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 |
| 25174150 | 9117 | 0 | None | 64 | 2 | Human | 10.2 | pIC50 | = | 10.2 | Functional | ChEMBL | 582 | 18 | 2 | 6 | 7.3 | O=C(O)CCCOc1cccc(CCCCCCOc2cc(-c3ccncc3)cc(-c3ccncc3)c2)c1CCC(=O)O | 10.1021/jm1001919 | ||
| CHEMBL1099326 | 9117 | 0 | None | 64 | 2 | Human | 10.2 | pIC50 | = | 10.2 | Functional | ChEMBL | 582 | 18 | 2 | 6 | 7.3 | O=C(O)CCCOc1cccc(CCCCCCOc2cc(-c3ccncc3)cc(-c3ccncc3)c2)c1CCC(=O)O | 10.1021/jm1001919 | ||
| 25191879 | 9126 | 0 | None | - | 1 | Human | 9.7 | pIC50 | = | 9.7 | Functional | ChEMBL | 599 | 18 | 2 | 5 | 8.0 | O=C(O)CCCOc1cccc(CCCCCCOc2cc(-c3ccncc3)cc(-c3cccc(F)c3)c2)c1CCC(=O)O | 10.1021/jm1001919 | ||
| CHEMBL1099335 | 9126 | 0 | None | - | 1 | Human | 9.7 | pIC50 | = | 9.7 | Functional | ChEMBL | 599 | 18 | 2 | 5 | 8.0 | O=C(O)CCCOc1cccc(CCCCCCOc2cc(-c3ccncc3)cc(-c3cccc(F)c3)c2)c1CCC(=O)O | 10.1021/jm1001919 | ||
| 25191880 | 9123 | 0 | None | - | 1 | Human | 9.7 | pIC50 | = | 9.7 | Functional | ChEMBL | 587 | 18 | 2 | 6 | 7.9 | O=C(O)CCCOc1cccc(CCCCCCOc2cc(-c3ccncc3)cc(-c3ccsc3)c2)c1CCC(=O)O | 10.1021/jm1001919 | ||
| CHEMBL1099332 | 9123 | 0 | None | - | 1 | Human | 9.7 | pIC50 | = | 9.7 | Functional | ChEMBL | 587 | 18 | 2 | 6 | 7.9 | O=C(O)CCCOc1cccc(CCCCCCOc2cc(-c3ccncc3)cc(-c3ccsc3)c2)c1CCC(=O)O | 10.1021/jm1001919 | ||
| 25192021 | 9114 | 0 | None | 223 | 2 | Human | 9.7 | pIC50 | = | 9.7 | Functional | ChEMBL | 580 | 18 | 2 | 4 | 8.5 | O=C(O)CCCOc1cccc(CCCCCCOc2cc(-c3ccccc3)cc(-c3ccccc3)c2)c1CCC(=O)O | 10.1021/jm1001919 | ||
| CHEMBL1099323 | 9114 | 0 | None | 223 | 2 | Human | 9.7 | pIC50 | = | 9.7 | Functional | ChEMBL | 580 | 18 | 2 | 4 | 8.5 | O=C(O)CCCOc1cccc(CCCCCCOc2cc(-c3ccccc3)cc(-c3ccccc3)c2)c1CCC(=O)O | 10.1021/jm1001919 | ||
| 25192023 | 8531 | 0 | None | - | 1 | Human | 9.7 | pIC50 | = | 9.7 | Functional | ChEMBL | 625 | 18 | 2 | 7 | 7.6 | O=C(O)CCCOc1cccc(CCCCCCOc2cc(-c3ccncc3)cc(-c3ccc4c(c3)OCO4)c2)c1CCC(=O)O | 10.1021/jm1001919 | ||
| CHEMBL1094346 | 8531 | 0 | None | - | 1 | Human | 9.7 | pIC50 | = | 9.7 | Functional | ChEMBL | 625 | 18 | 2 | 7 | 7.6 | O=C(O)CCCOc1cccc(CCCCCCOc2cc(-c3ccncc3)cc(-c3ccc4c(c3)OCO4)c2)c1CCC(=O)O | 10.1021/jm1001919 | ||
| 25192174 | 9122 | 0 | None | - | 1 | Human | 9.4 | pIC50 | = | 9.4 | Functional | ChEMBL | 586 | 18 | 2 | 5 | 8.5 | O=C(O)CCCOc1cccc(CCCCCCOc2cc(-c3ccccc3)cc(-c3ccsc3)c2)c1CCC(=O)O | 10.1021/jm1001919 | ||
| CHEMBL1099331 | 9122 | 0 | None | - | 1 | Human | 9.4 | pIC50 | = | 9.4 | Functional | ChEMBL | 586 | 18 | 2 | 5 | 8.5 | O=C(O)CCCOc1cccc(CCCCCCOc2cc(-c3ccccc3)cc(-c3ccsc3)c2)c1CCC(=O)O | 10.1021/jm1001919 | ||
| 132379 | 111732 | 19 | None | - | 1 | Human | 9.4 | pIC50 | = | 9.4 | Functional | ChEMBL | 453 | 9 | 1 | 3 | 5.4 | CN(CCc1ccccc1)C(=O)Cc1cc(C(=O)O)cc2c(OCc3ccccc3)cccc12 | 10.1021/jm00100a034 | ||
