEMBL537846 | 12899 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 615 | 9 | 2 | 7 | 5.6 | CN(C)c1nc(NC[C@H]2CC[C@H](CNS(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 | 10.1016/j.bmcl.2005.05.121 | |||
| 45481811 | 198149 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 468 | 3 | 1 | 5 | 4.2 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(-c4cscn4)cc3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | |||
| CHEMBL574771 | 198149 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 468 | 3 | 1 | 5 | 4.2 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(-c4cscn4)cc3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | |||
| 46226575 | 201861 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 389 | 3 | 1 | 6 | 3.9 | O=C1O[C@]2(CC[C@H](C(=O)Nc3cc(-c4ccccc4)on3)CC2)c2cccnc21 | 10.1016/j.bmc.2009.08.019 | |||
| CHEMBL607192 | 201861 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 389 | 3 | 1 | 6 | 3.9 | O=C1O[C@]2(CC[C@H](C(=O)Nc3cc(-c4ccccc4)on3)CC2)c2cccnc21 | 10.1016/j.bmc.2009.08.019 | |||
| 10314778 | 63972 | 1 | None | - | 0 | Mouse | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 333 | 5 | 1 | 5 | 4.6 | CCc1ccccc1C(=O)c1cnc(Nc2cccc(C#N)c2)s1 | 10.1016/j.bmcl.2005.01.063 | |||
| CHEMBL180692 | 63972 | 1 | None | - | 0 | Mouse | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 333 | 5 | 1 | 5 | 4.6 | CCc1ccccc1C(=O)c1cnc(Nc2cccc(C#N)c2)s1 | 10.1016/j.bmcl.2005.01.063 | |||
| 44271355 | 59652 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 500 | 4 | 1 | 7 | 4.5 | Cc1ccc2nc(NC(=O)C3CCN(C(=O)Cn4c(=O)sc5ccc(Cl)cc54)CC3)sc2c1 | 10.1016/s0960-894x(02)00113-0 | |||
| CHEMBL17214 | 59652 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 500 | 4 | 1 | 7 | 4.5 | Cc1ccc2nc(NC(=O)C3CCN(C(=O)Cn4c(=O)sc5ccc(Cl)cc54)CC3)sc2c1 | 10.1016/s0960-894x(02)00113-0 | |||
| 71519165 | 86170 | 0 | None | - | 0 | Mouse | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 378 | 5 | 1 | 4 | 4.8 | CCS(=O)(=O)c1ccc2[nH]c(Oc3ccc(-c4ccccc4)cc3)nc2c1 | 10.1016/j.bmcl.2012.11.005 | |||
| CHEMBL2312073 | 86170 | 0 | None | - | 0 | Mouse | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 378 | 5 | 1 | 4 | 4.8 | CCS(=O)(=O)c1ccc2[nH]c(Oc3ccc(-c4ccccc4)cc3)nc2c1 | 10.1016/j.bmcl.2012.11.005 | |||
| 68615948 | 125437 | 0 | None | - | 0 | Mouse | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 431 | 5 | 2 | 5 | 3.8 | N#Cc1ccccc1C(=O)N[C@H]1CC[C@@H](C(=O)Nc2ccn(-c3ccccc3F)n2)CC1 | nan | |||
| CHEMBL3646131 | 125437 | 0 | None | - | 0 | Mouse | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 431 | 5 | 2 | 5 | 3.8 | N#Cc1ccccc1C(=O)N[C@H]1CC[C@@H](C(=O)Nc2ccn(-c3ccccc3F)n2)CC1 | nan | |||
| 68605737 | 125445 | 0 | None | - | 0 | Mouse | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 397 | 5 | 2 | 5 | 4.2 | O=C(Nc1ccn(-c2ccccc2F)n1)[C@H]1CC[C@@H](Nc2cccc(F)n2)CC1 | nan | |||
| CHEMBL3646139 | 125445 | 0 | None | - | 0 | Mouse | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 397 | 5 | 2 | 5 | 4.2 | O=C(Nc1ccn(-c2ccccc2F)n1)[C@H]1CC[C@@H](Nc2cccc(F)n2)CC1 | nan | |||
| 1562 | 899 | 13 | None | - | 2 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 475 | 7 | 3 | 6 | 4.6 | Nc1nc(NCC2CCC(CC2)CNS(=O)(=O)c2cccc3c2cccc3)nc2c1cccc2 | 10.1016/s0960-894x(00)00177-3 | |||
| 5312114 | 899 | 13 | None | - | 2 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 475 | 7 | 3 | 6 | 4.6 | Nc1nc(NCC2CCC(CC2)CNS(=O)(=O)c2cccc3c2cccc3)nc2c1cccc2 | 10.1016/s0960-894x(00)00177-3 | |||
| CHEMBL17645 | 899 | 13 | None | - | 2 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 475 | 7 | 3 | 6 | 4.6 | Nc1nc(NCC2CCC(CC2)CNS(=O)(=O)c2cccc3c2cccc3)nc2c1cccc2 | 10.1016/s0960-894x(00)00177-3 | |||
| CHEMBL195380 | 899 | 13 | None | - | 2 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 475 | 7 | 3 | 6 | 4.6 | Nc1nc(NCC2CCC(CC2)CNS(=O)(=O)c2cccc3c2cccc3)nc2c1cccc2 | 10.1016/s0960-894x(00)00177-3 | |||
| 45487565 | 199023 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 400 | 3 | 1 | 6 | 3.7 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ncc(-c4ccccc4)cn3)CC2)c2ncccc21 | 10.1016/j.bmcl.2009.07.103 | |||
| CHEMBL585851 | 199023 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 400 | 3 | 1 | 6 | 3.7 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ncc(-c4ccccc4)cn3)CC2)c2ncccc21 | 10.1016/j.bmcl.2009.07.103 | |||
| 44583556 | 187748 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 388 | 2 | 1 | 5 | 3.6 | O=C1OC2(CCN(C(=O)Nc3ccn(-c4ccccc4)n3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | |||
| CHEMBL495593 | 187748 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 388 | 2 | 1 | 5 | 3.6 | O=C1OC2(CCN(C(=O)Nc3ccn(-c4ccccc4)n3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | |||
| 45487565 | 199023 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 400 | 3 | 1 | 6 | 3.7 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ncc(-c4ccccc4)cn3)CC2)c2ncccc21 | 10.1016/j.bmc.2009.08.019 | |||
| CHEMBL585851 | 199023 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 400 | 3 | 1 | 6 | 3.7 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ncc(-c4ccccc4)cn3)CC2)c2ncccc21 | 10.1016/j.bmc.2009.08.019 | |||
| 46226635 | 200132 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 388 | 3 | 2 | 5 | 3.7 | O=C1O[C@]2(CC[C@H](C(=O)Nc3cc(-c4ccccc4)[nH]n3)CC2)c2ccncc21 | 10.1016/j.bmc.2009.08.019 | |||
| CHEMBL596266 | 200132 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 388 | 3 | 2 | 5 | 3.7 | O=C1O[C@]2(CC[C@H](C(=O)Nc3cc(-c4ccccc4)[nH]n3)CC2)c2ccncc21 | 10.1016/j.bmc.2009.08.019 | |||
| 1562 | 899 | 13 | None | - | 2 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 475 | 7 | 3 | 6 | 4.6 | Nc1nc(NCC2CCC(CC2)CNS(=O)(=O)c2cccc3c2cccc3)nc2c1cccc2 | 10.1016/j.bmcl.2003.11.070 | |||
| 5312114 | 899 | 13 | None | - | 2 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 475 | 7 | 3 | 6 | 4.6 | Nc1nc(NCC2CCC(CC2)CNS(=O)(=O)c2cccc3c2cccc3)nc2c1cccc2 | 10.1016/j.bmcl.2003.11.070 | |||
| CHEMBL17645 | 899 | 13 | None | - | 2 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 475 | 7 | 3 | 6 | 4.6 | Nc1nc(NCC2CCC(CC2)CNS(=O)(=O)c2cccc3c2cccc3)nc2c1cccc2 | 10.1016/j.bmcl.2003.11.070 | |||
| CHEMBL195380 | 899 | 13 | None | - | 2 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 475 | 7 | 3 | 6 | 4.6 | Nc1nc(NCC2CCC(CC2)CNS(=O)(=O)c2cccc3c2cccc3)nc2c1cccc2 | 10.1016/j.bmcl.2003.11.070 | |||
| 9867212 | 104895 | 0 | None | - | 0 | Rat | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 427 | 4 | 1 | 6 | 3.9 | Cc1ccc2c(c1)-c1nc(NCC3CCN(C(=O)[C@H]4CCCO4)CC3)sc1CCO2 | 10.1016/j.bmcl.2004.03.014 | |||
| CHEMBL311229 | 104895 | 0 | None | - | 0 | Rat | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 427 | 4 | 1 | 6 | 3.9 | Cc1ccc2c(c1)-c1nc(NCC3CCN(C(=O)[C@H]4CCCO4)CC3)sc1CCO2 | 10.1016/j.bmcl.2004.03.014 | |||
| 44271267 | 98786 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 473 | 6 | 2 | 6 | 3.1 | O=C(Nc1ccc(CCO)cc1)C1CCN(C(=O)Cn2c(=O)sc3ccc(Cl)cc32)CC1 | 10.1016/s0960-894x(02)00113-0 | |||
| CHEMBL278280 | 98786 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 473 | 6 | 2 | 6 | 3.1 | O=C(Nc1ccc(CCO)cc1)C1CCN(C(=O)Cn2c(=O)sc3ccc(Cl)cc32)CC1 | 10.1016/s0960-894x(02)00113-0 | |||
| 60197259 | 86172 | 1 | None | - | 0 | Mouse | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 379 | 5 | 1 | 5 | 4.2 | CCS(=O)(=O)c1ccc2[nH]c(Oc3ccc(-c4ccccc4)nc3)nc2c1 | 10.1016/j.bmcl.2012.11.005 | |||
| CHEMBL2312075 | 86172 | 1 | None | - | 0 | Mouse | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 379 | 5 | 1 | 5 | 4.2 | CCS(=O)(=O)c1ccc2[nH]c(Oc3ccc(-c4ccccc4)nc3)nc2c1 | 10.1016/j.bmcl.2012.11.005 | |||
| 10831203 | 119453 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 306 | 3 | 1 | 3 | 4.2 | CCc1nc(N2CCCCC2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | |||
| CHEMBL345082 | 119453 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 306 | 3 | 1 | 3 | 4.2 | CCc1nc(N2CCCCC2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | |||
| 44580745 | 193409 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 376 | 2 | 2 | 5 | 2.6 | CNC(=O)c1ccc2[nH]c(N3CCC4(CC3)OC(=O)c3ccccc34)nc2c1 | 10.1016/j.bmcl.2008.08.018 | |||
| CHEMBL525908 | 193409 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 376 | 2 | 2 | 5 | 2.6 | CNC(=O)c1ccc2[nH]c(N3CCC4(CC3)OC(=O)c3ccccc34)nc2c1 | 10.1016/j.bmcl.2008.08.018 | |||
| 44312754 | 103411 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 493 | 6 | 3 | 6 | 4.3 | Nc1ccccc1S(=O)(=O)NCC1CCC(c2cc(N)n(-c3ccc(C(F)(F)F)cc3)n2)CC1 | 10.1016/s0960-894x(01)00448-6 | |||
| CHEMBL3084800 | 103411 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 493 | 6 | 3 | 6 | 4.3 | Nc1ccccc1S(=O)(=O)NCC1CCC(c2cc(N)n(-c3ccc(C(F)(F)F)cc3)n2)CC1 | 10.1016/s0960-894x(01)00448-6 | |||
| 22934129 | 204086 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 261 | 1 | 1 | 2 | 3.6 | c1ccc2c(c1)CCCc1nc(-c3ccncc3)[nH]c1-2 | 10.1016/s0960-894x(02)00090-2 | |||
| CHEMBL7017 | 204086 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 261 | 1 | 1 | 2 | 3.6 | c1ccc2c(c1)CCCc1nc(-c3ccncc3)[nH]c1-2 | 10.1016/s0960-894x(02)00090-2 | |||
| 44583505 | 188044 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 468 | 2 | 1 | 5 | 4.9 | O=C1OC2(CCN(C(=O)Nc3ncc(-c4ccc(C(F)(F)F)cc4)cn3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | |||
| CHEMBL497644 | 188044 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 468 | 2 | 1 | 5 | 4.9 | O=C1OC2(CCN(C(=O)Nc3ncc(-c4ccc(C(F)(F)F)cc4)cn3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | |||
| 44579806 | 186988 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 343 | 1 | 1 | 4 | 4.2 | N#Cc1ccc2[nH]c([C@H]3CC[C@@]4(CC3)OC(=O)c3ccccc34)nc2c1 | 10.1016/j.bmcl.2008.08.021 | |||
| CHEMBL490608 | 186988 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 343 | 1 | 1 | 4 | 4.2 | N#Cc1ccc2[nH]c([C@H]3CC[C@@]4(CC3)OC(=O)c3ccccc34)nc2c1 | 10.1016/j.bmcl.2008.08.021 | |||
| 44460681 | 205399 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 453 | 4 | 1 | 4 | 5.5 | O=C(c1ccccc1F)N1CCC(CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
| CHEMBL80041 | 205399 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 453 | 4 | 1 | 4 | 5.5 | O=C(c1ccccc1F)N1CCC(CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
| 44461118 | 205942 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 451 | 6 | 1 | 5 | 5.4 | CCCCC(=O)N1CCC(CNc2nc3c(s2)CCOc2cc(F)c(Cl)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
| CHEMBL84285 | 205942 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 451 | 6 | 1 | 5 | 5.4 | CCCCC(=O)N1CCC(CNc2nc3c(s2)CCOc2cc(F)c(Cl)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
| 10368454 | 12819 | 0 | None | - | 0 | Rat | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 457 | 6 | 1 | 5 | 5.0 | O=C(CN1CCC(N2C(=O)OCc3ccccc32)CC1)Nc1ccc(Oc2ccccc2)cc1 | 10.1021/jm049599u | |||
| CHEMBL1188311 | 12819 | 0 | None | - | 0 | Rat | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 457 | 6 | 1 | 5 | 5.0 | O=C(CN1CCC(N2C(=O)OCc3ccccc32)CC1)Nc1ccc(Oc2ccccc2)cc1 | 10.1021/jm049599u | |||
| CHEMBL536048 | 12819 | 0 | None | - | 0 | Rat | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 457 | 6 | 1 | 5 | 5.0 | O=C(CN1CCC(N2C(=O)OCc3ccccc32)CC1)Nc1ccc(Oc2ccccc2)cc1 | 10.1021/jm049599u | |||
| 10872843 | 102938 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 390 | 7 | 2 | 3 | 4.9 | C[C@H]([C@@H](O)c1ccccc1)N(C)C(=O)Nc1ccc(OCc2ccccc2)cc1 | 10.1021/jm0004547 | |||
| CHEMBL306277 | 102938 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 390 | 7 | 2 | 3 | 4.9 | C[C@H]([C@@H](O)c1ccccc1)N(C)C(=O)Nc1ccc(OCc2ccccc2)cc1 | 10.1021/jm0004547 | |||
| 10044852 | 132486 | 1 | None | - | 0 | Mouse | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 373 | 4 | 1 | 5 | 5.0 | N#Cc1cccc(Nc2ncc(C(=O)c3ccccc3C(F)(F)F)s2)c1 | 10.1016/j.bmcl.2005.01.063 | |||
| CHEMBL369763 | 132486 | 1 | None | - | 0 | Mouse | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 373 | 4 | 1 | 5 | 5.0 | N#Cc1cccc(Nc2ncc(C(=O)c3ccccc3C(F)(F)F)s2)c1 | 10.1016/j.bmcl.2005.01.063 | |||
| 44370240 | 47851 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 435 | 6 | 3 | 5 | 2.6 | Cc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)NNC(=O)c3cccs3)CC2)cc1 | 10.1016/j.bmcl.2003.11.070 | |||
| CHEMBL154889 | 47851 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 435 | 6 | 3 | 5 | 2.6 | Cc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)NNC(=O)c3cccs3)CC2)cc1 | 10.1016/j.bmcl.2003.11.070 | |||
| 18004985 | 187238 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 460 | 4 | 1 | 3 | 5.2 | CS(=O)(=O)N1C[C@]2(CC[C@@H](C(=O)Nc3ccc(-c4ccccc4)cc3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.02.035 | |||
| CHEMBL492582 | 187238 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 460 | 4 | 1 | 3 | 5.2 | CS(=O)(=O)N1C[C@]2(CC[C@@H](C(=O)Nc3ccc(-c4ccccc4)cc3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.02.035 | |||
| 44271463 | 60331 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 307 | 6 | 3 | 5 | 3.0 | NCCCCNc1nc(N)c2cc(-c3ccccc3)ccc2n1 | 10.1016/s0960-894x(00)00177-3 | |||
| CHEMBL17441 | 60331 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 307 | 6 | 3 | 5 | 3.0 | NCCCCNc1nc(N)c2cc(-c3ccccc3)ccc2n1 | 10.1016/s0960-894x(00)00177-3 | |||
| 71450852 | 78583 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 490 | 8 | 3 | 5 | 2.8 | N[C@@H](CCCCNS(=O)(=O)c1ccccc1F)C(=O)NC1=NC2CCc3cc(F)ccc3C2C1 | 10.1016/s0960-894x(99)00676-9 | |||
| CHEMBL2112218 | 78583 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 490 | 8 | 3 | 5 | 2.8 | N[C@@H](CCCCNS(=O)(=O)c1ccccc1F)C(=O)NC1=NC2CCc3cc(F)ccc3C2C1 | 10.1016/s0960-894x(99)00676-9 | |||
| 44460704 | 205748 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 429 | 6 | 1 | 6 | 4.1 | Cc1ccc2c(c1)-c1nc(NCC3CCN(C(=O)COC(C)C)CC3)sc1CCO2 | 10.1016/j.bmcl.2004.03.014 | |||
| CHEMBL82710 | 205748 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 429 | 6 | 1 | 6 | 4.1 | Cc1ccc2c(c1)-c1nc(NCC3CCN(C(=O)COC(C)C)CC3)sc1CCO2 | 10.1016/j.bmcl.2004.03.014 | |||
| 9934437 | 103440 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 470 | 9 | 2 | 3 | 5.2 | C=CCC1c2ccc(F)cc2CCC1NC[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1 | 10.1021/jm990468g | |||
| CHEMBL3084890 | 103440 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 470 | 9 | 2 | 3 | 5.2 | C=CCC1c2ccc(F)cc2CCC1NC[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1 | 10.1021/jm990468g | |||
| 11754800 | 12867 | 0 | None | - | 0 | Rat | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 441 | 5 | 1 | 5 | 4.1 | CC(=O)c1ccc(NC(=O)CN2CCC(N3C(=O)OCc4cc(Cl)ccc43)CC2)cc1 | 10.1021/jm049599u | |||
| CHEMBL1188721 | 12867 | 0 | None | - | 0 | Rat | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 441 | 5 | 1 | 5 | 4.1 | CC(=O)c1ccc(NC(=O)CN2CCC(N3C(=O)OCc4cc(Cl)ccc43)CC2)cc1 | 10.1021/jm049599u | |||
| CHEMBL537191 | 12867 | 0 | None | - | 0 | Rat | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 441 | 5 | 1 | 5 | 4.1 | CC(=O)c1ccc(NC(=O)CN2CCC(N3C(=O)OCc4cc(Cl)ccc43)CC2)cc1 | 10.1021/jm049599u | |||
| 70697154 | 76906 | 0 | None | - | 0 | Mouse | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 376 | 4 | 1 | 3 | 5.0 | CCS(=O)(=O)c1ccc2[nH]c(-c3cccc(-c4ccccc4)c3C)nc2c1 | 10.1016/j.bmcl.2012.07.020 | |||
| CHEMBL2070152 | 76906 | 0 | None | - | 0 | Mouse | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 376 | 4 | 1 | 3 | 5.0 | CCS(=O)(=O)c1ccc2[nH]c(-c3cccc(-c4ccccc4)c3C)nc2c1 | 10.1016/j.bmcl.2012.07.020 | |||
| 44271460 | 60345 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 473 | 13 | 2 | 5 | 7.1 | CCCCN(CCCC)CCCNc1nc(Nc2cccc(C(F)(F)F)c2)c2ccccc2n1 | 10.1016/s0960-894x(00)00177-3 | |||
| CHEMBL17450 | 60345 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 473 | 13 | 2 | 5 | 7.1 | CCCCN(CCCC)CCCNc1nc(Nc2cccc(C(F)(F)F)c2)c2ccccc2n1 | 10.1016/s0960-894x(00)00177-3 | |||
| 44377734 | 119864 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 491 | 8 | 2 | 4 | 4.4 | O=S(=O)(NCCN1CCC(CNC2CCCc3ccccc3C2)CC1)c1cccc2ccccc12 | 10.1016/s0960-894x(02)00002-1 | |||
| CHEMBL348806 | 119864 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 491 | 8 | 2 | 4 | 4.4 | O=S(=O)(NCCN1CCC(CNC2CCCc3ccccc3C2)CC1)c1cccc2ccccc12 | 10.1016/s0960-894x(02)00002-1 | |||
| 44460868 | 168123 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 513 | 7 | 2 | 6 | 4.6 | CC(C)N1CCN(CC(=O)N[C@H]2CC[C@H](CNc3nc4c(s3)CCCc3ccc(F)cc3-4)CC2)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
| CHEMBL432931 | 168123 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 513 | 7 | 2 | 6 | 4.6 | CC(C)N1CCN(CC(=O)N[C@H]2CC[C@H](CNc3nc4c(s3)CCCc3ccc(F)cc3-4)CC2)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
| 10451123 | 105619 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 359 | 3 | 1 | 3 | 5.0 | Cc1cccc(-n2nc(C(=O)Nc3cc(Cl)cc(Cl)c3)cc2C)c1 | 10.1016/s0960-894x(01)00449-8 | |||
| CHEMBL312308 | 105619 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 359 | 3 | 1 | 3 | 5.0 | Cc1cccc(-n2nc(C(=O)Nc3cc(Cl)cc(Cl)c3)cc2C)c1 | 10.1016/s0960-894x(01)00449-8 | |||
| 44460712 | 105511 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 419 | 6 | 1 | 6 | 3.6 | COCCC(=O)N1CCC(CNc2nc3c(s2)CCOc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
| CHEMBL312169 | 105511 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 419 | 6 | 1 | 6 | 3.6 | COCCC(=O)N1CCC(CNc2nc3c(s2)CCOc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
| 44344259 | 113093 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 542 | 11 | 3 | 5 | 3.6 | N[C@@H](CCCCNS(=O)(=O)c1ccccc1F)C(=O)NC1CCc2cc(F)ccc2C1Cc1cccnc1 | 10.1021/jm990468g | |||
| CHEMBL331319 | 113093 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 542 | 11 | 3 | 5 | 3.6 | N[C@@H](CCCCNS(=O)(=O)c1ccccc1F)C(=O)NC1CCc2cc(F)ccc2C1Cc1cccnc1 | 10.1021/jm990468g | |||
| 9891987 | 101514 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 495 | 6 | 2 | 6 | 4.2 | O=C(CN1CCC(n2c(O)nc3ccccc32)CC1)NC1CCc2ccccc2C1Cc1cccnc1 | 10.1016/s0960-894x(00)00311-5 | |||
| CHEMBL298037 | 101514 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 495 | 6 | 2 | 6 | 4.2 | O=C(CN1CCC(n2c(O)nc3ccccc32)CC1)NC1CCc2ccccc2C1Cc1cccnc1 | 10.1016/s0960-894x(00)00311-5 | |||
| 71519004 | 86168 | 0 | None | - | 0 | Mouse | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 386 | 5 | 1 | 5 | 4.0 | CCS(=O)(=O)c1ccc2[nH]c(Oc3ccc(OC(F)(F)F)cc3)nc2c1 | 10.1016/j.bmcl.2012.11.005 | |||
| CHEMBL2312071 | 86168 | 0 | None | - | 0 | Mouse | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 386 | 5 | 1 | 5 | 4.0 | CCS(=O)(=O)c1ccc2[nH]c(Oc3ccc(OC(F)(F)F)cc3)nc2c1 | 10.1016/j.bmcl.2012.11.005 | |||
| 9949840 | 28733 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 340 | 2 | 1 | 3 | 4.5 | Cc1nc(N2CCc3ccccc3C2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | |||
| CHEMBL137808 | 28733 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 340 | 2 | 1 | 3 | 4.5 | Cc1nc(N2CCc3ccccc3C2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | |||
| 10638643 | 116711 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 309 | 2 | 0 | 4 | 4.7 | Cc1nc(N2CCCCC2)c2sc(-c3ccccc3)cc2n1 | 10.1021/jm000269t | |||
| CHEMBL337305 | 116711 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 309 | 2 | 0 | 4 | 4.7 | Cc1nc(N2CCCCC2)c2sc(-c3ccccc3)cc2n1 | 10.1021/jm000269t | |||
| 10970360 | 168514 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 357 | 5 | 0 | 3 | 4.8 | CCn1c2ccccc2c2cc(N(C)C(=O)CCc3ccncc3)ccc21 | 10.1021/jm011125x | |||
| CHEMBL435384 | 168514 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 357 | 5 | 0 | 3 | 4.8 | CCn1c2ccccc2c2cc(N(C)C(=O)CCc3ccncc3)ccc21 | 10.1021/jm011125x | |||
| 44390066 | 63832 | 1 | None | - | 0 | Mouse | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 335 | 5 | 1 | 6 | 4.0 | COc1ccc(C(=O)c2cnc(Nc3cccc(C#N)c3)s2)cc1 | 10.1016/j.bmcl.2005.01.063 | |||
| CHEMBL180251 | 63832 | 1 | None | - | 0 | Mouse | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 335 | 5 | 1 | 6 | 4.0 | COc1ccc(C(=O)c2cnc(Nc3cccc(C#N)c3)s2)cc1 | 10.1016/j.bmcl.2005.01.063 | |||
| 11110676 | 10164 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 343 | 5 | 1 | 3 | 4.1 | CCn1c2ccccc2c2cc(CC(=O)NCc3ccncc3)ccc21 | 10.1021/jm011125x | |||
| CHEMBL115911 | 10164 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 343 | 5 | 1 | 3 | 4.1 | CCn1c2ccccc2c2cc(CC(=O)NCc3ccncc3)ccc21 | 10.1021/jm011125x | |||
| 44313057 | 103144 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 419 | 5 | 3 | 6 | 3.8 | Cc1ccc(-n2nc(-c3ccc(NS(=O)(=O)c4ccccc4N)cc3)cc2N)cc1 | 10.1016/s0960-894x(01)00448-6 | |||
| CHEMBL307902 | 103144 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 419 | 5 | 3 | 6 | 3.8 | Cc1ccc(-n2nc(-c3ccc(NS(=O)(=O)c4ccccc4N)cc3)cc2N)cc1 | 10.1016/s0960-894x(01)00448-6 | |||
| 44573614 | 187208 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 462 | 3 | 1 | 4 | 4.1 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3cccc(-c4ccncc4)c3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | |||
| CHEMBL492375 | 187208 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 462 | 3 | 1 | 4 | 4.1 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3cccc(-c4ccncc4)c3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | |||
| 44573614 | 187208 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 462 | 3 | 1 | 4 | 4.1 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3cccc(-c4ccncc4)c3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.02.035 | |||
| CHEMBL492375 | 187208 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 462 | 3 | 1 | 4 | 4.1 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3cccc(-c4ccncc4)c3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.02.035 | |||
| 44460842 | 205541 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 383 | 6 | 2 | 5 | 3.5 | CS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(-c3ccc(F)cc3)cs2)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
| CHEMBL81000 | 205541 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 383 | 6 | 2 | 5 | 3.5 | CS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(-c3ccc(F)cc3)cs2)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
| 11757324 | 103418 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 551 | 10 | 2 | 5 | 5.2 | COc1ccc2c(c1)CCC(NC[C@H]1CC[C@H](CNS(=O)(=O)c3ccccc3F)CC1)C2Cc1cccnc1 | 10.1021/jm990468g | |||
| CHEMBL3084865 | 103418 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 551 | 10 | 2 | 5 | 5.2 | COc1ccc2c(c1)CCC(NC[C@H]1CC[C@H](CNS(=O)(=O)c3ccccc3F)CC1)C2Cc1cccnc1 | 10.1021/jm990468g | |||
| 10051835 | 14009 | 0 | None | - | 0 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 467 | 4 | 1 | 5 | 4.5 | O=C(CN1CCC(N2C(=O)OCc3ccccc32)CC1)Nc1ccc2c(c1)-c1ccccc1C2=O | 10.1021/jm049599u | |||
| CHEMBL1197071 | 14009 | 0 | None | - | 0 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 467 | 4 | 1 | 5 | 4.5 | O=C(CN1CCC(N2C(=O)OCc3ccccc32)CC1)Nc1ccc2c(c1)-c1ccccc1C2=O | 10.1021/jm049599u | |||
| CHEMBL559210 | 14009 | 0 | None | - | 0 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 467 | 4 | 1 | 5 | 4.5 | O=C(CN1CCC(N2C(=O)OCc3ccccc32)CC1)Nc1ccc2c(c1)-c1ccccc1C2=O | 10.1021/jm049599u | |||
| 10860014 | 110619 | 1 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 315 | 4 | 2 | 2 | 4.3 | O=C(CCc1ccncc1)Nc1ccc2[nH]c3ccccc3c2c1 | 10.1021/jm011125x | |||
| CHEMBL325666 | 110619 | 1 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 315 | 4 | 2 | 2 | 4.3 | O=C(CCc1ccncc1)Nc1ccc2[nH]c3ccccc3c2c1 | 10.1021/jm011125x | |||
| 10519375 | 29391 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 278 | 2 | 1 | 3 | 3.6 | c1ccc(-c2cc3nc[nH]c(N4CCCCC4)c-3n2)cc1 | 10.1021/jm000269t | |||
| CHEMBL138383 | 29391 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 278 | 2 | 1 | 3 | 3.6 | c1ccc(-c2cc3nc[nH]c(N4CCCCC4)c-3n2)cc1 | 10.1021/jm000269t | |||
| 10430847 | 204714 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 396 | 3 | 1 | 4 | 5.0 | Cc1cc(C(=O)Nc2cccc3ncccc23)nn1-c1cccc(C(F)(F)F)c1 | 10.1016/s0960-894x(01)00449-8 | |||
| CHEMBL74161 | 204714 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 396 | 3 | 1 | 4 | 5.0 | Cc1cc(C(=O)Nc2cccc3ncccc23)nn1-c1cccc(C(F)(F)F)c1 | 10.1016/s0960-894x(01)00449-8 | |||
| 44313570 | 169138 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 381 | 3 | 1 | 3 | 4.7 | Cc1cc(C(=O)Nc2c(F)cccc2F)nn1-c1cccc(C(F)(F)F)c1 | 10.1016/s0960-894x(01)00449-8 | |||
| CHEMBL440310 | 169138 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 381 | 3 | 1 | 3 | 4.7 | Cc1cc(C(=O)Nc2c(F)cccc2F)nn1-c1cccc(C(F)(F)F)c1 | 10.1016/s0960-894x(01)00449-8 | |||
| 9806557 | 169507 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 515 | 7 | 3 | 4 | 4.3 | O=C(CN1CCC(NC(=O)Nc2ccccc2)CC1)NC1CCc2cc(F)ccc2C1Cc1cccnc1 | 10.1016/s0960-894x(00)00311-5 | |||
| CHEMBL44338 | 169507 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 515 | 7 | 3 | 4 | 4.3 | O=C(CN1CCC(NC(=O)Nc2ccccc2)CC1)NC1CCc2cc(F)ccc2C1Cc1cccnc1 | 10.1016/s0960-894x(00)00311-5 | |||
| 10298981 | 205357 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 471 | 5 | 1 | 6 | 3.3 | CN1CCN(CC(=O)N2CCC(CNc3nc4c(s3)CCCc3ccc(F)cc3-4)CC2)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
| CHEMBL79714 | 205357 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 471 | 5 | 1 | 6 | 3.3 | CN1CCN(CC(=O)N2CCC(CNc3nc4c(s3)CCCc3ccc(F)cc3-4)CC2)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
| 44379363 | 57550 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 551 | 11 | 3 | 6 | 4.0 | COc1ccc2c(c1)C(O)(CNCCC1CCN(CCNS(=O)(=O)c3cccc4ccccc34)CC1)CCC2 | 10.1016/s0960-894x(02)00018-5 | |||
| CHEMBL166399 | 57550 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 551 | 11 | 3 | 6 | 4.0 | COc1ccc2c(c1)C(O)(CNCCC1CCN(CCNS(=O)(=O)c3cccc4ccccc34)CC1)CCC2 | 10.1016/s0960-894x(02)00018-5 | |||
| 10935409 | 205075 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 298 | 5 | 1 | 2 | 4.7 | CC[C@@H](C)N(C)C(=O)Nc1ccc(Oc2ccccc2)cc1 | 10.1021/jm0004547 | |||
| CHEMBL77355 | 205075 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 298 | 5 | 1 | 2 | 4.7 | CC[C@@H](C)N(C)C(=O)Nc1ccc(Oc2ccccc2)cc1 | 10.1021/jm0004547 | |||
| 12078328 | 118783 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 336 | 4 | 1 | 4 | 3.8 | COc1ccc(Cc2cc3[nH]c(C)nc(N4CCCCC4)c-3n2)cc1 | 10.1021/jm000269t | |||
| CHEMBL342042 | 118783 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 336 | 4 | 1 | 4 | 3.8 | COc1ccc(Cc2cc3[nH]c(C)nc(N4CCCCC4)c-3n2)cc1 | 10.1021/jm000269t | |||
| 9807658 | 64546 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 551 | 8 | 2 | 6 | 6.1 | CN(C)c1nc(NC2CCC(CNCc3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 | 10.1016/j.bmcl.2005.05.121 | |||
| CHEMBL181466 | 64546 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 551 | 8 | 2 | 6 | 6.1 | CN(C)c1nc(NC2CCC(CNCc3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 | 10.1016/j.bmcl.2005.05.121 | |||
| 44460812 | 205609 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 484 | 7 | 1 | 7 | 4.3 | COc1ccc2c(c1)-c1nc(NCC3CCN(C(=O)CCN4CCCCC4)CC3)sc1CCO2 | 10.1016/j.bmcl.2004.03.014 | |||
| CHEMBL81611 | 205609 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 484 | 7 | 1 | 7 | 4.3 | COc1ccc2c(c1)-c1nc(NCC3CCN(C(=O)CCN4CCCCC4)CC3)sc1CCO2 | 10.1016/j.bmcl.2004.03.014 | |||
| 10111849 | 204879 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 404 | 5 | 2 | 5 | 4.2 | Cc1ccc(-n2nc(-c3ccc(NS(=O)(=O)c4ccccc4)cc3)cc2N)cc1 | 10.1016/s0960-894x(01)00448-6 | |||
| CHEMBL75823 | 204879 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 404 | 5 | 2 | 5 | 4.2 | Cc1ccc(-n2nc(-c3ccc(NS(=O)(=O)c4ccccc4)cc3)cc2N)cc1 | 10.1016/s0960-894x(01)00448-6 | |||
| 22934130 | 203962 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 290 | 2 | 1 | 2 | 4.2 | COc1ccc2c(c1)-c1nc(-c3ccccc3)[nH]c1CCC2 | 10.1016/s0960-894x(02)00090-2 | |||
| CHEMBL6938 | 203962 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 290 | 2 | 1 | 2 | 4.2 | COc1ccc2c(c1)-c1nc(-c3ccccc3)[nH]c1CCC2 | 10.1016/s0960-894x(02)00090-2 | |||
| 71518998 | 86162 | 0 | None | - | 0 | Mouse | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 330 | 6 | 1 | 4 | 3.0 | CCS(=O)(=O)c1ccc2[nH]c(OCCc3ccccc3)nc2c1 | 10.1016/j.bmcl.2012.11.005 | |||
| CHEMBL2312065 | 86162 | 0 | None | - | 0 | Mouse | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 330 | 6 | 1 | 4 | 3.0 | CCS(=O)(=O)c1ccc2[nH]c(OCCc3ccccc3)nc2c1 | 10.1016/j.bmcl.2012.11.005 | |||
| 44460798 | 104140 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 434 | 4 | 1 | 6 | 4.4 | Cc1ccc2c(c1)-c1nc(NCC3CCN(C(=O)c4ccccn4)CC3)sc1CCO2 | 10.1016/j.bmcl.2004.03.014 | |||
| CHEMBL309449 | 104140 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 434 | 4 | 1 | 6 | 4.4 | Cc1ccc2c(c1)-c1nc(NCC3CCN(C(=O)c4ccccn4)CC3)sc1CCO2 | 10.1016/j.bmcl.2004.03.014 | |||
| 44460830 | 104392 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 361 | 6 | 1 | 4 | 4.1 | CN(C)C(=O)CCCCNc1nc2c(s1)CCCc1ccc(F)cc1-2 | 10.1016/j.bmcl.2004.03.014 | |||
| CHEMBL310292 | 104392 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 361 | 6 | 1 | 4 | 4.1 | CN(C)C(=O)CCCCNc1nc2c(s1)CCCc1ccc(F)cc1-2 | 10.1016/j.bmcl.2004.03.014 | |||
| 10414854 | 13179 | 0 | None | - | 0 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 501 | 4 | 1 | 5 | 5.1 | O=C(CN1CCC(N2C(=O)OCc3cc(Cl)ccc32)CC1)Nc1ccc2c(c1)-c1ccccc1C2=O | 10.1021/jm049599u | |||
| CHEMBL1190951 | 13179 | 0 | None | - | 0 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 501 | 4 | 1 | 5 | 5.1 | O=C(CN1CCC(N2C(=O)OCc3cc(Cl)ccc32)CC1)Nc1ccc2c(c1)-c1ccccc1C2=O | 10.1021/jm049599u | |||
| CHEMBL541891 | 13179 | 0 | None | - | 0 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 501 | 4 | 1 | 5 | 5.1 | O=C(CN1CCC(N2C(=O)OCc3cc(Cl)ccc32)CC1)Nc1ccc2c(c1)-c1ccccc1C2=O | 10.1021/jm049599u | |||
| 9936263 | 101228 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 513 | 6 | 2 | 6 | 4.4 | O=C(CN1CCC(n2c(O)nc3ccccc32)CC1)NC1CCc2cc(F)ccc2C1Cc1cccnc1 | 10.1016/s0960-894x(00)00311-5 | |||
| CHEMBL296022 | 101228 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 513 | 6 | 2 | 6 | 4.4 | O=C(CN1CCC(n2c(O)nc3ccccc32)CC1)NC1CCc2cc(F)ccc2C1Cc1cccnc1 | 10.1016/s0960-894x(00)00311-5 | |||
| 10831332 | 27991 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 308 | 2 | 2 | 4 | 2.9 | Cc1nc(N2CCC(O)CC2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | |||
| CHEMBL137236 | 27991 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 308 | 2 | 2 | 4 | 2.9 | Cc1nc(N2CCC(O)CC2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | |||
| 44580593 | 187860 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 349 | 2 | 1 | 5 | 3.2 | COc1cccc2[nH]c(N3CCC4(CC3)OC(=O)c3ccccc34)nc12 | 10.1016/j.bmcl.2008.08.018 | |||
| CHEMBL496345 | 187860 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 349 | 2 | 1 | 5 | 3.2 | COc1cccc2[nH]c(N3CCC4(CC3)OC(=O)c3ccccc34)nc12 | 10.1016/j.bmcl.2008.08.018 | |||
| 10810784 | 27587 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 360 | 2 | 1 | 3 | 4.9 | Cc1nc(N2CCCCC2)c2[nH]c(-c3ccccc3C(F)(F)F)cc2n1 | 10.1021/jm000269t | |||
| CHEMBL136944 | 27587 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 360 | 2 | 1 | 3 | 4.9 | Cc1nc(N2CCCCC2)c2[nH]c(-c3ccccc3C(F)(F)F)cc2n1 | 10.1021/jm000269t | |||
| 44288067 | 166361 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 513 | 9 | 5 | 4 | 3.2 | N=C(N)NCCCC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N1CCCc2cc(O)ccc2C1 | 10.1016/s0960-894x(00)00292-4 | |||
| CHEMBL42747 | 166361 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 513 | 9 | 5 | 4 | 3.2 | N=C(N)NCCCC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N1CCCc2cc(O)ccc2C1 | 10.1016/s0960-894x(00)00292-4 | |||
| 9799669 | 205810 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 373 | 3 | 1 | 4 | 4.1 | CC(=O)N1CCC(CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
| CHEMBL83255 | 205810 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 373 | 3 | 1 | 4 | 4.1 | CC(=O)N1CCC(CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
| 46226642 | 199786 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 388 | 3 | 2 | 5 | 3.7 | O=C1O[C@]2(CC[C@H](C(=O)Nc3cc(-c4ccccc4)[nH]n3)CC2)c2ncccc21 | 10.1016/j.bmc.2009.08.019 | |||
| CHEMBL593935 | 199786 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 388 | 3 | 2 | 5 | 3.7 | O=C1O[C@]2(CC[C@H](C(=O)Nc3cc(-c4ccccc4)[nH]n3)CC2)c2ncccc21 | 10.1016/j.bmc.2009.08.019 | |||
| 11753885 | 12866 | 0 | None | - | 0 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 421 | 5 | 1 | 5 | 3.8 | CC(=O)c1ccc(NC(=O)CN2CCC(N3C(=O)OCc4cc(C)ccc43)CC2)cc1 | 10.1021/jm049599u | |||
| CHEMBL1188718 | 12866 | 0 | None | - | 0 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 421 | 5 | 1 | 5 | 3.8 | CC(=O)c1ccc(NC(=O)CN2CCC(N3C(=O)OCc4cc(C)ccc43)CC2)cc1 | 10.1021/jm049599u | |||
| CHEMBL537187 | 12866 | 0 | None | - | 0 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 421 | 5 | 1 | 5 | 3.8 | CC(=O)c1ccc(NC(=O)CN2CCC(N3C(=O)OCc4cc(C)ccc43)CC2)cc1 | 10.1021/jm049599u | |||
| 44289890 | 166208 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 486 | 7 | 2 | 4 | 3.5 | O=C(CN1CC[C@H](NC(=O)c2ccccc2)C1)NC1CCc2cc(F)ccc2C1Cc1cccnc1 | 10.1016/s0960-894x(00)00311-5 | |||
| CHEMBL42658 | 166208 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 486 | 7 | 2 | 4 | 3.5 | O=C(CN1CC[C@H](NC(=O)c2ccccc2)C1)NC1CCc2cc(F)ccc2C1Cc1cccnc1 | 10.1016/s0960-894x(00)00311-5 | |||
| 11792487 | 28708 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 318 | 4 | 2 | 4 | 4.4 | Cc1nc2cc(-c3ccccc3)nc-2c(NCc2ccc(C)o2)[nH]1 | 10.1021/jm000269t | |||
| CHEMBL137786 | 28708 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 318 | 4 | 2 | 4 | 4.4 | Cc1nc2cc(-c3ccccc3)nc-2c(NCc2ccc(C)o2)[nH]1 | 10.1021/jm000269t | |||
| 44288390 | 161834 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 491 | 11 | 5 | 3 | 3.5 | N=C(N)NCCCC(NC(=O)C(c1ccccc1)c1ccc(Cl)cc1)C(=O)NCc1ccccc1 | 10.1016/s0960-894x(00)00292-4 | |||
| CHEMBL41457 | 161834 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 491 | 11 | 5 | 3 | 3.5 | N=C(N)NCCCC(NC(=O)C(c1ccccc1)c1ccc(Cl)cc1)C(=O)NCc1ccccc1 | 10.1016/s0960-894x(00)00292-4 | |||
| 44313241 | 204948 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 436 | 5 | 2 | 4 | 6.2 | Cc1cc(C(=O)Nc2ccccc2Nc2ccccc2)nn1-c1cccc(C(F)(F)F)c1 | 10.1016/s0960-894x(01)00449-8 | |||
| CHEMBL76413 | 204948 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 436 | 5 | 2 | 4 | 6.2 | Cc1cc(C(=O)Nc2ccccc2Nc2ccccc2)nn1-c1cccc(C(F)(F)F)c1 | 10.1016/s0960-894x(01)00449-8 | |||
| 44344208 | 13507 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 522 | 8 | 2 | 5 | 3.0 | O=C(CN1CC[C@@H](NS(=O)(=O)c2ccccc2)C1)NC1CCc2cc(F)ccc2C1Cc1cccnc1 | 10.1021/jm990468g | |||
| CHEMBL119355 | 13507 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 522 | 8 | 2 | 5 | 3.0 | O=C(CN1CC[C@@H](NS(=O)(=O)c2ccccc2)C1)NC1CCc2cc(F)ccc2C1Cc1cccnc1 | 10.1021/jm990468g | |||
| 44344455 | 103437 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 521 | 9 | 2 | 4 | 5.2 | O=S(=O)(NC[C@H]1CC[C@H](CNC2CCc3cc(F)ccc3C2Cc2cccnc2)CC1)c1ccccc1 | 10.1021/jm990468g | |||
| CHEMBL3084886 | 103437 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 521 | 9 | 2 | 4 | 5.2 | O=S(=O)(NC[C@H]1CC[C@H](CNC2CCc3cc(F)ccc3C2Cc2cccnc2)CC1)c1ccccc1 | 10.1021/jm990468g | |||
| 11143423 | 11643 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 381 | 4 | 1 | 4 | 4.6 | CCOc1c(NC(=O)N2CCOCC2)ccc2c1c1ccccc1n2C(C)C | 10.1021/jm011125x | |||
| CHEMBL118098 | 11643 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 381 | 4 | 1 | 4 | 4.6 | CCOc1c(NC(=O)N2CCOCC2)ccc2c1c1ccccc1n2C(C)C | 10.1021/jm011125x | |||
| 44573532 | 187462 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 392 | 4 | 1 | 4 | 4.0 | COC(=O)c1cccc(C2=NC(c3ccc(F)cc3)(c3ccc(F)cc3)CN2)c1 | 10.1016/j.bmcl.2009.01.101 | |||
| CHEMBL493997 | 187462 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 392 | 4 | 1 | 4 | 4.0 | COC(=O)c1cccc(C2=NC(c3ccc(F)cc3)(c3ccc(F)cc3)CN2)c1 | 10.1016/j.bmcl.2009.01.101 | |||
| 1305 | 511 | 14 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 425 | 5 | 2 | 5 | 4.1 | O=C(c1ccc(c(c1)F)F)N[C@@H]1CC[C@@H](CC1)Nc1nc2ccccc2c(n1)N(C)C | 10.1016/j.bmcl.2005.05.121 | |||
| 9934033 | 511 | 14 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 425 | 5 | 2 | 5 | 4.1 | O=C(c1ccc(c(c1)F)F)N[C@@H]1CC[C@@H](CC1)Nc1nc2ccccc2c(n1)N(C)C | 10.1016/j.bmcl.2005.05.121 | |||
| CHEMBL182150 | 511 | 14 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 425 | 5 | 2 | 5 | 4.1 | O=C(c1ccc(c(c1)F)F)N[C@@H]1CC[C@@H](CC1)Nc1nc2ccccc2c(n1)N(C)C | 10.1016/j.bmcl.2005.05.121 | |||
| 44370177 | 169202 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 505 | 6 | 3 | 5 | 4.1 | O=C(NNC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccc(Cl)cc2)CC1)c1cc2ccccc2s1 | 10.1016/j.bmcl.2003.11.070 | |||
| CHEMBL440735 | 169202 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 505 | 6 | 3 | 5 | 4.1 | O=C(NNC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccc(Cl)cc2)CC1)c1cc2ccccc2s1 | 10.1016/j.bmcl.2003.11.070 | |||
| 10498512 | 28672 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 320 | 4 | 1 | 3 | 4.6 | CCCc1nc(N2CCCCC2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | |||
| CHEMBL137758 | 28672 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 320 | 4 | 1 | 3 | 4.6 | CCCc1nc(N2CCCCC2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | |||
| 22325323 | 193410 | 1 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 337 | 1 | 1 | 4 | 3.4 | O=C1OC2(CCN(c3nc4cc(F)ccc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.018 | |||
| CHEMBL525918 | 193410 | 1 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 337 | 1 | 1 | 4 | 3.4 | O=C1OC2(CCN(c3nc4cc(F)ccc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.018 | |||
| 10159053 | 205368 | 1 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 419 | 6 | 1 | 6 | 3.6 | CCOCC(=O)N1CCC(CNc2nc3c(s2)CCOc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
| CHEMBL79849 | 205368 | 1 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 419 | 6 | 1 | 6 | 3.6 | CCOCC(=O)N1CCC(CNc2nc3c(s2)CCOc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
| 44379102 | 158785 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 529 | 7 | 2 | 7 | 3.8 | COc1ccc2c(c1)C(O)(CNCC1CCN(C(=O)Cn3c(=O)sc4ccc(Cl)cc43)CC1)CCC2 | 10.1016/s0960-894x(02)00018-5 | |||
| CHEMBL409418 | 158785 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 529 | 7 | 2 | 7 | 3.8 | COc1ccc2c(c1)C(O)(CNCC1CCN(C(=O)Cn3c(=O)sc4ccc(Cl)cc43)CC1)CCC2 | 10.1016/s0960-894x(02)00018-5 | |||
| 9892202 | 172582 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 500 | 7 | 2 | 4 | 3.9 | O=C(CN1CCC(NC(=O)c2ccccc2)CC1)NC1CCc2cc(F)ccc2C1Cc1cccnc1 | 10.1016/s0960-894x(00)00311-5 | |||
| CHEMBL44886 | 172582 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 500 | 7 | 2 | 4 | 3.9 | O=C(CN1CCC(NC(=O)c2ccccc2)CC1)NC1CCc2cc(F)ccc2C1Cc1cccnc1 | 10.1016/s0960-894x(00)00311-5 | |||
| 44370266 | 46262 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 549 | 6 | 3 | 5 | 4.2 | O=C(NNC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccc(Br)cc2)CC1)c1cc2ccccc2s1 | 10.1016/j.bmcl.2003.11.070 | |||
| CHEMBL153522 | 46262 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 549 | 6 | 3 | 5 | 4.2 | O=C(NNC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccc(Br)cc2)CC1)c1cc2ccccc2s1 | 10.1016/j.bmcl.2003.11.070 | |||
| 10666064 | 29274 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 321 | 3 | 1 | 4 | 3.7 | CN(C)c1nc(N2CCCCC2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | |||
| CHEMBL138278 | 29274 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 321 | 3 | 1 | 4 | 3.7 | CN(C)c1nc(N2CCCCC2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | |||
| 11811424 | 204975 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 398 | 6 | 2 | 3 | 4.4 | C[C@H]([C@@H](O)c1ccccc1)N(C)/C(=N/c1ccc(Cc2ccccc2)cc1)NC#N | 10.1021/jm0004547 | |||
| CHEMBL76549 | 204975 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 398 | 6 | 2 | 3 | 4.4 | C[C@H]([C@@H](O)c1ccccc1)N(C)/C(=N/c1ccc(Cc2ccccc2)cc1)NC#N | 10.1021/jm0004547 | |||
| 10617383 | 27221 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 307 | 3 | 2 | 4 | 3.7 | CNc1nc(N2CCCCC2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | |||
| CHEMBL136650 | 27221 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 307 | 3 | 2 | 4 | 3.7 | CNc1nc(N2CCCCC2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | |||
| 44312955 | 204497 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 422 | 5 | 2 | 5 | 4.4 | Cc1ccc(-n2nc(-c3ccc(NS(=O)(=O)c4ccc(F)cc4)cc3)cc2N)cc1 | 10.1016/s0960-894x(01)00448-6 | |||
| CHEMBL72547 | 204497 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 422 | 5 | 2 | 5 | 4.4 | Cc1ccc(-n2nc(-c3ccc(NS(=O)(=O)c4ccc(F)cc4)cc3)cc2N)cc1 | 10.1016/s0960-894x(01)00448-6 | |||
| 44460883 | 105626 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 470 | 6 | 2 | 5 | 5.0 | O=C(CN1CCCCC1)N[C@H]1CC[C@H](CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
| CHEMBL312361 | 105626 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 470 | 6 | 2 | 5 | 5.0 | O=C(CN1CCCCC1)N[C@H]1CC[C@H](CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
| 44460964 | 163639 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 458 | 8 | 2 | 5 | 4.9 | CN(C)CCCC(=O)N[C@H]1CC[C@H](CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
| CHEMBL420399 | 163639 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 458 | 8 | 2 | 5 | 4.9 | CN(C)CCCC(=O)N[C@H]1CC[C@H](CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
| 10903122 | 204927 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 314 | 5 | 2 | 3 | 3.3 | COc1ccc(NC(=O)N(C)[C@H](C)[C@@H](O)c2ccccc2)cc1 | 10.1021/jm0004547 | |||
| CHEMBL76265 | 204927 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 314 | 5 | 2 | 3 | 3.3 | COc1ccc(NC(=O)N(C)[C@H](C)[C@@H](O)c2ccccc2)cc1 | 10.1021/jm0004547 | |||
| 44313494 | 104748 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 435 | 5 | 1 | 3 | 6.0 | Cc1cc(C(=O)Nc2ccccc2Cc2ccccc2)nn1-c1cccc(C(F)(F)F)c1 | 10.1016/s0960-894x(01)00449-8 | |||
| CHEMBL310694 | 104748 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 435 | 5 | 1 | 3 | 6.0 | Cc1cc(C(=O)Nc2ccccc2Cc2ccccc2)nn1-c1cccc(C(F)(F)F)c1 | 10.1016/s0960-894x(01)00449-8 | |||
| 10807285 | 27755 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 306 | 2 | 1 | 3 | 4.3 | Cc1nc2cc(-c3ccccc3)nc-2c(N2CCCCC2C)[nH]1 | 10.1021/jm000269t | |||
| CHEMBL137058 | 27755 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 306 | 2 | 1 | 3 | 4.3 | Cc1nc2cc(-c3ccccc3)nc-2c(N2CCCCC2C)[nH]1 | 10.1021/jm000269t | |||
| 68595241 | 125443 | 0 | None | - | 0 | Mouse | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 370 | 4 | 2 | 4 | 4.2 | O=C(N[C@H]1CC[C@@H](c2nc(-c3cccc(Cl)c3)c[nH]2)CC1)c1ccon1 | nan | |||
| CHEMBL3646137 | 125443 | 0 | None | - | 0 | Mouse | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 370 | 4 | 2 | 4 | 4.2 | O=C(N[C@H]1CC[C@@H](c2nc(-c3cccc(Cl)c3)c[nH]2)CC1)c1ccon1 | nan | |||
| 44573743 | 187689 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 463 | 3 | 1 | 5 | 3.5 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(-c4ccccc4)nn3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | |||
| CHEMBL495200 | 187689 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 463 | 3 | 1 | 5 | 3.5 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(-c4ccccc4)nn3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | |||
| 44573704 | 193292 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 462 | 3 | 1 | 4 | 4.1 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(-c4ccccn4)cc3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | |||
| CHEMBL524044 | 193292 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 462 | 3 | 1 | 4 | 4.1 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(-c4ccccn4)cc3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | |||
| 18004938 | 198459 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 483 | 4 | 1 | 5 | 3.7 | CCS(=O)(=O)N1CC2(CCN(C(=O)Nc3cn(-c4cccc(F)c4)cn3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | |||
| CHEMBL577398 | 198459 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 483 | 4 | 1 | 5 | 3.7 | CCS(=O)(=O)N1CC2(CCN(C(=O)Nc3cn(-c4cccc(F)c4)cn3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | |||
| 11824465 | 10332 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 357 | 4 | 1 | 4 | 4.4 | CC(=O)n1c2ccccc2c2cc(NC(=O)CCc3ccncc3)ccc21 | 10.1021/jm011125x | |||
| CHEMBL116210 | 10332 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 357 | 4 | 1 | 4 | 4.4 | CC(=O)n1c2ccccc2c2cc(NC(=O)CCc3ccncc3)ccc21 | 10.1021/jm011125x | |||
| 9884833 | 110552 | 41 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 351 | 2 | 1 | 3 | 4.5 | Cc1c(NC(=O)N2CCOCC2)ccc2c1c1ccccc1n2C(C)C | 10.1021/jm011125x | |||
| CHEMBL325226 | 110552 | 41 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 351 | 2 | 1 | 3 | 4.5 | Cc1c(NC(=O)N2CCOCC2)ccc2c1c1ccccc1n2C(C)C | 10.1021/jm011125x | |||
| 11002751 | 168090 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 355 | 2 | 1 | 3 | 4.4 | CC(C)n1c2ccc(F)cc2c2cc(NC(=O)N3CCOCC3)ccc21 | 10.1021/jm011125x | |||
| CHEMBL432628 | 168090 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 355 | 2 | 1 | 3 | 4.4 | CC(C)n1c2ccc(F)cc2c2cc(NC(=O)N3CCOCC3)ccc21 | 10.1021/jm011125x | |||
| 45487608 | 196846 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 418 | 3 | 1 | 6 | 3.9 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ncc(-c4ccccc4F)cn3)CC2)c2cccnc21 | 10.1016/j.bmcl.2009.07.103 | |||
| CHEMBL565848 | 196846 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 418 | 3 | 1 | 6 | 3.9 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ncc(-c4ccccc4F)cn3)CC2)c2cccnc21 | 10.1016/j.bmcl.2009.07.103 | |||
| 18004920 | 187314 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 478 | 4 | 2 | 4 | 4.1 | NS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(Oc4ccccc4)cc3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.02.035 | |||
| CHEMBL492999 | 187314 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 478 | 4 | 2 | 4 | 4.1 | NS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(Oc4ccccc4)cc3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.02.035 | |||
| 44573743 | 187689 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 463 | 3 | 1 | 5 | 3.5 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(-c4ccccc4)nn3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.02.035 | |||
| CHEMBL495200 | 187689 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 463 | 3 | 1 | 5 | 3.5 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(-c4ccccc4)nn3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.02.035 | |||
| 44573704 | 193292 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 462 | 3 | 1 | 4 | 4.1 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(-c4ccccn4)cc3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.02.035 | |||