| CHEMBL328712 | 111732 | 19 | None | - | 1 | Human | 9.4 | pIC50 | = | 9.4 | Functional | ChEMBL | 453 | 9 | 1 | 3 | 5.4 | CN(CCc1ccccc1)C(=O)Cc1cc(C(=O)O)cc2c(OCc3ccccc3)cccc12 | 10.1021/jm00100a034 | ||
| 25192176 | 8532 | 0 | None | - | 1 | Human | 9.4 | pIC50 | = | 9.4 | Functional | ChEMBL | 626 | 18 | 2 | 8 | 7.0 | O=C(O)CCCOc1cccc(CCCCCCOc2cc(-c3cncnc3)cc(-c3ccc4c(c3)OCO4)c2)c1CCC(=O)O | 10.1021/jm1001919 | ||
| CHEMBL1094347 | 8532 | 0 | None | - | 1 | Human | 9.4 | pIC50 | = | 9.4 | Functional | ChEMBL | 626 | 18 | 2 | 8 | 7.0 | O=C(O)CCCOc1cccc(CCCCCCOc2cc(-c3cncnc3)cc(-c3ccc4c(c3)OCO4)c2)c1CCC(=O)O | 10.1021/jm1001919 | ||
| 25192175 | 9125 | 0 | None | - | 1 | Human | 9.4 | pIC50 | = | 9.4 | Functional | ChEMBL | 588 | 18 | 2 | 7 | 7.3 | O=C(O)CCCOc1cccc(CCCCCCOc2cc(-c3cncnc3)cc(-c3ccsc3)c2)c1CCC(=O)O | 10.1021/jm1001919 | ||
| CHEMBL1099334 | 9125 | 0 | None | - | 1 | Human | 9.4 | pIC50 | = | 9.4 | Functional | ChEMBL | 588 | 18 | 2 | 7 | 7.3 | O=C(O)CCCOc1cccc(CCCCCCOc2cc(-c3cncnc3)cc(-c3ccsc3)c2)c1CCC(=O)O | 10.1021/jm1001919 | ||
| 25192022 | 3355 | 7 | None | 21 | 2 | Human | 9.4 | pIC50 | = | 9.4 | Functional | ChEMBL | 630 | 18 | 2 | 7 | 8.3 | OC(=O)CCc1c(CCCCCCOc2cc(cc(c2)c2ccc3c(c2)OCO3)c2ccsc2)cccc1OCCCC(=O)O | 10.1021/jm1001919 | ||
| 6158 | 3355 | 7 | None | 21 | 2 | Human | 9.4 | pIC50 | = | 9.4 | Functional | ChEMBL | 630 | 18 | 2 | 7 | 8.3 | OC(=O)CCc1c(CCCCCCOc2cc(cc(c2)c2ccc3c(c2)OCO3)c2ccsc2)cccc1OCCCC(=O)O | 10.1021/jm1001919 | ||
| CHEMBL1098560 | 3355 | 7 | None | 21 | 2 | Human | 9.4 | pIC50 | = | 9.4 | Functional | ChEMBL | 630 | 18 | 2 | 7 | 8.3 | OC(=O)CCc1c(CCCCCCOc2cc(cc(c2)c2ccc3c(c2)OCO3)c2ccsc2)cccc1OCCCC(=O)O | 10.1021/jm1001919 | ||
| 23501721 | 9121 | 0 | None | 316 | 2 | Human | 9.3 | pIC50 | = | 9.3 | Functional | ChEMBL | 581 | 18 | 2 | 5 | 7.9 | O=C(O)CCCOc1cccc(CCCCCCOc2cc(-c3ccccc3)cc(-c3ccccc3)n2)c1CCC(=O)O | 10.1021/jm1001919 | ||
| CHEMBL1099330 | 9121 | 0 | None | 316 | 2 | Human | 9.3 | pIC50 | = | 9.3 | Functional | ChEMBL | 581 | 18 | 2 | 5 | 7.9 | O=C(O)CCCOc1cccc(CCCCCCOc2cc(-c3ccccc3)cc(-c3ccccc3)n2)c1CCC(=O)O | 10.1021/jm1001919 | ||
| 25192325 | 9124 | 0 | None | - | 1 | Human | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 621 | 18 | 2 | 6 | 8.6 | O=C(O)CCCOc1cccc(CCCCCCOc2cc(-c3ccsc3)cc(-c3ccnc(Cl)c3)c2)c1CCC(=O)O | 10.1021/jm1001919 | ||
| CHEMBL1099333 | 9124 | 0 | None | - | 1 | Human | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 621 | 18 | 2 | 6 | 8.6 | O=C(O)CCCOc1cccc(CCCCCCOc2cc(-c3ccsc3)cc(-c3ccnc(Cl)c3)c2)c1CCC(=O)O | 10.1021/jm1001919 | ||
| 25192326 | 9030 | 0 | None | - | 1 | Human | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 592 | 18 | 2 | 6 | 8.6 | O=C(O)CCCOc1cccc(CCCCCCOc2cc(-c3ccsc3)cc(-c3ccsc3)c2)c1CCC(=O)O | 10.1021/jm1001919 | ||
| CHEMBL1098550 | 9030 | 0 | None | - | 1 | Human | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 592 | 18 | 2 | 6 | 8.6 | O=C(O)CCCOc1cccc(CCCCCCOc2cc(-c3ccsc3)cc(-c3ccsc3)c2)c1CCC(=O)O | 10.1021/jm1001919 | ||
| 25192327 | 9128 | 0 | None | - | 1 | Human | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 624 | 18 | 2 | 6 | 8.2 | O=C(O)CCCOc1cccc(CCCCCCOc2cc(-c3ccccc3)cc(-c3ccc4c(c3)OCO4)c2)c1CCC(=O)O | 10.1021/jm1001919 | ||
| CHEMBL1099337 | 9128 | 0 | None | - | 1 | Human | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 624 | 18 | 2 | 6 | 8.2 | O=C(O)CCCOc1cccc(CCCCCCOc2cc(-c3ccccc3)cc(-c3ccc4c(c3)OCO4)c2)c1CCC(=O)O | 10.1021/jm1001919 | ||
| 25192468 | 8534 | 0 | None | - | 1 | Human | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 642 | 18 | 2 | 6 | 8.3 | O=C(O)CCCOc1cccc(CCCCCCOc2cc(-c3ccc4c(c3)OCO4)cc(-c3ccccc3F)c2)c1CCC(=O)O | 10.1021/jm1001919 | ||
| CHEMBL1094349 | 8534 | 0 | None | - | 1 | Human | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 642 | 18 | 2 | 6 | 8.3 | O=C(O)CCCOc1cccc(CCCCCCOc2cc(-c3ccc4c(c3)OCO4)cc(-c3ccccc3F)c2)c1CCC(=O)O | 10.1021/jm1001919 | ||
| 132379 | 111732 | 19 | None | - | 1 | Human | 9.1 | pIC50 | = | 9.1 | Functional | ChEMBL | 453 | 9 | 1 | 3 | 5.4 | CN(CCc1ccccc1)C(=O)Cc1cc(C(=O)O)cc2c(OCc3ccccc3)cccc12 | 10.1021/jm00100a034 | ||
| CHEMBL328712 | 111732 | 19 | None | - | 1 | Human | 9.1 | pIC50 | = | 9.1 | Functional | ChEMBL | 453 | 9 | 1 | 3 | 5.4 | CN(CCc1ccccc1)C(=O)Cc1cc(C(=O)O)cc2c(OCc3ccccc3)cccc12 | 10.1021/jm00100a034 | ||
| 25192471 | 8533 | 0 | None | 15 | 2 | Human | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 642 | 18 | 2 | 6 | 8.3 | O=C(O)CCCOc1cccc(CCCCCCOc2cc(-c3cccc(F)c3)cc(-c3ccc4c(c3)OCO4)c2)c1CCC(=O)O | 10.1021/jm1001919 | ||
| CHEMBL1094348 | 8533 | 0 | None | 15 | 2 | Human | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 642 | 18 | 2 | 6 | 8.3 | O=C(O)CCCOc1cccc(CCCCCCOc2cc(-c3cccc(F)c3)cc(-c3ccc4c(c3)OCO4)c2)c1CCC(=O)O | 10.1021/jm1001919 | ||
| 10319829 | 26118 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 417 | 11 | 1 | 3 | 6.9 | CC(C)(CCCCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1)C(=O)O | 10.1021/jm00101a008 | ||
| CHEMBL135612 | 26118 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 417 | 11 | 1 | 3 | 6.9 | CC(C)(CCCCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1)C(=O)O | 10.1021/jm00101a008 | ||
| 10341135 | 29388 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 403 | 10 | 1 | 3 | 6.5 | CC(C)(CCCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1)C(=O)O | 10.1021/jm00101a008 | ||