| CHEMBL524044 | 193292 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 462 | 3 | 1 | 4 | 4.1 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(-c4ccccn4)cc3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.02.035 | |||
| 44271565 | 98131 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 461 | 6 | 3 | 6 | 4.3 | Nc1nc(N[C@H]2CC[C@H](CNS(=O)(=O)c3cccc4ccccc34)CC2)nc2ccccc12 | 10.1016/j.bmcl.2004.03.014 | |||
| CHEMBL273597 | 98131 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 461 | 6 | 3 | 6 | 4.3 | Nc1nc(N[C@H]2CC[C@H](CNS(=O)(=O)c3cccc4ccccc34)CC2)nc2ccccc12 | 10.1016/j.bmcl.2004.03.014 | |||
| 44461196 | 104743 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 456 | 7 | 1 | 5 | 4.4 | CN(CC(=O)N1CCC(CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1)CC1CC1 | 10.1016/j.bmcl.2004.03.014 | |||
| CHEMBL310670 | 104743 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 456 | 7 | 1 | 5 | 4.4 | CN(CC(=O)N1CCC(CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1)CC1CC1 | 10.1016/j.bmcl.2004.03.014 | |||
| 44461199 | 205553 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 486 | 7 | 1 | 6 | 4.2 | COC[C@@H]1CCCN1CC(=O)N1CCC(CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
| CHEMBL81103 | 205553 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 486 | 7 | 1 | 6 | 4.2 | COC[C@@H]1CCCN1CC(=O)N1CCC(CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
| 44461018 | 205880 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 470 | 6 | 2 | 6 | 4.0 | CN(C)S(=O)(=O)NC[C@H]1CC[C@H](Nc2nc3c(s2)CCSc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
| CHEMBL83830 | 205880 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 470 | 6 | 2 | 6 | 4.0 | CN(C)S(=O)(=O)NC[C@H]1CC[C@H](Nc2nc3c(s2)CCSc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
| 1504 | 2807 | 8 | None | -9 | 10 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm990468g | |||||
| 1518 | 2807 | 8 | None | -9 | 10 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm990468g | |||||
| 1521 | 2807 | 8 | None | -9 | 10 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm990468g | |||||
| 24868177 | 2807 | 8 | None | -9 | 10 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm990468g | |||||
| 44288922 | 2807 | 8 | None | -9 | 10 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm990468g | |||||
| 77068007 | 2807 | 8 | None | -9 | 10 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm990468g | |||||
| 90479759 | 2807 | 8 | None | -9 | 10 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm990468g | |||||
| CHEMBL438945 | 2807 | 8 | None | -9 | 10 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm990468g | |||||
| 71458606 | 81353 | 0 | None | - | 0 | Mouse | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 401 | 5 | 1 | 6 | 2.9 | CCS(=O)(=O)c1ccc2[nH]c(N3CCOC(c4ccc(OC)cc4)C3)nc2c1 | 10.1016/j.bmcl.2012.09.025 | |||
| CHEMBL2159172 | 81353 | 0 | None | - | 0 | Mouse | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 401 | 5 | 1 | 6 | 2.9 | CCS(=O)(=O)c1ccc2[nH]c(N3CCOC(c4ccc(OC)cc4)C3)nc2c1 | 10.1016/j.bmcl.2012.09.025 | |||
| 91755093 | 128495 | 0 | None | - | 0 | Mouse | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 370 | 6 | 2 | 6 | 2.4 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(C(F)(F)F)no2)CC1 | nan | |||
| CHEMBL3666796 | 128495 | 0 | None | - | 0 | Mouse | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 370 | 6 | 2 | 6 | 2.4 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(C(F)(F)F)no2)CC1 | nan | |||
| 45487630 | 196806 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 448 | 5 | 1 | 7 | 4.0 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ncc(-c4cccc(OCF)c4)cn3)CC2)c2cccnc21 | 10.1016/j.bmcl.2009.07.103 | |||
| CHEMBL565625 | 196806 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 448 | 5 | 1 | 7 | 4.0 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ncc(-c4cccc(OCF)c4)cn3)CC2)c2cccnc21 | 10.1016/j.bmcl.2009.07.103 | |||
| 44579827 | 192705 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 395 | 2 | 1 | 4 | 5.3 | O=C1O[C@]2(CC[C@H](c3nc4cc(-c5cccnc5)ccc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.021 | |||
| CHEMBL521959 | 192705 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 395 | 2 | 1 | 4 | 5.3 | O=C1O[C@]2(CC[C@H](c3nc4cc(-c5cccnc5)ccc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.021 | |||
| 11013840 | 205068 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 360 | 6 | 1 | 2 | 5.6 | C[C@H](Cc1ccccc1)N(C)C(=O)Nc1ccc(Oc2ccccc2)cc1 | 10.1021/jm0004547 | |||
| CHEMBL77273 | 205068 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 360 | 6 | 1 | 2 | 5.6 | C[C@H](Cc1ccccc1)N(C)C(=O)Nc1ccc(Oc2ccccc2)cc1 | 10.1021/jm0004547 | |||
| 45481642 | 197851 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 451 | 3 | 1 | 5 | 3.2 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(-n4cccn4)cc3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | |||
| CHEMBL572456 | 197851 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 451 | 3 | 1 | 5 | 3.2 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(-n4cccn4)cc3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | |||
| 45481801 | 198339 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 495 | 5 | 1 | 6 | 3.6 | CCS(=O)(=O)N1CC2(CCN(C(=O)Nc3cn(-c4ccc(OC)cc4)cn3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | |||
| CHEMBL576333 | 198339 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 495 | 5 | 1 | 6 | 3.6 | CCS(=O)(=O)N1CC2(CCN(C(=O)Nc3cn(-c4ccc(OC)cc4)cn3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | |||
| 68597664 | 125440 | 0 | None | - | 0 | Mouse | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 412 | 5 | 2 | 7 | 3.1 | CC(C)n1c(=O)oc2cc(NC(=O)[C@H]3CC[C@@H](NC(=O)c4ccon4)CC3)ccc21 | nan | |||
| CHEMBL3646134 | 125440 | 0 | None | - | 0 | Mouse | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 412 | 5 | 2 | 7 | 3.1 | CC(C)n1c(=O)oc2cc(NC(=O)[C@H]3CC[C@@H](NC(=O)c4ccon4)CC3)ccc21 | nan | |||
| 18004996 | 198022 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 483 | 4 | 1 | 5 | 3.7 | CCS(=O)(=O)N1CC2(CCN(C(=O)Nc3cn(-c4ccccc4F)cn3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | |||
| CHEMBL573858 | 198022 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 483 | 4 | 1 | 5 | 3.7 | CCS(=O)(=O)N1CC2(CCN(C(=O)Nc3cn(-c4ccccc4F)cn3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | |||
| 25067562 | 186971 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 400 | 2 | 1 | 6 | 4.6 | Cc1nnc(-c2ccc3[nH]c([C@H]4CC[C@@]5(CC4)OC(=O)c4ccccc45)nc3c2)o1 | 10.1016/j.bmcl.2008.08.021 | |||
| CHEMBL490427 | 186971 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 400 | 2 | 1 | 6 | 4.6 | Cc1nnc(-c2ccc3[nH]c([C@H]4CC[C@@]5(CC4)OC(=O)c4ccccc45)nc3c2)o1 | 10.1016/j.bmcl.2008.08.021 | |||
| 44271208 | 163253 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 488 | 6 | 2 | 7 | 2.5 | Cc1cccc(C(O)CNC(=O)C2CCN(C(=O)Cn3c(=O)sc4ccc(Cl)cc43)CC2)n1 | 10.1016/s0960-894x(02)00113-0 | |||
| CHEMBL418546 | 163253 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 488 | 6 | 2 | 7 | 2.5 | Cc1cccc(C(O)CNC(=O)C2CCN(C(=O)Cn3c(=O)sc4ccc(Cl)cc43)CC2)n1 | 10.1016/s0960-894x(02)00113-0 | |||
| 18004890 | 197885 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 465 | 4 | 1 | 5 | 3.6 | CCS(=O)(=O)N1CC2(CCN(C(=O)Nc3cn(-c4ccccc4)cn3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | |||
| CHEMBL572688 | 197885 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 465 | 4 | 1 | 5 | 3.6 | CCS(=O)(=O)N1CC2(CCN(C(=O)Nc3cn(-c4ccccc4)cn3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | |||
| 45481805 | 198381 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 469 | 3 | 1 | 6 | 3.6 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3nnc(-c4ccccc4)s3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | |||
| CHEMBL576726 | 198381 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 469 | 3 | 1 | 6 | 3.6 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3nnc(-c4ccccc4)s3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | |||
| 44583588 | 192941 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 406 | 2 | 1 | 6 | 3.9 | O=C1OC2(CCN(C(=O)Nc3nnc(-c4ccccc4)s3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | |||
| CHEMBL522237 | 192941 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 406 | 2 | 1 | 6 | 3.9 | O=C1OC2(CCN(C(=O)Nc3nnc(-c4ccccc4)s3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | |||
| 10110741 | 188000 | 3 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 387 | 1 | 1 | 4 | 4.2 | O=C1OC2(CCN(c3nc4cc(C(F)(F)F)ccc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.018 | |||
| CHEMBL497359 | 188000 | 3 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 387 | 1 | 1 | 4 | 4.2 | O=C1OC2(CCN(c3nc4cc(C(F)(F)F)ccc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.018 | |||
| 44583558 | 193059 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 388 | 2 | 1 | 5 | 3.6 | O=C1OC2(CCN(C(=O)Nc3cn(-c4ccccc4)cn3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | |||
| CHEMBL522378 | 193059 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 388 | 2 | 1 | 5 | 3.6 | O=C1OC2(CCN(C(=O)Nc3cn(-c4ccccc4)cn3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | |||
| 91755095 | 128500 | 0 | None | - | 0 | Mouse | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 369 | 6 | 2 | 5 | 3.0 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(C(F)(F)F)co2)CC1 | nan | |||
| CHEMBL3666800 | 128500 | 0 | None | - | 0 | Mouse | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 369 | 6 | 2 | 5 | 3.0 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(C(F)(F)F)co2)CC1 | nan | |||
| 9822252 | 184115 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 399 | 2 | 2 | 4 | 3.4 | O=C1NC2(CCN(C(=O)Nc3cnc(-c4ccccc4)cn3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | |||
| CHEMBL482667 | 184115 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 399 | 2 | 2 | 4 | 3.4 | O=C1NC2(CCN(C(=O)Nc3cnc(-c4ccccc4)cn3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | |||
| 44379085 | 57180 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 535 | 8 | 2 | 5 | 3.9 | COc1ccc2c(c1)CC(NCC1CCN(C(=O)CNS(=O)(=O)c3cccc4ccccc34)CC1)CCC2 | 10.1016/s0960-894x(02)00018-5 | |||
| CHEMBL164873 | 57180 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 535 | 8 | 2 | 5 | 3.9 | COc1ccc2c(c1)CC(NCC1CCN(C(=O)CNS(=O)(=O)c3cccc4ccccc34)CC1)CCC2 | 10.1016/s0960-894x(02)00018-5 | |||
| 71519168 | 86174 | 0 | None | - | 0 | Mouse | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 384 | 5 | 1 | 4 | 4.5 | CCS(=O)(=O)c1ccc2[nH]c(O[C@H]3CC[C@H](c4ccccc4)CC3)nc2c1 | 10.1016/j.bmcl.2012.11.005 | |||
| CHEMBL2312077 | 86174 | 0 | None | - | 0 | Mouse | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 384 | 5 | 1 | 4 | 4.5 | CCS(=O)(=O)c1ccc2[nH]c(O[C@H]3CC[C@H](c4ccccc4)CC3)nc2c1 | 10.1016/j.bmcl.2012.11.005 | |||
| 46912713 | 125434 | 0 | None | - | 0 | Mouse | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 441 | 5 | 2 | 5 | 4.0 | O=C(N[C@H]1CC[C@@H](C(=O)Nc2ccn(-c3ccccc3F)n2)CC1)c1cccc(Cl)n1 | nan | |||
| CHEMBL3646128 | 125434 | 0 | None | - | 0 | Mouse | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 441 | 5 | 2 | 5 | 4.0 | O=C(N[C@H]1CC[C@@H](C(=O)Nc2ccn(-c3ccccc3F)n2)CC1)c1cccc(Cl)n1 | nan | |||
| 44271318 | 98440 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 504 | 4 | 1 | 7 | 4.4 | O=C(Nc1nc2cc(Cl)ccc2o1)C1CCN(C(=O)Cn2c(=O)sc3ccc(Cl)cc32)CC1 | 10.1016/s0960-894x(02)00113-0 | |||
| CHEMBL275642 | 98440 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 504 | 4 | 1 | 7 | 4.4 | O=C(Nc1nc2cc(Cl)ccc2o1)C1CCN(C(=O)Cn2c(=O)sc3ccc(Cl)cc32)CC1 | 10.1016/s0960-894x(02)00113-0 | |||
| 45481803 | 197849 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 469 | 3 | 1 | 5 | 3.4 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3cn(-c4ccccc4F)cn3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | |||
| CHEMBL572450 | 197849 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 469 | 3 | 1 | 5 | 3.4 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3cn(-c4ccccc4F)cn3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | |||
| 44583395 | 187843 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 434 | 2 | 1 | 5 | 4.5 | O=C1OC2(CCN(C(=O)Nc3ncc(-c4ccc(Cl)cc4)cn3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | |||
| CHEMBL496197 | 187843 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 434 | 2 | 1 | 5 | 4.5 | O=C1OC2(CCN(C(=O)Nc3ncc(-c4ccc(Cl)cc4)cn3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | |||
| 11509561 | 199727 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 400 | 3 | 1 | 6 | 3.7 | O=C1O[C@]2(CC[C@H](C(=O)Nc3cnc(-c4ccccc4)cn3)CC2)c2ncccc21 | 10.1016/j.bmc.2009.08.019 | |||
| CHEMBL593466 | 199727 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 400 | 3 | 1 | 6 | 3.7 | O=C1O[C@]2(CC[C@H](C(=O)Nc3cnc(-c4ccccc4)cn3)CC2)c2ncccc21 | 10.1016/j.bmc.2009.08.019 | |||
| 10613667 | 23055 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 293 | 2 | 0 | 4 | 4.2 | Cc1nc(N2CCCCC2)c2oc(-c3ccccc3)cc2n1 | 10.1021/jm000269t | |||
| CHEMBL133032 | 23055 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 293 | 2 | 0 | 4 | 4.2 | Cc1nc(N2CCCCC2)c2oc(-c3ccccc3)cc2n1 | 10.1021/jm000269t | |||
| 10161870 | 204654 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 463 | 7 | 2 | 7 | 4.0 | COc1ccc(S(=O)(=O)Nc2ccc(-c3cc(N)n(-c4cccc(N(C)C)c4)n3)cc2)cc1 | 10.1016/s0960-894x(01)00448-6 | |||
| CHEMBL73643 | 204654 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 463 | 7 | 2 | 7 | 4.0 | COc1ccc(S(=O)(=O)Nc2ccc(-c3cc(N)n(-c4cccc(N(C)C)c4)n3)cc2)cc1 | 10.1016/s0960-894x(01)00448-6 | |||
| 10154767 | 188272 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 348 | 3 | 1 | 2 | 4.6 | Cc1cccc(C2=NC(c3ccc(F)cc3)(c3ccc(F)cc3)CN2)c1 | 10.1016/j.bmcl.2009.01.101 | |||
| CHEMBL499973 | 188272 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 348 | 3 | 1 | 2 | 4.6 | Cc1cccc(C2=NC(c3ccc(F)cc3)(c3ccc(F)cc3)CN2)c1 | 10.1016/j.bmcl.2009.01.101 | |||
| 10414311 | 12812 | 0 | None | - | 0 | Rat | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 483 | 4 | 2 | 5 | 4.6 | Cc1cccc2c1N(C1CCN(CC(=O)Nc3ccc4c(c3)-c3ccccc3C4O)CC1)C(=O)OC2 | 10.1021/jm049599u | |||
| CHEMBL1188255 | 12812 | 0 | None | - | 0 | Rat | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 483 | 4 | 2 | 5 | 4.6 | Cc1cccc2c1N(C1CCN(CC(=O)Nc3ccc4c(c3)-c3ccccc3C4O)CC1)C(=O)OC2 | 10.1021/jm049599u | |||
| CHEMBL535824 | 12812 | 0 | None | - | 0 | Rat | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 483 | 4 | 2 | 5 | 4.6 | Cc1cccc2c1N(C1CCN(CC(=O)Nc3ccc4c(c3)-c3ccccc3C4O)CC1)C(=O)OC2 | 10.1021/jm049599u | |||
| 44289909 | 163562 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 482 | 6 | 2 | 5 | 3.6 | CC(C)(C)OC(=O)N[C@@H]1CCN(CC(=O)NC2CCc3cc(F)ccc3C2Cc2cccnc2)C1 | 10.1016/s0960-894x(00)00311-5 | |||
| CHEMBL42031 | 163562 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 482 | 6 | 2 | 5 | 3.6 | CC(C)(C)OC(=O)N[C@@H]1CCN(CC(=O)NC2CCc3cc(F)ccc3C2Cc2cccnc2)C1 | 10.1016/s0960-894x(00)00311-5 | |||
| 44344633 | 111387 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 330 | 6 | 1 | 3 | 3.9 | O=C(CCc1ccncc1)Nc1ccc(C(=O)c2ccccc2)cc1 | 10.1021/jm011125x | |||
| CHEMBL327151 | 111387 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 330 | 6 | 1 | 3 | 3.9 | O=C(CCc1ccncc1)Nc1ccc(C(=O)c2ccccc2)cc1 | 10.1021/jm011125x | |||
| 44573565 | 187492 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 349 | 3 | 2 | 3 | 3.8 | Nc1cccc(C2=NC(c3ccc(F)cc3)(c3ccc(F)cc3)CN2)c1 | 10.1016/j.bmcl.2009.01.101 | |||
| CHEMBL494174 | 187492 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 349 | 3 | 2 | 3 | 3.8 | Nc1cccc(C2=NC(c3ccc(F)cc3)(c3ccc(F)cc3)CN2)c1 | 10.1016/j.bmcl.2009.01.101 | |||
| 10433145 | 13976 | 1 | None | - | 0 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 399 | 4 | 1 | 4 | 3.9 | O=C(CN1CCC(N2C(=O)OCc3ccccc32)CC1)Nc1ccc(Cl)cc1 | 10.1021/jm049599u | |||
| CHEMBL1196846 | 13976 | 1 | None | - | 0 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 399 | 4 | 1 | 4 | 3.9 | O=C(CN1CCC(N2C(=O)OCc3ccccc32)CC1)Nc1ccc(Cl)cc1 | 10.1021/jm049599u | |||
| CHEMBL558393 | 13976 | 1 | None | - | 0 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 399 | 4 | 1 | 4 | 3.9 | O=C(CN1CCC(N2C(=O)OCc3ccccc32)CC1)Nc1ccc(Cl)cc1 | 10.1021/jm049599u | |||
| 44401671 | 70266 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 587 | 7 | 1 | 7 | 4.9 | CN(C)c1nc(NCC2CCN(S(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 | 10.1016/j.bmcl.2005.03.052 | |||
| CHEMBL194173 | 70266 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 587 | 7 | 1 | 7 | 4.9 | CN(C)c1nc(NCC2CCN(S(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 | 10.1016/j.bmcl.2005.03.052 | |||
| 44313039 | 103154 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 419 | 5 | 3 | 6 | 3.8 | Cc1ccc(-n2nc(-c3ccc(NS(=O)(=O)c4cccc(N)c4)cc3)cc2N)cc1 | 10.1016/s0960-894x(01)00448-6 | |||
| CHEMBL308034 | 103154 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 419 | 5 | 3 | 6 | 3.8 | Cc1ccc(-n2nc(-c3ccc(NS(=O)(=O)c4cccc(N)c4)cc3)cc2N)cc1 | 10.1016/s0960-894x(01)00448-6 | |||
| 44289818 | 169145 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 515 | 7 | 2 | 4 | 5.6 | O=C(NC[C@H]1CC[C@H](C(=O)NC2CCc3cc(F)ccc3C2Cc2cccnc2)CC1)Oc1ccccc1 | 10.1016/s0960-894x(00)00311-5 | |||
| CHEMBL44036 | 169145 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 515 | 7 | 2 | 4 | 5.6 | O=C(NC[C@H]1CC[C@H](C(=O)NC2CCc3cc(F)ccc3C2Cc2cccnc2)CC1)Oc1ccccc1 | 10.1016/s0960-894x(00)00311-5 | |||
| 11204090 | 69836 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 587 | 7 | 2 | 7 | 5.1 | CN(C)c1nc(NC2CCC(NS(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 | 10.1016/j.bmcl.2005.03.052 | |||
| CHEMBL193771 | 69836 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 587 | 7 | 2 | 7 | 5.1 | CN(C)c1nc(NC2CCC(NS(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 | 10.1016/j.bmcl.2005.03.052 | |||
| 70693068 | 76904 | 0 | None | - | 0 | Mouse | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 396 | 4 | 1 | 3 | 5.3 | CCS(=O)(=O)c1ccc2[nH]c(-c3cc(-c4ccccc4)ccc3Cl)nc2c1 | 10.1016/j.bmcl.2012.07.020 | |||
| CHEMBL2070150 | 76904 | 0 | None | - | 0 | Mouse | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 396 | 4 | 1 | 3 | 5.3 | CCS(=O)(=O)c1ccc2[nH]c(-c3cc(-c4ccccc4)ccc3Cl)nc2c1 | 10.1016/j.bmcl.2012.07.020 | |||
| 44377915 | 57173 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 497 | 8 | 2 | 4 | 4.2 | O=S(=O)(NCCN1CC(CNC2CCCc3ccc(Cl)cc3C2)C1)c1cccc2ccccc12 | 10.1016/s0960-894x(02)00002-1 | |||
| CHEMBL164805 | 57173 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 497 | 8 | 2 | 4 | 4.2 | O=S(=O)(NCCN1CC(CNC2CCCc3ccc(Cl)cc3C2)C1)c1cccc2ccccc12 | 10.1016/s0960-894x(02)00002-1 | |||
| 10848957 | 28488 | 14 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 224 | 1 | 2 | 3 | 2.5 | Cc1nc(N)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | |||
| CHEMBL137572 | 28488 | 14 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 224 | 1 | 2 | 3 | 2.5 | Cc1nc(N)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | |||
| 10872140 | 54013 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 361 | 4 | 2 | 2 | 5.1 | O=C(Cc1cccc2ccccc12)Nc1cc(-c2ccc(Cl)cc2)n[nH]1 | 10.1021/jm025513q | |||
| CHEMBL160595 | 54013 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 361 | 4 | 2 | 2 | 5.1 | O=C(Cc1cccc2ccccc12)Nc1cc(-c2ccc(Cl)cc2)n[nH]1 | 10.1021/jm025513q | |||
| 71519000 | 86164 | 0 | None | - | 0 | Mouse | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 370 | 4 | 1 | 4 | 4.2 | CCS(=O)(=O)c1ccc2[nH]c(Oc3ccccc3C(F)(F)F)nc2c1 | 10.1016/j.bmcl.2012.11.005 | |||
| CHEMBL2312067 | 86164 | 0 | None | - | 0 | Mouse | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 370 | 4 | 1 | 4 | 4.2 | CCS(=O)(=O)c1ccc2[nH]c(Oc3ccccc3C(F)(F)F)nc2c1 | 10.1016/j.bmcl.2012.11.005 | |||
| 10522130 | 28432 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 318 | 3 | 1 | 3 | 4.4 | c1ccc(-c2cc3nc(C4CC4)[nH]c(N4CCCCC4)c-3n2)cc1 | 10.1021/jm000269t | |||
| CHEMBL137530 | 28432 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 318 | 3 | 1 | 3 | 4.4 | c1ccc(-c2cc3nc(C4CC4)[nH]c(N4CCCCC4)c-3n2)cc1 | 10.1021/jm000269t | |||
| 22934144 | 97234 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 275 | 1 | 1 | 2 | 3.9 | Cc1ccc2c(c1)-c1nc(-c3ccccn3)[nH]c1CCC2 | 10.1016/s0960-894x(02)00090-2 | |||
| CHEMBL268654 | 97234 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 275 | 1 | 1 | 2 | 3.9 | Cc1ccc2c(c1)-c1nc(-c3ccccn3)[nH]c1CCC2 | 10.1016/s0960-894x(02)00090-2 | |||
| 44573407 | 187455 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 334 | 3 | 1 | 2 | 4.3 | Fc1ccc(C2(c3ccc(F)cc3)CNC(c3ccccc3)=N2)cc1 | 10.1016/j.bmcl.2009.01.101 | |||
| CHEMBL493971 | 187455 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 334 | 3 | 1 | 2 | 4.3 | Fc1ccc(C2(c3ccc(F)cc3)CNC(c3ccccc3)=N2)cc1 | 10.1016/j.bmcl.2009.01.101 | |||
| 44390147 | 122145 | 0 | None | - | 0 | Mouse | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 376 | 5 | 1 | 4 | 5.7 | CCc1ccccc1C(=O)c1cnc(Nc2cccc(C(F)(F)F)c2)s1 | 10.1016/j.bmcl.2005.01.063 | |||
| CHEMBL359685 | 122145 | 0 | None | - | 0 | Mouse | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 376 | 5 | 1 | 4 | 5.7 | CCc1ccccc1C(=O)c1cnc(Nc2cccc(C(F)(F)F)c2)s1 | 10.1016/j.bmcl.2005.01.063 | |||
| 44370179 | 164890 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 421 | 6 | 3 | 5 | 2.3 | O=C(NNC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1)c1cccs1 | 10.1016/j.bmcl.2003.11.070 | |||
| CHEMBL422150 | 164890 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 421 | 6 | 3 | 5 | 2.3 | O=C(NNC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1)c1cccs1 | 10.1016/j.bmcl.2003.11.070 | |||
| 10892838 | 13006 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 329 | 4 | 1 | 3 | 4.3 | Cn1c2ccccc2c2cc(NC(=O)CCc3ccncc3)ccc21 | 10.1021/jm011125x | |||
| CHEMBL118973 | 13006 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 329 | 4 | 1 | 3 | 4.3 | Cn1c2ccccc2c2cc(NC(=O)CCc3ccncc3)ccc21 | 10.1021/jm011125x | |||
| 10522285 | 116246 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 320 | 3 | 1 | 3 | 4.5 | CCc1c(-c2ccccc2)[nH]c2c(N3CCCCC3)nc(C)nc12 | 10.1021/jm000269t | |||
| CHEMBL335861 | 116246 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 320 | 3 | 1 | 3 | 4.5 | CCc1c(-c2ccccc2)[nH]c2c(N3CCCCC3)nc(C)nc12 | 10.1021/jm000269t | |||
| 23283651 | 103427 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 583 | 10 | 2 | 5 | 6.3 | COc1ccc2c(c1)CCC(NC[C@H]1CC[C@H](CNS(=O)(=O)c3ccc4ccccc4c3)CC1)C2Cc1cccnc1 | 10.1021/jm990468g | |||
| CHEMBL3084875 | 103427 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 583 | 10 | 2 | 5 | 6.3 | COc1ccc2c(c1)CCC(NC[C@H]1CC[C@H](CNS(=O)(=O)c3ccc4ccccc4c3)CC1)C2Cc1cccnc1 | 10.1021/jm990468g | |||
| 11014171 | 104103 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 372 | 4 | 1 | 2 | 5.5 | CN(C(=O)Nc1ccc(Oc2ccccc2)cc1)C1CCc2ccccc2C1 | 10.1021/jm0004547 | |||
| CHEMBL309370 | 104103 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 372 | 4 | 1 | 2 | 5.5 | CN(C(=O)Nc1ccc(Oc2ccccc2)cc1)C1CCc2ccccc2C1 | 10.1021/jm0004547 | |||
| 11067876 | 11041 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 343 | 5 | 1 | 3 | 4.1 | CCn1c2ccccc2c2cc(CNC(=O)Cc3ccncc3)ccc21 | 10.1021/jm011125x | |||
| CHEMBL117626 | 11041 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 343 | 5 | 1 | 3 | 4.1 | CCn1c2ccccc2c2cc(CNC(=O)Cc3ccncc3)ccc21 | 10.1021/jm011125x | |||
| 136058111 | 203521 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 499 | 7 | 2 | 5 | 4.4 | COc1ccc2c(c1)CCC1N=C(NC[C@H]3CC[C@H](CNS(=O)(=O)c4ccccc4F)CC3)CC21 | 10.1016/s0960-894x(99)00676-9 | |||
| CHEMBL66371 | 203521 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 499 | 7 | 2 | 5 | 4.4 | COc1ccc2c(c1)CCC1N=C(NC[C@H]3CC[C@H](CNS(=O)(=O)c4ccccc4F)CC3)CC21 | 10.1016/s0960-894x(99)00676-9 | |||
| 11078514 | 204991 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 346 | 6 | 1 | 2 | 5.2 | CN(CCc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)cc1 | 10.1021/jm0004547 | |||
| CHEMBL76661 | 204991 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 346 | 6 | 1 | 2 | 5.2 | CN(CCc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)cc1 | 10.1021/jm0004547 | |||
| 11003942 | 110398 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 402 | 3 | 1 | 5 | 2.3 | CN(C)S(=O)(=O)n1c2ccccc2c2cc(NC(=O)N3CCOCC3)ccc21 | 10.1021/jm011125x | |||
| CHEMBL324366 | 110398 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 402 | 3 | 1 | 5 | 2.3 | CN(C)S(=O)(=O)n1c2ccccc2c2cc(NC(=O)N3CCOCC3)ccc21 | 10.1021/jm011125x | |||
| 44344734 | 112899 | 1 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 348 | 6 | 1 | 4 | 4.0 | O=C(CSc1ccncc1)Nc1ccc(C(=O)c2ccccc2)cc1 | 10.1021/jm011125x | |||
| CHEMBL331019 | 112899 | 1 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 348 | 6 | 1 | 4 | 4.0 | O=C(CSc1ccncc1)Nc1ccc(C(=O)c2ccccc2)cc1 | 10.1021/jm011125x | |||
| 44573607 | 192872 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 336 | 3 | 1 | 4 | 3.0 | Fc1ccc(C2(c3ccc(F)cc3)CNC(c3ncccn3)=N2)cc1 | 10.1016/j.bmcl.2009.01.101 | |||
| CHEMBL522192 | 192872 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 336 | 3 | 1 | 4 | 3.0 | Fc1ccc(C2(c3ccc(F)cc3)CNC(c3ncccn3)=N2)cc1 | 10.1016/j.bmcl.2009.01.101 | |||
| 44313274 | 204725 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 395 | 3 | 1 | 3 | 5.6 | Cc1cc(C(=O)Nc2cccc3ccccc23)nn1-c1cccc(C(F)(F)F)c1 | 10.1016/s0960-894x(01)00449-8 | |||
| CHEMBL74252 | 204725 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 395 | 3 | 1 | 3 | 5.6 | Cc1cc(C(=O)Nc2cccc3ccccc23)nn1-c1cccc(C(F)(F)F)c1 | 10.1016/s0960-894x(01)00449-8 | |||
| 44313223 | 102892 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 423 | 3 | 1 | 3 | 5.2 | Cc1cc(C(=O)Nc2cccc(Br)c2)nn1-c1cccc(C(F)(F)F)c1 | 10.1016/s0960-894x(01)00449-8 | |||
| CHEMBL305922 | 102892 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 423 | 3 | 1 | 3 | 5.2 | Cc1cc(C(=O)Nc2cccc(Br)c2)nn1-c1cccc(C(F)(F)F)c1 | 10.1016/s0960-894x(01)00449-8 | |||
| 9903829 | 116681 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 280 | 4 | 1 | 3 | 3.7 | CCN(CC)c1[nH]c(C)nc2cc(-c3ccccc3)nc1-2 | 10.1021/jm000269t | |||
| CHEMBL337152 | 116681 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 280 | 4 | 1 | 3 | 3.7 | CCN(CC)c1[nH]c(C)nc2cc(-c3ccccc3)nc1-2 | 10.1021/jm000269t | |||
| 22325346 | 173067 | 1 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 333 | 1 | 1 | 4 | 3.5 | Cc1ccc2[nH]c(N3CCC4(CC3)OC(=O)c3ccccc34)nc2c1 | 10.1016/j.bmcl.2008.08.018 | |||
| CHEMBL451955 | 173067 | 1 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 333 | 1 | 1 | 4 | 3.5 | Cc1ccc2[nH]c(N3CCC4(CC3)OC(=O)c3ccccc34)nc2c1 | 10.1016/j.bmcl.2008.08.018 | |||
| 9806525 | 100254 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 514 | 8 | 2 | 4 | 3.8 | O=C(Cc1ccccc1)NC1CCN(CC(=O)NC2CCc3cc(F)ccc3C2Cc2cccnc2)CC1 | 10.1016/s0960-894x(00)00311-5 | |||
| CHEMBL288763 | 100254 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 514 | 8 | 2 | 4 | 3.8 | O=C(Cc1ccccc1)NC1CCN(CC(=O)NC2CCc3cc(F)ccc3C2Cc2cccnc2)CC1 | 10.1016/s0960-894x(00)00311-5 | |||
| 22325338 | 193392 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 349 | 2 | 1 | 5 | 3.2 | COc1ccc2[nH]c(N3CCC4(CC3)OC(=O)c3ccccc34)nc2c1 | 10.1016/j.bmcl.2008.08.018 | |||
| CHEMBL525543 | 193392 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 349 | 2 | 1 | 5 | 3.2 | COc1ccc2[nH]c(N3CCC4(CC3)OC(=O)c3ccccc34)nc2c1 | 10.1016/j.bmcl.2008.08.018 | |||
| 44313042 | 170070 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 434 | 6 | 2 | 6 | 4.2 | COc1ccc(S(=O)(=O)Nc2ccc(-c3cc(N)n(-c4cccc(C)c4)n3)cc2)cc1 | 10.1016/s0960-894x(01)00448-6 | |||
| CHEMBL444319 | 170070 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 434 | 6 | 2 | 6 | 4.2 | COc1ccc(S(=O)(=O)Nc2ccc(-c3cc(N)n(-c4cccc(C)c4)n3)cc2)cc1 | 10.1016/s0960-894x(01)00448-6 | |||
| 44312926 | 204620 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 438 | 6 | 2 | 6 | 4.1 | COc1ccc(S(=O)(=O)Nc2ccc(-c3cc(N)n(-c4ccc(F)cc4)n3)cc2)cc1 | 10.1016/s0960-894x(01)00448-6 | |||
| CHEMBL73401 | 204620 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 438 | 6 | 2 | 6 | 4.1 | COc1ccc(S(=O)(=O)Nc2ccc(-c3cc(N)n(-c4ccc(F)cc4)n3)cc2)cc1 | 10.1016/s0960-894x(01)00448-6 | |||
| 44460713 | 205602 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 405 | 5 | 1 | 6 | 3.2 | COCC(=O)N1CCC(CNc2nc3c(s2)CCOc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
| CHEMBL81551 | 205602 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 405 | 5 | 1 | 6 | 3.2 | COCC(=O)N1CCC(CNc2nc3c(s2)CCOc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
| 9805850 | 166145 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 496 | 6 | 2 | 5 | 4.0 | CC(C)(C)OC(=O)NC1CCN(CC(=O)NC2CCc3cc(F)ccc3C2Cc2cccnc2)CC1 | 10.1016/s0960-894x(00)00311-5 | |||
| CHEMBL42620 | 166145 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 496 | 6 | 2 | 5 | 4.0 | CC(C)(C)OC(=O)NC1CCN(CC(=O)NC2CCc3cc(F)ccc3C2Cc2cccnc2)CC1 | 10.1016/s0960-894x(00)00311-5 | |||
| 21336511 | 57183 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 476 | 8 | 2 | 3 | 5.3 | O=S(=O)(NC[C@H]1CC[C@@H](CNCC2CCc3ccccc3C2)CC1)c1cccc2ccccc12 | 10.1016/s0960-894x(02)00002-1 | |||
| CHEMBL164897 | 57183 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 476 | 8 | 2 | 3 | 5.3 | O=S(=O)(NC[C@H]1CC[C@@H](CNCC2CCc3ccccc3C2)CC1)c1cccc2ccccc12 | 10.1016/s0960-894x(02)00002-1 | |||
| 44461145 | 205393 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 435 | 6 | 1 | 5 | 4.9 | CCCCC(=O)N1CCC(CNc2nc3c(s2)CCOc2cc(F)c(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
| CHEMBL80006 | 205393 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 435 | 6 | 1 | 5 | 4.9 | CCCCC(=O)N1CCC(CNc2nc3c(s2)CCOc2cc(F)c(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
| 70684602 | 76908 | 0 | None | - | 0 | Mouse | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 363 | 4 | 1 | 4 | 4.1 | CCS(=O)(=O)c1ccc2[nH]c(-c3cccc(-c4ccccc4)n3)nc2c1 | 10.1016/j.bmcl.2012.07.020 | |||
| CHEMBL2070154 | 76908 | 0 | None | - | 0 | Mouse | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 363 | 4 | 1 | 4 | 4.1 | CCS(=O)(=O)c1ccc2[nH]c(-c3cccc(-c4ccccc4)n3)nc2c1 | 10.1016/j.bmcl.2012.07.020 | |||
| 10832634 | 28172 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 328 | 2 | 1 | 3 | 4.2 | Cc1nc(N2CCCCC2)c2[nH]c(-c3c(F)cccc3F)cc2n1 | 10.1021/jm000269t | |||
| CHEMBL137350 | 28172 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 328 | 2 | 1 | 3 | 4.2 | Cc1nc(N2CCCCC2)c2[nH]c(-c3c(F)cccc3F)cc2n1 | 10.1021/jm000269t | |||
| 11825270 | 204955 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 388 | 7 | 1 | 2 | 6.2 | CC(C)C(Cc1ccccc1)N(C)C(=O)Nc1ccc(Oc2ccccc2)cc1 | 10.1021/jm0004547 | |||
| CHEMBL76439 | 204955 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 388 | 7 | 1 | 2 | 6.2 | CC(C)C(Cc1ccccc1)N(C)C(=O)Nc1ccc(Oc2ccccc2)cc1 | 10.1021/jm0004547 | |||
| 25881665 | 179845 | 5 | None | - | 0 | Mouse | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 397 | 3 | 1 | 7 | 1.8 | CS(=O)(=O)N1CCCC[C@H]1C(=O)Nc1nc2cc3c(cc2s1)OCCO3 | 10.1021/acs.jmedchem.0c02000 | |||
| CHEMBL4745232 | 179845 | 5 | None | - | 0 | Mouse | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 397 | 3 | 1 | 7 | 1.8 | CS(=O)(=O)N1CCCC[C@H]1C(=O)Nc1nc2cc3c(cc2s1)OCCO3 | 10.1021/acs.jmedchem.0c02000 | |||
| 25881665 | 179845 | 5 | None | - | 0 | Mouse | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 397 | 3 | 1 | 7 | 1.8 | CS(=O)(=O)N1CCCC[C@H]1C(=O)Nc1nc2cc3c(cc2s1)OCCO3 | 10.1021/acs.jmedchem.0c02000 | |||
| CHEMBL4745232 | 179845 | 5 | None | - | 0 | Mouse | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 397 | 3 | 1 | 7 | 1.8 | CS(=O)(=O)N1CCCC[C@H]1C(=O)Nc1nc2cc3c(cc2s1)OCCO3 | 10.1021/acs.jmedchem.0c02000 | |||
| 70693069 | 76907 | 0 | None | - | 0 | Mouse | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 376 | 4 | 1 | 3 | 5.0 | CCS(=O)(=O)c1ccc2[nH]c(-c3cc(-c4ccccc4)ccc3C)nc2c1 | 10.1016/j.bmcl.2012.07.020 | |||
| CHEMBL2070153 | 76907 | 0 | None | - | 0 | Mouse | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 376 | 4 | 1 | 3 | 5.0 | CCS(=O)(=O)c1ccc2[nH]c(-c3cc(-c4ccccc4)ccc3C)nc2c1 | 10.1016/j.bmcl.2012.07.020 | |||
| 135430853 | 102077 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 451 | 6 | 2 | 4 | 4.3 | O=S(=O)(NC[C@H]1CC[C@H](CNC2=NC3CCc4ccccc4C3C2)CC1)c1ccccc1 | 10.1016/s0960-894x(99)00676-9 | |||
| CHEMBL1744020 | 102077 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 451 | 6 | 2 | 4 | 4.3 | O=S(=O)(NC[C@H]1CC[C@H](CNC2=NC3CCc4ccccc4C3C2)CC1)c1ccccc1 | 10.1016/s0960-894x(99)00676-9 | |||
| CHEMBL302126 | 102077 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 451 | 6 | 2 | 4 | 4.3 | O=S(=O)(NC[C@H]1CC[C@H](CNC2=NC3CCc4ccccc4C3C2)CC1)c1ccccc1 | 10.1016/s0960-894x(99)00676-9 | |||
| 44377452 | 120159 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 521 | 9 | 2 | 5 | 4.4 | COc1ccc2c(c1)CC(CNC1CCN(CCNS(=O)(=O)c3cccc4ccccc34)CC1)CCC2 | 10.1016/s0960-894x(02)00002-1 | |||
| CHEMBL351508 | 120159 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 521 | 9 | 2 | 5 | 4.4 | COc1ccc2c(c1)CC(CNC1CCN(CCNS(=O)(=O)c3cccc4ccccc34)CC1)CCC2 | 10.1016/s0960-894x(02)00002-1 | |||
| 44579807 | 193278 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 352 | 1 | 1 | 3 | 4.9 | O=C1O[C@]2(CC[C@H](c3nc4cc(Cl)ccc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.021 | |||
| CHEMBL523964 | 193278 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 352 | 1 | 1 | 3 | 4.9 | O=C1O[C@]2(CC[C@H](c3nc4cc(Cl)ccc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.021 | |||
| 44573646 | 187267 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 360 | 3 | 1 | 4 | 3.5 | N#Cc1cccc(C2=NC(c3ccc(F)cc3)(c3ccc(F)cc3)CN2)n1 | 10.1016/j.bmcl.2009.01.101 | |||
| CHEMBL492766 | 187267 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 360 | 3 | 1 | 4 | 3.5 | N#Cc1cccc(C2=NC(c3ccc(F)cc3)(c3ccc(F)cc3)CN2)n1 | 10.1016/j.bmcl.2009.01.101 | |||
| 44289827 | 165635 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 499 | 7 | 2 | 3 | 5.2 | O=C(NC[C@H]1CC[C@H](C(=O)NC2CCc3cc(F)ccc3C2Cc2cccnc2)CC1)c1ccccc1 | 10.1016/s0960-894x(00)00311-5 | |||
| CHEMBL42437 | 165635 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 499 | 7 | 2 | 3 | 5.2 | O=C(NC[C@H]1CC[C@H](C(=O)NC2CCc3cc(F)ccc3C2Cc2cccnc2)CC1)c1ccccc1 | 10.1016/s0960-894x(00)00311-5 | |||
| 10052377 | 12827 | 0 | None | - | 0 | Rat | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 483 | 6 | 1 | 5 | 4.8 | Cc1cccc2c1N(C1CCN(CC(=O)Nc3ccc(C(=O)c4ccccc4)cc3)CC1)C(=O)OC2 | 10.1021/jm049599u | |||
| CHEMBL1188389 | 12827 | 0 | None | - | 0 | Rat | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 483 | 6 | 1 | 5 | 4.8 | Cc1cccc2c1N(C1CCN(CC(=O)Nc3ccc(C(=O)c4ccccc4)cc3)CC1)C(=O)OC2 | 10.1021/jm049599u | |||
| CHEMBL536276 | 12827 | 0 | None | - | 0 | Rat | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 483 | 6 | 1 | 5 | 4.8 | Cc1cccc2c1N(C1CCN(CC(=O)Nc3ccc(C(=O)c4ccccc4)cc3)CC1)C(=O)OC2 | 10.1021/jm049599u | |||
| 11035908 | 14027 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 365 | 2 | 1 | 3 | 4.9 | Cc1cc2c(c(C)c1NC(=O)N1CCOCC1)c1ccccc1n2C(C)C | 10.1021/jm011125x | |||
| CHEMBL119726 | 14027 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 365 | 2 | 1 | 3 | 4.9 | Cc1cc2c(c(C)c1NC(=O)N1CCOCC1)c1ccccc1n2C(C)C | 10.1021/jm011125x | |||
| 44390162 | 64351 | 0 | None | - | 0 | Mouse | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 382 | 4 | 1 | 5 | 5.8 | Cc1cc(C(=O)c2cnc(Nc3cccc(C(F)(F)F)c3)s2)c(C)s1 | 10.1016/j.bmcl.2005.01.063 | |||
| CHEMBL181250 | 64351 | 0 | None | - | 0 | Mouse | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 382 | 4 | 1 | 5 | 5.8 | Cc1cc(C(=O)c2cnc(Nc3cccc(C(F)(F)F)c3)s2)c(C)s1 | 10.1016/j.bmcl.2005.01.063 | |||
| 18004995 | 187306 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 454 | 2 | 2 | 3 | 3.6 | NS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.02.035 | |||
| CHEMBL492986 | 187306 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 454 | 2 | 2 | 3 | 3.6 | NS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.02.035 | |||
| 44461006 | 104158 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 443 | 4 | 1 | 6 | 3.8 | O=C1CC[C@H](C(=O)N2CCC(CNc3nc4c(s3)CCCc3ccc(F)cc3-4)CC2)O1 | 10.1016/j.bmcl.2004.03.014 | |||
| CHEMBL309550 | 104158 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 443 | 4 | 1 | 6 | 3.8 | O=C1CC[C@H](C(=O)N2CCC(CNc3nc4c(s3)CCCc3ccc(F)cc3-4)CC2)O1 | 10.1016/j.bmcl.2004.03.014 | |||
| 44460920 | 164693 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 416 | 5 | 1 | 5 | 3.7 | CN(C)CC(=O)N1CCC(CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
| CHEMBL421714 | 164693 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 416 | 5 | 1 | 5 | 3.7 | CN(C)CC(=O)N1CCC(CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
| 10139215 | 205668 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 456 | 5 | 1 | 5 | 4.6 | O=C(CN1CCCCC1)N1CCC(CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
| CHEMBL82080 | 205668 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 456 | 5 | 1 | 5 | 4.6 | O=C(CN1CCCCC1)N1CCC(CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
| 10111791 | 205884 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 403 | 4 | 1 | 5 | 4.7 | CCOC(=O)N1CCC(CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
| CHEMBL83860 | 205884 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 403 | 4 | 1 | 5 | 4.7 | CCOC(=O)N1CCC(CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
| 101138140 | 104884 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 421 | 7 | 2 | 5 | 5.0 | C[C@H]([C@@H](O)c1ccccc1)N(C)C(=O)Nc1ccc(Oc2cccc([N+](=O)[O-])c2)cc1 | 10.1021/jm0004547 | |||
| 10982716 | 104884 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 421 | 7 | 2 | 5 | 5.0 | C[C@H]([C@@H](O)c1ccccc1)N(C)C(=O)Nc1ccc(Oc2cccc([N+](=O)[O-])c2)cc1 | 10.1021/jm0004547 | |||
| CHEMBL311159 | 104884 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 421 | 7 | 2 | 5 | 5.0 | C[C@H]([C@@H](O)c1ccccc1)N(C)C(=O)Nc1ccc(Oc2cccc([N+](=O)[O-])c2)cc1 | 10.1021/jm0004547 | |||
| 10959710 | 205073 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 374 | 4 | 2 | 3 | 5.2 | C[C@H]([C@@H](O)c1ccccc1)N(C)C(=O)Nc1ccc2oc3ccccc3c2c1 | 10.1021/jm0004547 | |||
| CHEMBL77333 | 205073 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 374 | 4 | 2 | 3 | 5.2 | C[C@H]([C@@H](O)c1ccccc1)N(C)C(=O)Nc1ccc2oc3ccccc3c2c1 | 10.1021/jm0004547 | |||
| 71519166 | 86171 | 0 | None | - | 0 | Mouse | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 379 | 5 | 1 | 5 | 4.2 | CCS(=O)(=O)c1ccc2[nH]c(Oc3ccc(-c4ccccn4)cc3)nc2c1 | 10.1016/j.bmcl.2012.11.005 | |||
| CHEMBL2312074 | 86171 | 0 | None | - | 0 | Mouse | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 379 | 5 | 1 | 5 | 4.2 | CCS(=O)(=O)c1ccc2[nH]c(Oc3ccc(-c4ccccn4)cc3)nc2c1 | 10.1016/j.bmcl.2012.11.005 | |||
| 46912902 | 125435 | 0 | None | - | 0 | Mouse | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 416 | 5 | 2 | 2 | 5.4 | O=C(N[C@H]1CC[C@@H](C(=O)Nc2cccc(-c3ccccc3F)c2)CC1)c1ccccc1 | nan | |||
| CHEMBL3646129 | 125435 | 0 | None | - | 0 | Mouse | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 416 | 5 | 2 | 2 | 5.4 | O=C(N[C@H]1CC[C@@H](C(=O)Nc2cccc(-c3ccccc3F)c2)CC1)c1ccccc1 | nan | |||
| 68604357 | 125438 | 0 | None | - | 0 | Mouse | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 407 | 5 | 2 | 4 | 4.4 | O=C(N[C@H]1CC[C@@H](C(=O)Nc2cccc(-c3ccccc3F)c2)CC1)c1ccon1 | nan | |||
| CHEMBL3646132 | 125438 | 0 | None | - | 0 | Mouse | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 407 | 5 | 2 | 4 | 4.4 | O=C(N[C@H]1CC[C@@H](C(=O)Nc2cccc(-c3ccccc3F)c2)CC1)c1ccon1 | nan | |||
| 9890550 | 193176 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 462 | 3 | 1 | 4 | 4.1 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(-c4ccncc4)cc3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | |||
| CHEMBL523205 | 193176 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 462 | 3 | 1 | 4 | 4.1 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(-c4ccncc4)cc3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | |||
| 45481795 | 198284 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 483 | 4 | 1 | 5 | 3.7 | CCS(=O)(=O)N1CC2(CCN(C(=O)Nc3cn(-c4ccc(F)cc4)cn3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | |||
| CHEMBL575858 | 198284 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 483 | 4 | 1 | 5 | 3.7 | CCS(=O)(=O)N1CC2(CCN(C(=O)Nc3cn(-c4ccc(F)cc4)cn3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | |||
| 9890550 | 193176 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 462 | 3 | 1 | 4 | 4.1 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(-c4ccncc4)cc3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.02.035 | |||
| CHEMBL523205 | 193176 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 462 | 3 | 1 | 4 | 4.1 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(-c4ccncc4)cc3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.02.035 | |||
| 9840567 | 202674 | 0 | None | - | 0 | Rat | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 332 | 3 | 0 | 2 | 5.2 | Cc1cc(N2CCCC2)cc(/C=C/c2cccc(C(F)(F)F)c2)n1 | 10.1021/jm980521l | |||
| CHEMBL61488 | 202674 | 0 | None | - | 0 | Rat | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 332 | 3 | 0 | 2 | 5.2 | Cc1cc(N2CCCC2)cc(/C=C/c2cccc(C(F)(F)F)c2)n1 | 10.1021/jm980521l | |||
| 45481808 | 198326 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 451 | 3 | 1 | 4 | 4.3 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(-c4ccco4)cc3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | |||
| CHEMBL576159 | 198326 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 451 | 3 | 1 | 4 | 4.3 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(-c4ccco4)cc3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | |||
| 9887226 | 200104 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 400 | 3 | 1 | 6 | 3.7 | O=C1O[C@]2(CC[C@H](C(=O)Nc3cnc(-c4ccccc4)cn3)CC2)c2cccnc21 | 10.1016/j.bmc.2009.08.019 | |||
| CHEMBL596031 | 200104 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 400 | 3 | 1 | 6 | 3.7 | O=C1O[C@]2(CC[C@H](C(=O)Nc3cnc(-c4ccccc4)cn3)CC2)c2cccnc21 | 10.1016/j.bmc.2009.08.019 | |||
| 10018851 | 63870 | 1 | None | - | 0 | Mouse | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 319 | 4 | 1 | 5 | 4.3 | Cc1ccccc1C(=O)c1cnc(Nc2cccc(C#N)c2)s1 | 10.1016/j.bmcl.2005.01.063 | |||
| CHEMBL180359 | 63870 | 1 | None | - | 0 | Mouse | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 319 | 4 | 1 | 5 | 4.3 | Cc1ccccc1C(=O)c1cnc(Nc2cccc(C#N)c2)s1 | 10.1016/j.bmcl.2005.01.063 | |||
| 89973939 | 128496 | 0 | None | - | 0 | Mouse | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 383 | 5 | 2 | 5 | 3.4 | CC(C)(C)S(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(C(F)(F)F)co2)CC1 | nan | |||
| CHEMBL3666797 | 128496 | 0 | None | - | 0 | Mouse | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 383 | 5 | 2 | 5 | 3.4 | CC(C)(C)S(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(C(F)(F)F)co2)CC1 | nan | |||
| 56836045 | 81345 | 0 | None | - | 0 | Mouse | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 399 | 3 | 1 | 5 | 3.7 | CC(C)(C)S(=O)(=O)c1ccc2[nH]c(N3CCOC(c4ccccc4)C3)nc2c1 | 10.1016/j.bmcl.2012.09.025 | |||
| CHEMBL2159164 | 81345 | 0 | None | - | 0 | Mouse | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 399 | 3 | 1 | 5 | 3.7 | CC(C)(C)S(=O)(=O)c1ccc2[nH]c(N3CCOC(c4ccccc4)C3)nc2c1 | 10.1016/j.bmcl.2012.09.025 | |||
| 9923839 | 187040 | 1 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 336 | 3 | 1 | 4 | 3.0 | Fc1ccc(C2(c3ccc(F)cc3)CNC(c3cnccn3)=N2)cc1 | 10.1016/j.bmcl.2009.01.101 | |||
| CHEMBL490937 | 187040 | 1 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 336 | 3 | 1 | 4 | 3.0 | Fc1ccc(C2(c3ccc(F)cc3)CNC(c3cnccn3)=N2)cc1 | 10.1016/j.bmcl.2009.01.101 | |||
| 10293081 | 187241 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 379 | 4 | 1 | 4 | 4.2 | O=[N+]([O-])c1cccc(C2=NC(c3ccc(F)cc3)(c3ccc(F)cc3)CN2)c1 | 10.1016/j.bmcl.2009.01.101 | |||
| CHEMBL492594 | 187241 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 379 | 4 | 1 | 4 | 4.2 | O=[N+]([O-])c1cccc(C2=NC(c3ccc(F)cc3)(c3ccc(F)cc3)CN2)c1 | 10.1016/j.bmcl.2009.01.101 | |||
| 71518999 | 86163 | 0 | None | - | 0 | Mouse | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 366 | 6 | 1 | 4 | 3.5 | CCS(=O)(=O)c1ccc2[nH]c(OCC(F)(F)c3ccccc3)nc2c1 | 10.1016/j.bmcl.2012.11.005 | |||
| CHEMBL2312066 | 86163 | 0 | None | - | 0 | Mouse | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 366 | 6 | 1 | 4 | 3.5 | CCS(=O)(=O)c1ccc2[nH]c(OCC(F)(F)c3ccccc3)nc2c1 | 10.1016/j.bmcl.2012.11.005 | |||
| 9952231 | 199820 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 388 | 3 | 1 | 6 | 3.5 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ccn(-c4ccccc4)n3)CC2)c2cccnc21 | 10.1016/j.bmc.2009.08.019 | |||
| CHEMBL594163 | 199820 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 388 | 3 | 1 | 6 | 3.5 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ccn(-c4ccccc4)n3)CC2)c2cccnc21 | 10.1016/j.bmc.2009.08.019 | |||
| 44271377 | 59257 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 429 | 4 | 1 | 5 | 3.6 | O=C(Nc1ccccc1)C1CCN(C(=O)Cn2c(=O)sc3ccc(Cl)cc32)CC1 | 10.1016/s0960-894x(02)00113-0 | |||
| CHEMBL17037 | 59257 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 429 | 4 | 1 | 5 | 3.6 | O=C(Nc1ccccc1)C1CCN(C(=O)Cn2c(=O)sc3ccc(Cl)cc32)CC1 | 10.1016/s0960-894x(02)00113-0 | |||
| 46912987 | 125436 | 0 | None | - | 0 | Mouse | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 421 | 5 | 2 | 5 | 4.1 | CC(C)n1c(=O)oc2cc(NC(=O)[C@H]3CC[C@@H](NC(=O)c4ccccc4)CC3)ccc21 | nan | |||
| CHEMBL3646130 | 125436 | 0 | None | - | 0 | Mouse | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 421 | 5 | 2 | 5 | 4.1 | CC(C)n1c(=O)oc2cc(NC(=O)[C@H]3CC[C@@H](NC(=O)c4ccccc4)CC3)ccc21 | nan | |||
| 45487629 | 199025 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 448 | 5 | 1 | 7 | 4.0 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ncc(-c4ccccc4OCF)cn3)CC2)c2cccnc21 | 10.1016/j.bmcl.2009.07.103 | |||
| CHEMBL585854 | 199025 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 448 | 5 | 1 | 7 | 4.0 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ncc(-c4ccccc4OCF)cn3)CC2)c2cccnc21 | 10.1016/j.bmcl.2009.07.103 | |||
| 44579863 | 187100 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 410 | 2 | 1 | 5 | 4.7 | COC(=O)c1ccc2[nH]c([C@H]3CC[C@@]4(CC3)OC(=O)c3ccccc34)nc2c1Cl | 10.1016/j.bmcl.2008.08.021 | |||
| CHEMBL491436 | 187100 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 410 | 2 | 1 | 5 | 4.7 | COC(=O)c1ccc2[nH]c([C@H]3CC[C@@]4(CC3)OC(=O)c3ccccc34)nc2c1Cl | 10.1016/j.bmcl.2008.08.021 | |||