| CHEMBL138380 | 29388 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 403 | 10 | 1 | 3 | 6.5 | CC(C)(CCCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1)C(=O)O | 10.1021/jm00101a008 | ||
| 10047140 | 27607 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 409 | 9 | 1 | 3 | 6.3 | CC(CCCCOc1cc(-c2cccc(Cl)c2)cc(-c2ccccc2)n1)C(=O)O | 10.1021/jm00101a008 | ||
| CHEMBL136960 | 27607 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 409 | 9 | 1 | 3 | 6.3 | CC(CCCCOc1cc(-c2cccc(Cl)c2)cc(-c2ccccc2)n1)C(=O)O | 10.1021/jm00101a008 | ||
| 14946858 | 29161 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 375 | 9 | 0 | 4 | 5.5 | COC(=O)CCCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1 | 10.1021/jm00101a008 | ||
| CHEMBL138174 | 29161 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 375 | 9 | 0 | 4 | 5.5 | COC(=O)CCCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1 | 10.1021/jm00101a008 | ||
| 6444688 | 187320 | 35 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 502 | 14 | 2 | 5 | 5.9 | COc1ccc(/C=C/CCCCOc2ccc(C(=O)c3cccc(C(=O)O)c3)cc2CCC(=O)O)cc1 | 10.1021/jm00101a008 | ||
| CHEMBL49302 | 187320 | 35 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 502 | 14 | 2 | 5 | 5.9 | COc1ccc(/C=C/CCCCOc2ccc(C(=O)c3cccc(C(=O)O)c3)cc2CCC(=O)O)cc1 | 10.1021/jm00101a008 | ||
| 10071290 | 28100 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 429 | 9 | 1 | 3 | 6.5 | O=C(O)CCCCCOc1cc(-c2ccc(C(F)(F)F)cc2)cc(-c2ccccc2)n1 | 10.1021/jm00101a008 | ||
| CHEMBL137303 | 28100 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 429 | 9 | 1 | 3 | 6.5 | O=C(O)CCCCCOc1cc(-c2ccc(C(F)(F)F)cc2)cc(-c2ccccc2)n1 | 10.1021/jm00101a008 | ||
| 25192022 | 3355 | 7 | None | 21 | 2 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 630 | 18 | 2 | 7 | 8.3 | OC(=O)CCc1c(CCCCCCOc2cc(cc(c2)c2ccc3c(c2)OCO3)c2ccsc2)cccc1OCCCC(=O)O | 10.1021/jm1001919 | ||
| 6158 | 3355 | 7 | None | 21 | 2 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 630 | 18 | 2 | 7 | 8.3 | OC(=O)CCc1c(CCCCCCOc2cc(cc(c2)c2ccc3c(c2)OCO3)c2ccsc2)cccc1OCCCC(=O)O | 10.1021/jm1001919 | ||
| CHEMBL1098560 | 3355 | 7 | None | 21 | 2 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 630 | 18 | 2 | 7 | 8.3 | OC(=O)CCc1c(CCCCCCOc2cc(cc(c2)c2ccc3c(c2)OCO3)c2ccsc2)cccc1OCCCC(=O)O | 10.1021/jm1001919 | ||
| 6444688 | 187320 | 35 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 502 | 14 | 2 | 5 | 5.9 | COc1ccc(/C=C/CCCCOc2ccc(C(=O)c3cccc(C(=O)O)c3)cc2CCC(=O)O)cc1 | 10.1021/jm00100a034 | ||
| CHEMBL49302 | 187320 | 35 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 502 | 14 | 2 | 5 | 5.9 | COc1ccc(/C=C/CCCCOc2ccc(C(=O)c3cccc(C(=O)O)c3)cc2CCC(=O)O)cc1 | 10.1021/jm00100a034 | ||
| 10343923 | 27783 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 453 | 9 | 1 | 5 | 6.1 | CC(CCCCOc1cc(-c2ccc3c(c2)OCO3)cc(-c2ccccc2Cl)n1)C(=O)O | 10.1021/jm00101a008 | ||
| CHEMBL137074 | 27783 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 453 | 9 | 1 | 5 | 6.1 | CC(CCCCOc1cc(-c2ccc3c(c2)OCO3)cc(-c2ccccc2Cl)n1)C(=O)O | 10.1021/jm00101a008 | ||
| 10477988 | 28143 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 433 | 9 | 1 | 5 | 5.8 | CC(C)(CCCCOc1cc(-c2ccc3c(c2)OCO3)cc(-c2ccccc2)n1)C(=O)O | 10.1021/jm00101a008 | ||
| CHEMBL137330 | 28143 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 433 | 9 | 1 | 5 | 5.8 | CC(C)(CCCCOc1cc(-c2ccc3c(c2)OCO3)cc(-c2ccccc2)n1)C(=O)O | 10.1021/jm00101a008 | ||
| 10364772 | 28160 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 419 | 9 | 1 | 5 | 5.4 | CC(CCCCOc1cc(-c2ccc3c(c2)OCO3)cc(-c2ccccc2)n1)C(=O)O | 10.1021/jm00101a008 | ||
| CHEMBL137341 | 28160 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 419 | 9 | 1 | 5 | 5.4 | CC(CCCCOc1cc(-c2ccc3c(c2)OCO3)cc(-c2ccccc2)n1)C(=O)O | 10.1021/jm00101a008 | ||
| 25192471 | 8533 | 0 | None | 15 | 2 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 642 | 18 | 2 | 6 | 8.3 | O=C(O)CCCOc1cccc(CCCCCCOc2cc(-c3cccc(F)c3)cc(-c3ccc4c(c3)OCO4)c2)c1CCC(=O)O | 10.1021/jm1001919 | ||
| CHEMBL1094348 | 8533 | 0 | None | 15 | 2 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 642 | 18 | 2 | 6 | 8.3 | O=C(O)CCCOc1cccc(CCCCCCOc2cc(-c3cccc(F)c3)cc(-c3ccc4c(c3)OCO4)c2)c1CCC(=O)O | 10.1021/jm1001919 | ||
| 6444688 | 187320 | 35 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 502 | 14 | 2 | 5 | 5.9 | COc1ccc(/C=C/CCCCOc2ccc(C(=O)c3cccc(C(=O)O)c3)cc2CCC(=O)O)cc1 | 10.1021/jm960088k | ||
| CHEMBL49302 | 187320 | 35 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 502 | 14 | 2 | 5 | 5.9 | COc1ccc(/C=C/CCCCOc2ccc(C(=O)c3cccc(C(=O)O)c3)cc2CCC(=O)O)cc1 | 10.1021/jm960088k | ||
| 46888200 | 9127 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 637 | 18 | 3 | 4 | 9.1 | O=C(O)CCCOc1cccc(CCCCCCOc2cc(-c3cccc(F)c3)cc(-c3ccc4[nH]ccc4c3)c2)c1CCC(=O)O | 10.1021/jm1001919 | ||
| CHEMBL1099336 | 9127 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 637 | 18 | 3 | 4 | 9.1 | O=C(O)CCCOc1cccc(CCCCCCOc2cc(-c3cccc(F)c3)cc(-c3ccc4[nH]ccc4c3)c2)c1CCC(=O)O | 10.1021/jm1001919 | ||
| 10341242 | 28153 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 405 | 10 | 1 | 4 | 5.7 | COc1cccc(-c2cc(OCCCCC(C)C(=O)O)nc(-c3ccccc3)c2)c1 | 10.1021/jm00101a008 | ||
| CHEMBL137336 | 28153 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 405 | 10 | 1 | 4 | 5.7 | COc1cccc(-c2cc(OCCCCC(C)C(=O)O)nc(-c3ccccc3)c2)c1 | 10.1021/jm00101a008 | ||
| 6450158 | 187174 | 20 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 516 | 12 | 2 | 6 | 5.9 | COc1ccc(/C=C/CCCCOc2ccc3c(=O)c4cc(C(=O)O)ccc4oc3c2CCC(=O)O)cc1 | 10.1021/jm00064a006 | ||