| 20629114 | 73448 | 47 | None | - | 1 | Mouse | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 407 | 4 | 2 | 4 | 3.3 | CC(C)(C)S(=O)(=O)N[C@H]1CC[C@H](C(=O)Nc2ccc(C(F)(F)F)cn2)CC1 | 10.1016/j.bmcl.2012.09.025 | |||
| CHEMBL2016681 | 73448 | 47 | None | - | 1 | Mouse | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 407 | 4 | 2 | 4 | 3.3 | CC(C)(C)S(=O)(=O)N[C@H]1CC[C@H](C(=O)Nc2ccc(C(F)(F)F)cn2)CC1 | 10.1016/j.bmcl.2012.09.025 | |||
| 20629114 | 73448 | 47 | None | - | 1 | Mouse | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 407 | 4 | 2 | 4 | 3.3 | CC(C)(C)S(=O)(=O)N[C@H]1CC[C@H](C(=O)Nc2ccc(C(F)(F)F)cn2)CC1 | 10.1016/j.bmcl.2012.11.005 | |||
| CHEMBL2016681 | 73448 | 47 | None | - | 1 | Mouse | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 407 | 4 | 2 | 4 | 3.3 | CC(C)(C)S(=O)(=O)N[C@H]1CC[C@H](C(=O)Nc2ccc(C(F)(F)F)cn2)CC1 | 10.1016/j.bmcl.2012.11.005 | |||
| 9952232 | 199969 | 0 | None | - | 0 | Rat | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 388 | 3 | 1 | 6 | 3.5 | O=C1O[C@]2(CC[C@H](C(=O)Nc3cnn(-c4ccccc4)c3)CC2)c2cccnc21 | 10.1016/j.bmc.2009.08.019 | |||
| CHEMBL595120 | 199969 | 0 | None | - | 0 | Rat | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 388 | 3 | 1 | 6 | 3.5 | O=C1O[C@]2(CC[C@H](C(=O)Nc3cnn(-c4ccccc4)c3)CC2)c2cccnc21 | 10.1016/j.bmc.2009.08.019 | |||
| 44271284 | 58089 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 459 | 4 | 2 | 6 | 3.6 | Cc1cc(O)ccc1NC(=O)C1CCN(C(=O)Cn2c(=O)sc3ccc(Cl)cc32)CC1 | 10.1016/s0960-894x(02)00113-0 | |||
| CHEMBL16740 | 58089 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 459 | 4 | 2 | 6 | 3.6 | Cc1cc(O)ccc1NC(=O)C1CCN(C(=O)Cn2c(=O)sc3ccc(Cl)cc32)CC1 | 10.1016/s0960-894x(02)00113-0 | |||
| 44271318 | 98440 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 504 | 4 | 1 | 7 | 4.4 | O=C(Nc1nc2cc(Cl)ccc2o1)C1CCN(C(=O)Cn2c(=O)sc3ccc(Cl)cc32)CC1 | 10.1016/s0960-894x(02)00113-0 | |||
| CHEMBL275642 | 98440 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 504 | 4 | 1 | 7 | 4.4 | O=C(Nc1nc2cc(Cl)ccc2o1)C1CCN(C(=O)Cn2c(=O)sc3ccc(Cl)cc32)CC1 | 10.1016/s0960-894x(02)00113-0 | |||
| 22325320 | 184205 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 355 | 1 | 1 | 4 | 3.5 | O=C1OC2(CCN(c3nc4cc(F)c(F)cc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.018 | |||
| CHEMBL483252 | 184205 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 355 | 1 | 1 | 4 | 3.5 | O=C1OC2(CCN(c3nc4cc(F)c(F)cc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.018 | |||
| 44573648 | 172762 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 360 | 3 | 1 | 4 | 3.5 | N#Cc1cc(C2=NC(c3ccc(F)cc3)(c3ccc(F)cc3)CN2)ccn1 | 10.1016/j.bmcl.2009.01.101 | |||
| CHEMBL451113 | 172762 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 360 | 3 | 1 | 4 | 3.5 | N#Cc1cc(C2=NC(c3ccc(F)cc3)(c3ccc(F)cc3)CN2)ccn1 | 10.1016/j.bmcl.2009.01.101 | |||
| 10273149 | 187522 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 412 | 3 | 1 | 2 | 5.0 | Fc1ccc(C2(c3ccc(F)cc3)CNC(c3cccc(Br)c3)=N2)cc1 | 10.1016/j.bmcl.2009.01.101 | |||
| CHEMBL494398 | 187522 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 412 | 3 | 1 | 2 | 5.0 | Fc1ccc(C2(c3ccc(F)cc3)CNC(c3cccc(Br)c3)=N2)cc1 | 10.1016/j.bmcl.2009.01.101 | |||
| 45481797 | 198325 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 495 | 5 | 1 | 6 | 3.6 | CCS(=O)(=O)N1CC2(CCN(C(=O)Nc3cn(-c4ccccc4OC)cn3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | |||
| CHEMBL576158 | 198325 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 495 | 5 | 1 | 6 | 3.6 | CCS(=O)(=O)N1CC2(CCN(C(=O)Nc3cn(-c4ccccc4OC)cn3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | |||
| 44401508 | 69821 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 433 | 10 | 2 | 6 | 3.6 | CCCCS(=O)(=O)NCC1CCC(CNc2nc(N(C)C)c3ccccc3n2)CC1 | 10.1016/j.bmcl.2005.03.052 | |||
| CHEMBL193666 | 69821 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 433 | 10 | 2 | 6 | 3.6 | CCCCS(=O)(=O)NCC1CCC(CNc2nc(N(C)C)c3ccccc3n2)CC1 | 10.1016/j.bmcl.2005.03.052 | |||
| 56835976 | 81158 | 0 | None | - | 0 | Mouse | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 398 | 5 | 1 | 5 | 3.2 | CCCS(=O)(=O)c1ccc2[nH]c(N3CCN(C)C(c4ccccc4)C3)nc2c1 | 10.1016/j.bmcl.2012.09.025 | |||
| CHEMBL2158014 | 81158 | 0 | None | - | 0 | Mouse | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 398 | 5 | 1 | 5 | 3.2 | CCCS(=O)(=O)c1ccc2[nH]c(N3CCN(C)C(c4ccccc4)C3)nc2c1 | 10.1016/j.bmcl.2012.09.025 | |||
| 44344629 | 110341 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 365 | 2 | 1 | 4 | 3.6 | O=C(Nc1ccc2c(c1)c1ccccc1n2C1CCOC1)N1CCOCC1 | 10.1021/jm011125x | |||
| CHEMBL324028 | 110341 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 365 | 2 | 1 | 4 | 3.6 | O=C(Nc1ccc2c(c1)c1ccccc1n2C1CCOC1)N1CCOCC1 | 10.1021/jm011125x | |||
| 44312981 | 204427 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 418 | 5 | 2 | 5 | 4.5 | Cc1ccc(-n2nc(-c3ccc(NS(=O)(=O)c4ccc(C)cc4)cc3)cc2N)cc1 | 10.1016/s0960-894x(01)00448-6 | |||
| CHEMBL72133 | 204427 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 418 | 5 | 2 | 5 | 4.5 | Cc1ccc(-n2nc(-c3ccc(NS(=O)(=O)c4ccc(C)cc4)cc3)cc2N)cc1 | 10.1016/s0960-894x(01)00448-6 | |||
| 44461040 | 205324 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 421 | 4 | 1 | 5 | 4.3 | CC(C)C(=O)N1CCC(CNc2nc3c(s2)CCOc2cc(F)c(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
| CHEMBL79500 | 205324 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 421 | 4 | 1 | 5 | 4.3 | CC(C)C(=O)N1CCC(CNc2nc3c(s2)CCOc2cc(F)c(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
| 9867212 | 104895 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 427 | 4 | 1 | 6 | 3.9 | Cc1ccc2c(c1)-c1nc(NCC3CCN(C(=O)[C@H]4CCCO4)CC3)sc1CCO2 | 10.1016/j.bmcl.2004.03.014 | |||
| CHEMBL311229 | 104895 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 427 | 4 | 1 | 6 | 3.9 | Cc1ccc2c(c1)-c1nc(NCC3CCN(C(=O)[C@H]4CCCO4)CC3)sc1CCO2 | 10.1016/j.bmcl.2004.03.014 | |||
| 44344352 | 103428 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 535 | 8 | 2 | 4 | 4.8 | O=C(NC1CCc2cc(F)ccc2C1Cc1cccnc1)[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1 | 10.1021/jm990468g | |||
| CHEMBL3084876 | 103428 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 535 | 8 | 2 | 4 | 4.8 | O=C(NC1CCc2cc(F)ccc2C1Cc1cccnc1)[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1 | 10.1021/jm990468g | |||
| 70695119 | 76903 | 0 | None | - | 0 | Mouse | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 396 | 4 | 1 | 3 | 5.3 | CCS(=O)(=O)c1ccc2[nH]c(-c3cccc(-c4ccccc4)c3Cl)nc2c1 | 10.1016/j.bmcl.2012.07.020 | |||
| CHEMBL2070149 | 76903 | 0 | None | - | 0 | Mouse | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 396 | 4 | 1 | 3 | 5.3 | CCS(=O)(=O)c1ccc2[nH]c(-c3cccc(-c4ccccc4)c3Cl)nc2c1 | 10.1016/j.bmcl.2012.07.020 | |||
| 10715854 | 28285 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 361 | 3 | 1 | 4 | 4.6 | c1ccc(-c2cc3nc(N4CCCCC4)nc(N4CCCCC4)c3[nH]2)cc1 | 10.1021/jm000269t | |||
| CHEMBL137428 | 28285 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 361 | 3 | 1 | 4 | 4.6 | c1ccc(-c2cc3nc(N4CCCCC4)nc(N4CCCCC4)c3[nH]2)cc1 | 10.1021/jm000269t | |||
| 10667094 | 116797 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 337 | 5 | 2 | 5 | 2.7 | Cc1nc(NCCN2CCOCC2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | |||
| CHEMBL337815 | 116797 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 337 | 5 | 2 | 5 | 2.7 | Cc1nc(NCCN2CCOCC2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | |||
| 70695117 | 76893 | 0 | None | - | 0 | Mouse | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 376 | 5 | 1 | 3 | 5.1 | CCCS(=O)(=O)c1ccc2[nH]c(-c3ccccc3-c3ccccc3)nc2c1 | 10.1016/j.bmcl.2012.07.020 | |||
| CHEMBL2070139 | 76893 | 0 | None | - | 0 | Mouse | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 376 | 5 | 1 | 3 | 5.1 | CCCS(=O)(=O)c1ccc2[nH]c(-c3ccccc3-c3ccccc3)nc2c1 | 10.1016/j.bmcl.2012.07.020 | |||
| 10642181 | 165162 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 322 | 3 | 1 | 4 | 3.9 | COc1ccc(-c2cc3[nH]c(C)nc(N4CCCCC4)c-3n2)cc1 | 10.1021/jm000269t | |||
| CHEMBL422816 | 165162 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 322 | 3 | 1 | 4 | 3.9 | COc1ccc(-c2cc3[nH]c(C)nc(N4CCCCC4)c-3n2)cc1 | 10.1021/jm000269t | |||
| 45481643 | 198056 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 452 | 3 | 1 | 6 | 2.6 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(-n4nccn4)cc3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | |||
| CHEMBL574089 | 198056 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 452 | 3 | 1 | 6 | 2.6 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(-n4nccn4)cc3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | |||
| 44460789 | 205307 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 460 | 5 | 1 | 7 | 2.9 | O=C(CN1CCOCC1)N1CCC(CNc2nc3c(s2)CCOc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
| CHEMBL79302 | 205307 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 460 | 5 | 1 | 7 | 2.9 | O=C(CN1CCOCC1)N1CCC(CNc2nc3c(s2)CCOc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
| 44401460 | 70907 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 391 | 7 | 2 | 6 | 2.5 | CN(C)c1nc(NCC2CCC(CNS(C)(=O)=O)CC2)nc2ccccc12 | 10.1016/j.bmcl.2005.03.052 | |||
| CHEMBL195123 | 70907 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 391 | 7 | 2 | 6 | 2.5 | CN(C)c1nc(NCC2CCC(CNS(C)(=O)=O)CC2)nc2ccccc12 | 10.1016/j.bmcl.2005.03.052 | |||
| 71519001 | 86165 | 0 | None | - | 0 | Mouse | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 370 | 4 | 1 | 4 | 4.2 | CCS(=O)(=O)c1ccc2[nH]c(Oc3cccc(C(F)(F)F)c3)nc2c1 | 10.1016/j.bmcl.2012.11.005 | |||
| CHEMBL2312068 | 86165 | 0 | None | - | 0 | Mouse | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 370 | 4 | 1 | 4 | 4.2 | CCS(=O)(=O)c1ccc2[nH]c(Oc3cccc(C(F)(F)F)c3)nc2c1 | 10.1016/j.bmcl.2012.11.005 | |||
| 44370176 | 51592 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 485 | 6 | 3 | 5 | 3.8 | Cc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)NNC(=O)c3cc4ccccc4s3)CC2)cc1 | 10.1016/j.bmcl.2003.11.070 | |||
| CHEMBL158344 | 51592 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 485 | 6 | 3 | 5 | 3.8 | Cc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)NNC(=O)c3cc4ccccc4s3)CC2)cc1 | 10.1016/j.bmcl.2003.11.070 | |||
| 10644957 | 119337 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 368 | 3 | 1 | 3 | 5.6 | Cc1nc(N2CCCCC2)c2[nH]c(-c3ccccc3)c(-c3ccccc3)c2n1 | 10.1021/jm000269t | |||
| CHEMBL344228 | 119337 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 368 | 3 | 1 | 3 | 5.6 | Cc1nc(N2CCCCC2)c2[nH]c(-c3ccccc3)c(-c3ccccc3)c2n1 | 10.1021/jm000269t | |||
| 10421577 | 203896 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 235 | 2 | 1 | 2 | 3.4 | Cc1[nH]c(-c2ccccc2)nc1-c1cccnc1 | 10.1016/s0960-894x(02)00090-2 | |||
| CHEMBL6893 | 203896 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 235 | 2 | 1 | 2 | 3.4 | Cc1[nH]c(-c2ccccc2)nc1-c1cccnc1 | 10.1016/s0960-894x(02)00090-2 | |||
| 44573616 | 193112 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 461 | 3 | 1 | 3 | 4.7 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccccc3-c3ccccc3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.02.035 | |||
| CHEMBL522702 | 193112 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 461 | 3 | 1 | 3 | 4.7 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccccc3-c3ccccc3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.02.035 | |||
| 44313596 | 105856 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 429 | 4 | 1 | 4 | 5.4 | Cc1cc(C(=O)Nc2cccc(OC(F)(F)F)c2)nn1-c1cccc(C(F)(F)F)c1 | 10.1016/s0960-894x(01)00449-8 | |||
| CHEMBL312748 | 105856 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 429 | 4 | 1 | 4 | 5.4 | Cc1cc(C(=O)Nc2cccc(OC(F)(F)F)c2)nn1-c1cccc(C(F)(F)F)c1 | 10.1016/s0960-894x(01)00449-8 | |||
| 44312927 | 103083 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 421 | 6 | 2 | 7 | 3.3 | COc1ccc(S(=O)(=O)Nc2ccc(-c3cc(N)n(-c4ccccn4)n3)cc2)cc1 | 10.1016/s0960-894x(01)00448-6 | |||
| CHEMBL307462 | 103083 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 421 | 6 | 2 | 7 | 3.3 | COc1ccc(S(=O)(=O)Nc2ccc(-c3cc(N)n(-c4ccccn4)n3)cc2)cc1 | 10.1016/s0960-894x(01)00448-6 | |||
| 10497816 | 27688 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 310 | 2 | 1 | 3 | 4.1 | Cc1nc(N2CCCCC2)c2[nH]c(-c3ccccc3F)cc2n1 | 10.1021/jm000269t | |||
| CHEMBL137008 | 27688 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 310 | 2 | 1 | 3 | 4.1 | Cc1nc(N2CCCCC2)c2[nH]c(-c3ccccc3F)cc2n1 | 10.1021/jm000269t | |||
| 44573531 | 193199 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 376 | 4 | 1 | 3 | 4.5 | CC(=O)c1cccc(C2=NC(c3ccc(F)cc3)(c3ccc(F)cc3)CN2)c1 | 10.1016/j.bmcl.2009.01.101 | |||
| CHEMBL523364 | 193199 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 376 | 4 | 1 | 3 | 4.5 | CC(=O)c1cccc(C2=NC(c3ccc(F)cc3)(c3ccc(F)cc3)CN2)c1 | 10.1016/j.bmcl.2009.01.101 | |||
| 70693067 | 76896 | 0 | None | - | 0 | Mouse | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 368 | 4 | 1 | 3 | 4.4 | CCCS(=O)(=O)c1ccc2[nH]c(-c3cccc(C(F)(F)F)c3)nc2c1 | 10.1016/j.bmcl.2012.07.020 | |||
| CHEMBL2070142 | 76896 | 0 | None | - | 0 | Mouse | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 368 | 4 | 1 | 3 | 4.4 | CCCS(=O)(=O)c1ccc2[nH]c(-c3cccc(C(F)(F)F)c3)nc2c1 | 10.1016/j.bmcl.2012.07.020 | |||
| 11110677 | 11048 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 343 | 5 | 1 | 3 | 4.8 | CCn1c2ccccc2c2cccc(NC(=O)CCc3ccncc3)c21 | 10.1021/jm011125x | |||
| CHEMBL117684 | 11048 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 343 | 5 | 1 | 3 | 4.8 | CCn1c2ccccc2c2cccc(NC(=O)CCc3ccncc3)c21 | 10.1021/jm011125x | |||
| 23283666 | 103426 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 582 | 10 | 2 | 4 | 6.9 | COc1ccc2c(c1)CCC(NC[C@H]1CC[C@H](CNS(=O)(=O)c3ccc4ccccc4c3)CC1)C2Cc1ccccc1 | 10.1021/jm990468g | |||
| CHEMBL3084874 | 103426 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 582 | 10 | 2 | 4 | 6.9 | COc1ccc2c(c1)CCC(NC[C@H]1CC[C@H](CNS(=O)(=O)c3ccc4ccccc4c3)CC1)C2Cc1ccccc1 | 10.1021/jm990468g | |||
| 11727519 | 53772 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 339 | 6 | 2 | 2 | 4.7 | O=C(CCCc1ccccc1)Nc1cc(-c2ccc(Cl)cc2)n[nH]1 | 10.1021/jm025513q | |||
| CHEMBL160389 | 53772 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 339 | 6 | 2 | 2 | 4.7 | O=C(CCCc1ccccc1)Nc1cc(-c2ccc(Cl)cc2)n[nH]1 | 10.1021/jm025513q | |||
| 10596340 | 115493 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 350 | 2 | 1 | 3 | 4.7 | Cc1nc(N2CCCCC2)c2[nH]c(C34C[C@H]5C[C@@H](C3)C[C@@H](C4)C5)cc2n1 | 10.1021/jm000269t | |||
| CHEMBL335145 | 115493 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 350 | 2 | 1 | 3 | 4.7 | Cc1nc(N2CCCCC2)c2[nH]c(C34C[C@H]5C[C@@H](C3)C[C@@H](C4)C5)cc2n1 | 10.1021/jm000269t | |||
| 44377450 | 55578 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 521 | 9 | 2 | 5 | 4.4 | COc1ccc2c(c1)CC(NCC1CCN(CCNS(=O)(=O)c3cccc4ccccc34)CC1)CCC2 | 10.1016/s0960-894x(02)00002-1 | |||
| CHEMBL162093 | 55578 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 521 | 9 | 2 | 5 | 4.4 | COc1ccc2c(c1)CC(NCC1CCN(CCNS(=O)(=O)c3cccc4ccccc34)CC1)CCC2 | 10.1016/s0960-894x(02)00002-1 | |||
| 44579809 | 193274 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 396 | 1 | 1 | 3 | 5.0 | O=C1O[C@]2(CC[C@H](c3nc4cc(Br)ccc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.021 | |||
| CHEMBL523943 | 193274 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 396 | 1 | 1 | 3 | 5.0 | O=C1O[C@]2(CC[C@H](c3nc4cc(Br)ccc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.021 | |||
| 18735143 | 163500 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 482 | 6 | 2 | 5 | 3.6 | CC(C)(C)OC(=O)NC1CCN(CC(=O)NC2CCc3cc(F)ccc3C2Cc2cccnc2)C1 | 10.1016/s0960-894x(00)00311-5 | |||
| CHEMBL42020 | 163500 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 482 | 6 | 2 | 5 | 3.6 | CC(C)(C)OC(=O)NC1CCN(CC(=O)NC2CCc3cc(F)ccc3C2Cc2cccnc2)C1 | 10.1016/s0960-894x(00)00311-5 | |||
| 10429613 | 163339 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 376 | 6 | 2 | 3 | 5.1 | C[C@H]([C@H](O)c1ccccc1)N(C)C(=O)Nc1ccc(Oc2ccccc2)cc1 | 10.1021/jm0004547 | |||
| CHEMBL419086 | 163339 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 376 | 6 | 2 | 3 | 5.1 | C[C@H]([C@H](O)c1ccccc1)N(C)C(=O)Nc1ccc(Oc2ccccc2)cc1 | 10.1021/jm0004547 | |||
| 11001068 | 205070 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 300 | 4 | 3 | 3 | 3.0 | C[C@H]([C@@H](O)c1ccccc1)N(C)C(=O)Nc1ccc(O)cc1 | 10.1021/jm0004547 | |||
| CHEMBL77311 | 205070 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 300 | 4 | 3 | 3 | 3.0 | C[C@H]([C@@H](O)c1ccccc1)N(C)C(=O)Nc1ccc(O)cc1 | 10.1021/jm0004547 | |||
| 22934131 | 97037 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 279 | 1 | 1 | 2 | 3.8 | Fc1ccc2c(c1)-c1nc(-c3ccccn3)[nH]c1CCC2 | 10.1016/s0960-894x(02)00090-2 | |||
| CHEMBL266904 | 97037 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 279 | 1 | 1 | 2 | 3.8 | Fc1ccc2c(c1)-c1nc(-c3ccccn3)[nH]c1CCC2 | 10.1016/s0960-894x(02)00090-2 | |||
| 10833009 | 28335 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 334 | 4 | 1 | 3 | 4.8 | CC(C)Cc1nc(N2CCCCC2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | |||
| CHEMBL137464 | 28335 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 334 | 4 | 1 | 3 | 4.8 | CC(C)Cc1nc(N2CCCCC2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | |||
| 44390369 | 64610 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 629 | 9 | 1 | 7 | 5.9 | CN(C)c1nc(NCC2CCC(CN(C)S(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 | 10.1016/j.bmcl.2005.05.121 | |||
| CHEMBL181727 | 64610 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 629 | 9 | 1 | 7 | 5.9 | CN(C)c1nc(NCC2CCC(CN(C)S(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 | 10.1016/j.bmcl.2005.05.121 | |||
| 70695116 | 76892 | 0 | None | - | 0 | Mouse | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 300 | 4 | 1 | 3 | 3.4 | CCCS(=O)(=O)c1ccc2[nH]c(-c3ccccc3)nc2c1 | 10.1016/j.bmcl.2012.07.020 | |||
| CHEMBL2070138 | 76892 | 0 | None | - | 0 | Mouse | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 300 | 4 | 1 | 3 | 3.4 | CCCS(=O)(=O)c1ccc2[nH]c(-c3ccccc3)nc2c1 | 10.1016/j.bmcl.2012.07.020 | |||
| 10005032 | 59222 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 472 | 8 | 2 | 3 | 5.9 | O=S(=O)(NC[C@H]1CC[C@H](CNCc2ccc3ccccc3c2)CC1)c1ccc2ccccc2c1 | 10.1016/s0960-894x(00)00177-3 | |||
| CHEMBL17022 | 59222 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 472 | 8 | 2 | 3 | 5.9 | O=S(=O)(NC[C@H]1CC[C@H](CNCc2ccc3ccccc3c2)CC1)c1ccc2ccccc2c1 | 10.1016/s0960-894x(00)00177-3 | |||
| 44579808 | 173360 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 386 | 1 | 1 | 3 | 5.3 | O=C1O[C@]2(CC[C@H](c3nc4cc(C(F)(F)F)ccc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.021 | |||
| CHEMBL452726 | 173360 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 386 | 1 | 1 | 3 | 5.3 | O=C1O[C@]2(CC[C@H](c3nc4cc(C(F)(F)F)ccc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.021 | |||
| 9967563 | 187655 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 336 | 3 | 1 | 4 | 3.0 | Fc1ccc(C2(c3ccc(F)cc3)CNC(c3cncnc3)=N2)cc1 | 10.1016/j.bmcl.2009.01.101 | |||
| CHEMBL495036 | 187655 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 336 | 3 | 1 | 4 | 3.0 | Fc1ccc(C2(c3ccc(F)cc3)CNC(c3cncnc3)=N2)cc1 | 10.1016/j.bmcl.2009.01.101 | |||
| 11002935 | 52072 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 361 | 4 | 2 | 2 | 5.1 | O=C(Cc1ccc2ccccc2c1)Nc1cc(-c2ccc(Cl)cc2)n[nH]1 | 10.1021/jm025513q | |||
| CHEMBL158732 | 52072 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 361 | 4 | 2 | 2 | 5.1 | O=C(Cc1ccc2ccccc2c1)Nc1cc(-c2ccc(Cl)cc2)n[nH]1 | 10.1021/jm025513q | |||
| 44370214 | 47007 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 547 | 9 | 3 | 5 | 5.7 | CC(C)c1cc(C(C)C)c(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)NNC(=O)c3cccs3)CC2)c(C(C)C)c1 | 10.1016/j.bmcl.2003.11.070 | |||
| CHEMBL154168 | 47007 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 547 | 9 | 3 | 5 | 5.7 | CC(C)c1cc(C(C)C)c(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)NNC(=O)c3cccs3)CC2)c(C(C)C)c1 | 10.1016/j.bmcl.2003.11.070 | |||
| 10517831 | 115356 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 293 | 2 | 1 | 4 | 3.3 | Cc1nc(N2CCCCC2)c2[nH]c(-c3ccccc3)nc2n1 | 10.1021/jm000269t | |||
| CHEMBL334960 | 115356 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 293 | 2 | 1 | 4 | 3.3 | Cc1nc(N2CCCCC2)c2[nH]c(-c3ccccc3)nc2n1 | 10.1021/jm000269t | |||
| 44390499 | 129657 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 579 | 8 | 2 | 6 | 6.0 | CN(C)c1nc(NCC2CCC(CNC(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 | 10.1016/j.bmcl.2005.05.121 | |||
| CHEMBL367355 | 129657 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 579 | 8 | 2 | 6 | 6.0 | CN(C)c1nc(NCC2CCC(CNC(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 | 10.1016/j.bmcl.2005.05.121 | |||
| 10496226 | 28086 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 324 | 3 | 1 | 4 | 4.3 | CSc1nc(N2CCCCC2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | |||
| CHEMBL137296 | 28086 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 324 | 3 | 1 | 4 | 4.3 | CSc1nc(N2CCCCC2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | |||
| 44313099 | 103080 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 470 | 6 | 2 | 6 | 5.1 | COc1ccc(S(=O)(=O)Nc2ccc(-c3cc(N)n(-c4cccc5ccccc45)n3)cc2)cc1 | 10.1016/s0960-894x(01)00448-6 | |||
| CHEMBL307458 | 103080 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 470 | 6 | 2 | 6 | 5.1 | COc1ccc(S(=O)(=O)Nc2ccc(-c3cc(N)n(-c4cccc5ccccc45)n3)cc2)cc1 | 10.1016/s0960-894x(01)00448-6 | |||
| 44370215 | 169055 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 455 | 6 | 3 | 5 | 2.9 | O=C(NNC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccc(Cl)cc2)CC1)c1cccs1 | 10.1016/j.bmcl.2003.11.070 | |||
| CHEMBL439638 | 169055 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 455 | 6 | 3 | 5 | 2.9 | O=C(NNC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccc(Cl)cc2)CC1)c1cccs1 | 10.1016/j.bmcl.2003.11.070 | |||
| 71519332 | 86177 | 0 | None | - | 0 | Mouse | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 412 | 5 | 1 | 3 | 5.2 | CCS(=O)(=O)c1ccc2[nH]c(C(F)(F)c3ccc(-c4ccccc4)cc3)nc2c1 | 10.1016/j.bmcl.2012.11.005 | |||
| CHEMBL2312080 | 86177 | 0 | None | - | 0 | Mouse | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 412 | 5 | 1 | 3 | 5.2 | CCS(=O)(=O)c1ccc2[nH]c(C(F)(F)c3ccc(-c4ccccc4)cc3)nc2c1 | 10.1016/j.bmcl.2012.11.005 | |||
| 44287999 | 162487 | 0 | None | - | 0 | Human | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 471 | 11 | 4 | 3 | 3.2 | C[C@@H](NC(=O)C(CCCN=C(N)N)NC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1 | 10.1016/s0960-894x(00)00292-4 | |||
| CHEMBL41673 | 162487 | 0 | None | - | 0 | Human | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 471 | 11 | 4 | 3 | 3.2 | C[C@@H](NC(=O)C(CCCN=C(N)N)NC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1 | 10.1016/s0960-894x(00)00292-4 | |||
| 44312707 | 204947 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 461 | 7 | 2 | 6 | 4.8 | CNc1cc(-c2ccc(NS(=O)(=O)c3ccc(N(C)C)cc3)cc2)nn1-c1ccc(C)cc1 | 10.1016/s0960-894x(01)00448-6 | |||
| CHEMBL76411 | 204947 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 461 | 7 | 2 | 6 | 4.8 | CNc1cc(-c2ccc(NS(=O)(=O)c3ccc(N(C)C)cc3)cc2)nn1-c1ccc(C)cc1 | 10.1016/s0960-894x(01)00448-6 | |||
| 44580504 | 193180 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 333 | 2 | 1 | 4 | 3.2 | O=C1OC2(CCN(Cc3nc4ccccc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.018 | |||
| CHEMBL523235 | 193180 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 333 | 2 | 1 | 4 | 3.2 | O=C1OC2(CCN(Cc3nc4ccccc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.018 | |||
| 45481806 | 197852 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 460 | 2 | 1 | 5 | 3.8 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3nc4cc(Cl)ccc4o3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | |||
| CHEMBL572460 | 197852 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 460 | 2 | 1 | 5 | 3.8 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3nc4cc(Cl)ccc4o3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | |||
| 18004942 | 187516 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 420 | 2 | 2 | 3 | 2.9 | NS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccccc3Cl)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.02.035 | |||
| CHEMBL494346 | 187516 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 420 | 2 | 2 | 3 | 2.9 | NS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccccc3Cl)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.02.035 | |||
| 44460453 | 104175 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 431 | 4 | 1 | 6 | 3.7 | O=C([C@H]1CCCO1)N1CCC(CNc2nc3c(s2)CCOc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
| CHEMBL309685 | 104175 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 431 | 4 | 1 | 6 | 3.7 | O=C([C@H]1CCCO1)N1CCC(CNc2nc3c(s2)CCOc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
| 9867212 | 104895 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 427 | 4 | 1 | 6 | 3.9 | Cc1ccc2c(c1)-c1nc(NCC3CCN(C(=O)[C@H]4CCCO4)CC3)sc1CCO2 | 10.1016/j.bmcl.2004.03.014 | |||
| CHEMBL311229 | 104895 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 427 | 4 | 1 | 6 | 3.9 | Cc1ccc2c(c1)-c1nc(NCC3CCN(C(=O)[C@H]4CCCO4)CC3)sc1CCO2 | 10.1016/j.bmcl.2004.03.014 | |||
| 44461116 | 107136 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 399 | 4 | 1 | 5 | 4.4 | Cc1ccc2c(c1)-c1nc(NCC3CCN(C(=O)C(C)C)CC3)sc1CCO2 | 10.1016/j.bmcl.2004.03.014 | |||
| CHEMBL316153 | 107136 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 399 | 4 | 1 | 5 | 4.4 | Cc1ccc2c(c1)-c1nc(NCC3CCN(C(=O)C(C)C)CC3)sc1CCO2 | 10.1016/j.bmcl.2004.03.014 | |||
| 44460972 | 205392 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 413 | 4 | 1 | 4 | 5.0 | O=C1CCCN1[C@H]1CC[C@H](CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
| CHEMBL80003 | 205392 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 413 | 4 | 1 | 4 | 5.0 | O=C1CCCN1[C@H]1CC[C@H](CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
| 44344468 | 103439 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 468 | 9 | 3 | 4 | 4.7 | C=CCC1c2ccc(O)cc2CCC1NC[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1 | 10.1021/jm990468g | |||
| CHEMBL3084889 | 103439 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 468 | 9 | 3 | 4 | 4.7 | C=CCC1c2ccc(O)cc2CCC1NC[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1 | 10.1021/jm990468g | |||
| 44344599 | 110393 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 522 | 8 | 2 | 5 | 3.0 | O=C(CN1CC[C@H](NS(=O)(=O)c2ccccc2)C1)NC1CCc2cc(F)ccc2C1Cc1cccnc1 | 10.1021/jm990468g | |||
| CHEMBL324311 | 110393 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 522 | 8 | 2 | 5 | 3.0 | O=C(CN1CC[C@H](NS(=O)(=O)c2ccccc2)C1)NC1CCc2cc(F)ccc2C1Cc1cccnc1 | 10.1021/jm990468g | |||
| 11133371 | 205151 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 410 | 6 | 2 | 3 | 5.7 | C[C@H]([C@@H](O)c1ccccc1)N(C)C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1 | 10.1021/jm0004547 | |||
| CHEMBL78109 | 205151 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 410 | 6 | 2 | 3 | 5.7 | C[C@H]([C@@H](O)c1ccccc1)N(C)C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1 | 10.1021/jm0004547 | |||
| 44579887 | 193093 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 400 | 2 | 1 | 6 | 4.6 | Cc1nc(-c2ccc3[nH]c([C@H]4CC[C@@]5(CC4)OC(=O)c4ccccc45)nc3c2)no1 | 10.1016/j.bmcl.2008.08.021 | |||
| CHEMBL522589 | 193093 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 400 | 2 | 1 | 6 | 4.6 | Cc1nc(-c2ccc3[nH]c([C@H]4CC[C@@]5(CC4)OC(=O)c4ccccc45)nc3c2)no1 | 10.1016/j.bmcl.2008.08.021 | |||
| 11792636 | 29094 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 320 | 4 | 1 | 3 | 4.0 | Cc1nc(N2CCCCC2)c2nc(CCc3ccccc3)cc-2[nH]1 | 10.1021/jm000269t | |||
| CHEMBL138118 | 29094 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 320 | 4 | 1 | 3 | 4.0 | Cc1nc(N2CCCCC2)c2nc(CCc3ccccc3)cc-2[nH]1 | 10.1021/jm000269t | |||
| 45481799 | 198054 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 436 | 2 | 1 | 4 | 3.6 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3cnc4ccccc4c3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | |||
| CHEMBL574085 | 198054 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 436 | 2 | 1 | 4 | 3.6 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3cnc4ccccc4c3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | |||
| 46226606 | 201843 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 388 | 3 | 2 | 5 | 3.7 | O=C1O[C@]2(CC[C@H](C(=O)Nc3cc(-c4ccccc4)[nH]n3)CC2)c2cccnc21 | 10.1016/j.bmc.2009.08.019 | |||
| CHEMBL607088 | 201843 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 388 | 3 | 2 | 5 | 3.7 | O=C1O[C@]2(CC[C@H](C(=O)Nc3cc(-c4ccccc4)[nH]n3)CC2)c2cccnc21 | 10.1016/j.bmc.2009.08.019 | |||
| 9947469 | 187268 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 368 | 3 | 1 | 2 | 4.9 | Fc1ccc(C2(c3ccc(F)cc3)CNC(c3cccc(Cl)c3)=N2)cc1 | 10.1016/j.bmcl.2009.01.101 | |||
| CHEMBL492778 | 187268 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 368 | 3 | 1 | 2 | 4.9 | Fc1ccc(C2(c3ccc(F)cc3)CNC(c3cccc(Cl)c3)=N2)cc1 | 10.1016/j.bmcl.2009.01.101 | |||
| 23442561 | 67559 | 0 | None | - | 0 | Mouse | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 433 | 9 | 2 | 6 | 3.6 | Cc1ccccc1C(=O)c1cnc(NCCCNS(=O)(=O)c2cccc(F)c2)s1 | 10.1016/j.bmcl.2005.05.009 | |||
| CHEMBL189810 | 67559 | 0 | None | - | 0 | Mouse | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 433 | 9 | 2 | 6 | 3.6 | Cc1ccccc1C(=O)c1cnc(NCCCNS(=O)(=O)c2cccc(F)c2)s1 | 10.1016/j.bmcl.2005.05.009 | |||
| 22325333 | 184327 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 387 | 1 | 1 | 4 | 4.5 | O=C1OC2(CCN(c3nc4c(Cl)cc(Cl)cc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.018 | |||
| CHEMBL484268 | 184327 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 387 | 1 | 1 | 4 | 4.5 | O=C1OC2(CCN(c3nc4c(Cl)cc(Cl)cc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.018 | |||
| 9866472 | 187872 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 414 | 2 | 1 | 5 | 3.8 | O=C1Cc2ccccc2C2(CCN(C(=O)Nc3cnc(-c4ccccc4)cn3)CC2)O1 | 10.1016/j.bmcl.2009.05.013 | |||
| CHEMBL496393 | 187872 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 414 | 2 | 1 | 5 | 3.8 | O=C1Cc2ccccc2C2(CCN(C(=O)Nc3cnc(-c4ccccc4)cn3)CC2)O1 | 10.1016/j.bmcl.2009.05.013 | |||
| 22934124 | 161775 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 260 | 1 | 1 | 1 | 4.2 | c1ccc(-c2nc3c([nH]2)-c2ccccc2CCC3)cc1 | 10.1016/s0960-894x(02)00090-2 | |||
| CHEMBL414020 | 161775 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 260 | 1 | 1 | 1 | 4.2 | c1ccc(-c2nc3c([nH]2)-c2ccccc2CCC3)cc1 | 10.1016/s0960-894x(02)00090-2 | |||
| 25211875 | 192649 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 400 | 2 | 1 | 7 | 3.5 | Cn1nnc(-c2ccc3[nH]c([C@H]4CC[C@@]5(CC4)OC(=O)c4ccccc45)nc3c2)n1 | 10.1016/j.bmcl.2008.08.021 | |||
| CHEMBL521750 | 192649 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 400 | 2 | 1 | 7 | 3.5 | Cn1nnc(-c2ccc3[nH]c([C@H]4CC[C@@]5(CC4)OC(=O)c4ccccc45)nc3c2)n1 | 10.1016/j.bmcl.2008.08.021 | |||
| 10098098 | 12925 | 0 | None | - | 0 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 481 | 4 | 1 | 5 | 4.8 | Cc1cccc2c1N(C1CCN(CC(=O)Nc3ccc4c(c3)-c3ccccc3C4=O)CC1)C(=O)OC2 | 10.1021/jm049599u | |||
| CHEMBL1189130 | 12925 | 0 | None | - | 0 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 481 | 4 | 1 | 5 | 4.8 | Cc1cccc2c1N(C1CCN(CC(=O)Nc3ccc4c(c3)-c3ccccc3C4=O)CC1)C(=O)OC2 | 10.1021/jm049599u | |||
| CHEMBL538079 | 12925 | 0 | None | - | 0 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 481 | 4 | 1 | 5 | 4.8 | Cc1cccc2c1N(C1CCN(CC(=O)Nc3ccc4c(c3)-c3ccccc3C4=O)CC1)C(=O)OC2 | 10.1021/jm049599u | |||
| 9984570 | 13083 | 0 | None | - | 0 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 496 | 5 | 1 | 5 | 5.7 | CCn1c2ccccc2c2cc(NC(=O)CN3CCC(N4C(=O)OCc5cccc(C)c54)CC3)ccc21 | 10.1021/jm049599u | |||
| CHEMBL1190216 | 13083 | 0 | None | - | 0 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 496 | 5 | 1 | 5 | 5.7 | CCn1c2ccccc2c2cc(NC(=O)CN3CCC(N4C(=O)OCc5cccc(C)c54)CC3)ccc21 | 10.1021/jm049599u | |||
| CHEMBL540365 | 13083 | 0 | None | - | 0 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 496 | 5 | 1 | 5 | 5.7 | CCn1c2ccccc2c2cc(NC(=O)CN3CCC(N4C(=O)OCc5cccc(C)c54)CC3)ccc21 | 10.1021/jm049599u | |||
| 44580546 | 188133 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 337 | 1 | 1 | 4 | 3.4 | O=C1OC2(CCN(c3nc4c(F)cccc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.018 | |||
| CHEMBL498396 | 188133 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 337 | 1 | 1 | 4 | 3.4 | O=C1OC2(CCN(c3nc4c(F)cccc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.018 | |||
| 10981271 | 205108 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 360 | 6 | 1 | 2 | 5.6 | C[C@@H](Cc1ccccc1)N(C)C(=O)Nc1ccc(Oc2ccccc2)cc1 | 10.1021/jm0004547 | |||
| CHEMBL77719 | 205108 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 360 | 6 | 1 | 2 | 5.6 | C[C@@H](Cc1ccccc1)N(C)C(=O)Nc1ccc(Oc2ccccc2)cc1 | 10.1021/jm0004547 | |||
| 11068838 | 103580 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 376 | 6 | 2 | 3 | 5.1 | C[C@@H]([C@@H](O)c1ccccc1)N(C)C(=O)Nc1ccc(Oc2ccccc2)cc1 | 10.1021/jm0004547 | |||
| CHEMBL308625 | 103580 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 376 | 6 | 2 | 3 | 5.1 | C[C@@H]([C@@H](O)c1ccccc1)N(C)C(=O)Nc1ccc(Oc2ccccc2)cc1 | 10.1021/jm0004547 | |||
| 22325347 | 188085 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 353 | 1 | 1 | 4 | 3.9 | O=C1OC2(CCN(c3nc4c(Cl)cccc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.018 | |||
| CHEMBL497972 | 188085 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 353 | 1 | 1 | 4 | 3.9 | O=C1OC2(CCN(c3nc4c(Cl)cccc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.018 | |||
| 44573534 | 193079 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 364 | 4 | 1 | 3 | 4.3 | COc1cccc(C2=NC(c3ccc(F)cc3)(c3ccc(F)cc3)CN2)c1 | 10.1016/j.bmcl.2009.01.101 | |||
| CHEMBL522513 | 193079 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 364 | 4 | 1 | 3 | 4.3 | COc1cccc(C2=NC(c3ccc(F)cc3)(c3ccc(F)cc3)CN2)c1 | 10.1016/j.bmcl.2009.01.101 | |||
| 10640471 | 29157 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 334 | 3 | 1 | 4 | 4.1 | CC(=O)c1c(-c2ccccc2)[nH]c2c(N3CCCCC3)nc(C)nc12 | 10.1021/jm000269t | |||
| CHEMBL138172 | 29157 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 334 | 3 | 1 | 4 | 4.1 | CC(=O)c1c(-c2ccccc2)[nH]c2c(N3CCCCC3)nc(C)nc12 | 10.1021/jm000269t | |||
| 9905079 | 28524 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 4.1 | Cc1nc2cc(-c3ccccc3)nc-2c(N(C)Cc2ccco2)[nH]1 | 10.1021/jm000269t | |||
| CHEMBL137613 | 28524 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 4.1 | Cc1nc2cc(-c3ccccc3)nc-2c(N(C)Cc2ccco2)[nH]1 | 10.1021/jm000269t | |||
| 44263876 | 97011 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 276 | 2 | 1 | 2 | 3.9 | COc1ccc2c(c1)-c1nc(-c3ccccc3)[nH]c1CC2 | 10.1016/s0960-894x(02)00090-2 | |||
| CHEMBL266637 | 97011 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 276 | 2 | 1 | 2 | 3.9 | COc1ccc2c(c1)-c1nc(-c3ccccc3)[nH]c1CC2 | 10.1016/s0960-894x(02)00090-2 | |||
| 44377691 | 57146 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 506 | 8 | 3 | 5 | 4.0 | Nc1ccc2c(c1)CC(NCC1CCN(CCNS(=O)(=O)c3cccc4ccccc34)CC1)CCC2 | 10.1016/s0960-894x(02)00002-1 | |||
| CHEMBL164586 | 57146 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 506 | 8 | 3 | 5 | 4.0 | Nc1ccc2c(c1)CC(NCC1CCN(CCNS(=O)(=O)c3cccc4ccccc34)CC1)CCC2 | 10.1016/s0960-894x(02)00002-1 | |||
| 9871208 | 178684 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 516 | 7 | 2 | 5 | 4.2 | O=C(CN1CCC(NC(=O)Oc2ccccc2)CC1)NC1CCc2cc(F)ccc2C1Cc1cccnc1 | 10.1016/s0960-894x(00)00311-5 | |||
| CHEMBL46799 | 178684 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 516 | 7 | 2 | 5 | 4.2 | O=C(CN1CCC(NC(=O)Oc2ccccc2)CC1)NC1CCc2cc(F)ccc2C1Cc1cccnc1 | 10.1016/s0960-894x(00)00311-5 | |||
| 44313224 | 103026 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 379 | 3 | 1 | 3 | 5.1 | Cc1cc(C(=O)Nc2cccc(Cl)c2)nn1-c1cccc(C(F)(F)F)c1 | 10.1016/s0960-894x(01)00449-8 | |||
| CHEMBL306993 | 103026 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 379 | 3 | 1 | 3 | 5.1 | Cc1cc(C(=O)Nc2cccc(Cl)c2)nn1-c1cccc(C(F)(F)F)c1 | 10.1016/s0960-894x(01)00449-8 | |||
| 10572176 | 28180 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 349 | 4 | 1 | 4 | 3.8 | Cc1nc2cc(-c3ccccc3)nc-2c(N2CCCCC2CN(C)C)[nH]1 | 10.1021/jm000269t | |||
| CHEMBL137356 | 28180 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 349 | 4 | 1 | 4 | 3.8 | Cc1nc2cc(-c3ccccc3)nc-2c(N2CCCCC2CN(C)C)[nH]1 | 10.1021/jm000269t | |||
| 10688707 | 28283 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 306 | 2 | 1 | 3 | 4.2 | Cc1nc(N2CCCCC2)c2[nH]c(-c3ccccc3)c(C)c2n1 | 10.1021/jm000269t | |||
| CHEMBL137427 | 28283 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 306 | 2 | 1 | 3 | 4.2 | Cc1nc(N2CCCCC2)c2[nH]c(-c3ccccc3)c(C)c2n1 | 10.1021/jm000269t | |||
| 9889267 | 98878 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 436 | 4 | 1 | 7 | 3.1 | O=C(Nc1nccs1)C1CCN(C(=O)Cn2c(=O)sc3ccc(Cl)cc32)CC1 | 10.1016/s0960-894x(02)00018-5 | |||
| CHEMBL279073 | 98878 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 436 | 4 | 1 | 7 | 3.1 | O=C(Nc1nccs1)C1CCN(C(=O)Cn2c(=O)sc3ccc(Cl)cc32)CC1 | 10.1016/s0960-894x(02)00018-5 | |||
| 44344283 | 12952 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 507 | 13 | 2 | 5 | 4.9 | COc1ccc2c(c1)CCC(NCCCCCCNS(=O)(=O)c1ccccc1)C2Cc1cccnc1 | 10.1021/jm990468g | |||
| CHEMBL118931 | 12952 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 507 | 13 | 2 | 5 | 4.9 | COc1ccc2c(c1)CCC(NCCCCCCNS(=O)(=O)c1ccccc1)C2Cc1cccnc1 | 10.1021/jm990468g | |||
| 9889267 | 98878 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 436 | 4 | 1 | 7 | 3.1 | O=C(Nc1nccs1)C1CCN(C(=O)Cn2c(=O)sc3ccc(Cl)cc32)CC1 | 10.1016/s0960-894x(02)00113-0 | |||
| CHEMBL279073 | 98878 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 436 | 4 | 1 | 7 | 3.1 | O=C(Nc1nccs1)C1CCN(C(=O)Cn2c(=O)sc3ccc(Cl)cc32)CC1 | 10.1016/s0960-894x(02)00113-0 | |||
| 136058109 | 102155 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 485 | 6 | 2 | 4 | 4.9 | O=S(=O)(NC[C@H]1CC[C@H](CNC2=NC3CCc4cc(Cl)ccc4C3C2)CC1)c1ccccc1 | 10.1016/s0960-894x(99)00676-9 | |||
| CHEMBL302584 | 102155 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 485 | 6 | 2 | 4 | 4.9 | O=S(=O)(NC[C@H]1CC[C@H](CNC2=NC3CCc4cc(Cl)ccc4C3C2)CC1)c1ccccc1 | 10.1016/s0960-894x(99)00676-9 | |||
| 22054806 | 187454 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 298 | 3 | 1 | 2 | 4.0 | c1ccc(C2=NC(c3ccccc3)(c3ccccc3)CN2)cc1 | 10.1016/j.bmcl.2009.01.101 | |||
| CHEMBL493970 | 187454 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 298 | 3 | 1 | 2 | 4.0 | c1ccc(C2=NC(c3ccccc3)(c3ccccc3)CN2)cc1 | 10.1016/j.bmcl.2009.01.101 | |||
| 9902517 | 187493 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 340 | 3 | 1 | 3 | 4.3 | Fc1ccc(C2(c3ccc(F)cc3)CNC(c3cccs3)=N2)cc1 | 10.1016/j.bmcl.2009.01.101 | |||
| CHEMBL494175 | 187493 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 340 | 3 | 1 | 3 | 4.3 | Fc1ccc(C2(c3ccc(F)cc3)CNC(c3cccs3)=N2)cc1 | 10.1016/j.bmcl.2009.01.101 | |||
| 10437616 | 60511 | 0 | None | - | 0 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 516 | 5 | 1 | 5 | 6.0 | CCn1c2ccccc2c2cc(NC(=O)CN3CCC(N4C(=O)OCc5c(Cl)cccc54)CC3)ccc21 | 10.1021/jm049599u | |||
| CHEMBL175657 | 60511 | 0 | None | - | 0 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 516 | 5 | 1 | 5 | 6.0 | CCn1c2ccccc2c2cc(NC(=O)CN3CCC(N4C(=O)OCc5c(Cl)cccc54)CC3)ccc21 | 10.1021/jm049599u | |||
| CHEMBL557817 | 60511 | 0 | None | - | 0 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 516 | 5 | 1 | 5 | 6.0 | CCn1c2ccccc2c2cc(NC(=O)CN3CCC(N4C(=O)OCc5c(Cl)cccc54)CC3)ccc21 | 10.1021/jm049599u | |||
| 10590336 | 119407 | 1 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 300 | 3 | 2 | 3 | 4.7 | Cc1nc(Nc2ccccc2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | |||
| CHEMBL344692 | 119407 | 1 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 300 | 3 | 2 | 3 | 4.7 | Cc1nc(Nc2ccccc2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | |||
| 10518886 | 119423 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 308 | 3 | 1 | 4 | 3.6 | COc1nc(N2CCCCC2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | |||
| CHEMBL344844 | 119423 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 308 | 3 | 1 | 4 | 3.6 | COc1nc(N2CCCCC2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | |||
| 44377722 | 57195 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 535 | 10 | 2 | 5 | 4.6 | COc1ccc2c(c1)CC(CNCCN1CCC(CNS(=O)(=O)c3cccc4ccccc34)CC1)CCC2 | 10.1016/s0960-894x(02)00002-1 | |||
| CHEMBL164971 | 57195 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 535 | 10 | 2 | 5 | 4.6 | COc1ccc2c(c1)CC(CNCCN1CCC(CNS(=O)(=O)c3cccc4ccccc34)CC1)CCC2 | 10.1016/s0960-894x(02)00002-1 | |||
| 10254802 | 127225 | 0 | None | - | 0 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 485 | 5 | 1 | 6 | 5.2 | COc1cccc2c1N(C1CCN(CC(=O)Nc3ccc4oc5ccccc5c4c3)CC1)C(=O)OC2 | 10.1021/jm049599u | |||
| CHEMBL365777 | 127225 | 0 | None | - | 0 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 485 | 5 | 1 | 6 | 5.2 | COc1cccc2c1N(C1CCN(CC(=O)Nc3ccc4oc5ccccc5c4c3)CC1)C(=O)OC2 | 10.1021/jm049599u | |||
| 44580748 | 187891 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 412 | 3 | 2 | 6 | 2.6 | CS(=O)(=O)Nc1ccc2[nH]c(N3CCC4(CC3)OC(=O)c3ccccc34)nc2c1 | 10.1016/j.bmcl.2008.08.018 | |||
| CHEMBL496537 | 187891 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 412 | 3 | 2 | 6 | 2.6 | CS(=O)(=O)Nc1ccc2[nH]c(N3CCC4(CC3)OC(=O)c3ccccc34)nc2c1 | 10.1016/j.bmcl.2008.08.018 | |||
| 44379364 | 58117 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 551 | 10 | 3 | 6 | 3.7 | COc1ccc2c(c1)CC(O)(CNCC1CCN(CCNS(=O)(=O)c3cccc4ccccc34)CC1)CCC2 | 10.1016/s0960-894x(02)00018-5 | |||
| CHEMBL167621 | 58117 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 551 | 10 | 3 | 6 | 3.7 | COc1ccc2c(c1)CC(O)(CNCC1CCN(CCNS(=O)(=O)c3cccc4ccccc34)CC1)CCC2 | 10.1016/s0960-894x(02)00018-5 | |||
| 10639971 | 28639 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 291 | 2 | 1 | 3 | 4.7 | Cc1nc(-c2ccsc2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | |||
| CHEMBL137724 | 28639 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 291 | 2 | 1 | 3 | 4.7 | Cc1nc(-c2ccsc2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | |||
| 9880873 | 193195 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 336 | 3 | 1 | 4 | 3.0 | Fc1ccc(C2(c3ccc(F)cc3)CNC(c3cccnn3)=N2)cc1 | 10.1016/j.bmcl.2009.01.101 | |||
| CHEMBL523338 | 193195 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 336 | 3 | 1 | 4 | 3.0 | Fc1ccc(C2(c3ccc(F)cc3)CNC(c3cccnn3)=N2)cc1 | 10.1016/j.bmcl.2009.01.101 | |||
| 44390385 | 122516 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 565 | 9 | 2 | 6 | 6.4 | CN(C)c1nc(NCC2CCC(CNCc3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 | 10.1016/j.bmcl.2005.05.121 | |||
| CHEMBL360117 | 122516 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 565 | 9 | 2 | 6 | 6.4 | CN(C)c1nc(NCC2CCC(CNCc3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 | 10.1016/j.bmcl.2005.05.121 | |||
| 10685661 | 119186 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 264 | 2 | 1 | 3 | 3.1 | Cc1nc(N2CCC2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | |||
| CHEMBL343153 | 119186 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 264 | 2 | 1 | 3 | 3.1 | Cc1nc(N2CCC2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | |||
| 136058112 | 203731 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 481 | 7 | 2 | 5 | 4.3 | COc1ccc2c(c1)CCC1N=C(NC[C@H]3CC[C@H](CNS(=O)(=O)c4ccccc4)CC3)CC21 | 10.1016/s0960-894x(99)00676-9 | |||
| CHEMBL67768 | 203731 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 481 | 7 | 2 | 5 | 4.3 | COc1ccc2c(c1)CCC1N=C(NC[C@H]3CC[C@H](CNS(=O)(=O)c4ccccc4)CC3)CC21 | 10.1016/s0960-894x(99)00676-9 | |||
| 44263987 | 204318 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 250 | 1 | 2 | 2 | 3.0 | c1ccc2c(c1)CCCc1nc(-c3c[nH]cn3)[nH]c1-2 | 10.1016/s0960-894x(02)00090-2 | |||
| CHEMBL7147 | 204318 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 250 | 1 | 2 | 2 | 3.0 | c1ccc2c(c1)CCCc1nc(-c3c[nH]cn3)[nH]c1-2 | 10.1016/s0960-894x(02)00090-2 | |||
| 44313495 | 204813 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 359 | 3 | 1 | 3 | 4.8 | Cc1ccccc1NC(=O)c1cc(C)n(-c2cccc(C(F)(F)F)c2)n1 | 10.1016/s0960-894x(01)00449-8 | |||
| CHEMBL75163 | 204813 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 359 | 3 | 1 | 3 | 4.8 | Cc1ccccc1NC(=O)c1cc(C)n(-c2cccc(C(F)(F)F)c2)n1 | 10.1016/s0960-894x(01)00449-8 | |||
| 70695121 | 76916 | 0 | None | - | 0 | Mouse | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 393 | 5 | 1 | 5 | 3.6 | CCCS(=O)(=O)c1ccc2[nH]c(-c3cn(-c4ccccc4)ccc3=O)nc2c1 | 10.1016/j.bmcl.2012.07.020 | |||
| CHEMBL2070162 | 76916 | 0 | None | - | 0 | Mouse | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 393 | 5 | 1 | 5 | 3.6 | CCCS(=O)(=O)c1ccc2[nH]c(-c3cn(-c4ccccc4)ccc3=O)nc2c1 | 10.1016/j.bmcl.2012.07.020 | |||
| 44580746 | 188059 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 390 | 2 | 1 | 5 | 2.9 | CN(C)C(=O)c1ccc2[nH]c(N3CCC4(CC3)OC(=O)c3ccccc34)nc2c1 | 10.1016/j.bmcl.2008.08.018 | |||
| CHEMBL497785 | 188059 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 390 | 2 | 1 | 5 | 2.9 | CN(C)C(=O)c1ccc2[nH]c(N3CCC4(CC3)OC(=O)c3ccccc34)nc2c1 | 10.1016/j.bmcl.2008.08.018 | |||
| 10714258 | 119278 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 370 | 2 | 1 | 3 | 4.7 | Cc1nc(N2CCCCC2)c2[nH]c(-c3ccccc3)c(Br)c2n1 | 10.1021/jm000269t | |||
| CHEMBL343766 | 119278 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 370 | 2 | 1 | 3 | 4.7 | Cc1nc(N2CCCCC2)c2[nH]c(-c3ccccc3)c(Br)c2n1 | 10.1021/jm000269t | |||
| 2821670 | 168456 | 2 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 337 | 3 | 2 | 2 | 4.1 | O=C(Nc1cc(-c2ccc(Cl)cc2)n[nH]1)C1Cc2ccccc2C1 | 10.1016/j.bmcl.2009.02.035 | |||
| CHEMBL435036 | 168456 | 2 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 337 | 3 | 2 | 2 | 4.1 | O=C(Nc1cc(-c2ccc(Cl)cc2)n[nH]1)C1Cc2ccccc2C1 | 10.1016/j.bmcl.2009.02.035 | |||
| 44573533 | 187463 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 364 | 4 | 2 | 3 | 3.8 | OCc1cccc(C2=NC(c3ccc(F)cc3)(c3ccc(F)cc3)CN2)c1 | 10.1016/j.bmcl.2009.01.101 | |||
| CHEMBL493998 | 187463 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 364 | 4 | 2 | 3 | 3.8 | OCc1cccc(C2=NC(c3ccc(F)cc3)(c3ccc(F)cc3)CN2)c1 | 10.1016/j.bmcl.2009.01.101 | |||