| CHEMBL49210 | 187174 | 20 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 516 | 12 | 2 | 6 | 5.9 | COc1ccc(/C=C/CCCCOc2ccc3c(=O)c4cc(C(=O)O)ccc4oc3c2CCC(=O)O)cc1 | 10.1021/jm00064a006 | ||
| 46888199 | 9120 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 696 | 18 | 2 | 8 | 8.0 | O=C(O)CCCOc1cccc(CCCCCCOc2cc(-c3ccc4c(c3)OCCO4)cc(-c3ccc4c(c3)OCCO4)c2)c1CCC(=O)O | 10.1021/jm1001919 | ||
| CHEMBL1099329 | 9120 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 696 | 18 | 2 | 8 | 8.0 | O=C(O)CCCOc1cccc(CCCCCCOc2cc(-c3ccc4c(c3)OCCO4)cc(-c3ccc4c(c3)OCCO4)c2)c1CCC(=O)O | 10.1021/jm1001919 | ||
| 114999 | 3538 | 21 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 484 | 13 | 1 | 6 | 5.4 | CCCc1c(OCCCOc2ccc(c(c2CCC)OC)C(=O)C)ccc2c1OC(CC2)C(=O)O | 10.1016/0960-894X(95)00135-G | ||
| 6156 | 3538 | 21 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 484 | 13 | 1 | 6 | 5.4 | CCCc1c(OCCCOc2ccc(c(c2CCC)OC)C(=O)C)ccc2c1OC(CC2)C(=O)O | 10.1016/0960-894X(95)00135-G | ||
| CHEMBL14823 | 3538 | 21 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 484 | 13 | 1 | 6 | 5.4 | CCCc1c(OCCCOc2ccc(c(c2CCC)OC)C(=O)C)ccc2c1OC(CC2)C(=O)O | 10.1016/0960-894X(95)00135-G | ||
| 44382384 | 59542 | 0 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 412 | 5 | 1 | 5 | 5.1 | CC(Oc1ccc2c(c1)OC[C@H](Cc1ccccn1)[C@@H]2O)c1ccc2ccccc2n1 | 10.1016/0960-894X(95)00135-G | ||
| CHEMBL171666 | 59542 | 0 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 412 | 5 | 1 | 5 | 5.1 | CC(Oc1ccc2c(c1)OC[C@H](Cc1ccccn1)[C@@H]2O)c1ccc2ccccc2n1 | 10.1016/0960-894X(95)00135-G | ||
| 10092630 | 27821 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 404 | 9 | 2 | 4 | 5.7 | CC(C)(CCCCOc1cc(-c2ccc(N)cc2)cc(-c2ccccc2)n1)C(=O)O | 10.1021/jm00101a008 | ||
| CHEMBL137104 | 27821 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 404 | 9 | 2 | 4 | 5.7 | CC(C)(CCCCOc1cc(-c2ccc(N)cc2)cc(-c2ccccc2)n1)C(=O)O | 10.1021/jm00101a008 | ||
| 10475503 | 28008 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 390 | 9 | 2 | 4 | 5.3 | CC(CCCCOc1cc(-c2ccc(N)cc2)cc(-c2ccccc2)n1)C(=O)O | 10.1021/jm00101a008 | ||
| CHEMBL137247 | 28008 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 390 | 9 | 2 | 4 | 5.3 | CC(CCCCOc1cc(-c2ccc(N)cc2)cc(-c2ccccc2)n1)C(=O)O | 10.1021/jm00101a008 | ||
| 10023244 | 26162 | 1 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 389 | 9 | 1 | 3 | 6.1 | CC(C)(CCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1)C(=O)O | 10.1021/jm00101a008 | ||
| CHEMBL135671 | 26162 | 1 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 389 | 9 | 1 | 3 | 6.1 | CC(C)(CCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1)C(=O)O | 10.1021/jm00101a008 | ||
| 44357534 | 26740 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 385 | 9 | 0 | 6 | 4.7 | c1ccc(-c2cc(OCCCCCn3cnnn3)nc(-c3ccccc3)c2)cc1 | 10.1021/jm00101a008 | ||