| 10833804 | 119142 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 346 | 2 | 1 | 3 | 4.6 | FC(F)(F)c1nc(N2CCCCC2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | |||
| CHEMBL342818 | 119142 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 346 | 2 | 1 | 3 | 4.6 | FC(F)(F)c1nc(N2CCCCC2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | |||
| 44460907 | 104366 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 427 | 6 | 2 | 4 | 5.3 | O=C(CC1CC1)N[C@H]1CC[C@H](CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
| CHEMBL310119 | 104366 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 427 | 6 | 2 | 4 | 5.3 | O=C(CC1CC1)N[C@H]1CC[C@H](CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
| 44461208 | 104745 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 442 | 7 | 2 | 5 | 4.1 | O=C(CNCC1CC1)N1CCC(CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
| CHEMBL310674 | 104745 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 442 | 7 | 2 | 5 | 4.1 | O=C(CNCC1CC1)N1CCC(CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
| 44460957 | 205308 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 458 | 8 | 2 | 5 | 4.9 | CCCN(C)CC(=O)N[C@H]1CC[C@H](CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
| CHEMBL79308 | 205308 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 458 | 8 | 2 | 5 | 4.9 | CCCN(C)CC(=O)N[C@H]1CC[C@H](CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
| 44461198 | 205346 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 429 | 7 | 2 | 4 | 5.7 | CCCCC(=O)N[C@H]1CC[C@H](CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
| CHEMBL79659 | 205346 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 429 | 7 | 2 | 4 | 5.7 | CCCCC(=O)N[C@H]1CC[C@H](CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
| 44461210 | 205347 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 472 | 7 | 2 | 6 | 3.9 | O=C(CNCC1CCCO1)N1CCC(CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
| CHEMBL79663 | 205347 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 472 | 7 | 2 | 6 | 3.9 | O=C(CNCC1CCCO1)N1CCC(CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
| 44460963 | 205554 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 438 | 5 | 1 | 5 | 4.4 | O=C(CN1CCCCC1)N1CCC(CNc2nc3c(s2)CCCc2ccccc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
| CHEMBL81104 | 205554 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 438 | 5 | 1 | 5 | 4.4 | O=C(CN1CCCCC1)N1CCC(CNc2nc3c(s2)CCCc2ccccc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
| 44461179 | 205657 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 413 | 5 | 2 | 4 | 4.9 | O=C(N[C@H]1CC[C@H](CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1)C1CC1 | 10.1016/j.bmcl.2004.03.014 | |||
| CHEMBL81982 | 205657 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 413 | 5 | 2 | 4 | 4.9 | O=C(N[C@H]1CC[C@H](CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1)C1CC1 | 10.1016/j.bmcl.2004.03.014 | |||
| 10295464 | 205701 | 0 | None | - | 0 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 417 | 6 | 1 | 5 | 4.7 | CCCCC(=O)N1CCC(CNc2nc3c(s2)CCOc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
| CHEMBL82374 | 205701 | 0 | None | - | 0 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 417 | 6 | 1 | 5 | 4.7 | CCCCC(=O)N1CCC(CNc2nc3c(s2)CCOc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
| 9827743 | 166385 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 511 | 6 | 3 | 7 | 3.9 | O=C(CN1CCC(n2c(O)nc3ccccc32)CC1)NC1CCc2cc(O)ccc2C1Cc1cccnc1 | 10.1016/s0960-894x(00)00311-5 | |||
| CHEMBL42762 | 166385 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 511 | 6 | 3 | 7 | 3.9 | O=C(CN1CCC(n2c(O)nc3ccccc32)CC1)NC1CCc2cc(O)ccc2C1Cc1cccnc1 | 10.1016/s0960-894x(00)00311-5 | |||
| 9955865 | 123678 | 0 | None | - | 0 | Mouse | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 459 | 10 | 2 | 7 | 3.8 | COc1ccc(C)cc1S(=O)(=O)NCCCNc1nc(C(=O)c2ccccc2C)cs1 | 10.1016/j.bmcl.2005.05.009 | |||
| CHEMBL362131 | 123678 | 0 | None | - | 0 | Mouse | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 459 | 10 | 2 | 7 | 3.8 | COc1ccc(C)cc1S(=O)(=O)NCCCNc1nc(C(=O)c2ccccc2C)cs1 | 10.1016/j.bmcl.2005.05.009 | |||
| 45481810 | 198535 | 1 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 436 | 2 | 1 | 4 | 3.6 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc4ccccc4n3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | |||
| CHEMBL578013 | 198535 | 1 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 436 | 2 | 1 | 4 | 3.6 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc4ccccc4n3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | |||
| 44583507 | 188071 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 400 | 2 | 1 | 5 | 3.8 | O=C1OC2(CCN(C(=O)Nc3ccc(-c4ccccc4)nn3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | |||
| CHEMBL497839 | 188071 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 400 | 2 | 1 | 5 | 3.8 | O=C1OC2(CCN(C(=O)Nc3ccc(-c4ccccc4)nn3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | |||
| 44271231 | 60428 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 536 | 7 | 2 | 7 | 2.0 | NS(=O)(=O)c1ccc(CCNC(=O)C2CCN(C(=O)Cn3c(=O)sc4ccc(Cl)cc43)CC2)cc1 | 10.1016/s0960-894x(02)00113-0 | |||
| CHEMBL17513 | 60428 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 536 | 7 | 2 | 7 | 2.0 | NS(=O)(=O)c1ccc(CCNC(=O)C2CCN(C(=O)Cn3c(=O)sc4ccc(Cl)cc43)CC2)cc1 | 10.1016/s0960-894x(02)00113-0 | |||
| 10294504 | 187211 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 402 | 3 | 1 | 2 | 5.3 | Fc1ccc(C2(c3ccc(F)cc3)CNC(c3cccc(C(F)(F)F)c3)=N2)cc1 | 10.1016/j.bmcl.2009.01.101 | |||
| CHEMBL492388 | 187211 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 402 | 3 | 1 | 2 | 5.3 | Fc1ccc(C2(c3ccc(F)cc3)CNC(c3cccc(C(F)(F)F)c3)=N2)cc1 | 10.1016/j.bmcl.2009.01.101 | |||
| 22934136 | 167108 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 291 | 2 | 1 | 3 | 3.6 | COc1ccc2c(c1)-c1nc(-c3cccnc3)[nH]c1CCC2 | 10.1016/s0960-894x(02)00090-2 | |||
| CHEMBL429006 | 167108 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 291 | 2 | 1 | 3 | 3.6 | COc1ccc2c(c1)-c1nc(-c3cccnc3)[nH]c1CCC2 | 10.1016/s0960-894x(02)00090-2 | |||
| 70684601 | 76895 | 0 | None | - | 0 | Mouse | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 376 | 5 | 1 | 3 | 5.1 | CCCS(=O)(=O)c1ccc2[nH]c(-c3ccc(-c4ccccc4)cc3)nc2c1 | 10.1016/j.bmcl.2012.07.020 | |||
| CHEMBL2070141 | 76895 | 0 | None | - | 0 | Mouse | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 376 | 5 | 1 | 3 | 5.1 | CCCS(=O)(=O)c1ccc2[nH]c(-c3ccc(-c4ccccc4)cc3)nc2c1 | 10.1016/j.bmcl.2012.07.020 | |||
| 22934142 | 204326 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 275 | 1 | 1 | 2 | 3.9 | Cc1ccc2c(c1)-c1nc(-c3ccncc3)[nH]c1CCC2 | 10.1016/s0960-894x(02)00090-2 | |||
| CHEMBL7149 | 204326 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 275 | 1 | 1 | 2 | 3.9 | Cc1ccc2c(c1)-c1nc(-c3ccncc3)[nH]c1CCC2 | 10.1016/s0960-894x(02)00090-2 | |||
| 22934118 | 204665 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 279 | 1 | 1 | 2 | 3.8 | Fc1ccc2c(c1)-c1nc(-c3cccnc3)[nH]c1CCC2 | 10.1016/s0960-894x(02)00090-2 | |||
| CHEMBL7370 | 204665 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 279 | 1 | 1 | 2 | 3.8 | Fc1ccc2c(c1)-c1nc(-c3cccnc3)[nH]c1CCC2 | 10.1016/s0960-894x(02)00090-2 | |||
| 9885994 | 205098 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 376 | 6 | 2 | 3 | 5.1 | C[C@H]([C@@H](O)c1ccccc1)N(C)C(=O)Nc1ccc(Oc2ccccc2)cc1 | 10.1021/jm0004547 | |||
| CHEMBL77639 | 205098 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 376 | 6 | 2 | 3 | 5.1 | C[C@H]([C@@H](O)c1ccccc1)N(C)C(=O)Nc1ccc(Oc2ccccc2)cc1 | 10.1021/jm0004547 | |||
| 22325336 | 188958 | 1 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 353 | 1 | 1 | 4 | 3.9 | O=C1OC2(CCN(c3nc4cc(Cl)ccc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.018 | |||
| CHEMBL508271 | 188958 | 1 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 353 | 1 | 1 | 4 | 3.9 | O=C1OC2(CCN(c3nc4cc(Cl)ccc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.018 | |||
| 44580100 | 186923 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 371 | 1 | 1 | 4 | 4.0 | O=C1OC2(CCN(c3nc4cc(Cl)c(F)cc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.018 | |||
| CHEMBL490008 | 186923 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 371 | 1 | 1 | 4 | 4.0 | O=C1OC2(CCN(c3nc4cc(Cl)c(F)cc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.018 | |||
| 71454969 | 81338 | 0 | None | - | 0 | Mouse | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 384 | 5 | 2 | 5 | 2.9 | CCCS(=O)(=O)c1ccc2[nH]c(N3CCNC(c4ccccc4)C3)nc2c1 | 10.1016/j.bmcl.2012.09.025 | |||
| CHEMBL2159157 | 81338 | 0 | None | - | 0 | Mouse | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 384 | 5 | 2 | 5 | 2.9 | CCCS(=O)(=O)c1ccc2[nH]c(N3CCNC(c4ccccc4)C3)nc2c1 | 10.1016/j.bmcl.2012.09.025 | |||
| 9825755 | 203494 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 465 | 5 | 2 | 4 | 3.8 | O=C(NC1=NC2CCc3ccccc3C2C1)[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1 | 10.1016/s0960-894x(99)00676-9 | |||
| CHEMBL66168 | 203494 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 465 | 5 | 2 | 4 | 3.8 | O=C(NC1=NC2CCc3ccccc3C2C1)[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1 | 10.1016/s0960-894x(99)00676-9 | |||
| 10459583 | 12901 | 0 | None | - | 0 | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 491 | 6 | 1 | 5 | 5.7 | O=C(CN1CCC(N2C(=O)OCc3cc(Cl)ccc32)CC1)Nc1ccc(Oc2ccccc2)cc1 | 10.1021/jm049599u | |||
| CHEMBL1188975 | 12901 | 0 | None | - | 0 | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 491 | 6 | 1 | 5 | 5.7 | O=C(CN1CCC(N2C(=O)OCc3cc(Cl)ccc32)CC1)Nc1ccc(Oc2ccccc2)cc1 | 10.1021/jm049599u | |||
| CHEMBL537858 | 12901 | 0 | None | - | 0 | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 491 | 6 | 1 | 5 | 5.7 | O=C(CN1CCC(N2C(=O)OCc3cc(Cl)ccc32)CC1)Nc1ccc(Oc2ccccc2)cc1 | 10.1021/jm049599u | |||
| 10571295 | 119152 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 335 | 2 | 1 | 4 | 2.6 | CC(=O)N1CCN(c2[nH]c(C)nc3cc(-c4ccccc4)nc2-3)CC1 | 10.1021/jm000269t | |||
| CHEMBL342918 | 119152 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 335 | 2 | 1 | 4 | 2.6 | CC(=O)N1CCN(c2[nH]c(C)nc3cc(-c4ccccc4)nc2-3)CC1 | 10.1021/jm000269t | |||
| 71519333 | 86178 | 0 | None | - | 0 | Mouse | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 402 | 5 | 1 | 3 | 5.1 | CCS(=O)(=O)c1ccc2[nH]c(C3(c4ccc(-c5ccccc5)cc4)CC3)nc2c1 | 10.1016/j.bmcl.2012.11.005 | |||
| CHEMBL2312081 | 86178 | 0 | None | - | 0 | Mouse | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 402 | 5 | 1 | 3 | 5.1 | CCS(=O)(=O)c1ccc2[nH]c(C3(c4ccc(-c5ccccc5)cc4)CC3)nc2c1 | 10.1016/j.bmcl.2012.11.005 | |||
| 70697152 | 76899 | 0 | None | - | 0 | Mouse | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 375 | 5 | 1 | 2 | 5.7 | CCCS(=O)(=O)c1ccc2cc(-c3cccc(-c4ccccc4)c3)[nH]c2c1 | 10.1016/j.bmcl.2012.07.020 | |||
| CHEMBL2070145 | 76899 | 0 | None | - | 0 | Mouse | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 375 | 5 | 1 | 2 | 5.7 | CCCS(=O)(=O)c1ccc2cc(-c3cccc(-c4ccccc4)c3)[nH]c2c1 | 10.1016/j.bmcl.2012.07.020 | |||
| 44461116 | 107136 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 399 | 4 | 1 | 5 | 4.4 | Cc1ccc2c(c1)-c1nc(NCC3CCN(C(=O)C(C)C)CC3)sc1CCO2 | 10.1016/j.bmcl.2004.03.014 | |||
| CHEMBL316153 | 107136 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 399 | 4 | 1 | 5 | 4.4 | Cc1ccc2c(c1)-c1nc(NCC3CCN(C(=O)C(C)C)CC3)sc1CCO2 | 10.1016/j.bmcl.2004.03.014 | |||
| 44264067 | 204039 | 1 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 262 | 1 | 1 | 2 | 3.7 | c1ccc(-c2nc3c([nH]2)CCOc2ccccc2-3)cc1 | 10.1016/s0960-894x(02)00090-2 | |||
| CHEMBL6985 | 204039 | 1 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 262 | 1 | 1 | 2 | 3.7 | c1ccc(-c2nc3c([nH]2)CCOc2ccccc2-3)cc1 | 10.1016/s0960-894x(02)00090-2 | |||
| 44313510 | 103805 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 359 | 3 | 1 | 3 | 4.8 | Cc1cccc(NC(=O)c2cc(C)n(-c3cccc(C(F)(F)F)c3)n2)c1 | 10.1016/s0960-894x(01)00449-8 | |||
| CHEMBL309055 | 103805 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 359 | 3 | 1 | 3 | 4.8 | Cc1cccc(NC(=O)c2cc(C)n(-c3cccc(C(F)(F)F)c3)n2)c1 | 10.1016/s0960-894x(01)00449-8 | |||
| 44312968 | 204880 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 472 | 5 | 2 | 5 | 5.3 | Cc1ccc(-n2nc(-c3ccc(NS(=O)(=O)c4ccc(C(F)(F)F)cc4)cc3)cc2N)cc1 | 10.1016/s0960-894x(01)00448-6 | |||
| CHEMBL75827 | 204880 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 472 | 5 | 2 | 5 | 5.3 | Cc1ccc(-n2nc(-c3ccc(NS(=O)(=O)c4ccc(C(F)(F)F)cc4)cc3)cc2N)cc1 | 10.1016/s0960-894x(01)00448-6 | |||
| 9998721 | 64375 | 0 | None | - | 0 | Mouse | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 362 | 4 | 1 | 4 | 5.4 | Cc1ccccc1C(=O)c1cnc(Nc2cccc(C(F)(F)F)c2)s1 | 10.1016/j.bmcl.2005.01.063 | |||
| CHEMBL181304 | 64375 | 0 | None | - | 0 | Mouse | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 362 | 4 | 1 | 4 | 5.4 | Cc1ccccc1C(=O)c1cnc(Nc2cccc(C(F)(F)F)c2)s1 | 10.1016/j.bmcl.2005.01.063 | |||
| 44573408 | 192657 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 368 | 3 | 1 | 2 | 4.9 | Fc1ccc(C2(c3ccc(F)cc3)CNC(c3ccccc3Cl)=N2)cc1 | 10.1016/j.bmcl.2009.01.101 | |||
| CHEMBL521844 | 192657 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 368 | 3 | 1 | 2 | 4.9 | Fc1ccc(C2(c3ccc(F)cc3)CNC(c3ccccc3Cl)=N2)cc1 | 10.1016/j.bmcl.2009.01.101 | |||
| 23442539 | 124084 | 0 | None | - | 0 | Mouse | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 433 | 9 | 2 | 6 | 3.6 | Cc1ccccc1C(=O)c1csc(NCCCNS(=O)(=O)c2cccc(F)c2)n1 | 10.1016/j.bmcl.2005.05.009 | |||
| CHEMBL363279 | 124084 | 0 | None | - | 0 | Mouse | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 433 | 9 | 2 | 6 | 3.6 | Cc1ccccc1C(=O)c1csc(NCCCNS(=O)(=O)c2cccc(F)c2)n1 | 10.1016/j.bmcl.2005.05.009 | |||
| 10589936 | 28023 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 258 | 3 | 1 | 3 | 3.2 | CCCc1cc2[nH]c(C)nc(N3CCCCC3)c-2n1 | 10.1021/jm000269t | |||
| CHEMBL137258 | 28023 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 258 | 3 | 1 | 3 | 3.2 | CCCc1cc2[nH]c(C)nc(N3CCCCC3)c-2n1 | 10.1021/jm000269t | |||
| 44377731 | 57442 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 507 | 8 | 2 | 5 | 4.1 | COc1ccc2c(c1)CC(NC1CCN(CCNS(=O)(=O)c3cccc4ccccc34)CC1)CCC2 | 10.1016/s0960-894x(02)00002-1 | |||
| CHEMBL165506 | 57442 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 507 | 8 | 2 | 5 | 4.1 | COc1ccc2c(c1)CC(NC1CCN(CCNS(=O)(=O)c3cccc4ccccc34)CC1)CCC2 | 10.1016/s0960-894x(02)00002-1 | |||
| 44379411 | 120467 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 523 | 10 | 3 | 6 | 3.3 | COc1ccc2c(c1)C(O)(CNCC1CCN(CCNS(=O)(=O)c3cccc4ccccc34)CC1)CC2 | 10.1016/s0960-894x(02)00018-5 | |||
| CHEMBL354111 | 120467 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 523 | 10 | 3 | 6 | 3.3 | COc1ccc2c(c1)C(O)(CNCC1CCN(CCNS(=O)(=O)c3cccc4ccccc34)CC1)CC2 | 10.1016/s0960-894x(02)00018-5 | |||
| 10808680 | 28078 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 326 | 2 | 1 | 3 | 4.6 | Cc1nc(N2CCCCC2)c2[nH]c(-c3ccccc3Cl)cc2n1 | 10.1021/jm000269t | |||
| CHEMBL137290 | 28078 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 326 | 2 | 1 | 3 | 4.6 | Cc1nc(N2CCCCC2)c2[nH]c(-c3ccccc3Cl)cc2n1 | 10.1021/jm000269t | |||
| 44312956 | 103167 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 488 | 6 | 2 | 6 | 5.1 | Cc1ccc(-n2nc(-c3ccc(NS(=O)(=O)c4ccc(OC(F)(F)F)cc4)cc3)cc2N)cc1 | 10.1016/s0960-894x(01)00448-6 | |||
| CHEMBL308110 | 103167 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 488 | 6 | 2 | 6 | 5.1 | Cc1ccc(-n2nc(-c3ccc(NS(=O)(=O)c4ccc(OC(F)(F)F)cc4)cc3)cc2N)cc1 | 10.1016/s0960-894x(01)00448-6 | |||
| 10645176 | 27848 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 372 | 4 | 1 | 4 | 5.2 | Cc1nc(N2CCCCC2)c2nc(CSc3ccc(Cl)cc3)cc-2[nH]1 | 10.1021/jm000269t | |||
| CHEMBL137125 | 27848 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 372 | 4 | 1 | 4 | 5.2 | Cc1nc(N2CCCCC2)c2nc(CSc3ccc(Cl)cc3)cc-2[nH]1 | 10.1021/jm000269t | |||
| 44313486 | 204772 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 471 | 3 | 1 | 3 | 5.1 | Cc1cc(C(=O)Nc2cccc(I)c2)nn1-c1cccc(C(F)(F)F)c1 | 10.1016/s0960-894x(01)00449-8 | |||
| CHEMBL74777 | 204772 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 471 | 3 | 1 | 3 | 5.1 | Cc1cc(C(=O)Nc2cccc(I)c2)nn1-c1cccc(C(F)(F)F)c1 | 10.1016/s0960-894x(01)00449-8 | |||
| 44377440 | 57451 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 551 | 10 | 2 | 6 | 4.4 | COc1cc2c(cc1OC)CC(NCC1CCN(CCNS(=O)(=O)c3cccc4ccccc34)CC1)CCC2 | 10.1016/s0960-894x(02)00002-1 | |||
| CHEMBL165556 | 57451 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 551 | 10 | 2 | 6 | 4.4 | COc1cc2c(cc1OC)CC(NCC1CCN(CCNS(=O)(=O)c3cccc4ccccc34)CC1)CCC2 | 10.1016/s0960-894x(02)00002-1 | |||
| 44377661 | 119917 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 593 | 12 | 2 | 7 | 4.3 | CCOC(=O)COc1ccc2c(c1)CC(NCC1CCN(CCNS(=O)(=O)c3cccc4ccccc34)CC1)CCC2 | 10.1016/s0960-894x(02)00002-1 | |||
| CHEMBL349386 | 119917 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 593 | 12 | 2 | 7 | 4.3 | CCOC(=O)COc1ccc2c(c1)CC(NCC1CCN(CCNS(=O)(=O)c3cccc4ccccc34)CC1)CCC2 | 10.1016/s0960-894x(02)00002-1 | |||
| 44287971 | 163442 | 0 | None | - | 0 | Human | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | 487 | 12 | 6 | 4 | 2.4 | N=C(N)NCCCC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@H](CO)c1ccccc1 | 10.1016/s0960-894x(00)00292-4 | |||
| CHEMBL41981 | 163442 | 0 | None | - | 0 | Human | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | 487 | 12 | 6 | 4 | 2.4 | N=C(N)NCCCC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@H](CO)c1ccccc1 | 10.1016/s0960-894x(00)00292-4 | |||
| 9969726 | 205588 | 1 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 375 | 3 | 1 | 5 | 3.6 | CC(=O)N1CCC(CNc2nc3c(s2)CCOc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
| CHEMBL81442 | 205588 | 1 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 375 | 3 | 1 | 5 | 3.6 | CC(=O)N1CCC(CNc2nc3c(s2)CCOc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
| 9799669 | 205810 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 373 | 3 | 1 | 4 | 4.1 | CC(=O)N1CCC(CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
| CHEMBL83255 | 205810 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 373 | 3 | 1 | 4 | 4.1 | CC(=O)N1CCC(CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
| 10324940 | 13842 | 0 | None | - | 0 | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 501 | 4 | 1 | 5 | 5.1 | O=C(CN1CCC(N2C(=O)OCc3cc(Cl)ccc32)CC1)Nc1ccc2c(c1)C(=O)c1ccccc1-2 | 10.1021/jm049599u | |||
| CHEMBL1195875 | 13842 | 0 | None | - | 0 | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 501 | 4 | 1 | 5 | 5.1 | O=C(CN1CCC(N2C(=O)OCc3cc(Cl)ccc32)CC1)Nc1ccc2c(c1)C(=O)c1ccccc1-2 | 10.1021/jm049599u | |||
| CHEMBL555513 | 13842 | 0 | None | - | 0 | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 501 | 4 | 1 | 5 | 5.1 | O=C(CN1CCC(N2C(=O)OCc3cc(Cl)ccc32)CC1)Nc1ccc2c(c1)C(=O)c1ccccc1-2 | 10.1021/jm049599u | |||
| 10969955 | 110588 | 0 | None | - | 0 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 343 | 5 | 1 | 3 | 4.8 | CCn1c2ccccc2c2cc(NC(=O)CCc3ccncc3)ccc21 | 10.1021/jm011125x | |||
| CHEMBL325475 | 110588 | 0 | None | - | 0 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 343 | 5 | 1 | 3 | 4.8 | CCn1c2ccccc2c2cc(NC(=O)CCc3ccncc3)ccc21 | 10.1021/jm011125x | |||
| 1639804 | 13372 | 11 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 323 | 2 | 1 | 3 | 3.7 | CCn1c2ccccc2c2cc(NC(=O)N3CCOCC3)ccc21 | 10.1021/jm011125x | |||
| CHEMBL119247 | 13372 | 11 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 323 | 2 | 1 | 3 | 3.7 | CCn1c2ccccc2c2cc(NC(=O)N3CCOCC3)ccc21 | 10.1021/jm011125x | |||
| 44460467 | 164557 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 413 | 6 | 1 | 5 | 4.9 | CCCCC(=O)N1CCC(CNc2nc3c(s2)CCOc2ccc(C)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
| CHEMBL421521 | 164557 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 413 | 6 | 1 | 5 | 4.9 | CCCCC(=O)N1CCC(CNc2nc3c(s2)CCOc2ccc(C)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
| 44460946 | 205545 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 472 | 5 | 1 | 5 | 5.1 | O=C(CN1CCCCC1)N1CCC(CNc2nc3c(s2)CCCc2ccc(Cl)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
| CHEMBL81024 | 205545 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 472 | 5 | 1 | 5 | 5.1 | O=C(CN1CCCCC1)N1CCC(CNc2nc3c(s2)CCCc2ccc(Cl)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
| 10295464 | 205701 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 417 | 6 | 1 | 5 | 4.7 | CCCCC(=O)N1CCC(CNc2nc3c(s2)CCOc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
| CHEMBL82374 | 205701 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 417 | 6 | 1 | 5 | 4.7 | CCCCC(=O)N1CCC(CNc2nc3c(s2)CCOc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
| 23283663 | 103417 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 537 | 9 | 3 | 5 | 4.9 | O=S(=O)(NC[C@H]1CC[C@H](CNC2CCc3cc(O)ccc3C2Cc2cccnc2)CC1)c1ccccc1F | 10.1021/jm990468g | |||
| CHEMBL3084864 | 103417 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 537 | 9 | 3 | 5 | 4.9 | O=S(=O)(NC[C@H]1CC[C@H](CNC2CCc3cc(O)ccc3C2Cc2cccnc2)CC1)c1ccccc1F | 10.1021/jm990468g | |||
| 45481640 | 197910 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 420 | 2 | 1 | 4 | 3.1 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(Cl)cn3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | |||
| CHEMBL572909 | 197910 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 420 | 2 | 1 | 4 | 3.1 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(Cl)cn3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | |||
| 71519003 | 86167 | 0 | None | - | 0 | Mouse | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 386 | 5 | 1 | 5 | 4.0 | CCS(=O)(=O)c1ccc2[nH]c(Oc3cccc(OC(F)(F)F)c3)nc2c1 | 10.1016/j.bmcl.2012.11.005 | |||
| CHEMBL2312070 | 86167 | 0 | None | - | 0 | Mouse | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 386 | 5 | 1 | 5 | 4.0 | CCS(=O)(=O)c1ccc2[nH]c(Oc3cccc(OC(F)(F)F)c3)nc2c1 | 10.1016/j.bmcl.2012.11.005 | |||
| 9880835 | 187654 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 335 | 3 | 1 | 3 | 3.7 | Fc1ccc(C2(c3ccc(F)cc3)CNC(c3cccnc3)=N2)cc1 | 10.1016/j.bmcl.2009.01.101 | |||
| CHEMBL495034 | 187654 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 335 | 3 | 1 | 3 | 3.7 | Fc1ccc(C2(c3ccc(F)cc3)CNC(c3cccnc3)=N2)cc1 | 10.1016/j.bmcl.2009.01.101 | |||
| 22934127 | 161798 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 261 | 1 | 1 | 2 | 3.6 | c1cncc(-c2nc3c([nH]2)-c2ccccc2CCC3)c1 | 10.1016/s0960-894x(02)00090-2 | |||
| CHEMBL414205 | 161798 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 261 | 1 | 1 | 2 | 3.6 | c1cncc(-c2nc3c([nH]2)-c2ccccc2CCC3)c1 | 10.1016/s0960-894x(02)00090-2 | |||
| 44573575 | 187205 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 463 | 3 | 1 | 5 | 3.5 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccnc(-c4ccccc4)n3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | |||
| CHEMBL492371 | 187205 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 463 | 3 | 1 | 5 | 3.5 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccnc(-c4ccccc4)n3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | |||
| 45487535 | 197238 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 418 | 3 | 1 | 6 | 3.9 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ncc(-c4ccc(F)cc4)cn3)CC2)c2cccnc21 | 10.1016/j.bmcl.2009.07.103 | |||
| CHEMBL568337 | 197238 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 418 | 3 | 1 | 6 | 3.9 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ncc(-c4ccc(F)cc4)cn3)CC2)c2cccnc21 | 10.1016/j.bmcl.2009.07.103 | |||
| 44573575 | 187205 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 463 | 3 | 1 | 5 | 3.5 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccnc(-c4ccccc4)n3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.02.035 | |||
| CHEMBL492371 | 187205 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 463 | 3 | 1 | 5 | 3.5 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccnc(-c4ccccc4)n3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.02.035 | |||
| 70693070 | 76913 | 0 | None | - | 0 | Mouse | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 407 | 3 | 1 | 5 | 4.0 | CC(C)(C)S(=O)(=O)c1ccc2[nH]c(-c3ccc(=O)n(-c4ccccc4)c3)nc2c1 | 10.1016/j.bmcl.2012.07.020 | |||
| CHEMBL2070159 | 76913 | 0 | None | - | 0 | Mouse | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 407 | 3 | 1 | 5 | 4.0 | CC(C)(C)S(=O)(=O)c1ccc2[nH]c(-c3ccc(=O)n(-c4ccccc4)c3)nc2c1 | 10.1016/j.bmcl.2012.07.020 | |||
| 10096226 | 63496 | 0 | None | - | 0 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 469 | 6 | 1 | 5 | 4.5 | O=C(CN1CCC(N2C(=O)OCc3ccccc32)CC1)Nc1ccc(C(=O)c2ccccc2)cc1 | 10.1021/jm049599u | |||
| CHEMBL179972 | 63496 | 0 | None | - | 0 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 469 | 6 | 1 | 5 | 4.5 | O=C(CN1CCC(N2C(=O)OCc3ccccc32)CC1)Nc1ccc(C(=O)c2ccccc2)cc1 | 10.1021/jm049599u | |||
| 21956072 | 193120 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 376 | 2 | 1 | 5 | 4.1 | COC(=O)c1ccc2[nH]c([C@H]3CC[C@@]4(CC3)OC(=O)c3ccccc34)nc2c1 | 10.1016/j.bmcl.2008.08.021 | |||
| CHEMBL522768 | 193120 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 376 | 2 | 1 | 5 | 4.1 | COC(=O)c1ccc2[nH]c([C@H]3CC[C@@]4(CC3)OC(=O)c3ccccc34)nc2c1 | 10.1016/j.bmcl.2008.08.021 | |||
| 10051692 | 44589 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 499 | 6 | 3 | 5 | 3.1 | O=C(NNC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccc(Br)cc2)CC1)c1cccs1 | 10.1016/j.bmcl.2003.11.070 | |||
| CHEMBL152016 | 44589 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 499 | 6 | 3 | 5 | 3.1 | O=C(NNC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccc(Br)cc2)CC1)c1cccs1 | 10.1016/j.bmcl.2003.11.070 | |||
| 10025916 | 63266 | 0 | None | - | 0 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 434 | 4 | 1 | 5 | 3.9 | O=C(CN1CCC(N2C(=O)OCc3cc(F)ccc32)CC1)Nc1ccc2ncccc2c1 | 10.1021/jm049599u | |||
| CHEMBL179154 | 63266 | 0 | None | - | 0 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 434 | 4 | 1 | 5 | 3.9 | O=C(CN1CCC(N2C(=O)OCc3cc(F)ccc32)CC1)Nc1ccc2ncccc2c1 | 10.1021/jm049599u | |||
| 44583560 | 192644 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 405 | 2 | 1 | 5 | 4.5 | O=C1OC2(CCN(C(=O)Nc3nc(-c4ccccc4)cs3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | |||
| CHEMBL521723 | 192644 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 405 | 2 | 1 | 5 | 4.5 | O=C1OC2(CCN(C(=O)Nc3nc(-c4ccccc4)cs3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | |||
| 10971233 | 205033 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 392 | 6 | 2 | 3 | 5.5 | C[C@H]([C@@H](O)c1ccccc1)N(C)/C(S)=N/c1ccc(Oc2ccccc2)cc1 | 10.1021/jm0004547 | |||
| CHEMBL77010 | 205033 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 392 | 6 | 2 | 3 | 5.5 | C[C@H]([C@@H](O)c1ccccc1)N(C)/C(S)=N/c1ccc(Oc2ccccc2)cc1 | 10.1021/jm0004547 | |||
| 10958843 | 111218 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 343 | 5 | 1 | 3 | 4.2 | CCn1c2ccccc2c2cc(C(=O)NCCc3ccncc3)ccc21 | 10.1021/jm011125x | |||
| CHEMBL326491 | 111218 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 343 | 5 | 1 | 3 | 4.2 | CCn1c2ccccc2c2cc(C(=O)NCCc3ccncc3)ccc21 | 10.1021/jm011125x | |||
| 44312687 | 204650 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 491 | 6 | 2 | 7 | 3.1 | COc1ccc(S(=O)(=O)Nc2ccc(-c3cc(N)n(-c4c[n+](C(F)(F)F)ccn4)n3)cc2)cc1 | 10.1016/s0960-894x(01)00448-6 | |||
| CHEMBL73619 | 204650 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 491 | 6 | 2 | 7 | 3.1 | COc1ccc(S(=O)(=O)Nc2ccc(-c3cc(N)n(-c4c[n+](C(F)(F)F)ccn4)n3)cc2)cc1 | 10.1016/s0960-894x(01)00448-6 | |||
| 44460506 | 105410 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 458 | 5 | 1 | 6 | 4.0 | O=C(CN1CCCCC1)N1CCC(CNc2nc3c(s2)CCOc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
| CHEMBL311824 | 105410 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 458 | 5 | 1 | 6 | 4.0 | O=C(CN1CCCCC1)N1CCC(CNc2nc3c(s2)CCOc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
| 11079077 | 204952 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 366 | 6 | 1 | 2 | 6.3 | CC(CC1CCCCC1)N(C)C(=O)Nc1ccc(Oc2ccccc2)cc1 | 10.1021/jm0004547 | |||
| CHEMBL76422 | 204952 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 366 | 6 | 1 | 2 | 6.3 | CC(CC1CCCCC1)N(C)C(=O)Nc1ccc(Oc2ccccc2)cc1 | 10.1021/jm0004547 | |||
| 11089837 | 11020 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 365 | 2 | 1 | 3 | 4.9 | Cc1c(NC(=O)N2CCOCC2)cc(C)c2c1c1ccccc1n2C(C)C | 10.1021/jm011125x | |||
| CHEMBL117469 | 11020 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 365 | 2 | 1 | 3 | 4.9 | Cc1c(NC(=O)N2CCOCC2)cc(C)c2c1c1ccccc1n2C(C)C | 10.1021/jm011125x | |||
| 44377461 | 55579 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 505 | 8 | 2 | 4 | 4.7 | Cc1ccc2c(c1)CC(NCC1CCN(CCNS(=O)(=O)c3cccc4ccccc34)CC1)CCC2 | 10.1016/s0960-894x(02)00002-1 | |||
| CHEMBL162094 | 55579 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 505 | 8 | 2 | 4 | 4.7 | Cc1ccc2c(c1)CC(NCC1CCN(CCNS(=O)(=O)c3cccc4ccccc34)CC1)CCC2 | 10.1016/s0960-894x(02)00002-1 | |||
| 10637486 | 27581 | 1 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 293 | 2 | 2 | 4 | 2.3 | Cc1nc(N2CCNCC2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | |||
| CHEMBL136940 | 27581 | 1 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 293 | 2 | 2 | 4 | 2.3 | Cc1nc(N2CCNCC2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | |||
| 10667042 | 26015 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 336 | 4 | 2 | 4 | 3.7 | Cc1nc(N2CCCCC2CCO)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | |||
| CHEMBL135485 | 26015 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 336 | 4 | 2 | 4 | 3.7 | Cc1nc(N2CCCCC2CCO)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | |||
| 10641357 | 28473 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 310 | 7 | 2 | 4 | 3.7 | CCOCCCNc1[nH]c(C)nc2cc(-c3ccccc3)nc1-2 | 10.1021/jm000269t | |||
| CHEMBL137557 | 28473 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 310 | 7 | 2 | 4 | 3.7 | CCOCCCNc1[nH]c(C)nc2cc(-c3ccccc3)nc1-2 | 10.1021/jm000269t | |||
| 10642052 | 115126 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 320 | 3 | 1 | 3 | 4.7 | CCC1CCCCN1c1[nH]c(C)nc2cc(-c3ccccc3)nc1-2 | 10.1021/jm000269t | |||
| CHEMBL334373 | 115126 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 320 | 3 | 1 | 3 | 4.7 | CCC1CCCCN1c1[nH]c(C)nc2cc(-c3ccccc3)nc1-2 | 10.1021/jm000269t | |||
| 44580547 | 193480 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 333 | 1 | 1 | 4 | 3.5 | Cc1cccc2[nH]c(N3CCC4(CC3)OC(=O)c3ccccc34)nc12 | 10.1016/j.bmcl.2008.08.018 | |||
| CHEMBL526641 | 193480 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 333 | 1 | 1 | 4 | 3.5 | Cc1cccc2[nH]c(N3CCC4(CC3)OC(=O)c3ccccc34)nc12 | 10.1016/j.bmcl.2008.08.018 | |||
| 12018680 | 164683 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 419 | 5 | 3 | 6 | 3.8 | Cc1ccc(-n2nc(-c3ccc(NS(=O)(=O)c4ccc(N)cc4)cc3)cc2N)cc1 | 10.1016/s0960-894x(01)00448-6 | |||
| CHEMBL421695 | 164683 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 419 | 5 | 3 | 6 | 3.8 | Cc1ccc(-n2nc(-c3ccc(NS(=O)(=O)c4ccc(N)cc4)cc3)cc2N)cc1 | 10.1016/s0960-894x(01)00448-6 | |||
| 44377689 | 58082 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 521 | 9 | 2 | 5 | 4.4 | COc1ccc2c(c1)CC(NCCN1CCC(CNS(=O)(=O)c3cccc4ccccc34)CC1)CCC2 | 10.1016/s0960-894x(02)00002-1 | |||
| CHEMBL167318 | 58082 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 521 | 9 | 2 | 5 | 4.4 | COc1ccc2c(c1)CC(NCCN1CCC(CNS(=O)(=O)c3cccc4ccccc34)CC1)CCC2 | 10.1016/s0960-894x(02)00002-1 | |||
| 44344244 | 103416 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 484 | 8 | 2 | 3 | 4.7 | C=CCC1c2ccc(F)cc2CCC1NC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1 | 10.1021/jm990468g | |||
| CHEMBL3084863 | 103416 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 484 | 8 | 2 | 3 | 4.7 | C=CCC1c2ccc(F)cc2CCC1NC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1 | 10.1021/jm990468g | |||
| 9871512 | 166393 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 525 | 7 | 2 | 7 | 4.2 | COc1ccc2c(c1)CCC(NC(=O)CN1CCC(n3c(O)nc4ccccc43)CC1)C2Cc1cccnc1 | 10.1016/s0960-894x(00)00311-5 | |||
| CHEMBL42768 | 166393 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 525 | 7 | 2 | 7 | 4.2 | COc1ccc2c(c1)CCC(NC(=O)CN1CCC(n3c(O)nc4ccccc43)CC1)C2Cc1cccnc1 | 10.1016/s0960-894x(00)00311-5 | |||
| 11795098 | 116414 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 397 | 4 | 2 | 4 | 4.9 | O=C(Nc1nc(N2CCCCC2)c2[nH]c(-c3ccccc3)cc2n1)c1ccccc1 | 10.1021/jm000269t | |||
| CHEMBL336029 | 116414 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 397 | 4 | 2 | 4 | 4.9 | O=C(Nc1nc(N2CCCCC2)c2[nH]c(-c3ccccc3)cc2n1)c1ccccc1 | 10.1021/jm000269t | |||
| 10549405 | 30458 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 371 | 3 | 1 | 5 | 2.0 | Cc1nc(N2CCN(S(C)(=O)=O)CC2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | |||
| CHEMBL139270 | 30458 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 371 | 3 | 1 | 5 | 2.0 | Cc1nc(N2CCN(S(C)(=O)=O)CC2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | |||
| 10948789 | 103579 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 375 | 7 | 1 | 3 | 4.6 | C[C@H]([C@@H](O)c1ccccc1)N(C)C(=O)Cc1ccc(Oc2ccccc2)cc1 | 10.1021/jm0004547 | |||
| CHEMBL308623 | 103579 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 375 | 7 | 1 | 3 | 4.6 | C[C@H]([C@@H](O)c1ccccc1)N(C)C(=O)Cc1ccc(Oc2ccccc2)cc1 | 10.1021/jm0004547 | |||
| 44288112 | 100208 | 1 | None | - | 0 | Human | 4.1 | pIC50 | = | 4.1 | Binding | ChEMBL | 487 | 11 | 5 | 4 | 2.9 | CC(NC(=O)C(CCCN=C(N)N)NC(=O)C(c1ccccc1)c1ccccc1)c1ccc(O)cc1 | 10.1016/s0960-894x(00)00292-4 | |||
| CHEMBL288355 | 100208 | 1 | None | - | 0 | Human | 4.1 | pIC50 | = | 4.1 | Binding | ChEMBL | 487 | 11 | 5 | 4 | 2.9 | CC(NC(=O)C(CCCN=C(N)N)NC(=O)C(c1ccccc1)c1ccccc1)c1ccc(O)cc1 | 10.1016/s0960-894x(00)00292-4 | |||
| 44313496 | 204814 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 345 | 3 | 1 | 3 | 4.7 | Cc1cc(C(=O)Nc2cc(Cl)cc(Cl)c2)nn1-c1ccccc1 | 10.1016/s0960-894x(01)00449-8 | |||
| CHEMBL75193 | 204814 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 345 | 3 | 1 | 3 | 4.7 | Cc1cc(C(=O)Nc2cc(Cl)cc(Cl)c2)nn1-c1ccccc1 | 10.1016/s0960-894x(01)00449-8 | |||
| 44313228 | 204615 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 410 | 4 | 1 | 4 | 5.2 | Cc1cc(C(=O)Nc2ccccc2-n2cccc2)nn1-c1cccc(C(F)(F)F)c1 | 10.1016/s0960-894x(01)00449-8 | |||
| CHEMBL73351 | 204615 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 410 | 4 | 1 | 4 | 5.2 | Cc1cc(C(=O)Nc2ccccc2-n2cccc2)nn1-c1cccc(C(F)(F)F)c1 | 10.1016/s0960-894x(01)00449-8 | |||
| 44401578 | 12961 | 0 | None | - | 0 | Rat | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 512 | 6 | 1 | 6 | 5.4 | CCn1c2ccccc2c2cc(NC(=O)CN3CCC(N4C(=O)OCc5cccc(OC)c54)CC3)ccc21 | 10.1021/jm049599u | |||
| CHEMBL1189371 | 12961 | 0 | None | - | 0 | Rat | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 512 | 6 | 1 | 6 | 5.4 | CCn1c2ccccc2c2cc(NC(=O)CN3CCC(N4C(=O)OCc5cccc(OC)c54)CC3)ccc21 | 10.1021/jm049599u | |||
| CHEMBL538569 | 12961 | 0 | None | - | 0 | Rat | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 512 | 6 | 1 | 6 | 5.4 | CCn1c2ccccc2c2cc(NC(=O)CN3CCC(N4C(=O)OCc5cccc(OC)c54)CC3)ccc21 | 10.1021/jm049599u | |||
| 10926986 | 12629 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 379 | 3 | 1 | 3 | 5.4 | CC(C)c1c(NC(=O)N2CCOCC2)ccc2c1c1ccccc1n2C(C)C | 10.1021/jm011125x | |||
| CHEMBL118710 | 12629 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 379 | 3 | 1 | 3 | 5.4 | CC(C)c1c(NC(=O)N2CCOCC2)ccc2c1c1ccccc1n2C(C)C | 10.1021/jm011125x | |||
| 44287938 | 100410 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 631 | 13 | 4 | 4 | 5.4 | N/C(=N/CCCC(NC(=O)Cc1ccc(-c2ccccc2)cc1)C(=O)N1CCCc2cc(O)ccc2C1)NCCCc1ccccc1 | 10.1016/s0960-894x(00)00292-4 | |||
| CHEMBL290175 | 100410 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 631 | 13 | 4 | 4 | 5.4 | N/C(=N/CCCC(NC(=O)Cc1ccc(-c2ccccc2)cc1)C(=O)N1CCCc2cc(O)ccc2C1)NCCCc1ccccc1 | 10.1016/s0960-894x(00)00292-4 | |||
| 10893873 | 13616 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 365 | 2 | 1 | 3 | 4.7 | CC(C)(C)Cn1c2ccccc2c2cc(NC(=O)N3CCOCC3)ccc21 | 10.1021/jm011125x | |||
| CHEMBL119426 | 13616 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 365 | 2 | 1 | 3 | 4.7 | CC(C)(C)Cn1c2ccccc2c2cc(NC(=O)N3CCOCC3)ccc21 | 10.1021/jm011125x | |||
| 44460815 | 205252 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 416 | 4 | 2 | 5 | 3.0 | CC(=O)NC1CCN(CC(=O)Nc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
| CHEMBL78901 | 205252 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 416 | 4 | 2 | 5 | 3.0 | CC(=O)NC1CCN(CC(=O)Nc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
| 44401552 | 165906 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 572 | 8 | 2 | 6 | 5.5 | O=S(=O)(NCC1CCC(CNc2ncc3ccccc3n2)CC1)c1ccc(Br)cc1OC(F)(F)F | 10.1016/j.bmcl.2005.03.052 | |||
| CHEMBL425012 | 165906 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 572 | 8 | 2 | 6 | 5.5 | O=S(=O)(NCC1CCC(CNc2ncc3ccccc3n2)CC1)c1ccc(Br)cc1OC(F)(F)F | 10.1016/j.bmcl.2005.03.052 | |||
| 10500401 | 27819 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 350 | 9 | 2 | 3 | 5.9 | CCCCCC(CC)CNc1[nH]c(C)nc2cc(-c3ccccc3)nc1-2 | 10.1021/jm000269t | |||
| CHEMBL137102 | 27819 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 350 | 9 | 2 | 3 | 5.9 | CCCCCC(CC)CNc1[nH]c(C)nc2cc(-c3ccccc3)nc1-2 | 10.1021/jm000269t | |||
| 10737530 | 119421 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 328 | 2 | 1 | 3 | 4.2 | Cc1nc(N2CCCCC2)c2[nH]c(-c3cc(F)ccc3F)cc2n1 | 10.1021/jm000269t | |||
| CHEMBL344820 | 119421 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 328 | 2 | 1 | 3 | 4.2 | Cc1nc(N2CCCCC2)c2[nH]c(-c3cc(F)ccc3F)cc2n1 | 10.1021/jm000269t | |||
| 12018679 | 204604 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 449 | 6 | 2 | 7 | 4.1 | Cc1ccc(-n2nc(-c3ccc(NS(=O)(=O)c4ccc([N+](=O)[O-])cc4)cc3)cc2N)cc1 | 10.1016/s0960-894x(01)00448-6 | |||
| CHEMBL73251 | 204604 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 449 | 6 | 2 | 7 | 4.1 | Cc1ccc(-n2nc(-c3ccc(NS(=O)(=O)c4ccc([N+](=O)[O-])cc4)cc3)cc2N)cc1 | 10.1016/s0960-894x(01)00448-6 | |||
| 44377460 | 52735 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 536 | 9 | 2 | 6 | 4.3 | O=[N+]([O-])c1ccc2c(c1)CC(NCC1CCN(CCNS(=O)(=O)c3cccc4ccccc34)CC1)CCC2 | 10.1016/s0960-894x(02)00002-1 | |||
| CHEMBL159450 | 52735 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 536 | 9 | 2 | 6 | 4.3 | O=[N+]([O-])c1ccc2c(c1)CC(NCC1CCN(CCNS(=O)(=O)c3cccc4ccccc34)CC1)CCC2 | 10.1016/s0960-894x(02)00002-1 | |||
| 11015360 | 11292 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 422 | 6 | 1 | 5 | 3.4 | CN(C)S(=O)(=O)n1c2ccccc2c2cc(NC(=O)CCc3ccncc3)ccc21 | 10.1021/jm011125x | |||
| CHEMBL117922 | 11292 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 422 | 6 | 1 | 5 | 3.4 | CN(C)S(=O)(=O)n1c2ccccc2c2cc(NC(=O)CCc3ccncc3)ccc21 | 10.1021/jm011125x | |||
| 44579845 | 193123 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 386 | 1 | 1 | 3 | 5.6 | O=C1O[C@]2(CC[C@H](c3nc4cc(Cl)c(Cl)cc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.021 | |||
| CHEMBL522788 | 193123 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 386 | 1 | 1 | 3 | 5.6 | O=C1O[C@]2(CC[C@H](c3nc4cc(Cl)c(Cl)cc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.021 | |||
| 10347241 | 13932 | 0 | None | - | 0 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 503 | 4 | 2 | 5 | 5.0 | O=C(CN1CCC(N2C(=O)OCc3cc(Cl)ccc32)CC1)Nc1ccc2c(c1)-c1ccccc1C2O | 10.1021/jm049599u | |||
| CHEMBL1196486 | 13932 | 0 | None | - | 0 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 503 | 4 | 2 | 5 | 5.0 | O=C(CN1CCC(N2C(=O)OCc3cc(Cl)ccc32)CC1)Nc1ccc2c(c1)-c1ccccc1C2O | 10.1021/jm049599u | |||
| CHEMBL557172 | 13932 | 0 | None | - | 0 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 503 | 4 | 2 | 5 | 5.0 | O=C(CN1CCC(N2C(=O)OCc3cc(Cl)ccc32)CC1)Nc1ccc2c(c1)-c1ccccc1C2O | 10.1021/jm049599u | |||
| 10971892 | 103173 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 422 | 7 | 1 | 2 | 6.9 | CN(C(=O)Nc1ccc(Oc2ccccc2)cc1)C(Cc1ccccc1)c1ccccc1 | 10.1021/jm0004547 | |||
| CHEMBL308130 | 103173 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 422 | 7 | 1 | 2 | 6.9 | CN(C(=O)Nc1ccc(Oc2ccccc2)cc1)C(Cc1ccccc1)c1ccccc1 | 10.1021/jm0004547 | |||
| 44573697 | 187210 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 351 | 3 | 2 | 3 | 2.9 | O=c1cccc(C2=NC(c3ccc(F)cc3)(c3ccc(F)cc3)CN2)[nH]1 | 10.1016/j.bmcl.2009.01.101 | |||
| CHEMBL492377 | 187210 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 351 | 3 | 2 | 3 | 2.9 | O=c1cccc(C2=NC(c3ccc(F)cc3)(c3ccc(F)cc3)CN2)[nH]1 | 10.1016/j.bmcl.2009.01.101 | |||
| 9952193 | 100586 | 0 | None | - | 1 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 387 | 6 | 2 | 4 | 4.4 | COc1ccc(-c2cc(NC(=O)Cc3ccc4ccccc4c3)[nH]n2)cc1OC | 10.1021/jm980521l | |||
| CHEMBL291666 | 100586 | 0 | None | - | 1 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 387 | 6 | 2 | 4 | 4.4 | COc1ccc(-c2cc(NC(=O)Cc3ccc4ccccc4c3)[nH]n2)cc1OC | 10.1021/jm980521l | |||
| 10689108 | 25740 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 312 | 3 | 1 | 3 | 4.3 | Cc1nc(N2CCCCC2)c2nc(CC3CCCCC3)cc-2[nH]1 | 10.1021/jm000269t | |||
| CHEMBL135261 | 25740 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 312 | 3 | 1 | 3 | 4.3 | Cc1nc(N2CCCCC2)c2nc(CC3CCCCC3)cc-2[nH]1 | 10.1021/jm000269t | |||
| 9947073 | 193086 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 362 | 4 | 1 | 3 | 4.1 | O=Cc1cccc(C2=NC(c3ccc(F)cc3)(c3ccc(F)cc3)CN2)c1 | 10.1016/j.bmcl.2009.01.101 | |||
| CHEMBL522539 | 193086 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 362 | 4 | 1 | 3 | 4.1 | O=Cc1cccc(C2=NC(c3ccc(F)cc3)(c3ccc(F)cc3)CN2)c1 | 10.1016/j.bmcl.2009.01.101 | |||
| 9983662 | 13956 | 0 | None | - | 0 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 469 | 4 | 2 | 5 | 4.3 | O=C(CN1CCC(N2C(=O)OCc3ccccc32)CC1)Nc1ccc2c(c1)-c1ccccc1C2O | 10.1021/jm049599u | |||
| CHEMBL1196677 | 13956 | 0 | None | - | 0 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 469 | 4 | 2 | 5 | 4.3 | O=C(CN1CCC(N2C(=O)OCc3ccccc32)CC1)Nc1ccc2c(c1)-c1ccccc1C2O | 10.1021/jm049599u | |||
| CHEMBL557802 | 13956 | 0 | None | - | 0 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 469 | 4 | 2 | 5 | 4.3 | O=C(CN1CCC(N2C(=O)OCc3ccccc32)CC1)Nc1ccc2c(c1)-c1ccccc1C2O | 10.1021/jm049599u | |||
| 45481802 | 198408 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 472 | 3 | 1 | 6 | 3.7 | COc1cccc2sc(NC(=O)N3CCC4(CC3)CN(S(C)(=O)=O)c3ccccc34)nc12 | 10.1016/j.bmc.2009.05.064 | |||
| CHEMBL576941 | 198408 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 472 | 3 | 1 | 6 | 3.7 | COc1cccc2sc(NC(=O)N3CCC4(CC3)CN(S(C)(=O)=O)c3ccccc34)nc12 | 10.1016/j.bmc.2009.05.064 | |||
| 9908720 | 204636 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 396 | 3 | 1 | 4 | 5.0 | Cc1cc(C(=O)Nc2cccc3cnccc23)nn1-c1cccc(C(F)(F)F)c1 | 10.1016/s0960-894x(01)00449-8 | |||
| CHEMBL73534 | 204636 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 396 | 3 | 1 | 4 | 5.0 | Cc1cc(C(=O)Nc2cccc3cnccc23)nn1-c1cccc(C(F)(F)F)c1 | 10.1016/s0960-894x(01)00449-8 | |||
| 71518853 | 86161 | 0 | None | - | 0 | Mouse | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 350 | 5 | 1 | 4 | 3.6 | CCS(=O)(=O)c1ccc2[nH]c(OCc3cccc(Cl)c3)nc2c1 | 10.1016/j.bmcl.2012.11.005 | |||
| CHEMBL2312064 | 86161 | 0 | None | - | 0 | Mouse | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 350 | 5 | 1 | 4 | 3.6 | CCS(=O)(=O)c1ccc2[nH]c(OCc3cccc(Cl)c3)nc2c1 | 10.1016/j.bmcl.2012.11.005 | |||
| 44313572 | 204922 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 363 | 3 | 1 | 3 | 4.6 | Cc1cc(C(=O)Nc2ccc(F)cc2)nn1-c1cccc(C(F)(F)F)c1 | 10.1016/s0960-894x(01)00449-8 | |||
| CHEMBL76218 | 204922 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 363 | 3 | 1 | 3 | 4.6 | Cc1cc(C(=O)Nc2ccc(F)cc2)nn1-c1cccc(C(F)(F)F)c1 | 10.1016/s0960-894x(01)00449-8 | |||
| 11099994 | 10130 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 343 | 5 | 1 | 3 | 4.8 | CCn1c2ccccc2c2ccc(NC(=O)CCc3ccncc3)cc21 | 10.1021/jm011125x | |||
| CHEMBL115690 | 10130 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 343 | 5 | 1 | 3 | 4.8 | CCn1c2ccccc2c2ccc(NC(=O)CCc3ccncc3)cc21 | 10.1021/jm011125x | |||
| 21129772 | 169424 | 4 | None | -309 | 8 | Human | 4.1 | pIC50 | = | 4.1 | Binding | ChEMBL | 473 | 11 | 6 | 4 | 2.6 | N=C(N)NCCCC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1016/s0960-894x(00)00292-4 | |||
| CHEMBL44246 | 169424 | 4 | None | -309 | 8 | Human | 4.1 | pIC50 | = | 4.1 | Binding | ChEMBL | 473 | 11 | 6 | 4 | 2.6 | N=C(N)NCCCC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1016/s0960-894x(00)00292-4 | |||
| 11056043 | 120050 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 311 | 4 | 2 | 2 | 3.9 | O=C(Cc1ccccc1)Nc1cc(-c2ccc(Cl)cc2)n[nH]1 | 10.1021/jm025513q | |||
| CHEMBL350463 | 120050 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 311 | 4 | 2 | 2 | 3.9 | O=C(Cc1ccccc1)Nc1cc(-c2ccc(Cl)cc2)n[nH]1 | 10.1021/jm025513q | |||
| 44460921 | 205706 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 430 | 6 | 2 | 5 | 4.1 | CN(C)CC(=O)N[C@H]1CC[C@H](CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
| CHEMBL82408 | 205706 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 430 | 6 | 2 | 5 | 4.1 | CN(C)CC(=O)N[C@H]1CC[C@H](CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
| 10779945 | 168580 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 291 | 2 | 1 | 2 | 5.0 | Cc1nc(C2CCCCC2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | |||
| CHEMBL435825 | 168580 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 291 | 2 | 1 | 2 | 5.0 | Cc1nc(C2CCCCC2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | |||
| 44580594 | 188102 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 387 | 1 | 1 | 4 | 4.2 | O=C1OC2(CCN(c3nc4c(C(F)(F)F)cccc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.018 | |||
| CHEMBL498166 | 188102 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 387 | 1 | 1 | 4 | 4.2 | O=C1OC2(CCN(c3nc4c(C(F)(F)F)cccc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.018 | |||
| 10498514 | 119216 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 320 | 3 | 1 | 3 | 4.7 | CC(C)c1nc(N2CCCCC2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | |||
| CHEMBL343330 | 119216 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 320 | 3 | 1 | 3 | 4.7 | CC(C)c1nc(N2CCCCC2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | |||
| 22325350 | 184326 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 397 | 2 | 1 | 6 | 2.6 | CS(=O)(=O)c1ccc2[nH]c(N3CCC4(CC3)OC(=O)c3ccccc34)nc2c1 | 10.1016/j.bmcl.2008.08.018 | |||
| CHEMBL484267 | 184326 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 397 | 2 | 1 | 6 | 2.6 | CS(=O)(=O)c1ccc2[nH]c(N3CCC4(CC3)OC(=O)c3ccccc34)nc2c1 | 10.1016/j.bmcl.2008.08.018 | |||
| 44377468 | 56500 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 525 | 8 | 2 | 4 | 5.0 | O=S(=O)(NCCN1CCC(CNC2CCCc3ccc(Cl)cc3C2)CC1)c1cccc2ccccc12 | 10.1016/s0960-894x(02)00002-1 | |||
| CHEMBL163470 | 56500 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 525 | 8 | 2 | 4 | 5.0 | O=S(=O)(NCCN1CCC(CNC2CCCc3ccc(Cl)cc3C2)CC1)c1cccc2ccccc12 | 10.1016/s0960-894x(02)00002-1 | |||
| 10734658 | 27604 | 3 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 286 | 2 | 1 | 3 | 4.0 | Cc1nc(-c2cccnc2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | |||
| CHEMBL136959 | 27604 | 3 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 286 | 2 | 1 | 3 | 4.0 | Cc1nc(-c2cccnc2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | |||
| 10789271 | 164856 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 404 | 4 | 1 | 5 | 3.8 | Cc1nc(N2CCCCC2)c2nc(CS(=O)(=O)c3ccc(Cl)cc3)cc-2[nH]1 | 10.1021/jm000269t | |||
| CHEMBL421913 | 164856 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 404 | 4 | 1 | 5 | 3.8 | Cc1nc(N2CCCCC2)c2nc(CS(=O)(=O)c3ccc(Cl)cc3)cc-2[nH]1 | 10.1021/jm000269t | |||
| 44377854 | 120113 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 507 | 10 | 2 | 5 | 3.8 | COc1ccc2c(c1)CC(CNCC1CN(CCNS(=O)(=O)c3cccc4ccccc34)C1)CCC2 | 10.1016/s0960-894x(02)00002-1 | |||
| CHEMBL351082 | 120113 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 507 | 10 | 2 | 5 | 3.8 | COc1ccc2c(c1)CC(CNCC1CN(CCNS(=O)(=O)c3cccc4ccccc34)C1)CCC2 | 10.1016/s0960-894x(02)00002-1 | |||
| 10075283 | 12979 | 0 | None | - | 0 | Rat | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 481 | 4 | 1 | 5 | 4.8 | Cc1ccc2c(c1)COC(=O)N2C1CCN(CC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2-3)CC1 | 10.1021/jm049599u | |||
| CHEMBL1189496 | 12979 | 0 | None | - | 0 | Rat | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 481 | 4 | 1 | 5 | 4.8 | Cc1ccc2c(c1)COC(=O)N2C1CCN(CC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2-3)CC1 | 10.1021/jm049599u | |||
| CHEMBL538823 | 12979 | 0 | None | - | 0 | Rat | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 481 | 4 | 1 | 5 | 4.8 | Cc1ccc2c(c1)COC(=O)N2C1CCN(CC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2-3)CC1 | 10.1021/jm049599u | |||
| 12078329 | 29447 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 324 | 3 | 1 | 3 | 3.9 | Cc1nc(N2CCCCC2)c2nc(Cc3ccc(F)cc3)cc-2[nH]1 | 10.1021/jm000269t | |||
| CHEMBL138435 | 29447 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 324 | 3 | 1 | 3 | 3.9 | Cc1nc(N2CCCCC2)c2nc(Cc3ccc(F)cc3)cc-2[nH]1 | 10.1021/jm000269t | |||
| 44401449 | 71094 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 544 | 6 | 2 | 6 | 5.0 | O=S(=O)(NC1CCC(Nc2ncc3ccccc3n2)CC1)c1ccc(Br)cc1OC(F)(F)F | 10.1016/j.bmcl.2005.03.052 | |||
| CHEMBL195346 | 71094 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 544 | 6 | 2 | 6 | 5.0 | O=S(=O)(NC1CCC(Nc2ncc3ccccc3n2)CC1)c1ccc(Br)cc1OC(F)(F)F | 10.1016/j.bmcl.2005.03.052 | |||
| 11204090 | 63507 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 587 | 7 | 2 | 7 | 5.1 | CN(C)c1nc(N[C@H]2CC[C@@H](NS(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 | 10.1016/j.bmcl.2005.05.121 | |||
| CHEMBL180003 | 63507 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 587 | 7 | 2 | 7 | 5.1 | CN(C)c1nc(N[C@H]2CC[C@@H](NS(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 | 10.1016/j.bmcl.2005.05.121 | |||
| 44390118 | 123909 | 0 | None | - | 0 | Mouse | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 366 | 4 | 1 | 4 | 5.3 | O=C(c1cccc(F)c1)c1cnc(Nc2cccc(C(F)(F)F)c2)s1 | 10.1016/j.bmcl.2005.01.063 | |||
| CHEMBL362795 | 123909 | 0 | None | - | 0 | Mouse | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 366 | 4 | 1 | 4 | 5.3 | O=C(c1cccc(F)c1)c1cnc(Nc2cccc(C(F)(F)F)c2)s1 | 10.1016/j.bmcl.2005.01.063 | |||
| 11342160 | 122935 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 573 | 6 | 1 | 7 | 4.6 | CN(C)c1nc(NC2CCN(S(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 | 10.1016/j.bmcl.2005.03.052 | |||
| CHEMBL360671 | 122935 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 573 | 6 | 1 | 7 | 4.6 | CN(C)c1nc(NC2CCN(S(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 | 10.1016/j.bmcl.2005.03.052 | |||
| 11342160 | 122935 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 573 | 6 | 1 | 7 | 4.6 | CN(C)c1nc(NC2CCN(S(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 | 10.1016/j.bmcl.2005.05.121 | |||
| CHEMBL360671 | 122935 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 573 | 6 | 1 | 7 | 4.6 | CN(C)c1nc(NC2CCN(S(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 | 10.1016/j.bmcl.2005.05.121 | |||
| 9934923 | 102641 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 481 | 5 | 3 | 5 | 3.5 | O=C(NC1=NC2CCc3cc(O)ccc3C2C1)[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1 | 10.1016/s0960-894x(99)00676-9 | |||
| CHEMBL304353 | 102641 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 481 | 5 | 3 | 5 | 3.5 | O=C(NC1=NC2CCc3cc(O)ccc3C2C1)[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1 | 10.1016/s0960-894x(99)00676-9 | |||
| 9847333 | 198150 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 465 | 3 | 1 | 5 | 3.4 | Cn1ccnc1-c1ccc(NC(=O)N2CCC3(CC2)CN(S(C)(=O)=O)c2ccccc23)cc1 | 10.1016/j.bmc.2009.05.064 | |||
| CHEMBL574772 | 198150 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 465 | 3 | 1 | 5 | 3.4 | Cn1ccnc1-c1ccc(NC(=O)N2CCC3(CC2)CN(S(C)(=O)=O)c2ccccc23)cc1 | 10.1016/j.bmc.2009.05.064 | |||
| 11057893 | 205114 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 376 | 6 | 2 | 3 | 5.1 | C[C@H]([C@@H](O)c1ccccc1)N(C)C(=O)Nc1cccc(Oc2ccccc2)c1 | 10.1021/jm0004547 | |||
| CHEMBL77769 | 205114 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 376 | 6 | 2 | 3 | 5.1 | C[C@H]([C@@H](O)c1ccccc1)N(C)C(=O)Nc1cccc(Oc2ccccc2)c1 | 10.1021/jm0004547 | |||
| 23442513 | 67000 | 0 | None | - | 0 | Mouse | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 517 | 9 | 2 | 6 | 5.1 | Cc1ccccc1C(=O)c1csc(NCCCNS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)n1 | 10.1016/j.bmcl.2005.05.009 | |||
| CHEMBL186916 | 67000 | 0 | None | - | 0 | Mouse | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 517 | 9 | 2 | 6 | 5.1 | Cc1ccccc1C(=O)c1csc(NCCCNS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)n1 | 10.1016/j.bmcl.2005.05.009 | |||
| 44271231 | 60428 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 536 | 7 | 2 | 7 | 2.0 | NS(=O)(=O)c1ccc(CCNC(=O)C2CCN(C(=O)Cn3c(=O)sc4ccc(Cl)cc43)CC2)cc1 | 10.1016/s0960-894x(02)00113-0 | |||
| CHEMBL17513 | 60428 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 536 | 7 | 2 | 7 | 2.0 | NS(=O)(=O)c1ccc(CCNC(=O)C2CCN(C(=O)Cn3c(=O)sc4ccc(Cl)cc43)CC2)cc1 | 10.1016/s0960-894x(02)00113-0 | |||
| 20587799 | 191678 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 347 | 1 | 1 | 4 | 3.8 | Cc1cc2nc(N3CCC4(CC3)OC(=O)c3ccccc34)[nH]c2cc1C | 10.1016/j.bmcl.2008.08.018 | |||
| CHEMBL519651 | 191678 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 347 | 1 | 1 | 4 | 3.8 | Cc1cc2nc(N3CCC4(CC3)OC(=O)c3ccccc34)[nH]c2cc1C | 10.1016/j.bmcl.2008.08.018 | |||
| 10223395 | 187722 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 412 | 4 | 1 | 4 | 3.7 | CS(=O)(=O)c1cccc(C2=NC(c3ccc(F)cc3)(c3ccc(F)cc3)CN2)c1 | 10.1016/j.bmcl.2009.01.101 | |||
| CHEMBL495369 | 187722 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 412 | 4 | 1 | 4 | 3.7 | CS(=O)(=O)c1cccc(C2=NC(c3ccc(F)cc3)(c3ccc(F)cc3)CN2)c1 | 10.1016/j.bmcl.2009.01.101 | |||
| 44580222 | 184172 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 363 | 1 | 1 | 6 | 3.0 | O=C1OC2(CCN(c3nc4cc5c(cc4[nH]3)OCO5)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.018 | |||
| CHEMBL483040 | 184172 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 363 | 1 | 1 | 6 | 3.0 | O=C1OC2(CCN(c3nc4cc5c(cc4[nH]3)OCO5)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.018 | |||
| 71519164 | 86169 | 0 | None | - | 0 | Mouse | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 378 | 5 | 1 | 4 | 4.8 | CCS(=O)(=O)c1ccc2[nH]c(Oc3cccc(-c4ccccc4)c3)nc2c1 | 10.1016/j.bmcl.2012.11.005 | |||
| CHEMBL2312072 | 86169 | 0 | None | - | 0 | Mouse | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 378 | 5 | 1 | 4 | 4.8 | CCS(=O)(=O)c1ccc2[nH]c(Oc3cccc(-c4ccccc4)c3)nc2c1 | 10.1016/j.bmcl.2012.11.005 | |||
| 9983624 | 13941 | 0 | None | - | 0 | Rat | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 468 | 4 | 1 | 5 | 4.9 | Cn1c2ccccc2c2cc(NC(=O)CN3CCC(N4C(=O)OCc5ccccc54)CC3)ccc21 | 10.1021/jm049599u | |||
| CHEMBL1196584 | 13941 | 0 | None | - | 0 | Rat | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 468 | 4 | 1 | 5 | 4.9 | Cn1c2ccccc2c2cc(NC(=O)CN3CCC(N4C(=O)OCc5ccccc54)CC3)ccc21 | 10.1021/jm049599u | |||
| CHEMBL557540 | 13941 | 0 | None | - | 0 | Rat | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 468 | 4 | 1 | 5 | 4.9 | Cn1c2ccccc2c2cc(NC(=O)CN3CCC(N4C(=O)OCc5ccccc54)CC3)ccc21 | 10.1021/jm049599u | |||
| 44573615 | 187233 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 463 | 3 | 1 | 5 | 3.5 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3nccc(-c4ccccc4)n3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | |||
| CHEMBL492567 | 187233 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 463 | 3 | 1 | 5 | 3.5 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3nccc(-c4ccccc4)n3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | |||
| 44573615 | 187233 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 463 | 3 | 1 | 5 | 3.5 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3nccc(-c4ccccc4)n3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.02.035 | |||
| CHEMBL492567 | 187233 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 463 | 3 | 1 | 5 | 3.5 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3nccc(-c4ccccc4)n3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.02.035 | |||
| 9888989 | 203824 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 431 | 9 | 1 | 4 | 5.2 | COc1ccc2c(c1)CCC(NCCc1ccc(OC)c(OC)c1)C2Cc1ccccc1 | 10.1021/jm990468g | |||
| CHEMBL68467 | 203824 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 431 | 9 | 1 | 4 | 5.2 | COc1ccc2c(c1)CCC(NCCc1ccc(OC)c(OC)c1)C2Cc1ccccc1 | 10.1021/jm990468g | |||
| 22257112 | 102902 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 495 | 6 | 2 | 5 | 3.8 | COc1ccc2c(c1)CCC1N=C(NC(=O)[C@H]3CC[C@H](CNS(=O)(=O)c4ccccc4)CC3)CC21 | 10.1016/s0960-894x(99)00676-9 | |||
| CHEMBL305987 | 102902 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 495 | 6 | 2 | 5 | 3.8 | COc1ccc2c(c1)CCC1N=C(NC(=O)[C@H]3CC[C@H](CNS(=O)(=O)c4ccccc4)CC3)CC21 | 10.1016/s0960-894x(99)00676-9 | |||
| 44580505 | 187809 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 319 | 1 | 1 | 4 | 3.7 | O=C1O[C@]2(CC[C@H](c3nc4cccnc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.018 | |||
| CHEMBL495930 | 187809 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 319 | 1 | 1 | 4 | 3.7 | O=C1O[C@]2(CC[C@H](c3nc4cccnc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.018 | |||
| 44579794 | 187045 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 318 | 1 | 1 | 3 | 4.3 | O=C1O[C@]2(CC[C@H](c3nc4ccccc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.021 | |||
| CHEMBL491020 | 187045 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 318 | 1 | 1 | 3 | 4.3 | O=C1O[C@]2(CC[C@H](c3nc4ccccc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.021 | |||
| 10758195 | 78519 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 322 | 3 | 1 | 4 | 3.9 | COc1c(-c2ccccc2)[nH]c2c(N3CCCCC3)nc(C)nc12 | 10.1021/jm000269t | |||
| CHEMBL2111927 | 78519 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 322 | 3 | 1 | 4 | 3.9 | COc1c(-c2ccccc2)[nH]c2c(N3CCCCC3)nc(C)nc12 | 10.1021/jm000269t | |||
| 44370202 | 120074 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 522 | 6 | 3 | 6 | 4.0 | O=C(NNC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2cccc3cccnc23)CC1)c1cc2ccccc2s1 | 10.1016/j.bmcl.2003.11.070 | |||
| CHEMBL350684 | 120074 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 522 | 6 | 3 | 6 | 4.0 | O=C(NNC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2cccc3cccnc23)CC1)c1cc2ccccc2s1 | 10.1016/j.bmcl.2003.11.070 | |||
| 9967784 | 188856 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 340 | 3 | 1 | 3 | 4.3 | Fc1ccc(C2(c3ccc(F)cc3)CNC(c3ccsc3)=N2)cc1 | 10.1016/j.bmcl.2009.01.101 | |||
| CHEMBL506812 | 188856 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 340 | 3 | 1 | 3 | 4.3 | Fc1ccc(C2(c3ccc(F)cc3)CNC(c3ccsc3)=N2)cc1 | 10.1016/j.bmcl.2009.01.101 | |||
| 9819988 | 28592 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 354 | 3 | 1 | 3 | 5.2 | c1ccc(-c2cc3nc(-c4ccccc4)[nH]c(N4CCCCC4)c-3n2)cc1 | 10.1021/jm000269t | |||
| CHEMBL137669 | 28592 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 354 | 3 | 1 | 3 | 5.2 | c1ccc(-c2cc3nc(-c4ccccc4)[nH]c(N4CCCCC4)c-3n2)cc1 | 10.1021/jm000269t | |||
| 10970790 | 205066 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 374 | 6 | 1 | 3 | 5.2 | C[C@H](C(=O)c1ccccc1)N(C)C(=O)Nc1ccc(Oc2ccccc2)cc1 | 10.1021/jm0004547 | |||
| CHEMBL77255 | 205066 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 374 | 6 | 1 | 3 | 5.2 | C[C@H](C(=O)c1ccccc1)N(C)C(=O)Nc1ccc(Oc2ccccc2)cc1 | 10.1021/jm0004547 | |||
| 11111618 | 205470 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 377 | 6 | 1 | 4 | 5.0 | C[C@H]([C@@H](O)c1ccccc1)N(C)C(=O)Oc1ccc(Oc2ccccc2)cc1 | 10.1021/jm0004547 | |||
| CHEMBL80465 | 205470 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 377 | 6 | 1 | 4 | 5.0 | C[C@H]([C@@H](O)c1ccccc1)N(C)C(=O)Oc1ccc(Oc2ccccc2)cc1 | 10.1021/jm0004547 | |||
| 71519167 | 86173 | 0 | None | - | 0 | Mouse | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 379 | 5 | 1 | 5 | 4.2 | CCS(=O)(=O)c1ccc2[nH]c(Oc3ccc(-c4ccccc4)cn3)nc2c1 | 10.1016/j.bmcl.2012.11.005 | |||
| CHEMBL2312076 | 86173 | 0 | None | - | 0 | Mouse | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 379 | 5 | 1 | 5 | 4.2 | CCS(=O)(=O)c1ccc2[nH]c(Oc3ccc(-c4ccccc4)cn3)nc2c1 | 10.1016/j.bmcl.2012.11.005 | |||
| 71519002 | 86166 | 0 | None | - | 0 | Mouse | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 370 | 4 | 1 | 4 | 4.2 | CCS(=O)(=O)c1ccc2[nH]c(Oc3ccc(C(F)(F)F)cc3)nc2c1 | 10.1016/j.bmcl.2012.11.005 | |||
| CHEMBL2312069 | 86166 | 0 | None | - | 0 | Mouse | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 370 | 4 | 1 | 4 | 4.2 | CCS(=O)(=O)c1ccc2[nH]c(Oc3ccc(C(F)(F)F)cc3)nc2c1 | 10.1016/j.bmcl.2012.11.005 | |||
| 44461106 | 205575 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 437 | 4 | 1 | 5 | 4.8 | CC(C)C(=O)N1CCC(CNc2nc3c(s2)CCOc2cc(Cl)c(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
| CHEMBL81337 | 205575 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 437 | 4 | 1 | 5 | 4.8 | CC(C)C(=O)N1CCC(CNc2nc3c(s2)CCOc2cc(Cl)c(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
| 23442587 | 67177 | 0 | None | - | 0 | Mouse | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 433 | 9 | 2 | 6 | 3.6 | Cc1ccccc1C(=O)c1cnc(NCCCNS(=O)(=O)c2ccc(F)cc2)s1 | 10.1016/j.bmcl.2005.05.009 | |||
| CHEMBL187729 | 67177 | 0 | None | - | 0 | Mouse | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 433 | 9 | 2 | 6 | 3.6 | Cc1ccccc1C(=O)c1cnc(NCCCNS(=O)(=O)c2ccc(F)cc2)s1 | 10.1016/j.bmcl.2005.05.009 | |||
| 44302732 | 202736 | 0 | None | - | 1 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 363 | 6 | 1 | 3 | 4.9 | CC(C)Cn1c2ccccc2c2cc(NC(=O)CCN3CCCC3)ccc21 | 10.1016/s0960-894x(03)00329-9 | |||
| CHEMBL61880 | 202736 | 0 | None | - | 1 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 363 | 6 | 1 | 3 | 4.9 | CC(C)Cn1c2ccccc2c2cc(NC(=O)CCN3CCCC3)ccc21 | 10.1016/s0960-894x(03)00329-9 | |||
| 56683704 | 65370 | 0 | None | - | 1 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 457 | 7 | 2 | 5 | 2.1 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CN2C(=O)COc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2012.01.117 | |||
| CHEMBL1829320 | 65370 | 0 | None | - | 1 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 457 | 7 | 2 | 5 | 2.1 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CN2C(=O)COc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2012.01.117 | |||
| 57345521 | 73312 | 0 | None | - | 1 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 425 | 7 | 2 | 4 | 3.3 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)Cn2ccc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2012.01.117 | |||
| CHEMBL2013020 | 73312 | 0 | None | - | 1 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 425 | 7 | 2 | 4 | 3.3 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)Cn2ccc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2012.01.117 | |||
| CHEMBL4284905 | 213450 | 0 | None | -1 | 4 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC | 10.1021/acs.jmedchem.8b01046 | |||||
| CHEMBL4284905 | 213450 | 0 | None | -1 | 4 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC | 10.1021/acs.jmedchem.8b01046 | |||||
| 10273848 | 155369 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 423 | 4 | 1 | 3 | 3.5 | CN(C(=O)Nc1ccc(-c2cc(F)cc(F)c2)cc1)C1CCN(S(C)(=O)=O)CC1 | 10.1016/j.bmcl.2007.11.132 | |||
| CHEMBL403414 | 155369 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 423 | 4 | 1 | 3 | 3.5 | CN(C(=O)Nc1ccc(-c2cc(F)cc(F)c2)cc1)C1CCN(S(C)(=O)=O)CC1 | 10.1016/j.bmcl.2007.11.132 | |||
| 56841989 | 213420 | 6 | None | -2 | 7 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
| CHEMBL4281479 | 213420 | 6 | None | -2 | 7 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
| 57345520 | 73304 | 0 | None | - | 1 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 427 | 7 | 2 | 4 | 2.7 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CN2CCc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2012.01.117 | |||
| CHEMBL2013012 | 73304 | 0 | None | - | 1 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 427 | 7 | 2 | 4 | 2.7 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CN2CCc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2012.01.117 | |||
| 56841989 | 213420 | 6 | None | -2 | 7 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
| CHEMBL4281479 | 213420 | 6 | None | -2 | 7 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
| 56666778 | 65373 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 459 | 7 | 2 | 5 | 3.3 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CN2CCSc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2011.06.078 | |||
| CHEMBL1829323 | 65373 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 459 | 7 | 2 | 5 | 3.3 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CN2CCSc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2011.06.078 | |||
| CHEMBL4277590 | 213373 | 0 | None | -1 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
| CHEMBL4286615 | 213464 | 0 | None | -63 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N(C)[C@@H](CCC(N)=O)CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O | 10.1021/acs.jmedchem.8b01046 | |||||
| CHEMBL4277590 | 213373 | 0 | None | -1 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
| CHEMBL4286615 | 213464 | 0 | None | -63 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N(C)[C@@H](CCC(N)=O)CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O | 10.1021/acs.jmedchem.8b01046 | |||||
| 70685339 | 73483 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 434 | 3 | 1 | 5 | 4.5 | CN(C(=O)Nc1ccn(-c2ccccc2F)n1)[C@H]1CC[C@]2(CC1)OC(=O)c1ccccc12 | 10.1016/j.bmcl.2012.02.098 | |||
| CHEMBL2016732 | 73483 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 434 | 3 | 1 | 5 | 4.5 | CN(C(=O)Nc1ccn(-c2ccccc2F)n1)[C@H]1CC[C@]2(CC1)OC(=O)c1ccccc12 | 10.1016/j.bmcl.2012.02.098 | |||
| 10203845 | 155584 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 443 | 5 | 1 | 3 | 3.4 | CCS(=O)(=O)N1CCC(N(C)C(=O)N[C@H]2CC[C@H](c3cc(F)cc(F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.11.132 | |||
| CHEMBL404461 | 155584 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 443 | 5 | 1 | 3 | 3.4 | CCS(=O)(=O)N1CCC(N(C)C(=O)N[C@H]2CC[C@H](c3cc(F)cc(F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.11.132 | |||
| 70681111 | 73449 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 435 | 3 | 1 | 6 | 3.9 | CN(C(=O)Nc1ccn(-c2ccccc2F)n1)[C@H]1CC[C@]2(CC1)OC(=O)c1ccncc12 | 10.1016/j.bmcl.2012.02.098 | |||
| CHEMBL2016682 | 73449 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 435 | 3 | 1 | 6 | 3.9 | CN(C(=O)Nc1ccn(-c2ccccc2F)n1)[C@H]1CC[C@]2(CC1)OC(=O)c1ccncc12 | 10.1016/j.bmcl.2012.02.098 | |||
| 56683705 | 65372 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 473 | 7 | 2 | 5 | 2.8 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CN2C(=O)CSc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2011.06.078 | |||
| CHEMBL1829322 | 65372 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 473 | 7 | 2 | 5 | 2.8 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CN2C(=O)CSc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2011.06.078 | |||
| 44139479 | 192701 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 374 | 3 | 1 | 4 | 3.9 | C[C@@H]1NC(c2cccc(C#N)c2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1021/jm900110t | |||
| CHEMBL521947 | 192701 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 374 | 3 | 1 | 4 | 3.9 | C[C@@H]1NC(c2cccc(C#N)c2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1021/jm900110t | |||
| 56666779 | 65376 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 441 | 7 | 2 | 4 | 3.1 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CN2CCCc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2012.01.117 | |||
| CHEMBL1829326 | 65376 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 441 | 7 | 2 | 4 | 3.1 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CN2CCCc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2012.01.117 | |||
| 22458813 | 200220 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 351 | 5 | 1 | 4 | 3.5 | CCn1c2ccccc2c2cc(NC(=O)CCN3CCOCC3)ccc21 | 10.1016/s0960-894x(03)00329-9 | |||
| CHEMBL59680 | 200220 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 351 | 5 | 1 | 4 | 3.5 | CCn1c2ccccc2c2cc(NC(=O)CCN3CCOCC3)ccc21 | 10.1016/s0960-894x(03)00329-9 | |||
| 57404430 | 73491 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 429 | 3 | 1 | 6 | 4.0 | CN(C(=O)Nc1cnc(-c2ccccc2)cn1)[C@H]1CC[C@@]2(CC1)OC(=O)c1ccncc12 | 10.1016/j.bmcl.2012.02.098 | |||
| CHEMBL2016740 | 73491 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 429 | 3 | 1 | 6 | 4.0 | CN(C(=O)Nc1cnc(-c2ccccc2)cn1)[C@H]1CC[C@@]2(CC1)OC(=O)c1ccncc12 | 10.1016/j.bmcl.2012.02.098 | |||
| 56666779 | 65376 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 441 | 7 | 2 | 4 | 3.1 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CN2CCCc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2011.06.078 | |||
| CHEMBL1829326 | 65376 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 441 | 7 | 2 | 4 | 3.1 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CN2CCCc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2011.06.078 | |||
| 56666777 | 65371 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 443 | 7 | 2 | 5 | 2.5 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CN2CCOc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2012.01.117 | |||
| CHEMBL1829321 | 65371 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 443 | 7 | 2 | 5 | 2.5 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CN2CCOc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2012.01.117 | |||
| 70687454 | 73302 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 459 | 7 | 2 | 6 | 2.7 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)Cn2c(=O)sc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2012.01.117 | |||
| CHEMBL2013010 | 73302 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 459 | 7 | 2 | 6 | 2.7 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)Cn2c(=O)sc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2012.01.117 | |||
| 70683225 | 73314 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 425 | 7 | 2 | 4 | 3.3 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)Cn2ccc3cccc(Cl)c32)CC1 | 10.1016/j.bmcl.2012.01.117 | |||
| CHEMBL2013022 | 73314 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 425 | 7 | 2 | 4 | 3.3 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)Cn2ccc3cccc(Cl)c32)CC1 | 10.1016/j.bmcl.2012.01.117 | |||
| 70681101 | 73317 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 427 | 7 | 2 | 4 | 2.9 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)Cn2ccc3cc(F)c(F)cc32)CC1 | 10.1016/j.bmcl.2012.01.117 | |||
| CHEMBL2013025 | 73317 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 427 | 7 | 2 | 4 | 2.9 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)Cn2ccc3cc(F)c(F)cc32)CC1 | 10.1016/j.bmcl.2012.01.117 | |||
| 57404430 | 73490 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 429 | 3 | 1 | 6 | 4.0 | CN(C(=O)Nc1cnc(-c2ccccc2)cn1)[C@H]1CC[C@]2(CC1)OC(=O)c1ccncc12 | 10.1016/j.bmcl.2012.02.098 | |||
| CHEMBL2016739 | 73490 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 429 | 3 | 1 | 6 | 4.0 | CN(C(=O)Nc1cnc(-c2ccccc2)cn1)[C@H]1CC[C@]2(CC1)OC(=O)c1ccncc12 | 10.1016/j.bmcl.2012.02.098 | |||
| 56683704 | 65370 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 457 | 7 | 2 | 5 | 2.1 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CN2C(=O)COc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2011.06.078 | |||
| CHEMBL1829320 | 65370 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 457 | 7 | 2 | 5 | 2.1 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CN2C(=O)COc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2011.06.078 | |||
| 44138706 | 186977 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 375 | 3 | 1 | 5 | 3.3 | C[C@@H]1NC(c2ccnc(C#N)c2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1021/jm900110t | |||
| CHEMBL490561 | 186977 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 375 | 3 | 1 | 5 | 3.3 | C[C@@H]1NC(c2ccnc(C#N)c2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1021/jm900110t | |||
| 44139234 | 193168 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 374 | 3 | 1 | 4 | 3.9 | C[C@@H]1NC(c2cc(C#N)ccn2)=NC1(c1ccc(F)cc1)c1ccc(F)cc1 | 10.1021/jm900110t | |||
| CHEMBL523134 | 193168 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 374 | 3 | 1 | 4 | 3.9 | C[C@@H]1NC(c2cc(C#N)ccn2)=NC1(c1ccc(F)cc1)c1ccc(F)cc1 | 10.1021/jm900110t | |||
| 70685315 | 73313 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 425 | 7 | 2 | 4 | 3.3 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)Cn2ccc3ccc(Cl)cc32)CC1 | 10.1016/j.bmcl.2012.01.117 | |||
| CHEMBL2013021 | 73313 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 425 | 7 | 2 | 4 | 3.3 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)Cn2ccc3ccc(Cl)cc32)CC1 | 10.1016/j.bmcl.2012.01.117 | |||
| 44139732 | 12698 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 387 | 4 | 1 | 6 | 3.2 | COc1ccc([C@]2(c3ccc(F)cc3)N=C(c3cc(C#N)ccn3)N[C@H]2C)cn1 | 10.1021/jm900110t | |||
| CHEMBL1187514 | 12698 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 387 | 4 | 1 | 6 | 3.2 | COc1ccc([C@]2(c3ccc(F)cc3)N=C(c3cc(C#N)ccn3)N[C@H]2C)cn1 | 10.1021/jm900110t | |||
| CHEMBL506163 | 12698 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 387 | 4 | 1 | 6 | 3.2 | COc1ccc([C@]2(c3ccc(F)cc3)N=C(c3cc(C#N)ccn3)N[C@H]2C)cn1 | 10.1021/jm900110t | |||
| 70693715 | 73308 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 455 | 7 | 2 | 4 | 3.4 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CN2CC(C)(C)c3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2012.01.117 | |||
| CHEMBL2013016 | 73308 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 455 | 7 | 2 | 4 | 3.4 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CN2CC(C)(C)c3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2012.01.117 | |||
| 10298415 | 166792 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 462 | 4 | 1 | 4 | 3.0 | CN(C(=O)NC1CCN(c2cc(Cl)cc(Cl)c2)CC1)C1CCN(S(C)(=O)=O)CC1 | 10.1016/j.bmcl.2007.11.132 | |||
| CHEMBL428423 | 166792 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 462 | 4 | 1 | 4 | 3.0 | CN(C(=O)NC1CCN(c2cc(Cl)cc(Cl)c2)CC1)C1CCN(S(C)(=O)=O)CC1 | 10.1016/j.bmcl.2007.11.132 | |||
| 9930778 | 55148 | 0 | None | 1 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 362 | 6 | 1 | 5 | 4.2 | CC(C)(C)OCCOc1ccc(-c2nc(-c3cccc(C#N)c3)c[nH]2)cn1 | 10.1021/jm025584p | |||
| CHEMBL161724 | 55148 | 0 | None | 1 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 362 | 6 | 1 | 5 | 4.2 | CC(C)(C)OCCOc1ccc(-c2nc(-c3cccc(C#N)c3)c[nH]2)cn1 | 10.1021/jm025584p | |||
| 9930778 | 55148 | 0 | None | 1 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 362 | 6 | 1 | 5 | 4.2 | CC(C)(C)OCCOc1ccc(-c2nc(-c3cccc(C#N)c3)c[nH]2)cn1 | 10.1016/j.bmcl.2012.02.098 | |||
| CHEMBL161724 | 55148 | 0 | None | 1 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 362 | 6 | 1 | 5 | 4.2 | CC(C)(C)OCCOc1ccc(-c2nc(-c3cccc(C#N)c3)c[nH]2)cn1 | 10.1016/j.bmcl.2012.02.098 | |||
| 70685316 | 73316 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 409 | 7 | 2 | 4 | 2.8 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)Cn2ccc3ccc(F)cc32)CC1 | 10.1016/j.bmcl.2012.01.117 | |||
| CHEMBL2013024 | 73316 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 409 | 7 | 2 | 4 | 2.8 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)Cn2ccc3ccc(F)cc32)CC1 | 10.1016/j.bmcl.2012.01.117 | |||
| 10159722 | 95085 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 429 | 4 | 1 | 3 | 3.1 | CN(C(=O)N[C@H]1CC[C@H](c2cc(F)cc(F)c2)CC1)C1CCN(S(C)(=O)=O)CC1 | 10.1016/j.bmcl.2007.11.132 | |||
| CHEMBL255353 | 95085 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 429 | 4 | 1 | 3 | 3.1 | CN(C(=O)N[C@H]1CC[C@H](c2cc(F)cc(F)c2)CC1)C1CCN(S(C)(=O)=O)CC1 | 10.1016/j.bmcl.2007.11.132 | |||
| CHEMBL4278700 | 213390 | 0 | None | -12 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O | 10.1021/acs.jmedchem.8b01046 | |||||
| 42630820 | 187078 | 10 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 375 | 3 | 1 | 5 | 3.3 | C[C@@H]1NC(c2cc(C#N)ccn2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1016/j.bmc.2009.05.069 | |||
| CHEMBL491288 | 187078 | 10 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 375 | 3 | 1 | 5 | 3.3 | C[C@@H]1NC(c2cc(C#N)ccn2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1016/j.bmc.2009.05.069 | |||
| CHEMBL4278700 | 213390 | 0 | None | -12 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O | 10.1021/acs.jmedchem.8b01046 | |||||
| 42630820 | 187078 | 10 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 375 | 3 | 1 | 5 | 3.3 | C[C@@H]1NC(c2cc(C#N)ccn2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1021/jm900110t | |||
| CHEMBL491288 | 187078 | 10 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 375 | 3 | 1 | 5 | 3.3 | C[C@@H]1NC(c2cc(C#N)ccn2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1021/jm900110t | |||
| 54141274 | 66617 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 475 | 7 | 3 | 6 | 4.6 | Nc1nc(NC[C@H]2CC[C@H](CNS(=O)(=O)c3ccc4ccccc4c3)CC2)nc2ccccc12 | 10.1016/j.bmcl.2011.06.124 | |||
| CHEMBL1836102 | 66617 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 475 | 7 | 3 | 6 | 4.6 | Nc1nc(NC[C@H]2CC[C@H](CNS(=O)(=O)c3ccc4ccccc4c3)CC2)nc2ccccc12 | 10.1016/j.bmcl.2011.06.124 | |||
| CHEMBL1852685 | 66617 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 475 | 7 | 3 | 6 | 4.6 | Nc1nc(NC[C@H]2CC[C@H](CNS(=O)(=O)c3ccc4ccccc4c3)CC2)nc2ccccc12 | 10.1016/j.bmcl.2011.06.124 | |||
| 44138709 | 186890 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 366 | 3 | 2 | 4 | 2.7 | C[C@@H]1NC(c2cccc(=O)[nH]2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1016/j.bmc.2009.05.069 | |||
| CHEMBL489726 | 186890 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 366 | 3 | 2 | 4 | 2.7 | C[C@@H]1NC(c2cccc(=O)[nH]2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1016/j.bmc.2009.05.069 | |||
| 44138709 | 186890 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 366 | 3 | 2 | 4 | 2.7 | C[C@@H]1NC(c2cccc(=O)[nH]2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1021/jm900110t | |||
| CHEMBL489726 | 186890 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 366 | 3 | 2 | 4 | 2.7 | C[C@@H]1NC(c2cccc(=O)[nH]2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1021/jm900110t | |||
| 10041217 | 101032 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 312 | 2 | 1 | 3 | 4.7 | CCn1c2ccccc2c2cc(-c3nc4ccc[nH]c-4n3)ccc21 | 10.1016/s0960-894x(03)00329-9 | |||
| CHEMBL294560 | 101032 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 312 | 2 | 1 | 3 | 4.7 | CCn1c2ccccc2c2cc(-c3nc4ccc[nH]c-4n3)ccc21 | 10.1016/s0960-894x(03)00329-9 | |||
| 70693714 | 73307 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 429 | 7 | 2 | 4 | 2.3 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CN2CCc3c2ccc(F)c3F)CC1 | 10.1016/j.bmcl.2012.01.117 | |||
| CHEMBL2013015 | 73307 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 429 | 7 | 2 | 4 | 2.3 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CN2CCc3c2ccc(F)c3F)CC1 | 10.1016/j.bmcl.2012.01.117 | |||
| 70693717 | 73310 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 391 | 7 | 2 | 4 | 2.6 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)Cn2ccc3ccccc32)CC1 | 10.1016/j.bmcl.2012.01.117 | |||
| CHEMBL2013018 | 73310 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 391 | 7 | 2 | 4 | 2.6 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)Cn2ccc3ccccc32)CC1 | 10.1016/j.bmcl.2012.01.117 | |||
| 10272799 | 155459 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 407 | 4 | 1 | 2 | 4.0 | CCC(=O)N1CCC(N(C)C(=O)N[C@H]2CC[C@H](c3cc(F)cc(F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.11.132 | |||
| CHEMBL403918 | 155459 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 407 | 4 | 1 | 2 | 4.0 | CCC(=O)N1CCC(N(C)C(=O)N[C@H]2CC[C@H](c3cc(F)cc(F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.11.132 | |||
| CHEMBL4279973 | 213401 | 0 | None | -10 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N(C)[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
| 10062681 | 111216 | 1 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 289 | 2 | 1 | 2 | 4.2 | FC(F)(F)c1cccc(-c2c[nH]c(-c3cccnc3)n2)c1 | 10.1016/s0960-894x(03)00747-9 | |||
| CHEMBL326483 | 111216 | 1 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 289 | 2 | 1 | 2 | 4.2 | FC(F)(F)c1cccc(-c2c[nH]c(-c3cccnc3)n2)c1 | 10.1016/s0960-894x(03)00747-9 | |||
| CHEMBL4279973 | 213401 | 0 | None | -10 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N(C)[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
| 11491176 | 200043 | 38 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 406 | 3 | 1 | 6 | 3.6 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ccn(-c4ccccc4F)n3)CC2)c2cnccc21 | 10.1016/j.bmcl.2012.02.098 | |||
| CHEMBL595573 | 200043 | 38 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 406 | 3 | 1 | 6 | 3.6 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ccn(-c4ccccc4F)n3)CC2)c2cnccc21 | 10.1016/j.bmcl.2012.02.098 | |||
| 44139478 | 186941 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 375 | 3 | 1 | 5 | 3.3 | C[C@@H]1NC(c2cc(C#N)ccn2)=N[C@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1021/jm900110t | |||
| CHEMBL490123 | 186941 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 375 | 3 | 1 | 5 | 3.3 | C[C@@H]1NC(c2cc(C#N)ccn2)=N[C@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1021/jm900110t | |||
| 9930778 | 55148 | 0 | None | -1 | 2 | Rat | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 362 | 6 | 1 | 5 | 4.2 | CC(C)(C)OCCOc1ccc(-c2nc(-c3cccc(C#N)c3)c[nH]2)cn1 | 10.1021/jm025584p | |||
| CHEMBL161724 | 55148 | 0 | None | -1 | 2 | Rat | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 362 | 6 | 1 | 5 | 4.2 | CC(C)(C)OCCOc1ccc(-c2nc(-c3cccc(C#N)c3)c[nH]2)cn1 | 10.1021/jm025584p | |||
| 70691635 | 73311 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 425 | 7 | 2 | 4 | 3.3 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)Cn2ccc3c(Cl)cccc32)CC1 | 10.1016/j.bmcl.2012.01.117 | |||
| CHEMBL2013019 | 73311 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 425 | 7 | 2 | 4 | 3.3 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)Cn2ccc3c(Cl)cccc32)CC1 | 10.1016/j.bmcl.2012.01.117 | |||
| 20647089 | 67821 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 397 | 12 | 2 | 6 | 3.0 | CCN(CC)S(=O)(=O)NCCCCCNc1nc(-c2ccccn2)cs1 | 10.1016/j.bmcl.2011.08.072 | |||
| CHEMBL1909727 | 67821 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 397 | 12 | 2 | 6 | 3.0 | CCN(CC)S(=O)(=O)NCCCCCNc1nc(-c2ccccn2)cs1 | 10.1016/j.bmcl.2011.08.072 | |||
| 56663345 | 65374 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 491 | 7 | 2 | 6 | 1.9 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CN2CCS(=O)(=O)c3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2011.06.078 | |||
| CHEMBL1829324 | 65374 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 491 | 7 | 2 | 6 | 1.9 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CN2CCS(=O)(=O)c3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2011.06.078 | |||
| 44138708 | 12631 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 384 | 3 | 1 | 4 | 4.1 | C[C@@H]1NC(c2cc(Cl)ccn2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1021/jm900110t | |||
| CHEMBL1187117 | 12631 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 384 | 3 | 1 | 4 | 4.1 | C[C@@H]1NC(c2cc(Cl)ccn2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1021/jm900110t | |||
| CHEMBL490903 | 12631 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 384 | 3 | 1 | 4 | 4.1 | C[C@@H]1NC(c2cc(Cl)ccn2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1021/jm900110t | |||
| 70693716 | 73309 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 407 | 8 | 2 | 4 | 2.4 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CCN2CCc3ccccc32)CC1 | 10.1016/j.bmcl.2012.01.117 | |||
| CHEMBL2013017 | 73309 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 407 | 8 | 2 | 4 | 2.4 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CCN2CCc3ccccc32)CC1 | 10.1016/j.bmcl.2012.01.117 | |||
| 10293988 | 95644 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 393 | 3 | 1 | 2 | 3.6 | CC(=O)N1CCC(N(C)C(=O)N[C@H]2CC[C@H](c3cc(F)cc(F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.11.132 | |||
| CHEMBL257940 | 95644 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 393 | 3 | 1 | 2 | 3.6 | CC(=O)N1CCC(N(C)C(=O)N[C@H]2CC[C@H](c3cc(F)cc(F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.11.132 | |||
| 20647101 | 68005 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 446 | 11 | 2 | 7 | 4.1 | COc1ccc(C)cc1S(=O)(=O)NCCCCCNc1nc(-c2ccccn2)cs1 | 10.1016/j.bmcl.2011.08.072 | |||
| CHEMBL1912082 | 68005 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 446 | 11 | 2 | 7 | 4.1 | COc1ccc(C)cc1S(=O)(=O)NCCCCCNc1nc(-c2ccccn2)cs1 | 10.1016/j.bmcl.2011.08.072 | |||
| 44138579 | 12632 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 350 | 3 | 1 | 4 | 3.4 | C[C@@H]1NC(c2cnccn2)=NC1(c1ccc(F)cc1)c1ccc(F)cc1 | 10.1021/jm900110t | |||
| CHEMBL1187124 | 12632 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 350 | 3 | 1 | 4 | 3.4 | C[C@@H]1NC(c2cnccn2)=NC1(c1ccc(F)cc1)c1ccc(F)cc1 | 10.1021/jm900110t | |||
| CHEMBL491119 | 12632 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 350 | 3 | 1 | 4 | 3.4 | C[C@@H]1NC(c2cnccn2)=NC1(c1ccc(F)cc1)c1ccc(F)cc1 | 10.1021/jm900110t | |||
| 10017062 | 202743 | 1 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 289 | 2 | 1 | 2 | 4.8 | CCn1c2ccccc2c2cc(-c3nc(C)c(C)[nH]3)ccc21 | 10.1016/s0960-894x(03)00329-9 | |||
| CHEMBL61934 | 202743 | 1 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 289 | 2 | 1 | 2 | 4.8 | CCn1c2ccccc2c2cc(-c3nc(C)c(C)[nH]3)ccc21 | 10.1016/s0960-894x(03)00329-9 | |||
| CHEMBL4276961 | 213368 | 0 | None | -1000 | 4 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O | 10.1021/acs.jmedchem.8b01046 | |||||
| 70689521 | 73486 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 420 | 3 | 1 | 4 | 4.8 | CN(C(=O)Nc1ccn(-c2ccccc2F)n1)[C@H]1CC[C@]2(CC1)OCc1ccccc12 | 10.1016/j.bmcl.2012.02.098 | |||
| CHEMBL2016735 | 73486 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 420 | 3 | 1 | 4 | 4.8 | CN(C(=O)Nc1ccn(-c2ccccc2F)n1)[C@H]1CC[C@]2(CC1)OCc1ccccc12 | 10.1016/j.bmcl.2012.02.098 | |||
| 76321859 | 105720 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 428 | 5 | 1 | 3 | 4.3 | CCN1CCN([C@H]2CC[C@@H](C(=O)Nc3ccc(-c4cc(F)cc(F)c4)cn3)CC2)C1=O | 10.1016/j.bmcl.2014.02.023 | |||
| CHEMBL3126050 | 105720 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 428 | 5 | 1 | 3 | 4.3 | CCN1CCN([C@H]2CC[C@@H](C(=O)Nc3ccc(-c4cc(F)cc(F)c4)cn3)CC2)C1=O | 10.1016/j.bmcl.2014.02.023 | |||
| 70693713 | 73303 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 409 | 7 | 2 | 6 | 1.6 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)Cn2c(=O)oc3ccccc32)CC1 | 10.1016/j.bmcl.2012.01.117 | |||
| CHEMBL2013011 | 73303 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 409 | 7 | 2 | 6 | 1.6 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)Cn2c(=O)oc3ccccc32)CC1 | 10.1016/j.bmcl.2012.01.117 | |||
| 10970274 | 120075 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 354 | 3 | 2 | 3 | 4.0 | O=C(Nc1cc(-c2ccncc2)[nH]n1)C1Cc2ccc3ccccc3c2C1 | 10.1021/jm025513q | |||
| CHEMBL350690 | 120075 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 354 | 3 | 2 | 3 | 4.0 | O=C(Nc1cc(-c2ccncc2)[nH]n1)C1Cc2ccc3ccccc3c2C1 | 10.1021/jm025513q | |||
| 21336489 | 79496 | 0 | None | 1737 | 2 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 441 | 8 | 3 | 4 | 3.7 | Nc1ccccc1S(=O)(=O)NC[C@H]1CC[C@H](CNCC2CCc3ccccc3C2)CC1 | 10.1016/s0960-894x(02)00287-1 | |||
| CHEMBL2113711 | 79496 | 0 | None | 1737 | 2 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 441 | 8 | 3 | 4 | 3.7 | Nc1ccccc1S(=O)(=O)NC[C@H]1CC[C@H](CNCC2CCc3ccccc3C2)CC1 | 10.1016/s0960-894x(02)00287-1 | |||
| 21336507 | 189692 | 0 | None | 1288 | 2 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 490 | 8 | 2 | 3 | 5.7 | O=S(=O)(NC[C@H]1CC[C@H](CNCc2ccc3ccccc3c2)CC1)c1ccccc1C(F)(F)F | 10.1016/s0960-894x(02)00287-1 | |||
| CHEMBL51542 | 189692 | 0 | None | 1288 | 2 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 490 | 8 | 2 | 3 | 5.7 | O=S(=O)(NC[C@H]1CC[C@H](CNCc2ccc3ccccc3c2)CC1)c1ccccc1C(F)(F)F | 10.1016/s0960-894x(02)00287-1 | |||
| CHEMBL4285633 | 213457 | 0 | None | -39 | 3 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCNC(=N)N)CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
| CHEMBL4287469 | 213470 | 0 | None | -1 | 3 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C)CC(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
| CHEMBL4288294 | 213478 | 0 | None | -15 | 4 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N(C)[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
| CHEMBL4277697 | 213376 | 0 | None | -25 | 4 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
| CHEMBL4281120 | 213414 | 0 | None | -3 | 4 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
| CHEMBL4290488 | 213496 | 0 | None | -1 | 4 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N(CCCNC(=N)N)CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
| 164626032 | 186534 | 0 | None | -1000 | 2 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 976 | 33 | 19 | 13 | -3.4 | CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)NC(=O)NCCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/acs.jmedchem.1c01574 | |||
| CHEMBL4877802 | 186534 | 0 | None | -1000 | 2 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 976 | 33 | 19 | 13 | -3.4 | CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)NC(=O)NCCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/acs.jmedchem.1c01574 | |||
| 10020909 | 101852 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 352 | 3 | 1 | 3 | 5.6 | CCn1c2ccccc2c2cc(-c3nc(C)c(-c4ccccn4)[nH]3)ccc21 | 10.1016/s0960-894x(03)00329-9 | |||
| CHEMBL300543 | 101852 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 352 | 3 | 1 | 3 | 5.6 | CCn1c2ccccc2c2cc(-c3nc(C)c(-c4ccccn4)[nH]3)ccc21 | 10.1016/s0960-894x(03)00329-9 | |||
| 44294762 | 101526 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 496 | 8 | 3 | 5 | 4.7 | O=C(NC[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1)Nc1cccc2ccccc12 | 10.1016/s0960-894x(02)00288-3 | |||
| CHEMBL298168 | 101526 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 496 | 8 | 3 | 5 | 4.7 | O=C(NC[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1)Nc1cccc2ccccc12 | 10.1016/s0960-894x(02)00288-3 | |||
| 20647087 | 67990 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 394 | 9 | 2 | 6 | 3.2 | O=S(=O)(NCCCCCNc1nc(-c2ccccn2)cs1)C(F)(F)F | 10.1016/j.bmcl.2011.08.072 | |||
| CHEMBL1912067 | 67990 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 394 | 9 | 2 | 6 | 3.2 | O=S(=O)(NCCCCCNc1nc(-c2ccccn2)cs1)C(F)(F)F | 10.1016/j.bmcl.2011.08.072 | |||
| 22458796 | 100740 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 335 | 5 | 1 | 3 | 4.2 | CCn1c2ccccc2c2cc(NC(=O)CCN3CCCC3)ccc21 | 10.1016/s0960-894x(03)00329-9 | |||
| CHEMBL292729 | 100740 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 335 | 5 | 1 | 3 | 4.2 | CCn1c2ccccc2c2cc(NC(=O)CCN3CCCC3)ccc21 | 10.1016/s0960-894x(03)00329-9 | |||
| 70687474 | 73494 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 456 | 4 | 1 | 5 | 5.1 | CCN(C(=O)Nc1cnc(-c2ccccc2)cn1)[C@H]1CC[C@@]2(CC1)Cc1ccccc1C(=O)O2 | 10.1016/j.bmcl.2012.02.098 | |||
| CHEMBL2016743 | 73494 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 456 | 4 | 1 | 5 | 5.1 | CCN(C(=O)Nc1cnc(-c2ccccc2)cn1)[C@H]1CC[C@@]2(CC1)Cc1ccccc1C(=O)O2 | 10.1016/j.bmcl.2012.02.098 | |||
| 136000676 | 62788 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 384 | 3 | 2 | 4 | 2.9 | C[C@@H]1NC(c2c[nH]c(=O)c(F)c2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1016/j.bmc.2009.05.069 | |||
| CHEMBL1784123 | 62788 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 384 | 3 | 2 | 4 | 2.9 | C[C@@H]1NC(c2c[nH]c(=O)c(F)c2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1016/j.bmc.2009.05.069 | |||
| 21336511 | 191147 | 0 | None | 323 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 476 | 8 | 2 | 3 | 5.3 | O=S(=O)(NC[C@H]1CC[C@H](CNCC2CCc3ccccc3C2)CC1)c1cccc2ccccc12 | 10.1016/s0960-894x(02)00287-1 | |||
| CHEMBL51884 | 191147 | 0 | None | 323 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 476 | 8 | 2 | 3 | 5.3 | O=S(=O)(NC[C@H]1CC[C@H](CNCC2CCc3ccccc3C2)CC1)c1cccc2ccccc12 | 10.1016/s0960-894x(02)00287-1 | |||
| 57392816 | 68001 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 408 | 10 | 2 | 6 | 4.0 | O=S(=O)(NCCCCCNc1nc(-c2ccccn2)cs1)C1CCCCC1 | 10.1016/j.bmcl.2011.08.072 | |||
| CHEMBL1912078 | 68001 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 408 | 10 | 2 | 6 | 4.0 | O=S(=O)(NCCCCCNc1nc(-c2ccccn2)cs1)C1CCCCC1 | 10.1016/j.bmcl.2011.08.072 | |||
| 56683706 | 65378 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 431 | 8 | 2 | 5 | 2.6 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NCCN2CCOc3cc(F)c(F)cc32)CC1 | 10.1016/j.bmcl.2011.06.078 | |||
| CHEMBL1829328 | 65378 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 431 | 8 | 2 | 5 | 2.6 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NCCN2CCOc3cc(F)c(F)cc32)CC1 | 10.1016/j.bmcl.2011.06.078 | |||
| 57403258 | 68007 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 406 | 10 | 2 | 8 | 2.5 | Cn1cnc(S(=O)(=O)NCCCCCNc2nc(-c3ccccn3)cs2)c1 | 10.1016/j.bmcl.2011.08.072 | |||
| CHEMBL1912084 | 68007 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 406 | 10 | 2 | 8 | 2.5 | Cn1cnc(S(=O)(=O)NCCCCCNc2nc(-c3ccccn3)cs2)c1 | 10.1016/j.bmcl.2011.08.072 | |||
| CHEMBL2110365 | 209213 | 4 | None | -426 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@H]1CCC(=O)NC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](N)[C@@H](C)CC)CCC(=O)NC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@@H]2CCCN2C1=O | 10.1021/jm010031k | |||||
| 44345744 | 113965 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 339 | 2 | 1 | 2 | 5.6 | Clc1ccc(-c2c[nH]c(-c3nccc4ccccc34)n2)cc1Cl | 10.1016/s0960-894x(03)00747-9 | |||
| CHEMBL332598 | 113965 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 339 | 2 | 1 | 2 | 5.6 | Clc1ccc(-c2c[nH]c(-c3nccc4ccccc34)n2)cc1Cl | 10.1016/s0960-894x(03)00747-9 | |||
| CHEMBL2440183 | 210474 | 0 | None | -4 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H]1[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@H]1C(=O)OC)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm4008505 | |||||
| 46209585 | 67991 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 368 | 10 | 2 | 6 | 3.1 | CC(C)S(=O)(=O)NCCCCCNc1nc(-c2ccccn2)cs1 | 10.1016/j.bmcl.2011.08.072 | |||
| CHEMBL1912068 | 67991 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 368 | 10 | 2 | 6 | 3.1 | CC(C)S(=O)(=O)NCCCCCNc1nc(-c2ccccn2)cs1 | 10.1016/j.bmcl.2011.08.072 | |||
| 10247746 | 102726 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 357 | 4 | 1 | 4 | 3.8 | CCn1c(=O)c2ccc(NC(=O)Cc3ccncc3)cc2c2ccccc21 | 10.1016/s0960-894x(03)00329-9 | |||
| CHEMBL304896 | 102726 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 357 | 4 | 1 | 4 | 3.8 | CCn1c(=O)c2ccc(NC(=O)Cc3ccncc3)cc2c2ccccc21 | 10.1016/s0960-894x(03)00329-9 | |||
| 46912327 | 105719 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 428 | 4 | 1 | 3 | 4.3 | CN1CCCN([C@H]2CC[C@@H](C(=O)Nc3ccc(-c4cc(F)cc(F)c4)cn3)CC2)C1=O | 10.1016/j.bmcl.2014.02.023 | |||
| CHEMBL3126049 | 105719 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 428 | 4 | 1 | 3 | 4.3 | CN1CCCN([C@H]2CC[C@@H](C(=O)Nc3ccc(-c4cc(F)cc(F)c4)cn3)CC2)C1=O | 10.1016/j.bmcl.2014.02.023 | |||
| 10435289 | 170983 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 480 | 8 | 2 | 5 | 4.5 | O=S(=O)(NC[C@H]1CC[C@H](CNCc2ccc3c(c2)OCCO3)CC1)c1cccc2ccccc12 | 10.1016/s0960-894x(02)00288-3 | |||
| CHEMBL445613 | 170983 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 480 | 8 | 2 | 5 | 4.5 | O=S(=O)(NC[C@H]1CC[C@H](CNCc2ccc3c(c2)OCCO3)CC1)c1cccc2ccccc12 | 10.1016/s0960-894x(02)00288-3 | |||
| 70689510 | 73320 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 391 | 7 | 3 | 3 | 2.7 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)Cc2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2012.01.117 | |||
| CHEMBL2013028 | 73320 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 391 | 7 | 3 | 3 | 2.7 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)Cc2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2012.01.117 | |||
| 11078256 | 52312 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 337 | 3 | 2 | 2 | 4.1 | O=C(Nc1cc(-c2cccc(Cl)c2)n[nH]1)C1Cc2ccccc2C1 | 10.1021/jm025513q | |||
| CHEMBL158940 | 52312 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 337 | 3 | 2 | 2 | 4.1 | O=C(Nc1cc(-c2cccc(Cl)c2)n[nH]1)C1Cc2ccccc2C1 | 10.1021/jm025513q | |||
| 44294942 | 186527 | 0 | None | 58 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 446 | 11 | 2 | 3 | 5.6 | O=S(=O)(NCCCCCCNCc1ccc2ccccc2c1)c1ccc2ccccc2c1 | 10.1016/s0960-894x(02)00287-1 | |||
| CHEMBL48777 | 186527 | 0 | None | 58 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 446 | 11 | 2 | 3 | 5.6 | O=S(=O)(NCCCCCCNCc1ccc2ccccc2c1)c1ccc2ccccc2c1 | 10.1016/s0960-894x(02)00287-1 | |||
| CHEMBL4280392 | 213406 | 0 | None | -100 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N(C)[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
| 44350924 | 168988 | 0 | None | -234 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 2220 | 73 | 32 | 30 | -7.4 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CCCCCNC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC | 10.1021/acs.jmedchem.8b01046 | |||
| 91929378 | 168988 | 0 | None | -234 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 2220 | 73 | 32 | 30 | -7.4 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CCCCCNC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC | 10.1021/acs.jmedchem.8b01046 | |||
| CHEMBL439122 | 168988 | 0 | None | -234 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 2220 | 73 | 32 | 30 | -7.4 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CCCCCNC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC | 10.1021/acs.jmedchem.8b01046 | |||
| CHEMBL4280898 | 213410 | 0 | None | -2 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N(CC(=O)O)Cc1ccc(O)cc1)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
| CHEMBL4283257 | 213437 | 0 | None | -645 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
| CHEMBL4289416 | 213486 | 0 | None | -8 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCNC(=N)N)CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
| CHEMBL4291705 | 213510 | 0 | None | -1 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NC)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
| 10045322 | 62517 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 380 | 3 | 1 | 5 | 2.7 | C[C@@H]1NC(c2ccc(=O)n(C)c2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1016/j.bmc.2009.05.069 | |||
| CHEMBL1782077 | 62517 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 380 | 3 | 1 | 5 | 2.7 | C[C@@H]1NC(c2ccc(=O)n(C)c2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1016/j.bmc.2009.05.069 | |||
| 10202875 | 95084 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 428 | 4 | 1 | 4 | 2.4 | CN(C(=O)NC1CCN(c2cccc(Cl)c2)CC1)C1CCN(S(C)(=O)=O)CC1 | 10.1016/j.bmcl.2007.11.132 | |||
| CHEMBL255352 | 95084 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 428 | 4 | 1 | 4 | 2.4 | CN(C(=O)NC1CCN(c2cccc(Cl)c2)CC1)C1CCN(S(C)(=O)=O)CC1 | 10.1016/j.bmcl.2007.11.132 | |||
| CHEMBL4280392 | 213406 | 0 | None | -100 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N(C)[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
| 20610118 | 155404 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 428 | 4 | 1 | 4 | 2.4 | CN(C(=O)NC1CCN(c2ccc(Cl)cc2)CC1)C1CCN(S(C)(=O)=O)CC1 | 10.1016/j.bmcl.2007.11.132 | |||
| CHEMBL403622 | 155404 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 428 | 4 | 1 | 4 | 2.4 | CN(C(=O)NC1CCN(c2ccc(Cl)cc2)CC1)C1CCN(S(C)(=O)=O)CC1 | 10.1016/j.bmcl.2007.11.132 | |||
| 44350924 | 168988 | 0 | None | -234 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 2220 | 73 | 32 | 30 | -7.4 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CCCCCNC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC | 10.1021/acs.jmedchem.8b01046 | |||
| 91929378 | 168988 | 0 | None | -234 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 2220 | 73 | 32 | 30 | -7.4 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CCCCCNC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC | 10.1021/acs.jmedchem.8b01046 | |||
| CHEMBL439122 | 168988 | 0 | None | -234 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 2220 | 73 | 32 | 30 | -7.4 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CCCCCNC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC | 10.1021/acs.jmedchem.8b01046 | |||
| CHEMBL4280898 | 213410 | 0 | None | -2 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N(CC(=O)O)Cc1ccc(O)cc1)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
| CHEMBL4283257 | 213437 | 0 | None | -645 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
| CHEMBL4289416 | 213486 | 0 | None | -8 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCNC(=N)N)CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
| CHEMBL4291705 | 213510 | 0 | None | -1 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NC)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
| 2226619 | 202735 | 10 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 306 | 2 | 1 | 2 | 4.3 | CCn1c2ccccc2c2cc(NC(=O)C(F)(F)F)ccc21 | 10.1016/s0960-894x(03)00329-9 | |||
| CHEMBL61879 | 202735 | 10 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 306 | 2 | 1 | 2 | 4.3 | CCn1c2ccccc2c2cc(NC(=O)C(F)(F)F)ccc21 | 10.1016/s0960-894x(03)00329-9 | |||
| 44345803 | 117300 | 1 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 235 | 2 | 1 | 2 | 3.4 | Cc1cccc(-c2c[nH]c(-c3cccnc3)n2)c1 | 10.1016/s0960-894x(03)00747-9 | |||
| CHEMBL339652 | 117300 | 1 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 235 | 2 | 1 | 2 | 3.4 | Cc1cccc(-c2c[nH]c(-c3cccnc3)n2)c1 | 10.1016/s0960-894x(03)00747-9 | |||
| 56673734 | 65381 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 429 | 8 | 2 | 5 | 3.0 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NCCN2CCOc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2011.06.078 | |||
| CHEMBL1829331 | 65381 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 429 | 8 | 2 | 5 | 3.0 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NCCN2CCOc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2011.06.078 | |||
| 9886706 | 178642 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 390 | 1 | 1 | 4 | 5.3 | O=C1CC2(CCC2)CC(O)=C1C1C2=C(CC3(CCC3)CC2=O)Oc2ccccc21 | 10.1021/jm8003587 | |||
| CHEMBL467558 | 178642 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 390 | 1 | 1 | 4 | 5.3 | O=C1CC2(CCC2)CC(O)=C1C1C2=C(CC3(CCC3)CC2=O)Oc2ccccc21 | 10.1021/jm8003587 | |||
| 1202745 | 189002 | 2 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 366 | 1 | 1 | 4 | 5.0 | CC1(C)CC(=O)C([C@H]2C3=C(CC(C)(C)CC3=O)Oc3ccccc32)=C(O)C1 | 10.1021/jm8003587 | |||
| CHEMBL508770 | 189002 | 2 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 366 | 1 | 1 | 4 | 5.0 | CC1(C)CC(=O)C([C@H]2C3=C(CC(C)(C)CC3=O)Oc3ccccc32)=C(O)C1 | 10.1021/jm8003587 | |||
| 9806472 | 161991 | 0 | None | 257 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 476 | 8 | 2 | 3 | 5.3 | O=S(=O)(NC[C@H]1CC[C@H](CNCC2CCc3ccccc3C2)CC1)c1ccc2ccccc2c1 | 10.1016/s0960-894x(02)00287-1 | |||
| CHEMBL415926 | 161991 | 0 | None | 257 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 476 | 8 | 2 | 3 | 5.3 | O=S(=O)(NC[C@H]1CC[C@H](CNCC2CCc3ccccc3C2)CC1)c1ccc2ccccc2c1 | 10.1016/s0960-894x(02)00287-1 | |||
| 21336493 | 189207 | 0 | None | 1698 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 468 | 9 | 2 | 6 | 4.0 | O=[N+]([O-])c1ccccc1S(=O)(=O)NC[C@H]1CC[C@H](CNCc2ccc3ccccc3n2)CC1 | 10.1016/s0960-894x(02)00287-1 | |||
| CHEMBL51138 | 189207 | 0 | None | 1698 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 468 | 9 | 2 | 6 | 4.0 | O=[N+]([O-])c1ccccc1S(=O)(=O)NC[C@H]1CC[C@H](CNCc2ccc3ccccc3n2)CC1 | 10.1016/s0960-894x(02)00287-1 | |||
| 127031281 | 139206 | 0 | None | -104 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 1789 | 59 | 29 | 21 | -2.0 | CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCCCCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN/C(N)=N/C(=O)NCCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/acs.jmedchem.6b00309 | |||
| CHEMBL3785569 | 139206 | 0 | None | -104 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 1789 | 59 | 29 | 21 | -2.0 | CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCCCCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN/C(N)=N/C(=O)NCCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/acs.jmedchem.6b00309 | |||
| CHEMBL3787712 | 139206 | 0 | None | -104 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 1789 | 59 | 29 | 21 | -2.0 | CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCCCCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN/C(N)=N/C(=O)NCCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/acs.jmedchem.6b00309 | |||
| 12250898 | 110542 | 1 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 221 | 2 | 1 | 2 | 3.1 | c1ccc(-c2c[nH]c(-c3ccccn3)n2)cc1 | 10.1016/s0960-894x(03)00747-9 | |||
| CHEMBL325171 | 110542 | 1 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 221 | 2 | 1 | 2 | 3.1 | c1ccc(-c2c[nH]c(-c3ccccn3)n2)cc1 | 10.1016/s0960-894x(03)00747-9 | |||
| 44138575 | 187036 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 373 | 3 | 2 | 5 | 2.5 | C[C@@H]1NC(c2cc(C#N)ccn2)=N[C@@]1(c1ccc(F)cc1)c1ccc(=O)[nH]c1 | 10.1021/jm900110t | |||
| CHEMBL490901 | 187036 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 373 | 3 | 2 | 5 | 2.5 | C[C@@H]1NC(c2cc(C#N)ccn2)=N[C@@]1(c1ccc(F)cc1)c1ccc(=O)[nH]c1 | 10.1021/jm900110t | |||
| 44345940 | 15583 | 1 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 281 | 4 | 1 | 4 | 3.2 | COc1ccc(-c2c[nH]c(-c3cccnc3)n2)cc1OC | 10.1016/s0960-894x(03)00747-9 | |||
| CHEMBL122120 | 15583 | 1 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 281 | 4 | 1 | 4 | 3.2 | COc1ccc(-c2c[nH]c(-c3cccnc3)n2)cc1OC | 10.1016/s0960-894x(03)00747-9 | |||
| 9858246 | 101077 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 320 | 2 | 1 | 2 | 4.9 | CC(C)n1c2ccccc2c2cc(NC(=O)C(F)(F)F)ccc21 | 10.1016/s0960-894x(03)00329-9 | |||
| CHEMBL294842 | 101077 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 320 | 2 | 1 | 2 | 4.9 | CC(C)n1c2ccccc2c2cc(NC(=O)C(F)(F)F)ccc21 | 10.1016/s0960-894x(03)00329-9 | |||
| 10450609 | 102281 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 351 | 3 | 1 | 2 | 6.2 | CCn1c2ccccc2c2cc(-c3nc(C)c(-c4ccccc4)[nH]3)ccc21 | 10.1016/s0960-894x(03)00329-9 | |||
| CHEMBL303325 | 102281 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 351 | 3 | 1 | 2 | 6.2 | CCn1c2ccccc2c2cc(-c3nc(C)c(-c4ccccc4)[nH]3)ccc21 | 10.1016/s0960-894x(03)00329-9 | |||
| 10245014 | 162793 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 312 | 2 | 1 | 3 | 4.7 | CCn1c2ccccc2c2cc(-c3nc4cc[nH]cc-4n3)ccc21 | 10.1016/s0960-894x(03)00329-9 | |||
| CHEMBL417225 | 162793 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 312 | 2 | 1 | 3 | 4.7 | CCn1c2ccccc2c2cc(-c3nc4cc[nH]cc-4n3)ccc21 | 10.1016/s0960-894x(03)00329-9 | |||
| CHEMBL4279794 | 213399 | 0 | None | -63 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
| CHEMBL4287140 | 213468 | 0 | None | -10 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
| 20647122 | 67988 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 354 | 10 | 2 | 6 | 2.7 | CCS(=O)(=O)NCCCCCNc1nc(-c2ccccn2)cs1 | 10.1016/j.bmcl.2011.08.072 | |||
| CHEMBL1912065 | 67988 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 354 | 10 | 2 | 6 | 2.7 | CCS(=O)(=O)NCCCCCNc1nc(-c2ccccn2)cs1 | 10.1016/j.bmcl.2011.08.072 | |||
| 57399737 | 67998 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 374 | 9 | 2 | 7 | 3.0 | Cc1nc(C)c(-c2csc(NCCCCCNS(C)(=O)=O)n2)s1 | 10.1016/j.bmcl.2011.08.072 | |||
| CHEMBL1912075 | 67998 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 374 | 9 | 2 | 7 | 3.0 | Cc1nc(C)c(-c2csc(NCCCCCNS(C)(=O)=O)n2)s1 | 10.1016/j.bmcl.2011.08.072 | |||
| 155524657 | 170989 | 0 | None | -2754 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 1705 | 55 | 30 | 22 | -4.0 | CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](N)CCCC[C@@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/acs.jmedchem.6b00309 | |||
| CHEMBL4456247 | 170989 | 0 | None | -2754 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 1705 | 55 | 30 | 22 | -4.0 | CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](N)CCCC[C@@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/acs.jmedchem.6b00309 | |||
| 44294740 | 101549 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 470 | 11 | 3 | 5 | 4.4 | O=C(NCCCCCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])Nc1cccc2ccccc12 | 10.1016/s0960-894x(02)00288-3 | |||
| CHEMBL298342 | 101549 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 470 | 11 | 3 | 5 | 4.4 | O=C(NCCCCCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])Nc1cccc2ccccc12 | 10.1016/s0960-894x(02)00288-3 | |||
| 12250900 | 111318 | 1 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 221 | 2 | 1 | 2 | 3.1 | c1ccc(-c2c[nH]c(-c3ccncc3)n2)cc1 | 10.1016/s0960-894x(03)00747-9 | |||
| CHEMBL326736 | 111318 | 1 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 221 | 2 | 1 | 2 | 3.1 | c1ccc(-c2c[nH]c(-c3ccncc3)n2)cc1 | 10.1016/s0960-894x(03)00747-9 | |||
| CHEMBL4283846 | 213443 | 0 | None | -3 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](CO)Cc1ccc(O)cc1)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
| 57391020 | 68008 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 434 | 10 | 2 | 8 | 3.1 | Cc1nn(C)c(C)c1S(=O)(=O)NCCCCCNc1nc(-c2ccccn2)cs1 | 10.1016/j.bmcl.2011.08.072 | |||
| CHEMBL1912085 | 68008 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 434 | 10 | 2 | 8 | 3.1 | Cc1nn(C)c(C)c1S(=O)(=O)NCCCCCNc1nc(-c2ccccn2)cs1 | 10.1016/j.bmcl.2011.08.072 | |||
| 10384590 | 200492 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 371 | 4 | 1 | 4 | 4.3 | CC(C)n1c(=O)c2ccc(NC(=O)Cc3ccncc3)cc2c2ccccc21 | 10.1016/s0960-894x(03)00329-9 | |||
| CHEMBL59866 | 200492 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 371 | 4 | 1 | 4 | 4.3 | CC(C)n1c(=O)c2ccc(NC(=O)Cc3ccncc3)cc2c2ccccc21 | 10.1016/s0960-894x(03)00329-9 | |||
| 10332613 | 114441 | 3 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 255 | 2 | 1 | 2 | 3.8 | Clc1ccc(-c2c[nH]c(-c3cccnc3)n2)cc1 | 10.1016/s0960-894x(03)00747-9 | |||
| CHEMBL333310 | 114441 | 3 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 255 | 2 | 1 | 2 | 3.8 | Clc1ccc(-c2c[nH]c(-c3cccnc3)n2)cc1 | 10.1016/s0960-894x(03)00747-9 | |||
| CHEMBL4279794 | 213399 | 0 | None | -63 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
| CHEMBL4287140 | 213468 | 0 | None | -10 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
| 70695681 | 78355 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 383 | 7 | 3 | 3 | 3.9 | O=C(O)CCc1cccc(CC(=O)Nc2cc(-c3ccc(Cl)cc3)n[nH]2)c1 | 10.1021/jm025513q | |||
| CHEMBL2110162 | 78355 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 383 | 7 | 3 | 3 | 3.9 | O=C(O)CCc1cccc(CC(=O)Nc2cc(-c3ccc(Cl)cc3)n[nH]2)c1 | 10.1021/jm025513q | |||
| CHEMBL4283846 | 213443 | 0 | None | -3 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](CO)Cc1ccc(O)cc1)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
| 10160875 | 95396 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 446 | 4 | 1 | 4 | 2.5 | CN(C(=O)NC1CCN(c2ccc(F)c(Cl)c2)CC1)C1CCN(S(C)(=O)=O)CC1 | 10.1016/j.bmcl.2007.11.132 | |||
| CHEMBL256885 | 95396 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 446 | 4 | 1 | 4 | 2.5 | CN(C(=O)NC1CCN(c2ccc(F)c(Cl)c2)CC1)C1CCN(S(C)(=O)=O)CC1 | 10.1016/j.bmcl.2007.11.132 | |||
| 20610116 | 98023 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 436 | 5 | 1 | 5 | 1.9 | CC(=O)c1cccc(N2CCC(NC(=O)N(C)C3CCN(S(C)(=O)=O)CC3)CC2)c1 | 10.1016/j.bmcl.2007.11.132 | |||
| CHEMBL272964 | 98023 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 436 | 5 | 1 | 5 | 1.9 | CC(=O)c1cccc(N2CCC(NC(=O)N(C)C3CCN(S(C)(=O)=O)CC3)CC2)c1 | 10.1016/j.bmcl.2007.11.132 | |||
| CHEMBL2440192 | 210481 | 0 | None | -32 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(C)C)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](N)Cc1ccc(O)cc1 | 10.1021/jm4008505 | |||||
| 24950710 | 178815 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 418 | 1 | 1 | 4 | 6.1 | O=C1CC2(CCCC2)CC(O)=C1C1C2=C(CC3(CCCC3)CC2=O)Oc2ccccc21 | 10.1021/jm8003587 | |||
| CHEMBL469173 | 178815 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 418 | 1 | 1 | 4 | 6.1 | O=C1CC2(CCCC2)CC(O)=C1C1C2=C(CC3(CCCC3)CC2=O)Oc2ccccc21 | 10.1021/jm8003587 | |||
| CHEMBL4540843 | 213993 | 19 | None | -18 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/acs.jmedchem.1c01574 | |||||
| 21336500 | 101674 | 0 | None | 190 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 500 | 10 | 3 | 4 | 4.8 | O=S(=O)(NC[C@H]1CC[C@H](CNC(CO)Cc2ccc(Cl)cc2)CC1)c1cccc2ccccc12 | 10.1016/s0960-894x(02)00287-1 | |||
| CHEMBL299295 | 101674 | 0 | None | 190 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 500 | 10 | 3 | 4 | 4.8 | O=S(=O)(NC[C@H]1CC[C@H](CNC(CO)Cc2ccc(Cl)cc2)CC1)c1cccc2ccccc12 | 10.1016/s0960-894x(02)00287-1 | |||
| CHEMBL4540843 | 213993 | 19 | None | -18 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/acs.jmedchem.1c01574 | |||||
| 57394524 | 67824 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 424 | 10 | 2 | 7 | 1.9 | CN1CCN(S(=O)(=O)NCCCCCNc2nc(-c3ccccn3)cs2)CC1 | 10.1016/j.bmcl.2011.08.072 | |||
| CHEMBL1909730 | 67824 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 424 | 10 | 2 | 7 | 1.9 | CN1CCN(S(=O)(=O)NCCCCCNc2nc(-c3ccccn3)cs2)CC1 | 10.1016/j.bmcl.2011.08.072 | |||
| 57392815 | 67993 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 345 | 9 | 2 | 6 | 3.0 | CS(=O)(=O)NCCCCCNc1nc(-c2cccs2)cs1 | 10.1016/j.bmcl.2011.08.072 | |||
| CHEMBL1912070 | 67993 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 345 | 9 | 2 | 6 | 3.0 | CS(=O)(=O)NCCCCCNc1nc(-c2cccs2)cs1 | 10.1016/j.bmcl.2011.08.072 | |||
| 56663346 | 65377 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 413 | 8 | 2 | 5 | 2.5 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NCCN2CCOc3ccc(F)cc32)CC1 | 10.1016/j.bmcl.2011.06.078 | |||
| CHEMBL1829327 | 65377 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 413 | 8 | 2 | 5 | 2.5 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NCCN2CCOc3ccc(F)cc32)CC1 | 10.1016/j.bmcl.2011.06.078 | |||
| 57399726 | 67813 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 383 | 10 | 2 | 7 | 2.8 | Cc1nccnc1-c1csc(NCCCCCNS(=O)(=O)C(C)C)n1 | 10.1016/j.bmcl.2011.08.072 | |||
| CHEMBL1909719 | 67813 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 383 | 10 | 2 | 7 | 2.8 | Cc1nccnc1-c1csc(NCCCCCNS(=O)(=O)C(C)C)n1 | 10.1016/j.bmcl.2011.08.072 | |||
| 70685340 | 73489 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 449 | 3 | 1 | 6 | 4.0 | CN(C(=O)Nc1ccn(-c2ccccc2F)n1)[C@H]1CC[C@@]2(CC1)Cc1cnccc1C(=O)O2 | 10.1016/j.bmcl.2012.02.098 | |||
| CHEMBL2016738 | 73489 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 449 | 3 | 1 | 6 | 4.0 | CN(C(=O)Nc1ccn(-c2ccccc2F)n1)[C@H]1CC[C@@]2(CC1)Cc1cnccc1C(=O)O2 | 10.1016/j.bmcl.2012.02.098 | |||
| 20647107 | 68009 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 421 | 10 | 2 | 8 | 3.4 | Cc1noc(C)c1S(=O)(=O)NCCCCCNc1nc(-c2ccccn2)cs1 | 10.1016/j.bmcl.2011.08.072 | |||
| CHEMBL1912086 | 68009 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 421 | 10 | 2 | 8 | 3.4 | Cc1noc(C)c1S(=O)(=O)NCCCCCNc1nc(-c2ccccn2)cs1 | 10.1016/j.bmcl.2011.08.072 | |||
| 44345818 | 13729 | 1 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 269 | 2 | 1 | 2 | 4.1 | Cc1[nH]c(-c2cccnc2)nc1-c1cccc(Cl)c1 | 10.1016/s0960-894x(03)00747-9 | |||
| CHEMBL119507 | 13729 | 1 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 269 | 2 | 1 | 2 | 4.1 | Cc1[nH]c(-c2cccnc2)nc1-c1cccc(Cl)c1 | 10.1016/s0960-894x(03)00747-9 | |||
| 56683702 | 65364 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 481 | 7 | 2 | 5 | 3.3 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CN2C(=O)CC(C)(C)Sc3ccccc32)CC1 | 10.1016/j.bmcl.2011.06.078 | |||
| CHEMBL1829314 | 65364 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 481 | 7 | 2 | 5 | 3.3 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CN2C(=O)CC(C)(C)Sc3ccccc32)CC1 | 10.1016/j.bmcl.2011.06.078 | |||
| 56677038 | 65361 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 453 | 6 | 2 | 5 | 2.5 | CC1(C)CC(=O)N(CC(=O)N[C@H]2CC[C@H](CNS(C)(=O)=O)CC2)c2ccccc2S1 | 10.1016/j.bmcl.2011.06.078 | |||
| CHEMBL1829311 | 65361 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 453 | 6 | 2 | 5 | 2.5 | CC1(C)CC(=O)N(CC(=O)N[C@H]2CC[C@H](CNS(C)(=O)=O)CC2)c2ccccc2S1 | 10.1016/j.bmcl.2011.06.078 | |||
| 12260207 | 178722 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 338 | 1 | 1 | 4 | 4.2 | CC1CC(=O)C(C2C3=C(CC(C)CC3=O)Oc3ccccc32)=C(O)C1 | 10.1021/jm8003587 | |||
| CHEMBL468414 | 178722 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 338 | 1 | 1 | 4 | 4.2 | CC1CC(=O)C(C2C3=C(CC(C)CC3=O)Oc3ccccc32)=C(O)C1 | 10.1021/jm8003587 | |||
| 11475091 | 178554 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 400 | 1 | 1 | 4 | 5.7 | CC1(C)CC(=O)C(C2C3=C(CC(C)(C)CC3=O)Oc3ccc(Cl)cc32)=C(O)C1 | 10.1021/jm8003587 | |||
| CHEMBL466946 | 178554 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 400 | 1 | 1 | 4 | 5.7 | CC1(C)CC(=O)C(C2C3=C(CC(C)(C)CC3=O)Oc3ccc(Cl)cc32)=C(O)C1 | 10.1021/jm8003587 | |||
| 44295007 | 101747 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 633 | 12 | 3 | 5 | 4.9 | Cc1ccc(S(=O)(=O)NC(Cc2ccccc2)C(=O)NC[C@H]2CC[C@H](CNS(=O)(=O)c3ccc4ccccc4c3)CC2)cc1 | 10.1016/s0960-894x(02)00288-3 | |||
| CHEMBL299742 | 101747 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 633 | 12 | 3 | 5 | 4.9 | Cc1ccc(S(=O)(=O)NC(Cc2ccccc2)C(=O)NC[C@H]2CC[C@H](CNS(=O)(=O)c3ccc4ccccc4c3)CC2)cc1 | 10.1016/s0960-894x(02)00288-3 | |||
| CHEMBL4289021 | 213483 | 0 | None | -7 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
| CHEMBL4290615 | 213497 | 0 | None | -1 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N(C)[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
| CHEMBL4282168 | 213429 | 0 | None | -630 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c1ccccc1N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
| 57399727 | 67816 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 425 | 9 | 2 | 6 | 4.4 | CC(C)S(=O)(=O)NCCCCCNc1nc2c(s1)CCSc1ccccc1-2 | 10.1016/j.bmcl.2011.08.072 | |||
| CHEMBL1909722 | 67816 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 425 | 9 | 2 | 6 | 4.4 | CC(C)S(=O)(=O)NCCCCCNc1nc2c(s1)CCSc1ccccc1-2 | 10.1016/j.bmcl.2011.08.072 | |||
| 46913706 | 105711 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 413 | 4 | 1 | 3 | 4.5 | O=C1CCCCN1[C@H]1CC[C@@H](C(=O)Nc2ccc(-c3cc(F)cc(F)c3)cn2)CC1 | 10.1016/j.bmcl.2014.02.023 | |||
| CHEMBL3126041 | 105711 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 413 | 4 | 1 | 3 | 4.5 | O=C1CCCCN1[C@H]1CC[C@@H](C(=O)Nc2ccc(-c3cc(F)cc(F)c3)cn2)CC1 | 10.1016/j.bmcl.2014.02.023 | |||
| 9946965 | 193072 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 360 | 3 | 1 | 4 | 3.5 | N#Cc1ccnc(C2=NC(c3ccc(F)cc3)(c3ccc(F)cc3)CN2)c1 | 10.1021/jm900110t | |||
| CHEMBL522456 | 193072 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 360 | 3 | 1 | 4 | 3.5 | N#Cc1ccnc(C2=NC(c3ccc(F)cc3)(c3ccc(F)cc3)CN2)c1 | 10.1021/jm900110t | |||
| 44139602 | 193275 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 357 | 3 | 1 | 6 | 2.9 | C[C@@H]1NC(c2cnsn2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1021/jm900110t | |||
| CHEMBL523945 | 193275 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 357 | 3 | 1 | 6 | 2.9 | C[C@@H]1NC(c2cnsn2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1021/jm900110t | |||
| 70687457 | 73321 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 405 | 7 | 2 | 4 | 2.7 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)Cc2cn(C)c3ccccc23)CC1 | 10.1016/j.bmcl.2012.01.117 | |||
| CHEMBL2013029 | 73321 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 405 | 7 | 2 | 4 | 2.7 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)Cc2cn(C)c3ccccc23)CC1 | 10.1016/j.bmcl.2012.01.117 | |||
| 10112931 | 95050 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 421 | 5 | 1 | 2 | 4.4 | CCCC(=O)N1CCC(N(C)C(=O)N[C@H]2CC[C@H](c3cc(F)cc(F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.11.132 | |||
| CHEMBL255147 | 95050 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 421 | 5 | 1 | 2 | 4.4 | CCCC(=O)N1CCC(N(C)C(=O)N[C@H]2CC[C@H](c3cc(F)cc(F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.11.132 | |||
| 1504 | 2807 | 8 | None | -9 | 10 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm4008505 | |||||
| 1518 | 2807 | 8 | None | -9 | 10 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm4008505 | |||||
| 1521 | 2807 | 8 | None | -9 | 10 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm4008505 | |||||
| 24868177 | 2807 | 8 | None | -9 | 10 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm4008505 | |||||
| 44288922 | 2807 | 8 | None | -9 | 10 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm4008505 | |||||
| 77068007 | 2807 | 8 | None | -9 | 10 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm4008505 | |||||
| 90479759 | 2807 | 8 | None | -9 | 10 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm4008505 | |||||
| CHEMBL438945 | 2807 | 8 | None | -9 | 10 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm4008505 | |||||
| 44139601 | 193249 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 351 | 3 | 1 | 5 | 2.8 | C[C@@H]1NC(c2cnccn2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1021/jm900110t | |||
| CHEMBL523776 | 193249 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 351 | 3 | 1 | 5 | 2.8 | C[C@@H]1NC(c2cnccn2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1021/jm900110t | |||
| 70687455 | 73315 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 409 | 7 | 2 | 4 | 2.8 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)Cn2ccc3cc(F)ccc32)CC1 | 10.1016/j.bmcl.2012.01.117 | |||
| CHEMBL2013023 | 73315 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 409 | 7 | 2 | 4 | 2.8 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)Cn2ccc3cc(F)ccc32)CC1 | 10.1016/j.bmcl.2012.01.117 | |||
| CHEMBL429531 | 213537 | 15 | None | -27 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/jm010031k | |||||
| 70683239 | 73488 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 448 | 3 | 1 | 5 | 4.6 | CN(C(=O)Nc1ccn(-c2ccccc2F)n1)[C@H]1CC[C@@]2(CC1)Cc1ccccc1C(=O)O2 | 10.1016/j.bmcl.2012.02.098 | |||
| CHEMBL2016737 | 73488 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 448 | 3 | 1 | 5 | 4.6 | CN(C(=O)Nc1ccn(-c2ccccc2F)n1)[C@H]1CC[C@@]2(CC1)Cc1ccccc1C(=O)O2 | 10.1016/j.bmcl.2012.02.098 | |||
| 9887225 | 187148 | 3 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 400 | 2 | 1 | 5 | 3.8 | O=C1OC2(CCN(C(=O)Nc3cnc(-c4ccccc4)cn3)CC2)c2ccccc21 | 10.1021/jm900110t | |||
| CHEMBL491930 | 187148 | 3 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 400 | 2 | 1 | 5 | 3.8 | O=C1OC2(CCN(C(=O)Nc3cnc(-c4ccccc4)cn3)CC2)c2ccccc21 | 10.1021/jm900110t | |||
| 10112931 | 95050 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 421 | 5 | 1 | 2 | 4.4 | CCCC(=O)N1CCC(N(C)C(=O)N[C@H]2CC[C@H](c3cc(F)cc(F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.11.132 | |||
| CHEMBL255147 | 95050 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 421 | 5 | 1 | 2 | 4.4 | CCCC(=O)N1CCC(N(C)C(=O)N[C@H]2CC[C@H](c3cc(F)cc(F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.11.132 | |||
| 44139599 | 187037 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 380 | 4 | 1 | 5 | 3.4 | COc1ccnc(C2=N[C@@](c3ccc(F)cc3)(c3ccc(F)nc3)[C@H](C)N2)c1 | 10.1021/jm900110t | |||
| CHEMBL490902 | 187037 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 380 | 4 | 1 | 5 | 3.4 | COc1ccnc(C2=N[C@@](c3ccc(F)cc3)(c3ccc(F)nc3)[C@H](C)N2)c1 | 10.1021/jm900110t | |||
| 44138581 | 187142 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 427 | 4 | 1 | 5 | 3.4 | C[C@@H]1NC(c2cccc(S(C)(=O)=O)c2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1021/jm900110t | |||
| CHEMBL491894 | 187142 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 427 | 4 | 1 | 5 | 3.4 | C[C@@H]1NC(c2cccc(S(C)(=O)=O)c2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1021/jm900110t | |||
| 10155282 | 198884 | 1 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 357 | 6 | 2 | 3 | 4.5 | CCn1c2ccccc2c2cc(NC(=O)CNCc3ccccc3)ccc21 | 10.1016/s0960-894x(03)00329-9 | |||
| CHEMBL58424 | 198884 | 1 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 357 | 6 | 2 | 3 | 4.5 | CCn1c2ccccc2c2cc(NC(=O)CNCc3ccccc3)ccc21 | 10.1016/s0960-894x(03)00329-9 | |||
| 54580489 | 62705 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 380 | 3 | 2 | 4 | 3.0 | Cc1ccc(C2=N[C@@](c3ccc(F)cc3)(c3ccc(F)nc3)[C@H](C)N2)[nH]c1=O | 10.1016/j.bmc.2009.05.069 | |||
| CHEMBL1783923 | 62705 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 380 | 3 | 2 | 4 | 3.0 | Cc1ccc(C2=N[C@@](c3ccc(F)cc3)(c3ccc(F)nc3)[C@H](C)N2)[nH]c1=O | 10.1016/j.bmc.2009.05.069 | |||
| 44138577 | 193125 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 388 | 4 | 1 | 4 | 4.3 | CC[C@@H]1NC(c2cc(C#N)ccn2)=NC1(c1ccc(F)cc1)c1ccc(F)cc1 | 10.1021/jm900110t | |||
| CHEMBL522793 | 193125 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 388 | 4 | 1 | 4 | 4.3 | CC[C@@H]1NC(c2cc(C#N)ccn2)=NC1(c1ccc(F)cc1)c1ccc(F)cc1 | 10.1021/jm900110t | |||
| 10202456 | 95428 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 422 | 4 | 1 | 3 | 3.2 | CC(C)C(=O)N1CCC(N(C)C(=O)NC2CCN(c3cc(F)cc(F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.11.132 | |||
| CHEMBL257022 | 95428 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 422 | 4 | 1 | 3 | 3.2 | CC(C)C(=O)N1CCC(N(C)C(=O)NC2CCN(c3cc(F)cc(F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.11.132 | |||
| 10047509 | 62795 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 416 | 4 | 1 | 5 | 3.6 | C[C@@H]1NC(c2ccc(=O)n(C(F)F)c2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1016/j.bmc.2009.05.069 | |||
| CHEMBL1784130 | 62795 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 416 | 4 | 1 | 5 | 3.6 | C[C@@H]1NC(c2ccc(=O)n(C(F)F)c2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1016/j.bmc.2009.05.069 | |||
| 10046270 | 62796 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 396 | 4 | 1 | 6 | 2.3 | COn1cc(C2=N[C@@](c3ccc(F)cc3)(c3ccc(F)nc3)[C@H](C)N2)ccc1=O | 10.1016/j.bmc.2009.05.069 | |||
| CHEMBL1784131 | 62796 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 396 | 4 | 1 | 6 | 2.3 | COn1cc(C2=N[C@@](c3ccc(F)cc3)(c3ccc(F)nc3)[C@H](C)N2)ccc1=O | 10.1016/j.bmc.2009.05.069 | |||
| 10275303 | 95577 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 444 | 5 | 1 | 4 | 2.4 | CCS(=O)(=O)N1CCC(N(C)C(=O)NC2CCN(c3cc(F)cc(F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.11.132 | |||
| CHEMBL257707 | 95577 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 444 | 5 | 1 | 4 | 2.4 | CCS(=O)(=O)N1CCC(N(C)C(=O)NC2CCN(c3cc(F)cc(F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.11.132 | |||
| 11729353 | 52280 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 413 | 5 | 2 | 4 | 4.6 | COc1ccc(-c2cc(NC(=O)C3Cc4ccc5ccccc5c4C3)[nH]n2)cc1OC | 10.1021/jm025513q | |||
| CHEMBL158913 | 52280 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 413 | 5 | 2 | 4 | 4.6 | COc1ccc(-c2cc(NC(=O)C3Cc4ccc5ccccc5c4C3)[nH]n2)cc1OC | 10.1021/jm025513q | |||
| 10363209 | 62792 | 1 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 394 | 4 | 1 | 5 | 3.2 | CCn1cc(C2=N[C@@](c3ccc(F)cc3)(c3ccc(F)nc3)[C@H](C)N2)ccc1=O | 10.1016/j.bmc.2009.05.069 | |||
| CHEMBL1784127 | 62792 | 1 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 394 | 4 | 1 | 5 | 3.2 | CCn1cc(C2=N[C@@](c3ccc(F)cc3)(c3ccc(F)nc3)[C@H](C)N2)ccc1=O | 10.1016/j.bmc.2009.05.069 | |||
| CHEMBL439904 | 213854 | 13 | None | -50 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1016/j.bmcl.2006.10.007 | |||||
| 44577739 | 189391 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 422 | 5 | 1 | 4 | 6.6 | CCC1(CC)CC(=O)C(C2C3=C(CC(CC)(CC)CC3=O)Oc3ccccc32)=C(O)C1 | 10.1021/jm8003587 | |||
| CHEMBL512996 | 189391 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 422 | 5 | 1 | 4 | 6.6 | CCC1(CC)CC(=O)C(C2C3=C(CC(CC)(CC)CC3=O)Oc3ccccc32)=C(O)C1 | 10.1021/jm8003587 | |||
| 10223183 | 155573 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 408 | 4 | 1 | 4 | 2.0 | Cc1cccc(N2CCC(NC(=O)N(C)C3CCN(S(C)(=O)=O)CC3)CC2)c1 | 10.1016/j.bmcl.2007.11.132 | |||
| CHEMBL404398 | 155573 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 408 | 4 | 1 | 4 | 2.0 | Cc1cccc(N2CCC(NC(=O)N(C)C3CCN(S(C)(=O)=O)CC3)CC2)c1 | 10.1016/j.bmcl.2007.11.132 | |||
| CHEMBL4289021 | 213483 | 0 | None | -7 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
| CHEMBL4290615 | 213497 | 0 | None | -1 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N(C)[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
| 56659886 | 65362 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 467 | 7 | 2 | 5 | 2.9 | CCS(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CN2C(=O)CC(C)(C)Sc3ccccc32)CC1 | 10.1016/j.bmcl.2011.06.078 | |||
| CHEMBL1829312 | 65362 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 467 | 7 | 2 | 5 | 2.9 | CCS(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CN2C(=O)CC(C)(C)Sc3ccccc32)CC1 | 10.1016/j.bmcl.2011.06.078 | |||
| CHEMBL4282168 | 213429 | 0 | None | -630 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c1ccccc1N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
| 9922187 | 100984 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 295 | 4 | 1 | 3 | 3.3 | CCn1c2ccccc2c2cc(NC(=O)CN(C)C)ccc21 | 10.1016/s0960-894x(03)00329-9 | |||
| CHEMBL294286 | 100984 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 295 | 4 | 1 | 3 | 3.3 | CCn1c2ccccc2c2cc(NC(=O)CN(C)C)ccc21 | 10.1016/s0960-894x(03)00329-9 | |||
| 44345949 | 14549 | 3 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 255 | 2 | 1 | 2 | 3.8 | Clc1ccccc1-c1c[nH]c(-c2cccnc2)n1 | 10.1016/s0960-894x(03)00747-9 | |||
| CHEMBL120332 | 14549 | 3 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 255 | 2 | 1 | 2 | 3.8 | Clc1ccccc1-c1c[nH]c(-c2cccnc2)n1 | 10.1016/s0960-894x(03)00747-9 | |||
| 56677039 | 65367 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 423 | 7 | 2 | 5 | 1.4 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CN2C(=O)COc3ccccc32)CC1 | 10.1016/j.bmcl.2011.06.078 | |||
| CHEMBL1829317 | 65367 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 423 | 7 | 2 | 5 | 1.4 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CN2C(=O)COc3ccccc32)CC1 | 10.1016/j.bmcl.2011.06.078 | |||
| 44345638 | 110152 | 1 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 305 | 3 | 1 | 3 | 4.0 | FC(F)(F)Oc1ccc(-c2c[nH]c(-c3cccnc3)n2)cc1 | 10.1016/s0960-894x(03)00747-9 | |||
| CHEMBL323658 | 110152 | 1 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 305 | 3 | 1 | 3 | 4.0 | FC(F)(F)Oc1ccc(-c2c[nH]c(-c3cccnc3)n2)cc1 | 10.1016/s0960-894x(03)00747-9 | |||
| 56670210 | 65363 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 479 | 7 | 2 | 5 | 3.1 | CC1(C)CC(=O)N(CC(=O)N[C@H]2CC[C@H](CNS(=O)(=O)C3CC3)CC2)c2ccccc2S1 | 10.1016/j.bmcl.2011.06.078 | |||
| CHEMBL1829313 | 65363 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 479 | 7 | 2 | 5 | 3.1 | CC1(C)CC(=O)N(CC(=O)N[C@H]2CC[C@H](CNS(=O)(=O)C3CC3)CC2)c2ccccc2S1 | 10.1016/j.bmcl.2011.06.078 | |||
| 85472343 | 172302 | 0 | None | -338 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 1705 | 55 | 30 | 22 | -4.0 | CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CCCC[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/acs.jmedchem.6b00309 | |||
| CHEMBL4475071 | 172302 | 0 | None | -338 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 1705 | 55 | 30 | 22 | -4.0 | CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CCCC[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/acs.jmedchem.6b00309 | |||
| 23397122 | 201755 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 323 | 4 | 1 | 4 | 2.7 | CCn1c(=O)c2cc(NC(=O)CN(C)C)ccc2c2ccccc21 | 10.1016/s0960-894x(03)00329-9 | |||
| CHEMBL60667 | 201755 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 323 | 4 | 1 | 4 | 2.7 | CCn1c(=O)c2cc(NC(=O)CN(C)C)ccc2c2ccccc21 | 10.1016/s0960-894x(03)00329-9 | |||
| 24950555 | 178774 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 396 | 2 | 1 | 5 | 5.0 | COc1cccc2c1OC1=C(C(=O)CC(C)(C)C1)C2C1=C(O)CC(C)(C)CC1=O | 10.1021/jm8003587 | |||
| CHEMBL468847 | 178774 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 396 | 2 | 1 | 5 | 5.0 | COc1cccc2c1OC1=C(C(=O)CC(C)(C)C1)C2C1=C(O)CC(C)(C)CC1=O | 10.1021/jm8003587 | |||
| 70685339 | 73484 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 434 | 3 | 1 | 5 | 4.5 | CN(C(=O)Nc1ccn(-c2ccccc2F)n1)[C@H]1CC[C@@]2(CC1)OC(=O)c1ccccc12 | 10.1016/j.bmcl.2012.02.098 | |||
| CHEMBL2016733 | 73484 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 434 | 3 | 1 | 5 | 4.5 | CN(C(=O)Nc1ccn(-c2ccccc2F)n1)[C@H]1CC[C@@]2(CC1)OC(=O)c1ccccc12 | 10.1016/j.bmcl.2012.02.098 | |||
| 127030359 | 139207 | 0 | None | -186 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 1845 | 61 | 29 | 21 | -1.5 | CCC(=O)NCCCCNC(=O)/N=C(\N)NCCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCCCCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/acs.jmedchem.6b00309 | |||
| CHEMBL3787528 | 139207 | 0 | None | -186 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 1845 | 61 | 29 | 21 | -1.5 | CCC(=O)NCCCCNC(=O)/N=C(\N)NCCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCCCCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/acs.jmedchem.6b00309 | |||
| CHEMBL3787713 | 139207 | 0 | None | -186 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 1845 | 61 | 29 | 21 | -1.5 | CCC(=O)NCCCCNC(=O)/N=C(\N)NCCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCCCCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/acs.jmedchem.6b00309 | |||
| CHEMBL4535525 | 139207 | 0 | None | -186 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 1845 | 61 | 29 | 21 | -1.5 | CCC(=O)NCCCCNC(=O)/N=C(\N)NCCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCCCCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/acs.jmedchem.6b00309 | |||
| 155561620 | 175650 | 0 | None | -18 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 1590 | 51 | 25 | 19 | -1.2 | CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCCCCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/acs.jmedchem.6b00309 | |||
| CHEMBL4581256 | 175650 | 0 | None | -18 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 1590 | 51 | 25 | 19 | -1.2 | CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCCCCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/acs.jmedchem.6b00309 | |||
| 56659887 | 65366 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 499 | 7 | 2 | 6 | 2.5 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CN2CCC(C)(C)S(=O)(=O)c3ccccc32)CC1 | 10.1016/j.bmcl.2011.06.078 | |||
| CHEMBL1829316 | 65366 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 499 | 7 | 2 | 6 | 2.5 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CN2CCC(C)(C)S(=O)(=O)c3ccccc32)CC1 | 10.1016/j.bmcl.2011.06.078 | |||
| 44345719 | 113787 | 1 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 227 | 2 | 1 | 2 | 3.5 | c1cncc(-c2nc(C3CCCCC3)c[nH]2)c1 | 10.1016/s0960-894x(03)00747-9 | |||
| CHEMBL332381 | 113787 | 1 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 227 | 2 | 1 | 2 | 3.5 | c1cncc(-c2nc(C3CCCCC3)c[nH]2)c1 | 10.1016/s0960-894x(03)00747-9 | |||
| 21336486 | 101348 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 475 | 10 | 3 | 3 | 5.7 | O=C(NCCCCCCNS(=O)(=O)c1cccc2ccccc12)Nc1cccc2ccccc12 | 10.1016/s0960-894x(02)00288-3 | |||
| CHEMBL296906 | 101348 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 475 | 10 | 3 | 3 | 5.7 | O=C(NCCCCCCNS(=O)(=O)c1cccc2ccccc12)Nc1cccc2ccccc12 | 10.1016/s0960-894x(02)00288-3 | |||
| 70695858 | 73495 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 510 | 4 | 1 | 5 | 5.6 | O=C1O[C@]2(CC[C@@H](N(CC(F)(F)F)C(=O)Nc3cnc(-c4ccccc4)cn3)CC2)Cc2ccccc21 | 10.1016/j.bmcl.2012.02.098 | |||
| CHEMBL2016744 | 73495 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 510 | 4 | 1 | 5 | 5.6 | O=C1O[C@]2(CC[C@@H](N(CC(F)(F)F)C(=O)Nc3cnc(-c4ccccc4)cn3)CC2)Cc2ccccc21 | 10.1016/j.bmcl.2012.02.098 | |||
| 44283143 | 161698 | 0 | None | -1023 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 2361 | 75 | 32 | 32 | -6.3 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](CSSC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)[C@@H](C)CC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)CN[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)CN[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/jm010031k | |||
| 91931648 | 161698 | 0 | None | -1023 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 2361 | 75 | 32 | 32 | -6.3 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](CSSC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)[C@@H](C)CC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)CN[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)CN[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/jm010031k | |||
| CHEMBL413455 | 161698 | 0 | None | -1023 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 2361 | 75 | 32 | 32 | -6.3 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](CSSC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)[C@@H](C)CC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)CN[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)CN[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/jm010031k | |||
| 24950871 | 178529 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 446 | 1 | 1 | 4 | 6.9 | O=C1CC2(CCCCC2)CC(O)=C1C1C2=C(CC3(CCCCC3)CC2=O)Oc2ccccc21 | 10.1021/jm8003587 | |||
| CHEMBL466756 | 178529 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 446 | 1 | 1 | 4 | 6.9 | O=C1CC2(CCCCC2)CC(O)=C1C1C2=C(CC3(CCCCC3)CC2=O)Oc2ccccc21 | 10.1021/jm8003587 | |||
| 57391019 | 68003 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 543 | 12 | 2 | 8 | 4.5 | O=C(OCc1ccccc1)N1CCC(S(=O)(=O)NCCCCCNc2nc(-c3ccccn3)cs2)CC1 | 10.1016/j.bmcl.2011.08.072 | |||
| CHEMBL1912080 | 68003 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 543 | 12 | 2 | 8 | 4.5 | O=C(OCc1ccccc1)N1CCC(S(=O)(=O)NCCCCCNc2nc(-c3ccccn3)cs2)CC1 | 10.1016/j.bmcl.2011.08.072 | |||
| CHEMBL4294277 | 213530 | 0 | None | -10 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
| 9907999 | 164868 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 382 | 4 | 2 | 3 | 4.5 | CCc1cc(-c2cc(NC(=O)C3Cc4ccc5ccccc5c4C3)[nH]n2)ccn1 | 10.1021/jm025513q | |||
| CHEMBL422012 | 164868 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 382 | 4 | 2 | 3 | 4.5 | CCc1cc(-c2cc(NC(=O)C3Cc4ccc5ccccc5c4C3)[nH]n2)ccn1 | 10.1021/jm025513q | |||
| CHEMBL4294277 | 213530 | 0 | None | -10 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
| 57396288 | 67996 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 3.9 | O=S(=O)(CC1CCCC1)NCCCCCNc1nc(-c2ccccn2)cs1 | 10.1016/j.bmcl.2011.08.072 | |||
| CHEMBL1912073 | 67996 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 3.9 | O=S(=O)(CC1CCCC1)NCCCCCNc1nc(-c2ccccn2)cs1 | 10.1016/j.bmcl.2011.08.072 | |||
| CHEMBL4282216 | 213430 | 0 | None | -39 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CN(C(=N)N)C[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
| CHEMBL4282216 | 213430 | 0 | None | -39 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CN(C(=N)N)C[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
| 21336503 | 191069 | 0 | None | 549 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 490 | 8 | 2 | 3 | 5.7 | O=S(=O)(NC[C@H]1CC[C@H](CNCc2cccc3ccccc23)CC1)c1ccccc1C(F)(F)F | 10.1016/s0960-894x(02)00287-1 | |||
| CHEMBL51874 | 191069 | 0 | None | 549 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 490 | 8 | 2 | 3 | 5.7 | O=S(=O)(NC[C@H]1CC[C@H](CNCc2cccc3ccccc23)CC1)c1ccccc1C(F)(F)F | 10.1016/s0960-894x(02)00287-1 | |||
| 11130476 | 54932 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 303 | 3 | 2 | 2 | 3.4 | O=C(Nc1cc(-c2ccccc2)[nH]n1)C1Cc2ccccc2C1 | 10.1021/jm025513q | |||
| CHEMBL161398 | 54932 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 303 | 3 | 2 | 2 | 3.4 | O=C(Nc1cc(-c2ccccc2)[nH]n1)C1Cc2ccccc2C1 | 10.1021/jm025513q | |||
| 44345971 | 14462 | 1 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 289 | 2 | 1 | 2 | 4.2 | FC(F)(F)c1ccccc1-c1c[nH]c(-c2cccnc2)n1 | 10.1016/s0960-894x(03)00747-9 | |||
| CHEMBL120117 | 14462 | 1 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 289 | 2 | 1 | 2 | 4.2 | FC(F)(F)c1ccccc1-c1c[nH]c(-c2cccnc2)n1 | 10.1016/s0960-894x(03)00747-9 | |||
| 56673731 | 65359 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 482 | 7 | 2 | 5 | 2.4 | CN(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CN2C(=O)CC(C)(C)Sc3ccccc32)CC1 | 10.1016/j.bmcl.2011.06.078 | |||
| CHEMBL1829309 | 65359 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 482 | 7 | 2 | 5 | 2.4 | CN(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CN2C(=O)CC(C)(C)Sc3ccccc32)CC1 | 10.1016/j.bmcl.2011.06.078 | |||
| 10223847 | 155554 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 419 | 4 | 1 | 5 | 1.6 | CN(C(=O)NC1CCN(c2cccc(C#N)c2)CC1)C1CCN(S(C)(=O)=O)CC1 | 10.1016/j.bmcl.2007.11.132 | |||
| CHEMBL404304 | 155554 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 419 | 4 | 1 | 5 | 1.6 | CN(C(=O)NC1CCN(c2cccc(C#N)c2)CC1)C1CCN(S(C)(=O)=O)CC1 | 10.1016/j.bmcl.2007.11.132 | |||
| 57398084 | 68002 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 409 | 10 | 3 | 7 | 2.5 | O=S(=O)(NCCCCCNc1nc(-c2ccccn2)cs1)C1CCNCC1 | 10.1016/j.bmcl.2011.08.072 | |||
| CHEMBL1912079 | 68002 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 409 | 10 | 3 | 7 | 2.5 | O=S(=O)(NCCCCCNc1nc(-c2ccccn2)cs1)C1CCNCC1 | 10.1016/j.bmcl.2011.08.072 | |||
| 54584448 | 62707 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 380 | 3 | 2 | 4 | 3.0 | Cc1ccc(=O)[nH]c1C1=N[C@@](c2ccc(F)cc2)(c2ccc(F)nc2)[C@H](C)N1 | 10.1016/j.bmc.2009.05.069 | |||
| CHEMBL1783925 | 62707 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 380 | 3 | 2 | 4 | 3.0 | Cc1ccc(=O)[nH]c1C1=N[C@@](c2ccc(F)cc2)(c2ccc(F)nc2)[C@H](C)N1 | 10.1016/j.bmc.2009.05.069 | |||
| 21336495 | 102024 | 0 | None | 1737 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 468 | 9 | 2 | 6 | 4.0 | O=[N+]([O-])c1ccccc1S(=O)(=O)NC[C@H]1CC[C@H](CNCc2ccnc3ccccc23)CC1 | 10.1016/s0960-894x(02)00287-1 | |||
| CHEMBL301747 | 102024 | 0 | None | 1737 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 468 | 9 | 2 | 6 | 4.0 | O=[N+]([O-])c1ccccc1S(=O)(=O)NC[C@H]1CC[C@H](CNCc2ccnc3ccccc23)CC1 | 10.1016/s0960-894x(02)00287-1 | |||
| 127029975 | 139216 | 0 | None | -56 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 1675 | 55 | 28 | 20 | -1.9 | CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCCCCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/acs.jmedchem.6b00309 | |||
| CHEMBL3785576 | 139216 | 0 | None | -56 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 1675 | 55 | 28 | 20 | -1.9 | CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCCCCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/acs.jmedchem.6b00309 | |||
| CHEMBL3787766 | 139216 | 0 | None | -56 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 1675 | 55 | 28 | 20 | -1.9 | CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCCCCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/acs.jmedchem.6b00309 | |||
| 24950556 | 189471 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 384 | 1 | 1 | 4 | 5.1 | CC1(C)CC(=O)C(C2C3=C(CC(C)(C)CC3=O)Oc3cc(F)ccc32)=C(O)C1 | 10.1021/jm8003587 | |||
| CHEMBL513701 | 189471 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 384 | 1 | 1 | 4 | 5.1 | CC1(C)CC(=O)C(C2C3=C(CC(C)(C)CC3=O)Oc3cc(F)ccc32)=C(O)C1 | 10.1021/jm8003587 | |||
| 57398069 | 67817 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 370 | 10 | 2 | 7 | 2.0 | CC(C)S(=O)(=O)NCCOCCNc1nc(-c2ccccn2)cs1 | 10.1016/j.bmcl.2011.08.072 | |||
| CHEMBL1909723 | 67817 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 370 | 10 | 2 | 7 | 2.0 | CC(C)S(=O)(=O)NCCOCCNc1nc(-c2ccccn2)cs1 | 10.1016/j.bmcl.2011.08.072 | |||
| 76332712 | 105713 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 415 | 4 | 1 | 4 | 4.4 | C[C@@H]1CN([C@H]2CC[C@@H](C(=O)Nc3ccc(-c4cc(F)cc(F)c4)cn3)CC2)C(=O)O1 | 10.1016/j.bmcl.2014.02.023 | |||
| CHEMBL3126043 | 105713 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 415 | 4 | 1 | 4 | 4.4 | C[C@@H]1CN([C@H]2CC[C@@H](C(=O)Nc3ccc(-c4cc(F)cc(F)c4)cn3)CC2)C(=O)O1 | 10.1016/j.bmcl.2014.02.023 | |||
| 10178465 | 193191 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 390 | 4 | 2 | 5 | 2.9 | N#Cc1ccnc(C2=NC(c3ccc(F)cc3)(c3ccc(F)cc3)[C@H](CO)N2)c1 | 10.1021/jm900110t | |||
| CHEMBL523305 | 193191 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 390 | 4 | 2 | 5 | 2.9 | N#Cc1ccnc(C2=NC(c3ccc(F)cc3)(c3ccc(F)cc3)[C@H](CO)N2)c1 | 10.1021/jm900110t | |||
| 44139356 | 192694 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 376 | 3 | 1 | 6 | 2.7 | C[C@@H]1NC(c2cc(C#N)ccn2)=NC1(c1ccc(F)nc1)c1ccc(F)nc1 | 10.1021/jm900110t | |||
| CHEMBL521932 | 192694 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 376 | 3 | 1 | 6 | 2.7 | C[C@@H]1NC(c2cc(C#N)ccn2)=NC1(c1ccc(F)nc1)c1ccc(F)nc1 | 10.1021/jm900110t | |||
| CHEMBL4292105 | 213513 | 0 | None | -7 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
| CHEMBL4292105 | 213513 | 0 | None | -7 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
| 44139480 | 187143 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 375 | 3 | 1 | 5 | 3.3 | C[C@@H]1NC(c2cncc(C#N)c2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1021/jm900110t | |||
| CHEMBL491895 | 187143 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 375 | 3 | 1 | 5 | 3.3 | C[C@@H]1NC(c2cncc(C#N)c2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1021/jm900110t | |||
| 10181110 | 167071 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 430 | 4 | 1 | 4 | 2.0 | CN(C(=O)NC1CCN(c2cc(F)cc(F)c2)CC1)C1CCN(S(C)(=O)=O)CC1 | 10.1016/j.bmcl.2007.11.132 | |||
| CHEMBL428953 | 167071 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 430 | 4 | 1 | 4 | 2.0 | CN(C(=O)NC1CCN(c2cc(F)cc(F)c2)CC1)C1CCN(S(C)(=O)=O)CC1 | 10.1016/j.bmcl.2007.11.132 | |||
| 10139329 | 167420 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 458 | 5 | 1 | 4 | 2.8 | CC(C)S(=O)(=O)N1CCC(N(C)C(=O)NC2CCN(c3cc(F)cc(F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.11.132 | |||
| CHEMBL429679 | 167420 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 458 | 5 | 1 | 4 | 2.8 | CC(C)S(=O)(=O)N1CCC(N(C)C(=O)NC2CCN(c3cc(F)cc(F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.11.132 | |||
| 57398085 | 68010 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 437 | 10 | 2 | 8 | 3.8 | Cc1nc(C)c(S(=O)(=O)NCCCCCNc2nc(-c3ccccn3)cs2)s1 | 10.1016/j.bmcl.2011.08.072 | |||
| CHEMBL1912087 | 68010 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 437 | 10 | 2 | 8 | 3.8 | Cc1nc(C)c(S(=O)(=O)NCCCCCNc2nc(-c3ccccn3)cs2)s1 | 10.1016/j.bmcl.2011.08.072 | |||
| 22458823 | 102005 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 349 | 5 | 1 | 3 | 4.8 | CC(C)n1c2ccccc2c2cc(NC(=O)CCN3CCCC3)ccc21 | 10.1016/s0960-894x(03)00329-9 | |||
| CHEMBL301638 | 102005 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 349 | 5 | 1 | 3 | 4.8 | CC(C)n1c2ccccc2c2cc(NC(=O)CCN3CCCC3)ccc21 | 10.1016/s0960-894x(03)00329-9 | |||
| 136088970 | 62789 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 400 | 3 | 2 | 4 | 3.4 | C[C@@H]1NC(c2c[nH]c(=O)c(Cl)c2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1016/j.bmc.2009.05.069 | |||
| CHEMBL1784124 | 62789 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 400 | 3 | 2 | 4 | 3.4 | C[C@@H]1NC(c2c[nH]c(=O)c(Cl)c2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1016/j.bmc.2009.05.069 | |||
| 56677041 | 65375 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 455 | 7 | 2 | 4 | 2.6 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CN2C(=O)CCc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2011.06.078 | |||
| CHEMBL1829325 | 65375 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 455 | 7 | 2 | 4 | 2.6 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CN2C(=O)CCc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2011.06.078 | |||
| 10161574 | 95578 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 458 | 6 | 1 | 4 | 2.8 | CCCS(=O)(=O)N1CCC(N(C)C(=O)NC2CCN(c3cc(F)cc(F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.11.132 | |||
| CHEMBL257708 | 95578 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 458 | 6 | 1 | 4 | 2.8 | CCCS(=O)(=O)N1CCC(N(C)C(=O)NC2CCN(c3cc(F)cc(F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.11.132 | |||
| 44345933 | 16300 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 289 | 2 | 1 | 2 | 4.4 | Clc1ccc(-c2c[nH]c(-c3ccncc3)n2)cc1Cl | 10.1016/s0960-894x(03)00747-9 | |||
| CHEMBL122527 | 16300 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 289 | 2 | 1 | 2 | 4.4 | Clc1ccc(-c2c[nH]c(-c3ccncc3)n2)cc1Cl | 10.1016/s0960-894x(03)00747-9 | |||
| 56666777 | 65371 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 443 | 7 | 2 | 5 | 2.5 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CN2CCOc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2011.06.078 | |||
| CHEMBL1829321 | 65371 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 443 | 7 | 2 | 5 | 2.5 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CN2CCOc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2011.06.078 | |||
| 70685314 | 73305 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 407 | 7 | 2 | 4 | 2.4 | Cc1ccc2c(c1)CCN2CC(=O)N[C@H]1CC[C@H](CNS(=O)(=O)C(C)C)CC1 | 10.1016/j.bmcl.2012.01.117 | |||
| CHEMBL2013013 | 73305 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 407 | 7 | 2 | 4 | 2.4 | Cc1ccc2c(c1)CCN2CC(=O)N[C@H]1CC[C@H](CNS(=O)(=O)C(C)C)CC1 | 10.1016/j.bmcl.2012.01.117 | |||
| 9907999 | 164868 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 382 | 4 | 2 | 3 | 4.5 | CCc1cc(-c2cc(NC(=O)C3Cc4ccc5ccccc5c4C3)[nH]n2)ccn1 | 10.1021/jm025513q | |||
| CHEMBL422012 | 164868 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 382 | 4 | 2 | 3 | 4.5 | CCc1cc(-c2cc(NC(=O)C3Cc4ccc5ccccc5c4C3)[nH]n2)ccn1 | 10.1021/jm025513q | |||
| 11742181 | 62794 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 408 | 4 | 1 | 5 | 3.8 | CC(C)n1cc(C2=N[C@@](c3ccc(F)cc3)(c3ccc(F)nc3)[C@H](C)N2)ccc1=O | 10.1016/j.bmc.2009.05.069 | |||
| CHEMBL1784129 | 62794 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 408 | 4 | 1 | 5 | 3.8 | CC(C)n1cc(C2=N[C@@](c3ccc(F)cc3)(c3ccc(F)nc3)[C@H](C)N2)ccc1=O | 10.1016/j.bmc.2009.05.069 | |||
| 21031286 | 187112 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 376 | 3 | 1 | 6 | 2.7 | C[C@@H]1NC(c2nccc(C#N)n2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1021/jm900110t | |||
| CHEMBL491567 | 187112 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 376 | 3 | 1 | 6 | 2.7 | C[C@@H]1NC(c2nccc(C#N)n2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1021/jm900110t | |||
| 57396265 | 67814 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 373 | 10 | 2 | 6 | 3.8 | CC(C)S(=O)(=O)NCCCCCNc1nc(-c2ccsc2)cs1 | 10.1016/j.bmcl.2011.08.072 | |||
| CHEMBL1909720 | 67814 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 373 | 10 | 2 | 6 | 3.8 | CC(C)S(=O)(=O)NCCCCCNc1nc(-c2ccsc2)cs1 | 10.1016/j.bmcl.2011.08.072 | |||
| 136000677 | 62790 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 434 | 3 | 2 | 4 | 3.7 | C[C@@H]1NC(c2c[nH]c(=O)c(C(F)(F)F)c2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1016/j.bmc.2009.05.069 | |||
| CHEMBL1784125 | 62790 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 434 | 3 | 2 | 4 | 3.7 | C[C@@H]1NC(c2c[nH]c(=O)c(C(F)(F)F)c2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1016/j.bmc.2009.05.069 | |||
| 56677041 | 65375 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 455 | 7 | 2 | 4 | 2.6 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CN2C(=O)CCc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2012.01.117 | |||
| CHEMBL1829325 | 65375 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 455 | 7 | 2 | 4 | 2.6 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CN2C(=O)CCc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2012.01.117 | |||
| CHEMBL4290048 | 213490 | 0 | None | -25 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N(C)[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
| 44345934 | 14557 | 1 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 289 | 2 | 1 | 2 | 4.4 | Clc1ccc(-c2c[nH]c(-c3ccccn3)n2)cc1Cl | 10.1016/s0960-894x(03)00747-9 | |||
| CHEMBL120377 | 14557 | 1 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 289 | 2 | 1 | 2 | 4.4 | Clc1ccc(-c2c[nH]c(-c3ccccn3)n2)cc1Cl | 10.1016/s0960-894x(03)00747-9 | |||
| 44139354 | 187054 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 374 | 3 | 1 | 4 | 3.9 | C[C@H]1NC(c2cc(C#N)ccn2)=NC1(c1ccc(F)cc1)c1ccc(F)cc1 | 10.1021/jm900110t | |||
| CHEMBL491107 | 187054 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 374 | 3 | 1 | 4 | 3.9 | C[C@H]1NC(c2cc(C#N)ccn2)=NC1(c1ccc(F)cc1)c1ccc(F)cc1 | 10.1021/jm900110t | |||
| 44345855 | 14653 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 246 | 2 | 1 | 3 | 3.0 | N#Cc1ccc(-c2c[nH]c(-c3cccnc3)n2)cc1 | 10.1016/s0960-894x(03)00747-9 | |||
| CHEMBL120538 | 14653 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 246 | 2 | 1 | 3 | 3.0 | N#Cc1ccc(-c2c[nH]c(-c3cccnc3)n2)cc1 | 10.1016/s0960-894x(03)00747-9 | |||
| 70681118 | 73496 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 427 | 4 | 1 | 5 | 4.8 | O=C(CC1CCC2(CC1)Cc1ccccc1C(=O)O2)Nc1cnc(-c2ccccc2)cn1 | 10.1016/j.bmcl.2012.02.098 | |||
| CHEMBL2016745 | 73496 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 427 | 4 | 1 | 5 | 4.8 | O=C(CC1CCC2(CC1)Cc1ccccc1C(=O)O2)Nc1cnc(-c2ccccc2)cn1 | 10.1016/j.bmcl.2012.02.098 | |||
| 20610104 | 95166 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 394 | 4 | 1 | 4 | 1.7 | CN(C(=O)NC1CCN(c2ccccc2)CC1)C1CCN(S(C)(=O)=O)CC1 | 10.1016/j.bmcl.2007.11.132 | |||
| CHEMBL255800 | 95166 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 394 | 4 | 1 | 4 | 1.7 | CN(C(=O)NC1CCN(c2ccccc2)CC1)C1CCN(S(C)(=O)=O)CC1 | 10.1016/j.bmcl.2007.11.132 | |||
| 20647123 | 68006 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 408 | 10 | 2 | 7 | 3.8 | O=S(=O)(NCCCCCNc1nc(-c2ccccn2)cs1)c1cccs1 | 10.1016/j.bmcl.2011.08.072 | |||
| CHEMBL1912083 | 68006 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 408 | 10 | 2 | 7 | 3.8 | O=S(=O)(NCCCCCNc1nc(-c2ccccn2)cs1)c1cccs1 | 10.1016/j.bmcl.2011.08.072 | |||
| CHEMBL4290891 | 213504 | 0 | None | 5 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
| 10295943 | 98062 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 424 | 5 | 1 | 5 | 1.7 | COc1cccc(N2CCC(NC(=O)N(C)C3CCN(S(C)(=O)=O)CC3)CC2)c1 | 10.1016/j.bmcl.2007.11.132 | |||
| CHEMBL273180 | 98062 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 424 | 5 | 1 | 5 | 1.7 | COc1cccc(N2CCC(NC(=O)N(C)C3CCN(S(C)(=O)=O)CC3)CC2)c1 | 10.1016/j.bmcl.2007.11.132 | |||
| 20610111 | 157665 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 430 | 4 | 1 | 4 | 2.0 | CN(C(=O)NC1CCN(c2ccc(F)c(F)c2)CC1)C1CCN(S(C)(=O)=O)CC1 | 10.1016/j.bmcl.2007.11.132 | |||
| CHEMBL408153 | 157665 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 430 | 4 | 1 | 4 | 2.0 | CN(C(=O)NC1CCN(c2ccc(F)c(F)c2)CC1)C1CCN(S(C)(=O)=O)CC1 | 10.1016/j.bmcl.2007.11.132 | |||
| CHEMBL4293564 | 213524 | 0 | None | -1 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N(C)[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
| 10005032 | 59222 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 472 | 8 | 2 | 3 | 5.9 | O=S(=O)(NC[C@H]1CC[C@H](CNCc2ccc3ccccc3c2)CC1)c1ccc2ccccc2c1 | 10.1016/j.bmcl.2011.06.124 | |||
| CHEMBL17022 | 59222 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 472 | 8 | 2 | 3 | 5.9 | O=S(=O)(NC[C@H]1CC[C@H](CNCc2ccc3ccccc3c2)CC1)c1ccc2ccccc2c1 | 10.1016/j.bmcl.2011.06.124 | |||
| CHEMBL4290891 | 213504 | 0 | None | 5 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
| 9806472 | 161991 | 0 | None | 257 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 476 | 8 | 2 | 3 | 5.3 | O=S(=O)(NC[C@H]1CC[C@H](CNCC2CCc3ccccc3C2)CC1)c1ccc2ccccc2c1 | 10.1016/s0960-894x(02)00288-3 | |||
| CHEMBL415926 | 161991 | 0 | None | 257 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 476 | 8 | 2 | 3 | 5.3 | O=S(=O)(NC[C@H]1CC[C@H](CNCC2CCc3ccccc3C2)CC1)c1ccc2ccccc2c1 | 10.1016/s0960-894x(02)00288-3 | |||
| CHEMBL4293564 | 213524 | 0 | None | -1 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N(C)[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
| 1565 | 2207 | 15 | None | 1 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 366 | 1 | 1 | 4 | 5.0 | OC1=C(C(=O)CC(C1)(C)C)C1C2=C(Oc3c1cccc3)CC(CC2=O)(C)C | 10.1021/jm900110t | |||
| 624746 | 2207 | 15 | None | 1 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 366 | 1 | 1 | 4 | 5.0 | OC1=C(C(=O)CC(C1)(C)C)C1C2=C(Oc3c1cccc3)CC(CC2=O)(C)C | 10.1021/jm900110t | |||
| CHEMBL491762 | 2207 | 15 | None | 1 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 366 | 1 | 1 | 4 | 5.0 | OC1=C(C(=O)CC(C1)(C)C)C1C2=C(Oc3c1cccc3)CC(CC2=O)(C)C | 10.1021/jm900110t | |||
| 1565 | 2207 | 15 | None | 1 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 366 | 1 | 1 | 4 | 5.0 | OC1=C(C(=O)CC(C1)(C)C)C1C2=C(Oc3c1cccc3)CC(CC2=O)(C)C | 10.1021/jm8003587 | |||
| 624746 | 2207 | 15 | None | 1 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 366 | 1 | 1 | 4 | 5.0 | OC1=C(C(=O)CC(C1)(C)C)C1C2=C(Oc3c1cccc3)CC(CC2=O)(C)C | 10.1021/jm8003587 | |||
| CHEMBL491762 | 2207 | 15 | None | 1 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 366 | 1 | 1 | 4 | 5.0 | OC1=C(C(=O)CC(C1)(C)C)C1C2=C(Oc3c1cccc3)CC(CC2=O)(C)C | 10.1021/jm8003587 | |||
| 11002986 | 53836 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 363 | 5 | 2 | 4 | 3.4 | COc1ccc(-c2cc(NC(=O)C3Cc4ccccc4C3)[nH]n2)cc1OC | 10.1021/jm025513q | |||
| CHEMBL160443 | 53836 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 363 | 5 | 2 | 4 | 3.4 | COc1ccc(-c2cc(NC(=O)C3Cc4ccccc4C3)[nH]n2)cc1OC | 10.1021/jm025513q | |||
| 57398068 | 67815 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 402 | 10 | 2 | 7 | 3.8 | Cc1nc(C)c(-c2csc(NCCCCCNS(=O)(=O)C(C)C)n2)s1 | 10.1016/j.bmcl.2011.08.072 | |||
| CHEMBL1909721 | 67815 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 402 | 10 | 2 | 7 | 3.8 | Cc1nc(C)c(-c2csc(NCCCCCNS(=O)(=O)C(C)C)n2)s1 | 10.1016/j.bmcl.2011.08.072 | |||
| 44345935 | 14565 | 1 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 257 | 2 | 1 | 2 | 3.4 | Fc1ccc(-c2c[nH]c(-c3cccnc3)n2)cc1F | 10.1016/s0960-894x(03)00747-9 | |||
| CHEMBL120431 | 14565 | 1 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 257 | 2 | 1 | 2 | 3.4 | Fc1ccc(-c2c[nH]c(-c3cccnc3)n2)cc1F | 10.1016/s0960-894x(03)00747-9 | |||
| 296732 | 111367 | 85 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 220 | 2 | 1 | 1 | 3.7 | c1ccc(-c2c[nH]c(-c3ccccc3)n2)cc1 | 10.1016/s0960-894x(03)00747-9 | |||
| CHEMBL327027 | 111367 | 85 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 220 | 2 | 1 | 1 | 3.7 | c1ccc(-c2c[nH]c(-c3ccccc3)n2)cc1 | 10.1016/s0960-894x(03)00747-9 | |||
| 24950714 | 178699 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 384 | 1 | 1 | 4 | 5.1 | CC1(C)CC(=O)C(C2C3=C(CC(C)(C)CC3=O)Oc3c(F)cccc32)=C(O)C1 | 10.1021/jm8003587 | |||
| CHEMBL468225 | 178699 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 384 | 1 | 1 | 4 | 5.1 | CC1(C)CC(=O)C(C2C3=C(CC(C)(C)CC3=O)Oc3c(F)cccc32)=C(O)C1 | 10.1021/jm8003587 | |||
| 24950712 | 189367 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 400 | 1 | 1 | 4 | 5.7 | CC1(C)CC(=O)C(C2C3=C(CC(C)(C)CC3=O)Oc3cc(Cl)ccc32)=C(O)C1 | 10.1021/jm8003587 | |||
| CHEMBL512787 | 189367 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 400 | 1 | 1 | 4 | 5.7 | CC1(C)CC(=O)C(C2C3=C(CC(C)(C)CC3=O)Oc3cc(Cl)ccc32)=C(O)C1 | 10.1021/jm8003587 | |||
| 7068786 | 182308 | 2 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 366 | 1 | 1 | 4 | 5.0 | CC1(C)CC(=O)C([C@@H]2C3=C(CC(C)(C)CC3=O)Oc3ccccc32)=C(O)C1 | 10.1021/jm8003587 | |||
| CHEMBL478417 | 182308 | 2 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 366 | 1 | 1 | 4 | 5.0 | CC1(C)CC(=O)C([C@@H]2C3=C(CC(C)(C)CC3=O)Oc3ccccc32)=C(O)C1 | 10.1021/jm8003587 | |||
| 10112368 | 155585 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 412 | 4 | 1 | 4 | 1.9 | CN(C(=O)NC1CCN(c2cccc(F)c2)CC1)C1CCN(S(C)(=O)=O)CC1 | 10.1016/j.bmcl.2007.11.132 | |||
| CHEMBL404462 | 155585 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 412 | 4 | 1 | 4 | 1.9 | CN(C(=O)NC1CCN(c2cccc(F)c2)CC1)C1CCN(S(C)(=O)=O)CC1 | 10.1016/j.bmcl.2007.11.132 | |||
| 54586366 | 62710 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 380 | 3 | 1 | 5 | 2.7 | C[C@@H]1NC(c2cccc(=O)n2C)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1016/j.bmc.2009.05.069 | |||
| CHEMBL1783928 | 62710 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 380 | 3 | 1 | 5 | 2.7 | C[C@@H]1NC(c2cccc(=O)n2C)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1016/j.bmc.2009.05.069 | |||
| 9803547 | 178640 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 444 | 1 | 1 | 4 | 5.8 | CC1(C)CC(=O)C(C2C3=C(CC(C)(C)CC3=O)Oc3cc(Br)ccc32)=C(O)C1 | 10.1021/jm8003587 | |||
| CHEMBL467550 | 178640 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 444 | 1 | 1 | 4 | 5.8 | CC1(C)CC(=O)C(C2C3=C(CC(C)(C)CC3=O)Oc3cc(Br)ccc32)=C(O)C1 | 10.1021/jm8003587 | |||
| 24950557 | 178822 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 380 | 1 | 1 | 4 | 5.3 | Cc1ccc2c(c1)OC1=C(C(=O)CC(C)(C)C1)C2C1=C(O)CC(C)(C)CC1=O | 10.1021/jm8003587 | |||
| CHEMBL469256 | 178822 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 380 | 1 | 1 | 4 | 5.3 | Cc1ccc2c(c1)OC1=C(C(=O)CC(C)(C)C1)C2C1=C(O)CC(C)(C)CC1=O | 10.1021/jm8003587 | |||
| 57396289 | 68000 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 443 | 9 | 2 | 6 | 5.1 | Cc1c(-c2csc(NCCCCCNS(C)(=O)=O)n2)sc2ccc(Cl)cc12 | 10.1016/j.bmcl.2011.08.072 | |||
| CHEMBL1912077 | 68000 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 443 | 9 | 2 | 6 | 5.1 | Cc1c(-c2csc(NCCCCCNS(C)(=O)=O)n2)sc2ccc(Cl)cc12 | 10.1016/j.bmcl.2011.08.072 | |||
| 44345650 | 110627 | 1 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 289 | 2 | 1 | 2 | 4.2 | FC(F)(F)c1ccc(-c2c[nH]c(-c3cccnc3)n2)cc1 | 10.1016/s0960-894x(03)00747-9 | |||
| CHEMBL325704 | 110627 | 1 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 289 | 2 | 1 | 2 | 4.2 | FC(F)(F)c1ccc(-c2c[nH]c(-c3cccnc3)n2)cc1 | 10.1016/s0960-894x(03)00747-9 | |||
| 56663347 | 65383 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 445 | 8 | 2 | 5 | 3.7 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NCCN2CCSc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2011.06.078 | |||
| CHEMBL1829333 | 65383 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 445 | 8 | 2 | 5 | 3.7 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NCCN2CCSc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2011.06.078 | |||
| 57392790 | 67822 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 411 | 10 | 2 | 7 | 2.0 | O=S(=O)(NCCCCCNc1nc(-c2ccccn2)cs1)N1CCOCC1 | 10.1016/j.bmcl.2011.08.072 | |||
| CHEMBL1909728 | 67822 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 411 | 10 | 2 | 7 | 2.0 | O=S(=O)(NCCCCCNc1nc(-c2ccccn2)cs1)N1CCOCC1 | 10.1016/j.bmcl.2011.08.072 | |||
| 10449735 | 163234 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 337 | 4 | 1 | 4 | 3.2 | CC(C)n1c(=O)c2ccc(NC(=O)CN(C)C)cc2c2ccccc21 | 10.1016/s0960-894x(03)00329-9 | |||
| CHEMBL418459 | 163234 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 337 | 4 | 1 | 4 | 3.2 | CC(C)n1c(=O)c2ccc(NC(=O)CN(C)C)cc2c2ccccc21 | 10.1016/s0960-894x(03)00329-9 | |||
| 22288540 | 102624 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 320 | 2 | 1 | 2 | 4.2 | CCN1Cc2ccc(NC(=O)C(F)(F)F)cc2-c2ccccc21 | 10.1016/s0960-894x(03)00329-9 | |||
| CHEMBL304245 | 102624 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 320 | 2 | 1 | 2 | 4.2 | CCN1Cc2ccc(NC(=O)C(F)(F)F)cc2-c2ccccc21 | 10.1016/s0960-894x(03)00329-9 | |||
| CHEMBL4280250 | 213404 | 0 | None | 1 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
| CHEMBL4283705 | 213441 | 0 | None | -3 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
| CHEMBL4290445 | 213495 | 0 | None | -630 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N(C)[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
| 44345853 | 14870 | 1 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 289 | 2 | 1 | 2 | 4.4 | Clc1ccc(-c2c[nH]c(-c3cccnc3)n2)cc1Cl | 10.1016/s0960-894x(03)00747-9 | |||
| CHEMBL120760 | 14870 | 1 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 289 | 2 | 1 | 2 | 4.4 | Clc1ccc(-c2c[nH]c(-c3cccnc3)n2)cc1Cl | 10.1016/s0960-894x(03)00747-9 | |||
| CHEMBL4290048 | 213490 | 0 | None | -25 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N(C)[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
| 76325491 | 105715 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 457 | 4 | 1 | 4 | 5.4 | CC(C)(C)C1CN([C@H]2CC[C@@H](C(=O)Nc3ccc(-c4cc(F)cc(F)c4)cn3)CC2)C(=O)O1 | 10.1016/j.bmcl.2014.02.023 | |||
| CHEMBL3126045 | 105715 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 457 | 4 | 1 | 4 | 5.4 | CC(C)(C)C1CN([C@H]2CC[C@@H](C(=O)Nc3ccc(-c4cc(F)cc(F)c4)cn3)CC2)C(=O)O1 | 10.1016/j.bmcl.2014.02.023 | |||
| 70681100 | 73306 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 411 | 7 | 2 | 4 | 2.2 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CN2CCc3cc(F)ccc32)CC1 | 10.1016/j.bmcl.2012.01.117 | |||
| CHEMBL2013014 | 73306 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 411 | 7 | 2 | 4 | 2.2 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CN2CCc3cc(F)ccc32)CC1 | 10.1016/j.bmcl.2012.01.117 | |||
| 44139603 | 186891 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 356 | 3 | 1 | 5 | 3.5 | C[C@@H]1NC(c2nccs2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1021/jm900110t | |||
| CHEMBL489732 | 186891 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 356 | 3 | 1 | 5 | 3.5 | C[C@@H]1NC(c2nccs2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1021/jm900110t | |||
| 136088969 | 62787 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 380 | 3 | 2 | 4 | 3.0 | Cc1cc(C2=N[C@@](c3ccc(F)cc3)(c3ccc(F)nc3)[C@H](C)N2)c[nH]c1=O | 10.1016/j.bmc.2009.05.069 | |||
| CHEMBL1784120 | 62787 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 380 | 3 | 2 | 4 | 3.0 | Cc1cc(C2=N[C@@](c3ccc(F)cc3)(c3ccc(F)nc3)[C@H](C)N2)c[nH]c1=O | 10.1016/j.bmc.2009.05.069 | |||
| 9923839 | 187040 | 1 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 336 | 3 | 1 | 4 | 3.0 | Fc1ccc(C2(c3ccc(F)cc3)CNC(c3cnccn3)=N2)cc1 | 10.1021/jm900110t | |||
| CHEMBL490937 | 187040 | 1 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 336 | 3 | 1 | 4 | 3.0 | Fc1ccc(C2(c3ccc(F)cc3)CNC(c3cnccn3)=N2)cc1 | 10.1021/jm900110t | |||
| 56677043 | 65384 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 427 | 8 | 2 | 4 | 3.6 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NCCN2CCCc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2011.06.078 | |||
| CHEMBL1829334 | 65384 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 427 | 8 | 2 | 4 | 3.6 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NCCN2CCCc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2011.06.078 | |||
| 70695857 | 73493 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 442 | 3 | 1 | 5 | 4.7 | CN(C(=O)Nc1cnc(-c2ccccc2)cn1)[C@H]1CC[C@@]2(CC1)Cc1ccccc1C(=O)O2 | 10.1016/j.bmcl.2012.02.098 | |||
| CHEMBL2016742 | 73493 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 442 | 3 | 1 | 5 | 4.7 | CN(C(=O)Nc1cnc(-c2ccccc2)cn1)[C@H]1CC[C@@]2(CC1)Cc1ccccc1C(=O)O2 | 10.1016/j.bmcl.2012.02.098 | |||
| 22458799 | 100991 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 329 | 4 | 1 | 3 | 4.4 | CCn1c2ccccc2c2cc(NC(=O)Cc3ccncc3)ccc21 | 10.1016/s0960-894x(03)00329-9 | |||
| CHEMBL294305 | 100991 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 329 | 4 | 1 | 3 | 4.4 | CCn1c2ccccc2c2cc(NC(=O)Cc3ccncc3)ccc21 | 10.1016/s0960-894x(03)00329-9 | |||
| 10364093 | 62793 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 408 | 5 | 1 | 5 | 3.6 | CCCn1cc(C2=N[C@@](c3ccc(F)cc3)(c3ccc(F)nc3)[C@H](C)N2)ccc1=O | 10.1016/j.bmc.2009.05.069 | |||
| CHEMBL1784128 | 62793 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 408 | 5 | 1 | 5 | 3.6 | CCCn1cc(C2=N[C@@](c3ccc(F)cc3)(c3ccc(F)nc3)[C@H](C)N2)ccc1=O | 10.1016/j.bmc.2009.05.069 | |||
| 44345801 | 14686 | 1 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 305 | 3 | 1 | 3 | 4.0 | FC(F)(F)Oc1cccc(-c2c[nH]c(-c3cccnc3)n2)c1 | 10.1016/s0960-894x(03)00747-9 | |||
| CHEMBL120586 | 14686 | 1 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 305 | 3 | 1 | 3 | 4.0 | FC(F)(F)Oc1cccc(-c2c[nH]c(-c3cccnc3)n2)c1 | 10.1016/s0960-894x(03)00747-9 | |||
| 44345737 | 113825 | 1 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 290 | 2 | 1 | 3 | 3.8 | Clc1ccc(-c2c[nH]c(-c3cnccn3)n2)cc1Cl | 10.1016/s0960-894x(03)00747-9 | |||
| CHEMBL332561 | 113825 | 1 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 290 | 2 | 1 | 3 | 3.8 | Clc1ccc(-c2c[nH]c(-c3cnccn3)n2)cc1Cl | 10.1016/s0960-894x(03)00747-9 | |||
| 44345961 | 113924 | 1 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 235 | 2 | 1 | 2 | 3.4 | Cc1ccccc1-c1c[nH]c(-c2cccnc2)n1 | 10.1016/s0960-894x(03)00747-9 | |||
| CHEMBL332582 | 113924 | 1 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 235 | 2 | 1 | 2 | 3.4 | Cc1ccccc1-c1c[nH]c(-c2cccnc2)n1 | 10.1016/s0960-894x(03)00747-9 | |||
| CHEMBL4280250 | 213404 | 0 | None | 1 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
| CHEMBL4283705 | 213441 | 0 | None | -3 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
| CHEMBL4290445 | 213495 | 0 | None | -630 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N(C)[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
| 155549336 | 174263 | 0 | None | -141 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 1761 | 57 | 30 | 22 | -3.5 | CCC(=O)N[C@H](CCCC[C@@H](N)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/acs.jmedchem.6b00309 | |||
| CHEMBL4549208 | 174263 | 0 | None | -141 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 1761 | 57 | 30 | 22 | -3.5 | CCC(=O)N[C@H](CCCC[C@@H](N)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/acs.jmedchem.6b00309 | |||
| 44453965 | 95090 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 395 | 4 | 1 | 5 | 1.1 | CN(C(=O)NC1CCN(c2cccnc2)CC1)C1CCN(S(C)(=O)=O)CC1 | 10.1016/j.bmcl.2007.11.132 | |||
| CHEMBL255390 | 95090 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 395 | 4 | 1 | 5 | 1.1 | CN(C(=O)NC1CCN(c2cccnc2)CC1)C1CCN(S(C)(=O)=O)CC1 | 10.1016/j.bmcl.2007.11.132 | |||
| 10041884 | 162799 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 323 | 4 | 1 | 4 | 2.7 | CCn1c(=O)c2ccc(NC(=O)CN(C)C)cc2c2ccccc21 | 10.1016/s0960-894x(03)00329-9 | |||
| CHEMBL417236 | 162799 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 323 | 4 | 1 | 4 | 2.7 | CCn1c(=O)c2ccc(NC(=O)CN(C)C)cc2c2ccccc21 | 10.1016/s0960-894x(03)00329-9 | |||
| 76321860 | 105721 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 442 | 5 | 1 | 3 | 4.7 | CC(C)N1CCN([C@H]2CC[C@@H](C(=O)Nc3ccc(-c4cc(F)cc(F)c4)cn3)CC2)C1=O | 10.1016/j.bmcl.2014.02.023 | |||
| CHEMBL3126051 | 105721 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 442 | 5 | 1 | 3 | 4.7 | CC(C)N1CCN([C@H]2CC[C@@H](C(=O)Nc3ccc(-c4cc(F)cc(F)c4)cn3)CC2)C1=O | 10.1016/j.bmcl.2014.02.023 | |||
| 24950870 | 178823 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 394 | 2 | 1 | 4 | 5.6 | CCc1ccc2c(c1)OC1=C(C(=O)CC(C)(C)C1)C2C1=C(O)CC(C)(C)CC1=O | 10.1021/jm8003587 | |||
| CHEMBL469257 | 178823 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 394 | 2 | 1 | 4 | 5.6 | CCc1ccc2c(c1)OC1=C(C(=O)CC(C)(C)C1)C2C1=C(O)CC(C)(C)CC1=O | 10.1021/jm8003587 | |||
| 44294983 | 101728 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 455 | 11 | 2 | 5 | 4.0 | O=C(NCCCCCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc2ccccc2c1 | 10.1016/s0960-894x(02)00288-3 | |||
| CHEMBL299579 | 101728 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 455 | 11 | 2 | 5 | 4.0 | O=C(NCCCCCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc2ccccc2c1 | 10.1016/s0960-894x(02)00288-3 | |||
| 44294898 | 186871 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 490 | 7 | 2 | 3 | 4.8 | O=C(NC[C@H]1CC[C@H](CNS(=O)(=O)c2cccc3ccccc23)CC1)C1CCc2ccccc2C1 | 10.1016/s0960-894x(02)00288-3 | |||
| CHEMBL48960 | 186871 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 490 | 7 | 2 | 3 | 4.8 | O=C(NC[C@H]1CC[C@H](CNS(=O)(=O)c2cccc3ccccc23)CC1)C1CCc2ccccc2C1 | 10.1016/s0960-894x(02)00288-3 | |||
| 54580488 | 62704 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 366 | 3 | 2 | 4 | 2.7 | C[C@@H]1NC(c2cc[nH]c(=O)c2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1016/j.bmc.2009.05.069 | |||
| CHEMBL1783922 | 62704 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 366 | 3 | 2 | 4 | 2.7 | C[C@@H]1NC(c2cc[nH]c(=O)c2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1016/j.bmc.2009.05.069 | |||
| 56673732 | 65360 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 454 | 7 | 2 | 5 | 1.6 | CN(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CN2C(=O)CCSc3ccccc32)CC1 | 10.1016/j.bmcl.2011.06.078 | |||
| CHEMBL1829310 | 65360 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 454 | 7 | 2 | 5 | 1.6 | CN(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CN2C(=O)CCSc3ccccc32)CC1 | 10.1016/j.bmcl.2011.06.078 | |||
| 44295107 | 101280 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 607 | 15 | 3 | 5 | 4.7 | Cc1ccc(S(=O)(=O)NC(Cc2ccccc2)C(=O)NCCCCCCNS(=O)(=O)c2cccc3ccccc23)cc1 | 10.1016/s0960-894x(02)00288-3 | |||
| CHEMBL296387 | 101280 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 607 | 15 | 3 | 5 | 4.7 | Cc1ccc(S(=O)(=O)NC(Cc2ccccc2)C(=O)NCCCCCCNS(=O)(=O)c2cccc3ccccc23)cc1 | 10.1016/s0960-894x(02)00288-3 | |||
| 10336953 | 100716 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 334 | 2 | 1 | 3 | 3.7 | CCn1c(=O)c2ccc(NC(=O)C(F)(F)F)cc2c2ccccc21 | 10.1016/s0960-894x(03)00329-9 | |||
| CHEMBL292560 | 100716 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 334 | 2 | 1 | 3 | 3.7 | CCn1c(=O)c2ccc(NC(=O)C(F)(F)F)cc2c2ccccc21 | 10.1016/s0960-894x(03)00329-9 | |||
| 57398083 | 67999 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 346 | 9 | 2 | 7 | 2.4 | CS(=O)(=O)NCCCCCNc1nc(-c2nccs2)cs1 | 10.1016/j.bmcl.2011.08.072 | |||
| CHEMBL1912076 | 67999 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 346 | 9 | 2 | 7 | 2.4 | CS(=O)(=O)NCCCCCNc1nc(-c2nccs2)cs1 | 10.1016/j.bmcl.2011.08.072 | |||
| 57391018 | 67994 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 366 | 10 | 2 | 6 | 2.9 | O=S(=O)(NCCCCCNc1nc(-c2ccccn2)cs1)C1CC1 | 10.1016/j.bmcl.2011.08.072 | |||
| CHEMBL1912071 | 67994 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 366 | 10 | 2 | 6 | 2.9 | O=S(=O)(NCCCCCNc1nc(-c2ccccn2)cs1)C1CC1 | 10.1016/j.bmcl.2011.08.072 | |||
| 11099807 | 50707 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 337 | 3 | 2 | 2 | 4.1 | O=C(Nc1cc(-c2ccccc2Cl)n[nH]1)C1Cc2ccccc2C1 | 10.1021/jm025513q | |||
| CHEMBL157588 | 50707 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 337 | 3 | 2 | 2 | 4.1 | O=C(Nc1cc(-c2ccccc2Cl)n[nH]1)C1Cc2ccccc2C1 | 10.1021/jm025513q | |||
| 22462213 | 188199 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 459 | 11 | 2 | 5 | 3.4 | O=C(NCCCCCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C1CCc2ccccc2C1 | 10.1016/s0960-894x(02)00288-3 | |||
| CHEMBL49906 | 188199 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 459 | 11 | 2 | 5 | 3.4 | O=C(NCCCCCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C1CCc2ccccc2C1 | 10.1016/s0960-894x(02)00288-3 | |||
| 155547323 | 173626 | 0 | None | -41 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 1590 | 51 | 25 | 19 | -1.2 | CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCCCCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/acs.jmedchem.6b00309 | |||
| CHEMBL4533775 | 173626 | 0 | None | -41 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 1590 | 51 | 25 | 19 | -1.2 | CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCCCCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/acs.jmedchem.6b00309 | |||
| CHEMBL413426 | 213066 | 0 | None | -97 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](CSSC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)[C@@H](C)CC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)OC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)OC | 10.1021/jm010031k | |||||
| 44345637 | 10473 | 1 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 339 | 2 | 1 | 2 | 5.6 | Clc1ccc(-c2c[nH]c(-c3cc4ccccc4cn3)n2)cc1Cl | 10.1016/s0960-894x(03)00747-9 | |||
| CHEMBL116488 | 10473 | 1 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 339 | 2 | 1 | 2 | 5.6 | Clc1ccc(-c2c[nH]c(-c3cc4ccccc4cn3)n2)cc1Cl | 10.1016/s0960-894x(03)00747-9 | |||
| 10183204 | 97608 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 462 | 4 | 1 | 4 | 3.0 | CN(C(=O)NC1CCN(c2ccc(Cl)c(Cl)c2)CC1)C1CCN(S(C)(=O)=O)CC1 | 10.1016/j.bmcl.2007.11.132 | |||
| CHEMBL270890 | 97608 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 462 | 4 | 1 | 4 | 3.0 | CN(C(=O)NC1CCN(c2ccc(Cl)c(Cl)c2)CC1)C1CCN(S(C)(=O)=O)CC1 | 10.1016/j.bmcl.2007.11.132 | |||
| 57398081 | 67995 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 382 | 11 | 2 | 6 | 3.5 | CCC(C)S(=O)(=O)NCCCCCNc1nc(-c2ccccn2)cs1 | 10.1016/j.bmcl.2011.08.072 | |||
| CHEMBL1912072 | 67995 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 382 | 11 | 2 | 6 | 3.5 | CCC(C)S(=O)(=O)NCCCCCNc1nc(-c2ccccn2)cs1 | 10.1016/j.bmcl.2011.08.072 | |||
| 20629114 | 73448 | 47 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 407 | 4 | 2 | 4 | 3.3 | CC(C)(C)S(=O)(=O)N[C@H]1CC[C@H](C(=O)Nc2ccc(C(F)(F)F)cn2)CC1 | 10.1016/j.bmcl.2012.02.098 | |||
| CHEMBL2016681 | 73448 | 47 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 407 | 4 | 2 | 4 | 3.3 | CC(C)(C)S(=O)(=O)N[C@H]1CC[C@H](C(=O)Nc2ccc(C(F)(F)F)cn2)CC1 | 10.1016/j.bmcl.2012.02.098 | |||
| 136000678 | 62791 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 396 | 4 | 2 | 5 | 2.7 | COc1cc(C2=N[C@@](c3ccc(F)cc3)(c3ccc(F)nc3)[C@H](C)N2)c[nH]c1=O | 10.1016/j.bmc.2009.05.069 | |||
| CHEMBL1784126 | 62791 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 396 | 4 | 2 | 5 | 2.7 | COc1cc(C2=N[C@@](c3ccc(F)cc3)(c3ccc(F)nc3)[C@H](C)N2)c[nH]c1=O | 10.1016/j.bmc.2009.05.069 | |||
| 66677782 | 105709 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 400 | 4 | 1 | 4 | 3.5 | O=C1CCCN1[C@H]1CC[C@@H](C(=O)Nc2ncc(-c3cc(F)cc(F)c3)cn2)CC1 | 10.1016/j.bmcl.2014.02.023 | |||
| CHEMBL3126039 | 105709 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 400 | 4 | 1 | 4 | 3.5 | O=C1CCCN1[C@H]1CC[C@@H](C(=O)Nc2ncc(-c3cc(F)cc(F)c3)cn2)CC1 | 10.1016/j.bmcl.2014.02.023 | |||
| 46913606 | 105716 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 400 | 4 | 2 | 3 | 3.5 | O=C1NCCN1[C@H]1CC[C@@H](C(=O)Nc2ccc(-c3cc(F)cc(F)c3)cn2)CC1 | 10.1016/j.bmcl.2014.02.023 | |||
| CHEMBL3126046 | 105716 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 400 | 4 | 2 | 3 | 3.5 | O=C1NCCN1[C@H]1CC[C@@H](C(=O)Nc2ccc(-c3cc(F)cc(F)c3)cn2)CC1 | 10.1016/j.bmcl.2014.02.023 | |||
| 46913409 | 105717 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 414 | 4 | 1 | 3 | 3.9 | CN1CCN([C@H]2CC[C@@H](C(=O)Nc3ccc(-c4cc(F)cc(F)c4)cn3)CC2)C1=O | 10.1016/j.bmcl.2014.02.023 | |||
| CHEMBL3126047 | 105717 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 414 | 4 | 1 | 3 | 3.9 | CN1CCN([C@H]2CC[C@@H](C(=O)Nc3ccc(-c4cc(F)cc(F)c4)cn3)CC2)C1=O | 10.1016/j.bmcl.2014.02.023 | |||
| 44139600 | 186889 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 393 | 4 | 2 | 5 | 2.5 | C[C@@H]1NC(c2cc(C(N)=O)ccn2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1021/jm900110t | |||
| CHEMBL489725 | 186889 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 393 | 4 | 2 | 5 | 2.5 | C[C@@H]1NC(c2cc(C(N)=O)ccn2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1021/jm900110t | |||
| 70689509 | 73318 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 416 | 7 | 2 | 5 | 2.5 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)Cn2ccc3cc(C#N)ccc32)CC1 | 10.1016/j.bmcl.2012.01.117 | |||
| CHEMBL2013026 | 73318 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 416 | 7 | 2 | 5 | 2.5 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)Cn2ccc3cc(C#N)ccc32)CC1 | 10.1016/j.bmcl.2012.01.117 | |||
| 44139481 | 193258 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 375 | 3 | 1 | 5 | 3.3 | C[C@@H]1NC(c2cccc(C#N)n2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1021/jm900110t | |||
| CHEMBL523821 | 193258 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 375 | 3 | 1 | 5 | 3.3 | C[C@@H]1NC(c2cccc(C#N)n2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1021/jm900110t | |||
| 10224063 | 95483 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 422 | 5 | 1 | 3 | 3.4 | CCCC(=O)N1CCC(N(C)C(=O)NC2CCN(c3cc(F)cc(F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.11.132 | |||
| CHEMBL257248 | 95483 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 422 | 5 | 1 | 3 | 3.4 | CCCC(=O)N1CCC(N(C)C(=O)NC2CCN(c3cc(F)cc(F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.11.132 | |||
| CHEMBL4282616 | 213432 | 0 | None | 3 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N(CCC(N)=O)CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
| CHEMBL4282616 | 213432 | 0 | None | 3 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N(CCC(N)=O)CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
| 10111188 | 95336 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 393 | 4 | 1 | 3 | 2.8 | CN(C(=O)N[C@H]1CC[C@@H](c2ccccc2)CC1)C1CCN(S(C)(=O)=O)CC1 | 10.1016/j.bmcl.2007.11.132 | |||
| CHEMBL256592 | 95336 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 393 | 4 | 1 | 3 | 2.8 | CN(C(=O)N[C@H]1CC[C@@H](c2ccccc2)CC1)C1CCN(S(C)(=O)=O)CC1 | 10.1016/j.bmcl.2007.11.132 | |||
| 2317 | 67649 | 9 | None | -2 | 2 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 590 | 27 | 4 | 8 | 6.3 | COc1ccccc1CNCCCCCCNCCSSCCNCCCCCCNCc1ccccc1OC | 10.1016/j.bmcl.2011.06.124 | |||
| CHEMBL19060 | 67649 | 9 | None | -2 | 2 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 590 | 27 | 4 | 8 | 6.3 | COc1ccccc1CNCCCCCCNCCSSCCNCCCCCCNCc1ccccc1OC | 10.1016/j.bmcl.2011.06.124 | |||
| 57398070 | 67818 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 395 | 7 | 1 | 7 | 2.0 | CC(C)S(=O)(=O)N1CCN(CCNc2nc(-c3ccccn3)cs2)CC1 | 10.1016/j.bmcl.2011.08.072 | |||
| CHEMBL1909724 | 67818 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 395 | 7 | 1 | 7 | 2.0 | CC(C)S(=O)(=O)N1CCN(CCNc2nc(-c3ccccn3)cs2)CC1 | 10.1016/j.bmcl.2011.08.072 | |||
| CHEMBL4276796 | 213366 | 0 | None | -63 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(=N)N)NC(C)=O)CCC(=O)NCCCC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O)NC1=O | 10.1021/acs.jmedchem.8b01046 | |||||
| CHEMBL4278746 | 213391 | 0 | None | -3 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](CCCNC(=N)N)CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
| CHEMBL4276796 | 213366 | 0 | None | -63 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(=N)N)NC(C)=O)CCC(=O)NCCCC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O)NC1=O | 10.1021/acs.jmedchem.8b01046 | |||||
| CHEMBL4278746 | 213391 | 0 | None | -3 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](CCCNC(=N)N)CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
| 10820168 | 96860 | 0 | None | -147 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 1192 | 37 | 16 | 15 | -2.3 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)CN[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)CC | 10.1021/jm010031k | |||
| CHEMBL265391 | 96860 | 0 | None | -147 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 1192 | 37 | 16 | 15 | -2.3 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)CN[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)CC | 10.1021/jm010031k | |||
| CHEMBL429005 | 213491 | 0 | None | -5 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1016/j.bmcl.2006.10.007 | |||||
| 57403234 | 67812 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 368 | 10 | 2 | 6 | 3.1 | CC(C)S(=O)(=O)NCCCCCNc1nc(-c2cccnc2)cs1 | 10.1016/j.bmcl.2011.08.072 | |||
| CHEMBL1909718 | 67812 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 368 | 10 | 2 | 6 | 3.1 | CC(C)S(=O)(=O)NCCCCCNc1nc(-c2cccnc2)cs1 | 10.1016/j.bmcl.2011.08.072 | |||
| 10111188 | 95643 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 393 | 4 | 1 | 3 | 2.8 | CN(C(=O)N[C@H]1CC[C@H](c2ccccc2)CC1)C1CCN(S(C)(=O)=O)CC1 | 10.1016/j.bmcl.2007.11.132 | |||
| CHEMBL257939 | 95643 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 393 | 4 | 1 | 3 | 2.8 | CN(C(=O)N[C@H]1CC[C@H](c2ccccc2)CC1)C1CCN(S(C)(=O)=O)CC1 | 10.1016/j.bmcl.2007.11.132 | |||
| 20610103 | 155209 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 408 | 4 | 1 | 4 | 2.0 | Cc1ccccc1N1CCC(NC(=O)N(C)C2CCN(S(C)(=O)=O)CC2)CC1 | 10.1016/j.bmcl.2007.11.132 | |||
| CHEMBL402557 | 155209 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 408 | 4 | 1 | 4 | 2.0 | Cc1ccccc1N1CCC(NC(=O)N(C)C2CCN(S(C)(=O)=O)CC2)CC1 | 10.1016/j.bmcl.2007.11.132 | |||
| 12250899 | 14551 | 1 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 221 | 2 | 1 | 2 | 3.1 | c1ccc(-c2c[nH]c(-c3cccnc3)n2)cc1 | 10.1016/s0960-894x(03)00747-9 | |||
| CHEMBL120336 | 14551 | 1 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 221 | 2 | 1 | 2 | 3.1 | c1ccc(-c2c[nH]c(-c3cccnc3)n2)cc1 | 10.1016/s0960-894x(03)00747-9 | |||
| 57394537 | 67992 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 340 | 9 | 2 | 6 | 2.3 | CS(=O)(=O)NCCCCCNc1nc(-c2ccccn2)cs1 | 10.1016/j.bmcl.2011.08.072 | |||
| CHEMBL1912069 | 67992 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 340 | 9 | 2 | 6 | 2.3 | CS(=O)(=O)NCCCCCNc1nc(-c2ccccn2)cs1 | 10.1016/j.bmcl.2011.08.072 | |||
| 155553742 | 175438 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 1505 | 47 | 22 | 18 | -0.4 | CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCCCCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/acs.jmedchem.6b00309 | |||
| CHEMBL4576579 | 175438 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 1505 | 47 | 22 | 18 | -0.4 | CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCCCCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/acs.jmedchem.6b00309 | |||
| 44345802 | 165025 | 3 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 251 | 3 | 1 | 3 | 3.1 | COc1cccc(-c2c[nH]c(-c3cccnc3)n2)c1 | 10.1016/s0960-894x(03)00747-9 | |||
| CHEMBL422608 | 165025 | 3 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 251 | 3 | 1 | 3 | 3.1 | COc1cccc(-c2c[nH]c(-c3cccnc3)n2)c1 | 10.1016/s0960-894x(03)00747-9 | |||
| 10155286 | 155339 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 357 | 3 | 1 | 2 | 3.4 | CC(=O)N1CCC(N(C)C(=O)N[C@H]2CC[C@H](c3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2007.11.132 | |||
| CHEMBL403223 | 155339 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 357 | 3 | 1 | 2 | 3.4 | CC(=O)N1CCC(N(C)C(=O)N[C@H]2CC[C@H](c3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2007.11.132 | |||
| 2821670 | 168456 | 2 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 337 | 3 | 2 | 2 | 4.1 | O=C(Nc1cc(-c2ccc(Cl)cc2)n[nH]1)C1Cc2ccccc2C1 | 10.1021/jm025513q | |||
| CHEMBL435036 | 168456 | 2 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 337 | 3 | 2 | 2 | 4.1 | O=C(Nc1cc(-c2ccc(Cl)cc2)n[nH]1)C1Cc2ccccc2C1 | 10.1021/jm025513q | |||
| 2979261 | 181646 | 7 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 396 | 2 | 1 | 5 | 5.0 | COc1ccc2c(c1)C(C1=C(O)CC(C)(C)CC1=O)C1=C(CC(C)(C)CC1=O)O2 | 10.1021/jm8003587 | |||
| CHEMBL477578 | 181646 | 7 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 396 | 2 | 1 | 5 | 5.0 | COc1ccc2c(c1)C(C1=C(O)CC(C)(C)CC1=O)C1=C(CC(C)(C)CC1=O)O2 | 10.1021/jm8003587 | |||
| 11640844 | 6016 | 0 | None | -199 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 444 | 6 | 2 | 6 | 6.6 | c1ccc([C@@H]2CCSC(Nc3ccc(CCNc4nc5ccccc5s4)cc3)=N2)cc1 | 10.1016/j.bmcl.2009.09.048 | |||
| CHEMBL1080298 | 6016 | 0 | None | -199 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 444 | 6 | 2 | 6 | 6.6 | c1ccc([C@@H]2CCSC(Nc3ccc(CCNc4nc5ccccc5s4)cc3)=N2)cc1 | 10.1016/j.bmcl.2009.09.048 | |||
| 46913508 | 105710 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 400 | 4 | 1 | 4 | 3.5 | O=C1CCCN1[C@H]1CC[C@@H](C(=O)Nc2cnc(-c3cc(F)cc(F)c3)cn2)CC1 | 10.1016/j.bmcl.2014.02.023 | |||
| CHEMBL3126040 | 105710 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 400 | 4 | 1 | 4 | 3.5 | O=C1CCCN1[C@H]1CC[C@@H](C(=O)Nc2cnc(-c3cc(F)cc(F)c3)cn2)CC1 | 10.1016/j.bmcl.2014.02.023 | |||
| 10294889 | 95528 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 408 | 4 | 1 | 3 | 3.0 | CCC(=O)N1CCC(N(C)C(=O)NC2CCN(c3cc(F)cc(F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.11.132 | |||
| CHEMBL257457 | 95528 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 408 | 4 | 1 | 3 | 3.0 | CCC(=O)N1CCC(N(C)C(=O)NC2CCN(c3cc(F)cc(F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.11.132 | |||
| 10341402 | 62797 | 1 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 408 | 4 | 1 | 5 | 3.5 | CCn1cc(C2=N[C@@](c3ccc(F)cc3)(c3ccc(F)nc3)[C@H](C)N2)cc(C)c1=O | 10.1016/j.bmc.2009.05.069 | |||
| CHEMBL1784132 | 62797 | 1 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 408 | 4 | 1 | 5 | 3.5 | CCn1cc(C2=N[C@@](c3ccc(F)cc3)(c3ccc(F)nc3)[C@H](C)N2)cc(C)c1=O | 10.1016/j.bmc.2009.05.069 | |||
| 54587390 | 62708 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 384 | 3 | 2 | 4 | 2.9 | C[C@@H]1NC(c2ccc(F)c(=O)[nH]2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1016/j.bmc.2009.05.069 | |||
| CHEMBL1783926 | 62708 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 384 | 3 | 2 | 4 | 2.9 | C[C@@H]1NC(c2ccc(F)c(=O)[nH]2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1016/j.bmc.2009.05.069 | |||
| 56683703 | 65365 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 467 | 7 | 2 | 5 | 3.8 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CN2CCC(C)(C)Sc3ccccc32)CC1 | 10.1016/j.bmcl.2011.06.078 | |||
| CHEMBL1829315 | 65365 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 467 | 7 | 2 | 5 | 3.8 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CN2CCC(C)(C)Sc3ccccc32)CC1 | 10.1016/j.bmcl.2011.06.078 | |||
| 57403235 | 67825 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 457 | 16 | 2 | 8 | 2.2 | COCCN(CCOC)S(=O)(=O)NCCCCCNc1nc(-c2ccccn2)cs1 | 10.1016/j.bmcl.2011.08.072 | |||
| CHEMBL1909731 | 67825 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 457 | 16 | 2 | 8 | 2.2 | COCCN(CCOC)S(=O)(=O)NCCCCCNc1nc(-c2ccccn2)cs1 | 10.1016/j.bmcl.2011.08.072 | |||
| 56673733 | 65380 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 429 | 8 | 2 | 5 | 3.0 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NCCN2CCOc3ccc(Cl)cc32)CC1 | 10.1016/j.bmcl.2011.06.078 | |||
| CHEMBL1829330 | 65380 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 429 | 8 | 2 | 5 | 3.0 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NCCN2CCOc3ccc(Cl)cc32)CC1 | 10.1016/j.bmcl.2011.06.078 | |||
| 136000663 | 62703 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 366 | 3 | 2 | 4 | 2.7 | C[C@@H]1NC(c2ccc[nH]c2=O)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1016/j.bmc.2009.05.069 | |||
| CHEMBL1783921 | 62703 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 366 | 3 | 2 | 4 | 2.7 | C[C@@H]1NC(c2ccc[nH]c2=O)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1016/j.bmc.2009.05.069 | |||
| CHEMBL2440182 | 210473 | 0 | None | -12 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H]1[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H]2[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc3ccc(O)cc3)C(N)=O)[C@H]2C(=O)OC)[C@H]1C(=O)OC | 10.1021/jm4008505 | |||||
| 10892960 | 52432 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 333 | 4 | 2 | 3 | 3.4 | COc1ccc(-c2cc(NC(=O)C3Cc4ccccc4C3)[nH]n2)cc1 | 10.1021/jm025513q | |||
| CHEMBL159070 | 52432 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 333 | 4 | 2 | 3 | 3.4 | COc1ccc(-c2cc(NC(=O)C3Cc4ccccc4C3)[nH]n2)cc1 | 10.1021/jm025513q | |||
| CHEMBL3104112 | 211053 | 0 | None | -69 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)c1cccnc1SCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1016/j.bmcl.2013.11.061 | |||||
| CHEMBL4279133 | 213393 | 0 | None | -7 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](CC(=O)O)Cc1ccc(O)cc1)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
| CHEMBL4281010 | 213413 | 0 | None | -316 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CCCCCNC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CCC(=O)NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O)[C@@H](C)O)[C@@H](C)CC)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/acs.jmedchem.8b01046 | |||||
| 136000675 | 63151 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 380 | 3 | 2 | 4 | 3.0 | Cc1cc(=O)[nH]cc1C1=N[C@@](c2ccc(F)cc2)(c2ccc(F)nc2)[C@H](C)N1 | 10.1016/j.bmc.2009.05.069 | |||
| CHEMBL1784121 | 63151 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 380 | 3 | 2 | 4 | 3.0 | Cc1cc(=O)[nH]cc1C1=N[C@@](c2ccc(F)cc2)(c2ccc(F)nc2)[C@H](C)N1 | 10.1016/j.bmc.2009.05.069 | |||
| CHEMBL1789629 | 63151 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 380 | 3 | 2 | 4 | 3.0 | Cc1cc(=O)[nH]cc1C1=N[C@@](c2ccc(F)cc2)(c2ccc(F)nc2)[C@H](C)N1 | 10.1016/j.bmc.2009.05.069 | |||
| CHEMBL4279133 | 213393 | 0 | None | -7 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](CC(=O)O)Cc1ccc(O)cc1)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
| CHEMBL4281010 | 213413 | 0 | None | -316 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CCCCCNC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CCC(=O)NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O)[C@@H](C)O)[C@@H](C)CC)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/acs.jmedchem.8b01046 | |||||
| CHEMBL411117 | 212865 | 0 | None | -2454 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@H]1CCC(=O)NC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)OC)NC(=O)[C@@H]2CCCN2C(=O)[C@H](NC(=O)[C@@H](N)[C@@H](C)CC)CCC(=O)NC[C@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)OC)NC(=O)[C@@H]2CCCN2C1=O | 10.1021/jm010031k | |||||
| 44345854 | 114493 | 1 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 269 | 2 | 1 | 2 | 4.1 | Cc1[nH]c(-c2cccnc2)nc1-c1ccc(Cl)cc1 | 10.1016/s0960-894x(03)00747-9 | |||
| CHEMBL333509 | 114493 | 1 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 269 | 2 | 1 | 2 | 4.1 | Cc1[nH]c(-c2cccnc2)nc1-c1ccc(Cl)cc1 | 10.1016/s0960-894x(03)00747-9 | |||
| 76332713 | 105714 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 415 | 4 | 1 | 4 | 4.4 | C[C@H]1CN([C@H]2CC[C@@H](C(=O)Nc3ccc(-c4cc(F)cc(F)c4)cn3)CC2)C(=O)O1 | 10.1016/j.bmcl.2014.02.023 | |||
| CHEMBL3126044 | 105714 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 415 | 4 | 1 | 4 | 4.4 | C[C@H]1CN([C@H]2CC[C@@H](C(=O)Nc3ccc(-c4cc(F)cc(F)c4)cn3)CC2)C(=O)O1 | 10.1016/j.bmcl.2014.02.023 | |||
| 54583973 | 62785 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 410 | 5 | 1 | 6 | 2.7 | CCOn1cc(C2=N[C@@](c3ccc(F)cc3)(c3ccc(F)nc3)[C@H](C)N2)ccc1=O | 10.1016/j.bmc.2009.05.069 | |||
| CHEMBL1784119 | 62785 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 410 | 5 | 1 | 6 | 2.7 | CCOn1cc(C2=N[C@@](c3ccc(F)cc3)(c3ccc(F)nc3)[C@H](C)N2)ccc1=O | 10.1016/j.bmc.2009.05.069 | |||
| 9907999 | 164868 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 382 | 4 | 2 | 3 | 4.5 | CCc1cc(-c2cc(NC(=O)C3Cc4ccc5ccccc5c4C3)[nH]n2)ccn1 | 10.1021/jm025513q | |||
| CHEMBL422012 | 164868 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 382 | 4 | 2 | 3 | 4.5 | CCc1cc(-c2cc(NC(=O)C3Cc4ccc5ccccc5c4C3)[nH]n2)ccn1 | 10.1021/jm025513q | |||
| 136088971 | 62702 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 366 | 3 | 2 | 4 | 2.7 | C[C@@H]1NC(c2ccc(=O)[nH]c2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1016/j.bmc.2009.05.069 | |||
| CHEMBL1783920 | 62702 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 366 | 3 | 2 | 4 | 2.7 | C[C@@H]1NC(c2ccc(=O)[nH]c2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1016/j.bmc.2009.05.069 | |||
| 9821993 | 155060 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 394 | 3 | 1 | 3 | 2.6 | CC(=O)N1CCC(N(C)C(=O)NC2CCN(c3cc(F)cc(F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.11.132 | |||
| CHEMBL401726 | 155060 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 394 | 3 | 1 | 3 | 2.6 | CC(=O)N1CCC(N(C)C(=O)NC2CCN(c3cc(F)cc(F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.11.132 | |||
| 54752621 | 67819 | 0 | None | -1 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 369 | 10 | 2 | 6 | 2.2 | CN(C)S(=O)(=O)NCCCCCNc1nc(-c2ccccn2)cs1 | 10.1016/j.bmcl.2011.08.072 | |||
| CHEMBL1909725 | 67819 | 0 | None | -1 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 369 | 10 | 2 | 6 | 2.2 | CN(C)S(=O)(=O)NCCCCCNc1nc(-c2ccccn2)cs1 | 10.1016/j.bmcl.2011.08.072 | |||
| 3107239 | 178670 | 1 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 400 | 1 | 1 | 4 | 5.7 | CC1(C)CC(=O)C(C2C3=C(CC(C)(C)CC3=O)Oc3c(Cl)cccc32)=C(O)C1 | 10.1021/jm8003587 | |||
| CHEMBL467813 | 178670 | 1 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 400 | 1 | 1 | 4 | 5.7 | CC1(C)CC(=O)C(C2C3=C(CC(C)(C)CC3=O)Oc3c(Cl)cccc32)=C(O)C1 | 10.1021/jm8003587 | |||
| 155543070 | 173189 | 0 | None | -436 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 1761 | 57 | 30 | 22 | -3.5 | CCC(=O)N[C@@H](CCCC[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/acs.jmedchem.6b00309 | |||
| CHEMBL4522438 | 173189 | 0 | None | -436 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 1761 | 57 | 30 | 22 | -3.5 | CCC(=O)N[C@@H](CCCC[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/acs.jmedchem.6b00309 | |||
| CHEMBL4570354 | 173189 | 0 | None | -436 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 1761 | 57 | 30 | 22 | -3.5 | CCC(=O)N[C@@H](CCCC[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/acs.jmedchem.6b00309 | |||
| CHEMBL438914 | 213807 | 16 | None | -275 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)OC)[C@@H](C)CC | 10.1021/jm010031k | |||||
| 46913408 | 105724 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 399 | 4 | 1 | 3 | 4.1 | O=C1CCCN1[C@H]1CC[C@H](C(=O)Nc2ccc(-c3cc(F)cc(F)c3)cn2)CC1 | 10.1016/j.bmcl.2014.02.023 | |||
| CHEMBL3126054 | 105724 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 399 | 4 | 1 | 3 | 4.1 | O=C1CCCN1[C@H]1CC[C@H](C(=O)Nc2ccc(-c3cc(F)cc(F)c3)cn2)CC1 | 10.1016/j.bmcl.2014.02.023 | |||
| 44294739 | 186781 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 442 | 9 | 3 | 5 | 3.6 | O=C(NCCCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])Nc1cccc2ccccc12 | 10.1016/s0960-894x(02)00288-3 | |||
| CHEMBL48904 | 186781 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 442 | 9 | 3 | 5 | 3.6 | O=C(NCCCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])Nc1cccc2ccccc12 | 10.1016/s0960-894x(02)00288-3 | |||
| 44294789 | 188944 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 464 | 10 | 2 | 3 | 4.6 | O=C(NCCCCCCNS(=O)(=O)c1cccc2ccccc12)C1CCc2ccccc2C1 | 10.1016/s0960-894x(02)00288-3 | |||
| CHEMBL50807 | 188944 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 464 | 10 | 2 | 3 | 4.6 | O=C(NCCCCCCNS(=O)(=O)c1cccc2ccccc12)C1CCc2ccccc2C1 | 10.1016/s0960-894x(02)00288-3 | |||
| 44295138 | 193192 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 535 | 8 | 2 | 5 | 4.8 | O=C(NC[C@H]1CC[C@H](CNS(=O)(=O)c2ccc3cccc([N+](=O)[O-])c3c2)CC1)C1CCc2ccccc2C1 | 10.1016/s0960-894x(02)00288-3 | |||
| CHEMBL52332 | 193192 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 535 | 8 | 2 | 5 | 4.8 | O=C(NC[C@H]1CC[C@H](CNS(=O)(=O)c2ccc3cccc([N+](=O)[O-])c3c2)CC1)C1CCc2ccccc2C1 | 10.1016/s0960-894x(02)00288-3 | |||
| 71461713 | 79645 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 364 | 6 | 1 | 4 | 4.3 | CC(C)Cn1c2ccccc2c2cc(NC(=O)CCN3CCCC3)ncc21 | 10.1016/s0960-894x(03)00329-9 | |||
| CHEMBL2115090 | 79645 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 364 | 6 | 1 | 4 | 4.3 | CC(C)Cn1c2ccccc2c2cc(NC(=O)CCN3CCCC3)ncc21 | 10.1016/s0960-894x(03)00329-9 | |||
| 57396287 | 67989 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 468 | 11 | 2 | 8 | 3.0 | CS(=O)(=O)NCCCCCNc1nc(-c2ccn(S(=O)(=O)c3ccccc3)c2)cs1 | 10.1016/j.bmcl.2011.08.072 | |||
| CHEMBL1912066 | 67989 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 468 | 11 | 2 | 8 | 3.0 | CS(=O)(=O)NCCCCCNc1nc(-c2ccn(S(=O)(=O)c3ccccc3)c2)cs1 | 10.1016/j.bmcl.2011.08.072 | |||
| 57392791 | 67823 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 439 | 10 | 2 | 7 | 2.7 | CC1CN(S(=O)(=O)NCCCCCNc2nc(-c3ccccn3)cs2)CC(C)O1 | 10.1016/j.bmcl.2011.08.072 | |||
| CHEMBL1909729 | 67823 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 439 | 10 | 2 | 7 | 2.7 | CC1CN(S(=O)(=O)NCCCCCNc2nc(-c3ccccn3)cs2)CC(C)O1 | 10.1016/j.bmcl.2011.08.072 | |||
| 44283050 | 159482 | 0 | None | -17378 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 2323 | 60 | 32 | 30 | -6.7 | CC[C@H](C)[C@H](N)C(=O)N[C@H]1CCC(=O)NC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)CN[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](NC(=O)[C@@H](N)[C@@H](C)CC)CCC(=O)NC[C@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)CN[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@@H]2CCCN2C1=O | 10.1021/jm010031k | |||
| 91931647 | 159482 | 0 | None | -17378 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 2323 | 60 | 32 | 30 | -6.7 | CC[C@H](C)[C@H](N)C(=O)N[C@H]1CCC(=O)NC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)CN[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](NC(=O)[C@@H](N)[C@@H](C)CC)CCC(=O)NC[C@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)CN[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@@H]2CCCN2C1=O | 10.1021/jm010031k | |||
| CHEMBL410166 | 159482 | 0 | None | -17378 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 2323 | 60 | 32 | 30 | -6.7 | CC[C@H](C)[C@H](N)C(=O)N[C@H]1CCC(=O)NC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)CN[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](NC(=O)[C@@H](N)[C@@H](C)CC)CCC(=O)NC[C@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)CN[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@@H]2CCCN2C1=O | 10.1021/jm010031k | |||
| CHEMBL4277676 | 213375 | 0 | None | -100 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
| CHEMBL4277676 | 213375 | 0 | None | -100 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
| CHEMBL4287058 | 213467 | 0 | None | -316 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
| CHEMBL4291016 | 213505 | 0 | None | -7 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
| CHEMBL4294418 | 213531 | 0 | None | -616 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CCC(=O)NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O)[C@@H](C)O)C(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CCCCCNC(=O)[C@H](CCCCN)NC1=O | 10.1021/acs.jmedchem.8b01046 | |||||
| CHEMBL4287058 | 213467 | 0 | None | -316 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
| CHEMBL4291016 | 213505 | 0 | None | -7 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
| CHEMBL4294418 | 213531 | 0 | None | -616 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CCC(=O)NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O)[C@@H](C)O)C(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CCCCCNC(=O)[C@H](CCCCN)NC1=O | 10.1021/acs.jmedchem.8b01046 | |||||
| 20610119 | 97626 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 412 | 4 | 1 | 4 | 1.9 | CN(C(=O)NC1CCN(c2ccc(F)cc2)CC1)C1CCN(S(C)(=O)=O)CC1 | 10.1016/j.bmcl.2007.11.132 | |||
| CHEMBL270999 | 97626 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 412 | 4 | 1 | 4 | 1.9 | CN(C(=O)NC1CCN(c2ccc(F)cc2)CC1)C1CCN(S(C)(=O)=O)CC1 | 10.1016/j.bmcl.2007.11.132 | |||
| 20647096 | 68004 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 420 | 10 | 2 | 6 | 3.9 | O=S(=O)(NCCCCCNc1nc(-c2ccccn2)cs1)c1ccccc1F | 10.1016/j.bmcl.2011.08.072 | |||
| CHEMBL1912081 | 68004 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 420 | 10 | 2 | 6 | 3.9 | O=S(=O)(NCCCCCNc1nc(-c2ccccn2)cs1)c1ccccc1F | 10.1016/j.bmcl.2011.08.072 | |||
| 9972871 | 202562 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 313 | 2 | 1 | 4 | 4.1 | CCn1c2ccccc2c2cc(-c3nc4c[nH]cnc-4n3)ccc21 | 10.1016/s0960-894x(03)00329-9 | |||
| CHEMBL61175 | 202562 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 313 | 2 | 1 | 4 | 4.1 | CCn1c2ccccc2c2cc(-c3nc4c[nH]cnc-4n3)ccc21 | 10.1016/s0960-894x(03)00329-9 | |||
| 44345820 | 110631 | 1 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 255 | 2 | 1 | 2 | 3.8 | Clc1cccc(-c2c[nH]c(-c3cccnc3)n2)c1 | 10.1016/s0960-894x(03)00747-9 | |||
| CHEMBL325727 | 110631 | 1 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 255 | 2 | 1 | 2 | 3.8 | Clc1cccc(-c2c[nH]c(-c3cccnc3)n2)c1 | 10.1016/s0960-894x(03)00747-9 | |||
| 70683238 | 73487 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 420 | 3 | 1 | 4 | 4.7 | CN(C(=O)Nc1ccn(-c2ccccc2F)n1)[C@H]1CC[C@]2(CC1)COc1ccccc12 | 10.1016/j.bmcl.2012.02.098 | |||
| CHEMBL2016736 | 73487 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 420 | 3 | 1 | 4 | 4.7 | CN(C(=O)Nc1ccn(-c2ccccc2F)n1)[C@H]1CC[C@]2(CC1)COc1ccccc12 | 10.1016/j.bmcl.2012.02.098 | |||
| 46913511 | 105712 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 401 | 4 | 1 | 4 | 4.0 | O=C1OCCN1[C@H]1CC[C@@H](C(=O)Nc2ccc(-c3cc(F)cc(F)c3)cn2)CC1 | 10.1016/j.bmcl.2014.02.023 | |||
| CHEMBL3126042 | 105712 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 401 | 4 | 1 | 4 | 4.0 | O=C1OCCN1[C@H]1CC[C@@H](C(=O)Nc2ccc(-c3cc(F)cc(F)c3)cn2)CC1 | 10.1016/j.bmcl.2014.02.023 | |||
| 46913408 | 105723 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 399 | 4 | 1 | 3 | 4.1 | O=C1CCCN1[C@H]1CC[C@@H](C(=O)Nc2ccc(-c3cc(F)cc(F)c3)cn2)CC1 | 10.1016/j.bmcl.2014.02.023 | |||
| CHEMBL3126053 | 105723 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 399 | 4 | 1 | 3 | 4.1 | O=C1CCCN1[C@H]1CC[C@@H](C(=O)Nc2ccc(-c3cc(F)cc(F)c3)cn2)CC1 | 10.1016/j.bmcl.2014.02.023 | |||
| 9982218 | 101764 | 6 | None | 2 | 6 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 471 | 9 | 2 | 5 | 4.1 | O=[N+]([O-])c1ccccc1S(=O)(=O)NC[C@H]1CC[C@H](CNCC2CCc3ccccc3C2)CC1 | 10.1016/s0960-894x(02)00287-1 | |||
| CHEMBL1435188 | 101764 | 6 | None | 2 | 6 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 471 | 9 | 2 | 5 | 4.1 | O=[N+]([O-])c1ccccc1S(=O)(=O)NC[C@H]1CC[C@H](CNCC2CCc3ccccc3C2)CC1 | 10.1016/s0960-894x(02)00287-1 | |||
| CHEMBL299879 | 101764 | 6 | None | 2 | 6 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 471 | 9 | 2 | 5 | 4.1 | O=[N+]([O-])c1ccccc1S(=O)(=O)NC[C@H]1CC[C@H](CNCC2CCc3ccccc3C2)CC1 | 10.1016/s0960-894x(02)00287-1 | |||
| 9952193 | 100586 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 387 | 6 | 2 | 4 | 4.4 | COc1ccc(-c2cc(NC(=O)Cc3ccc4ccccc4c3)[nH]n2)cc1OC | 10.1021/jm025513q | |||
| CHEMBL291666 | 100586 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 387 | 6 | 2 | 4 | 4.4 | COc1ccc(-c2cc(NC(=O)Cc3ccc4ccccc4c3)[nH]n2)cc1OC | 10.1021/jm025513q | |||
| 56659888 | 65369 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 441 | 7 | 2 | 5 | 1.6 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CN2C(=O)COc3cc(F)ccc32)CC1 | 10.1016/j.bmcl.2011.06.078 | |||
| CHEMBL1829319 | 65369 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 441 | 7 | 2 | 5 | 1.6 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CN2C(=O)COc3cc(F)ccc32)CC1 | 10.1016/j.bmcl.2011.06.078 | |||
| 10432823 | 62798 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 430 | 4 | 1 | 5 | 3.9 | Cc1cc(C2=N[C@@](c3ccc(F)cc3)(c3ccc(F)nc3)[C@H](C)N2)cn(C(F)F)c1=O | 10.1016/j.bmc.2009.05.069 | |||
| CHEMBL1784133 | 62798 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 430 | 4 | 1 | 5 | 3.9 | Cc1cc(C2=N[C@@](c3ccc(F)cc3)(c3ccc(F)nc3)[C@H](C)N2)cn(C(F)F)c1=O | 10.1016/j.bmc.2009.05.069 | |||
| 54581508 | 62706 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 380 | 3 | 2 | 4 | 3.0 | Cc1cc(C2=N[C@@](c3ccc(F)cc3)(c3ccc(F)nc3)[C@H](C)N2)[nH]c(=O)c1 | 10.1016/j.bmc.2009.05.069 | |||
| CHEMBL1783924 | 62706 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 380 | 3 | 2 | 4 | 3.0 | Cc1cc(C2=N[C@@](c3ccc(F)cc3)(c3ccc(F)nc3)[C@H](C)N2)[nH]c(=O)c1 | 10.1016/j.bmc.2009.05.069 | |||
| 54582496 | 62709 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 400 | 3 | 2 | 4 | 3.4 | C[C@@H]1NC(c2ccc(Cl)c(=O)[nH]2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1016/j.bmc.2009.05.069 | |||
| CHEMBL1783927 | 62709 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 400 | 3 | 2 | 4 | 3.4 | C[C@@H]1NC(c2ccc(Cl)c(=O)[nH]2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1016/j.bmc.2009.05.069 | |||
| 44139355 | 187041 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 402 | 5 | 1 | 4 | 4.7 | CCC[C@@H]1NC(c2cc(C#N)ccn2)=NC1(c1ccc(F)cc1)c1ccc(F)cc1 | 10.1021/jm900110t | |||
| CHEMBL490949 | 187041 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 402 | 5 | 1 | 4 | 4.7 | CCC[C@@H]1NC(c2cc(C#N)ccn2)=NC1(c1ccc(F)cc1)c1ccc(F)cc1 | 10.1021/jm900110t | |||
| 10205608 | 98063 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 472 | 4 | 1 | 4 | 2.5 | CN(C(=O)NC1CCN(c2cccc(Br)c2)CC1)C1CCN(S(C)(=O)=O)CC1 | 10.1016/j.bmcl.2007.11.132 | |||
| CHEMBL273182 | 98063 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 472 | 4 | 1 | 4 | 2.5 | CN(C(=O)NC1CCN(c2cccc(Br)c2)CC1)C1CCN(S(C)(=O)=O)CC1 | 10.1016/j.bmcl.2007.11.132 | |||
| 70687456 | 73319 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 405 | 7 | 2 | 4 | 3.0 | Cc1cc2ccccc2n1CC(=O)N[C@H]1CC[C@H](CNS(=O)(=O)C(C)C)CC1 | 10.1016/j.bmcl.2012.01.117 | |||
| CHEMBL2013027 | 73319 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 405 | 7 | 2 | 4 | 3.0 | Cc1cc2ccccc2n1CC(=O)N[C@H]1CC[C@H](CNS(=O)(=O)C(C)C)CC1 | 10.1016/j.bmcl.2012.01.117 | |||
| 57398082 | 67997 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 345 | 9 | 2 | 6 | 3.0 | CS(=O)(=O)NCCCCCNc1nc(-c2ccsc2)cs1 | 10.1016/j.bmcl.2011.08.072 | |||
| CHEMBL1912074 | 67997 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 345 | 9 | 2 | 6 | 3.0 | CS(=O)(=O)NCCCCCNc1nc(-c2ccsc2)cs1 | 10.1016/j.bmcl.2011.08.072 | |||
| 11758930 | 52109 | 3 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 317 | 3 | 2 | 2 | 3.7 | Cc1ccc(-c2cc(NC(=O)C3Cc4ccccc4C3)[nH]n2)cc1 | 10.1021/jm025513q | |||
| CHEMBL158759 | 52109 | 3 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 317 | 3 | 2 | 2 | 3.7 | Cc1ccc(-c2cc(NC(=O)C3Cc4ccccc4C3)[nH]n2)cc1 | 10.1021/jm025513q | |||
| 20647090 | 67820 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 341 | 9 | 3 | 6 | 1.6 | NS(=O)(=O)NCCCCCNc1nc(-c2ccccn2)cs1 | 10.1016/j.bmcl.2011.08.072 | |||
| CHEMBL1909726 | 67820 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 341 | 9 | 3 | 6 | 1.6 | NS(=O)(=O)NCCCCCNc1nc(-c2ccccn2)cs1 | 10.1016/j.bmcl.2011.08.072 | |||
| 24950713 | 178800 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 384 | 1 | 1 | 4 | 5.1 | CC1(C)CC(=O)C(C2C3=C(CC(C)(C)CC3=O)Oc3ccc(F)cc32)=C(O)C1 | 10.1021/jm8003587 | |||
| CHEMBL469041 | 178800 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 384 | 1 | 1 | 4 | 5.1 | CC1(C)CC(=O)C(C2C3=C(CC(C)(C)CC3=O)Oc3ccc(F)cc32)=C(O)C1 | 10.1021/jm8003587 | |||
| 20610117 | 97625 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 472 | 4 | 1 | 4 | 2.5 | CN(C(=O)NC1CCN(c2ccc(Br)cc2)CC1)C1CCN(S(C)(=O)=O)CC1 | 10.1016/j.bmcl.2007.11.132 | |||
| CHEMBL270997 | 97625 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 472 | 4 | 1 | 4 | 2.5 | CN(C(=O)NC1CCN(c2ccc(Br)cc2)CC1)C1CCN(S(C)(=O)=O)CC1 | 10.1016/j.bmcl.2007.11.132 | |||
| 70683240 | 73492 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 443 | 3 | 1 | 6 | 4.1 | CN(C(=O)Nc1cnc(-c2ccccc2)cn1)[C@H]1CC[C@@]2(CC1)Cc1cnccc1C(=O)O2 | 10.1016/j.bmcl.2012.02.098 | |||
| CHEMBL2016741 | 73492 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 443 | 3 | 1 | 6 | 4.1 | CN(C(=O)Nc1cnc(-c2ccccc2)cn1)[C@H]1CC[C@@]2(CC1)Cc1cnccc1C(=O)O2 | 10.1016/j.bmcl.2012.02.098 | |||
| 24950558 | 189189 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 410 | 3 | 1 | 5 | 5.4 | CCOc1ccc2c(c1)OC1=C(C(=O)CC(C)(C)C1)C2C1=C(O)CC(C)(C)CC1=O | 10.1021/jm8003587 | |||
| CHEMBL511264 | 189189 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 410 | 3 | 1 | 5 | 5.4 | CCOc1ccc2c(c1)OC1=C(C(=O)CC(C)(C)C1)C2C1=C(O)CC(C)(C)CC1=O | 10.1021/jm8003587 | |||
| 70695856 | 73485 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 421 | 3 | 2 | 6 | 3.5 | O=C(Nc1ccn(-c2ccccc2F)n1)NC1CCC2(CC1)OC(=O)c1ccncc12 | 10.1016/j.bmcl.2012.02.098 | |||
| CHEMBL2016734 | 73485 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 421 | 3 | 2 | 6 | 3.5 | O=C(Nc1ccn(-c2ccccc2F)n1)NC1CCC2(CC1)OC(=O)c1ccncc12 | 10.1016/j.bmcl.2012.02.098 | |||
| 56677042 | 65379 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 425 | 9 | 2 | 6 | 2.4 | COc1ccc2c(c1)OCCN2CCN[C@H]1CC[C@H](CNS(=O)(=O)C(C)C)CC1 | 10.1016/j.bmcl.2011.06.078 | |||
| CHEMBL1829329 | 65379 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 425 | 9 | 2 | 6 | 2.4 | COc1ccc2c(c1)OCCN2CCN[C@H]1CC[C@H](CNS(=O)(=O)C(C)C)CC1 | 10.1016/j.bmcl.2011.06.078 | |||
| 20610110 | 155352 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 412 | 4 | 1 | 4 | 1.9 | CN(C(=O)NC1CCN(c2ccccc2F)CC1)C1CCN(S(C)(=O)=O)CC1 | 10.1016/j.bmcl.2007.11.132 | |||
| CHEMBL403282 | 155352 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 412 | 4 | 1 | 4 | 1.9 | CN(C(=O)NC1CCN(c2ccccc2F)CC1)C1CCN(S(C)(=O)=O)CC1 | 10.1016/j.bmcl.2007.11.132 | |||
| 46913512 | 105718 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 414 | 4 | 2 | 3 | 3.9 | O=C1NCCCN1[C@H]1CC[C@@H](C(=O)Nc2ccc(-c3cc(F)cc(F)c3)cn2)CC1 | 10.1016/j.bmcl.2014.02.023 | |||
| CHEMBL3126048 | 105718 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 414 | 4 | 2 | 3 | 3.9 | O=C1NCCCN1[C@H]1CC[C@@H](C(=O)Nc2ccc(-c3cc(F)cc(F)c3)cn2)CC1 | 10.1016/j.bmcl.2014.02.023 | |||
| 76310949 | 105722 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 440 | 5 | 1 | 3 | 4.4 | O=C1N(C2CC2)CCN1[C@H]1CC[C@@H](C(=O)Nc2ccc(-c3cc(F)cc(F)c3)cn2)CC1 | 10.1016/j.bmcl.2014.02.023 | |||
| CHEMBL3126052 | 105722 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 440 | 5 | 1 | 3 | 4.4 | O=C1N(C2CC2)CCN1[C@H]1CC[C@@H](C(=O)Nc2ccc(-c3cc(F)cc(F)c3)cn2)CC1 | 10.1016/j.bmcl.2014.02.023 | |||
| 46209598 | 65382 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 463 | 8 | 2 | 5 | 3.4 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NCCN2CCOc3cc(C(F)(F)F)ccc32)CC1 | 10.1016/j.bmcl.2011.06.078 | |||
| CHEMBL1829332 | 65382 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 463 | 8 | 2 | 5 | 3.4 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NCCN2CCOc3cc(C(F)(F)F)ccc32)CC1 | 10.1016/j.bmcl.2011.06.078 | |||
| 11057532 | 54185 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 361 | 5 | 2 | 3 | 4.2 | CC(C)Oc1ccc(-c2cc(NC(=O)C3Cc4ccccc4C3)[nH]n2)cc1 | 10.1021/jm025513q | |||
| CHEMBL160722 | 54185 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 361 | 5 | 2 | 3 | 4.2 | CC(C)Oc1ccc(-c2cc(NC(=O)C3Cc4ccccc4C3)[nH]n2)cc1 | 10.1021/jm025513q | |||
| 9922092 | 101071 | 3 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 292 | 1 | 1 | 2 | 3.8 | Cn1c2ccccc2c2cc(NC(=O)C(F)(F)F)ccc21 | 10.1016/s0960-894x(03)00329-9 | |||
| CHEMBL294822 | 101071 | 3 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 292 | 1 | 1 | 2 | 3.8 | Cn1c2ccccc2c2cc(NC(=O)C(F)(F)F)ccc21 | 10.1016/s0960-894x(03)00329-9 | |||
| 9930634 | 178773 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 396 | 2 | 1 | 5 | 5.0 | COc1ccc2c(c1)OC1=C(C(=O)CC(C)(C)C1)C2C1=C(O)CC(C)(C)CC1=O | 10.1021/jm8003587 | |||
| CHEMBL468846 | 178773 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 396 | 2 | 1 | 5 | 5.0 | COc1ccc2c(c1)OC1=C(C(=O)CC(C)(C)C1)C2C1=C(O)CC(C)(C)CC1=O | 10.1021/jm8003587 | |||
| 44295115 | 193257 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 519 | 7 | 3 | 3 | 6.1 | O=C(NC[C@H]1CC[C@H](CNS(=O)(=O)c2cccc3ccccc23)CC1)Nc1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(02)00288-3 | |||
| CHEMBL52382 | 193257 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 519 | 7 | 3 | 3 | 6.1 | O=C(NC[C@H]1CC[C@H](CNS(=O)(=O)c2cccc3ccccc23)CC1)Nc1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(02)00288-3 | |||
| 56677040 | 65368 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 441 | 7 | 2 | 5 | 1.6 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CN2C(=O)COc3ccc(F)cc32)CC1 | 10.1016/j.bmcl.2011.06.078 | |||
| CHEMBL1829318 | 65368 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 441 | 7 | 2 | 5 | 1.6 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CN2C(=O)COc3ccc(F)cc32)CC1 | 10.1016/j.bmcl.2011.06.078 | |||
| None | 216056 | 0 | 125I-hPP | -295 | 13 | Rat | 9.7 | pKi | = | 9.7 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 126455957 | 216054 | 0 | 125I-hPP | -2 | 5 | Rat | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 4307 | 134 | 63 | 59 | -16.4 | CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N2CCC[C@H]2C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC4=CC=C(C=C4)O)C(=O)N[C@@H](CC5=CC=C(C=C5)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC6=CNC=N6)C(=O)N[C@@H](CC7=CC=C(C=C7)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC8=CC=C(C=C8)O)C(=O)N)NC(=O)[C@@H]9CCCN9C(=O)[C@H](CC1=CC=C(C=C1)O)N | None | |||
| None | 216058 | 0 | 125I-hPP | -8317 | 8 | Rat | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 444 | 3 | 1 | 3 | 7.0 | C1C(CC2=CC=CC=C2C1C3=C(OC4=CC=CC=C4C3=O)O)C5=CC=C(C=C5)C6=CC=CC=C6 | None | |||
| 56841989 | 213420 | 6 | 125I-PYY | -2 | 7 | Human | 9.0 | pKi | = | 9 | Binding | PDSP KiDatabase | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | None | |||||
| CHEMBL4281479 | 213420 | 6 | 125I-PYY | -2 | 7 | Human | 9.0 | pKi | = | 9 | Binding | PDSP KiDatabase | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | None | |||||
| 1562 | 899 | 13 | 125I-hPP | 2 | 2 | Rat | 9.0 | pKi | = | 9.0 | Binding | PDSP KiDatabase | 475 | 7 | 3 | 6 | 4.6 | Nc1nc(NCC2CCC(CC2)CNS(=O)(=O)c2cccc3c2cccc3)nc2c1cccc2 | None | |||
| 5312114 | 899 | 13 | 125I-hPP | 2 | 2 | Rat | 9.0 | pKi | = | 9.0 | Binding | PDSP KiDatabase | 475 | 7 | 3 | 6 | 4.6 | Nc1nc(NCC2CCC(CC2)CNS(=O)(=O)c2cccc3c2cccc3)nc2c1cccc2 | None | |||
| CHEMBL17645 | 899 | 13 | 125I-hPP | 2 | 2 | Rat | 9.0 | pKi | = | 9.0 | Binding | PDSP KiDatabase | 475 | 7 | 3 | 6 | 4.6 | Nc1nc(NCC2CCC(CC2)CNS(=O)(=O)c2cccc3c2cccc3)nc2c1cccc2 | None | |||
| CHEMBL195380 | 899 | 13 | 125I-hPP | 2 | 2 | Rat | 9.0 | pKi | = | 9.0 | Binding | PDSP KiDatabase | 475 | 7 | 3 | 6 | 4.6 | Nc1nc(NCC2CCC(CC2)CNS(=O)(=O)c2cccc3c2cccc3)nc2c1cccc2 | None | |||
| None | 216056 | 0 | 3H-Propionyl-NPY | -1318 | 13 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 21129772 | 169424 | 4 | 125I-PYY | -309 | 8 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 473 | 11 | 6 | 4 | 2.6 | N=C(N)NCCCC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | None | |||
| 21129772 | 169424 | 4 | 125I-PYY | -309 | 8 | Rat | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 473 | 11 | 6 | 4 | 2.6 | N=C(N)NCCCC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | None | |||
| 21129772 | 169424 | 4 | 125I-hPP | -309 | 8 | Rat | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 473 | 11 | 6 | 4 | 2.6 | N=C(N)NCCCC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | None | |||
| CHEMBL44246 | 169424 | 4 | 125I-PYY | -309 | 8 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 473 | 11 | 6 | 4 | 2.6 | N=C(N)NCCCC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | None | |||
| CHEMBL44246 | 169424 | 4 | 125I-PYY | -309 | 8 | Rat | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 473 | 11 | 6 | 4 | 2.6 | N=C(N)NCCCC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | None | |||
| CHEMBL44246 | 169424 | 4 | 125I-hPP | -309 | 8 | Rat | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 473 | 11 | 6 | 4 | 2.6 | N=C(N)NCCCC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | None | |||
| None | 216056 | 0 | 125I-PYY | -331131 | 13 | Mouse | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| None | 216235 | 0 | 125I-hPP | -131 | 3 | Rat | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 895 | 16 | 5 | 11 | 3.3 | C1CCC(C1)(CC(=O)NC(CCCN=C(N)N)C(=O)NCCN2C(=O)N(N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4)CC(=O)N5CCN(CC5)C6C7=CC=CC=C7C(=O)NC8=CC=CC=C68 | None | |||
| None | 216428 | 0 | 125I-hPP | - | 1 | Rat | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 643 | 13 | 7 | 5 | 2.5 | C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)NC(CCCN=C(N)N)C(=O)NCC3=CC=C(C=C3)CNC(=O)N.C(=O)(C(F)(F)F)O | None | |||
| None | 216056 | 0 | 125I-PYY | -1318 | 13 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| None | 216058 | 0 | 125I-PYY | -8317 | 8 | Rat | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 444 | 3 | 1 | 3 | 7.0 | C1C(CC2=CC=CC=C2C1C3=C(OC4=CC=CC=C4C3=O)O)C5=CC=C(C=C5)C6=CC=CC=C6 | None | |||
| None | 216056 | 0 | 125I-PYY | -295 | 13 | Rat | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| None | 216058 | 0 | 125I-PYY | -162181 | 8 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 444 | 3 | 1 | 3 | 7.0 | C1C(CC2=CC=CC=C2C1C3=C(OC4=CC=CC=C4C3=O)O)C5=CC=C(C=C5)C6=CC=CC=C6 | None | |||
| 56841989 | 213420 | 6 | 125I-PYY | -17 | 7 | Mouse | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | None | |||||
| CHEMBL4281479 | 213420 | 6 | 125I-PYY | -17 | 7 | Mouse | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | None | |||||
| None | 216058 | 0 | 125I-PYY | -8317 | 8 | Rat | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 444 | 3 | 1 | 3 | 7.0 | C1C(CC2=CC=CC=C2C1C3=C(OC4=CC=CC=C4C3=O)O)C5=CC=C(C=C5)C6=CC=CC=C6 | None | |||
| 1565 | 2207 | 15 | None | 1 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | Guide to Pharmacology | 366 | 1 | 1 | 4 | 5.0 | OC1=C(C(=O)CC(C1)(C)C)C1C2=C(Oc3c1cccc3)CC(CC2=O)(C)C | 10872822 | |||
| 624746 | 2207 | 15 | None | 1 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | Guide to Pharmacology | 366 | 1 | 1 | 4 | 5.0 | OC1=C(C(=O)CC(C1)(C)C)C1C2=C(Oc3c1cccc3)CC(CC2=O)(C)C | 10872822 | |||
| CHEMBL491762 | 2207 | 15 | None | 1 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | Guide to Pharmacology | 366 | 1 | 1 | 4 | 5.0 | OC1=C(C(=O)CC(C1)(C)C)C1C2=C(Oc3c1cccc3)CC(CC2=O)(C)C | 10872822 | |||
| 1527 | 2304 | 0 | None | -25 | 5 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | |||||
| 1549 | 2888 | 0 | None | -1 | 5 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | |||||
| 1549 | 2888 | 0 | None | -1 | 5 | Rat | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | |||||
| 155817422 | 2888 | 0 | None | -1 | 5 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | |||||
| 155817422 | 2888 | 0 | None | -1 | 5 | Rat | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | |||||
| 1504 | 2807 | 8 | None | -9 | 10 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | |||||
| 1518 | 2807 | 8 | None | -9 | 10 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | |||||
| 1521 | 2807 | 8 | None | -9 | 10 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | |||||
| 24868177 | 2807 | 8 | None | -9 | 10 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | |||||
| 44288922 | 2807 | 8 | None | -9 | 10 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | |||||
| 77068007 | 2807 | 8 | None | -9 | 10 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | |||||
| 90479759 | 2807 | 8 | None | -9 | 10 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | |||||
| CHEMBL438945 | 2807 | 8 | None | -9 | 10 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | |||||
| 1504 | 2807 | 8 | None | -3 | 10 | Rat | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | |||||
| 1518 | 2807 | 8 | None | -3 | 10 | Rat | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | |||||
| 1521 | 2807 | 8 | None | -3 | 10 | Rat | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | |||||
| 24868177 | 2807 | 8 | None | -3 | 10 | Rat | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | |||||
| 44288922 | 2807 | 8 | None | -3 | 10 | Rat | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | |||||
| 77068007 | 2807 | 8 | None | -3 | 10 | Rat | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | |||||
| 90479759 | 2807 | 8 | None | -3 | 10 | Rat | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | |||||
| CHEMBL438945 | 2807 | 8 | None | -3 | 10 | Rat | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | |||||
| 1557 | 2885 | 0 | None | -3 | 3 | Human | 6.2 | pKi | None | 6.2 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | |||||
| 44328226 | 2885 | 0 | None | -3 | 3 | Human | 6.2 | pKi | None | 6.2 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | |||||
| CHEMBL439478 | 2885 | 0 | None | -3 | 3 | Human | 6.2 | pKi | None | 6.2 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | |||||
| 1529 | 1851 | 0 | None | -31622 | 5 | Rat | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 12890716 | |||||
| 1513 | 3003 | 0 | None | -19952 | 6 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | |||||
| 1513 | 3003 | 0 | None | -15848 | 6 | Rat | 6.5 | pKi | None | 6.5 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | |||||
| 1557 | 2885 | 0 | None | 3 | 3 | Rat | 6.7 | pKi | None | 6.7 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | |||||
| 44328226 | 2885 | 0 | None | 3 | 3 | Rat | 6.7 | pKi | None | 6.7 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | |||||
| CHEMBL439478 | 2885 | 0 | None | 3 | 3 | Rat | 6.7 | pKi | None | 6.7 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | |||||
| 1516 | 3242 | 0 | None | -100 | 5 | Human | 7.1 | pKi | None | 7.1 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | |||||
| 1516 | 3242 | 0 | None | -100 | 5 | Rat | 7.1 | pKi | None | 7.1 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | |||||
| 57339564 | 3242 | 0 | None | -100 | 5 | Human | 7.1 | pKi | None | 7.1 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | |||||
| 57339564 | 3242 | 0 | None | -100 | 5 | Rat | 7.1 | pKi | None | 7.1 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | |||||
| 91898411 | 3242 | 0 | None | -100 | 5 | Human | 7.1 | pKi | None | 7.1 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | |||||
| 91898411 | 3242 | 0 | None | -100 | 5 | Rat | 7.1 | pKi | None | 7.1 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | |||||
| 1507 | 2883 | 0 | None | -38 | 7 | Human | 7.3 | pKi | None | 7.3 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | |||||
| 44351001 | 2883 | 0 | None | -38 | 7 | Human | 7.3 | pKi | None | 7.3 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | |||||
| 91929182 | 2883 | 0 | None | -38 | 7 | Human | 7.3 | pKi | None | 7.3 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | |||||
| CHEMBL265849 | 2883 | 0 | None | -38 | 7 | Human | 7.3 | pKi | None | 7.3 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | |||||
| 1565 | 2207 | 15 | None | -1 | 2 | Rat | 7.5 | pKi | None | 7.5 | Binding | Guide to Pharmacology | 366 | 1 | 1 | 4 | 5.0 | OC1=C(C(=O)CC(C1)(C)C)C1C2=C(Oc3c1cccc3)CC(CC2=O)(C)C | 10872822 | |||
| 624746 | 2207 | 15 | None | -1 | 2 | Rat | 7.5 | pKi | None | 7.5 | Binding | Guide to Pharmacology | 366 | 1 | 1 | 4 | 5.0 | OC1=C(C(=O)CC(C1)(C)C)C1C2=C(Oc3c1cccc3)CC(CC2=O)(C)C | 10872822 | |||
| CHEMBL491762 | 2207 | 15 | None | -1 | 2 | Rat | 7.5 | pKi | None | 7.5 | Binding | Guide to Pharmacology | 366 | 1 | 1 | 4 | 5.0 | OC1=C(C(=O)CC(C1)(C)C)C1C2=C(Oc3c1cccc3)CC(CC2=O)(C)C | 10872822 | |||
| 1507 | 2883 | 0 | None | -15 | 7 | Rat | 7.7 | pKi | None | 7.7 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | |||||
| 44351001 | 2883 | 0 | None | -15 | 7 | Rat | 7.7 | pKi | None | 7.7 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | |||||
| 91929182 | 2883 | 0 | None | -15 | 7 | Rat | 7.7 | pKi | None | 7.7 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | |||||
| CHEMBL265849 | 2883 | 0 | None | -15 | 7 | Rat | 7.7 | pKi | None | 7.7 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | |||||
| 1510 | 2891 | 0 | None | -15 | 6 | Human | 8.0 | pKi | None | 8 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | |||||
| 155817418 | 2891 | 0 | None | -15 | 6 | Human | 8.0 | pKi | None | 8 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | |||||
| 16142730 | 2891 | 0 | None | -15 | 6 | Human | 8.0 | pKi | None | 8 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | |||||
| 1512 | 3002 | 0 | None | -501 | 6 | Human | 8.0 | pKi | None | 8 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | |||||
| 1554 | 3244 | 0 | None | -2 | 3 | Human | 8.0 | pKi | None | 8 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | |||||
| 1544 | 1500 | 0 | None | -1 | 4 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | |||||
| 1544 | 1500 | 0 | None | 1 | 4 | Rat | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | |||||
| 1564 | 2112 | 0 | None | - | 1 | Rat | 8.3 | pKi | None | 8.3 | Binding | Guide to Pharmacology | 453 | 8 | 2 | 5 | 4.9 | O=N(=O)c1ccccc1S(=O)(=O)NC[C@@H]1CC[C@H](CC1)CNc1ccc2c(c1)cccc2 | 12890716 | |||
| 73755001 | 2112 | 0 | None | - | 1 | Rat | 8.3 | pKi | None | 8.3 | Binding | Guide to Pharmacology | 453 | 8 | 2 | 5 | 4.9 | O=N(=O)c1ccccc1S(=O)(=O)NC[C@@H]1CC[C@H](CC1)CNc1ccc2c(c1)cccc2 | 12890716 | |||
| 1560 | 335 | 0 | None | - | 1 | Rat | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | None | None | None | None | 12890716 | |||||
| 1554 | 3244 | 0 | None | 2 | 3 | Rat | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | |||||
| 1527 | 2304 | 0 | None | -31 | 5 | Rat | 8.7 | pKi | None | 8.7 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | |||||
| 1510 | 2891 | 0 | None | -3 | 6 | Rat | 8.7 | pKi | None | 8.7 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | |||||
| 155817418 | 2891 | 0 | None | -3 | 6 | Rat | 8.7 | pKi | None | 8.7 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | |||||
| 16142730 | 2891 | 0 | None | -3 | 6 | Rat | 8.7 | pKi | None | 8.7 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | |||||
| 1561 | 3155 | 0 | None | - | 1 | Human | 8.8 | pKi | None | 8.8 | Binding | Guide to Pharmacology | None | None | None | None | 12890716 | |||||
| 1512 | 3002 | 0 | None | -70 | 6 | Rat | 8.9 | pKi | None | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 12890716 | |||||
| 1512 | 3002 | 0 | None | -70 | 6 | Rat | 8.9 | pKi | None | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | |||||
| 1515 | 3053 | 0 | None | -19 | 6 | Human | 8.9 | pKi | None | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | |||||
| CHEMBL269503 | 3053 | 0 | None | -19 | 6 | Human | 8.9 | pKi | None | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | |||||
| 1524 | 2303 | 0 | None | -1 | 3 | Rat | 9.0 | pKi | None | 9.0 | Binding | Guide to Pharmacology | None | None | None | None | 12890716 | |||||
| 1524 | 2303 | 0 | None | -1 | 3 | Rat | 9.0 | pKi | None | 9.0 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | |||||
| 1515 | 3053 | 0 | None | -15 | 6 | Rat | 9.0 | pKi | None | 9 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | |||||
| CHEMBL269503 | 3053 | 0 | None | -15 | 6 | Rat | 9.0 | pKi | None | 9 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | |||||
| 1524 | 2303 | 0 | None | 1 | 3 | Human | 9.1 | pKi | None | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | |||||
| 1562 | 899 | 13 | None | 2 | 2 | Rat | 9.5 | pKi | None | 9.5 | Binding | Guide to Pharmacology | 475 | 7 | 3 | 6 | 4.6 | Nc1nc(NCC2CCC(CC2)CNS(=O)(=O)c2cccc3c2cccc3)nc2c1cccc2 | 12890716 | |||
| 5312114 | 899 | 13 | None | 2 | 2 | Rat | 9.5 | pKi | None | 9.5 | Binding | Guide to Pharmacology | 475 | 7 | 3 | 6 | 4.6 | Nc1nc(NCC2CCC(CC2)CNS(=O)(=O)c2cccc3c2cccc3)nc2c1cccc2 | 12890716 | |||
| CHEMBL17645 | 899 | 13 | None | 2 | 2 | Rat | 9.5 | pKi | None | 9.5 | Binding | Guide to Pharmacology | 475 | 7 | 3 | 6 | 4.6 | Nc1nc(NCC2CCC(CC2)CNS(=O)(=O)c2cccc3c2cccc3)nc2c1cccc2 | 12890716 | |||
| CHEMBL195380 | 899 | 13 | None | 2 | 2 | Rat | 9.5 | pKi | None | 9.5 | Binding | Guide to Pharmacology | 475 | 7 | 3 | 6 | 4.6 | Nc1nc(NCC2CCC(CC2)CNS(=O)(=O)c2cccc3c2cccc3)nc2c1cccc2 | 12890716 | |||