| CHEMBL136243 | 26740 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 385 | 9 | 0 | 6 | 4.7 | c1ccc(-c2cc(OCCCCCn3cnnn3)nc(-c3ccccc3)c2)cc1 | 10.1021/jm00101a008 | ||
| 10406292 | 28396 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 361 | 9 | 1 | 3 | 5.4 | O=C(O)CCCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1 | 10.1021/jm00101a008 | ||
| CHEMBL137504 | 28396 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 361 | 9 | 1 | 3 | 5.4 | O=C(O)CCCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1 | 10.1021/jm00101a008 | ||
| 9865985 | 28673 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 405 | 9 | 1 | 5 | 5.2 | O=C(O)CCCCCOc1cc(-c2ccc3c(c2)OCO3)cc(-c2ccccc2)n1 | 10.1021/jm00101a008 | ||
| CHEMBL137759 | 28673 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 405 | 9 | 1 | 5 | 5.2 | O=C(O)CCCCCOc1cc(-c2ccc3c(c2)OCO3)cc(-c2ccccc2)n1 | 10.1021/jm00101a008 | ||
| 10427789 | 27940 | 0 | None | - | 1 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 347 | 8 | 1 | 3 | 5.0 | O=C(O)CCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1 | 10.1021/jm00101a008 | ||
| CHEMBL137201 | 27940 | 0 | None | - | 1 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 347 | 8 | 1 | 3 | 5.0 | O=C(O)CCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1 | 10.1021/jm00101a008 | ||
| 23501721 | 9121 | 0 | None | 316 | 2 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 581 | 18 | 2 | 5 | 7.9 | O=C(O)CCCOc1cccc(CCCCCCOc2cc(-c3ccccc3)cc(-c3ccccc3)n2)c1CCC(=O)O | 10.1021/jm1001919 | ||
| CHEMBL1099330 | 9121 | 0 | None | 316 | 2 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 581 | 18 | 2 | 5 | 7.9 | O=C(O)CCCOc1cccc(CCCCCCOc2cc(-c3ccccc3)cc(-c3ccccc3)n2)c1CCC(=O)O | 10.1021/jm1001919 | ||
| 9976757 | 28501 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 375 | 9 | 1 | 3 | 5.7 | CC(CCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1)C(=O)O | 10.1021/jm00101a008 | ||
| CHEMBL137581 | 28501 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 375 | 9 | 1 | 3 | 5.7 | CC(CCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1)C(=O)O | 10.1021/jm00101a008 | ||
| 44382378 | 58869 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 412 | 5 | 1 | 5 | 5.1 | CC(Oc1ccc2c(c1)OC[C@@H](Cc1ccccn1)[C@@H]2O)c1ccc2ccccc2n1 | 10.1016/0960-894X(95)00135-G | ||
| CHEMBL168854 | 58869 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 412 | 5 | 1 | 5 | 5.1 | CC(Oc1ccc2c(c1)OC[C@@H](Cc1ccccn1)[C@@H]2O)c1ccc2ccccc2n1 | 10.1016/0960-894X(95)00135-G | ||
| 10474602 | 25979 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 375 | 10 | 1 | 3 | 5.8 | O=C(O)CCCCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1 | 10.1021/jm00101a008 | ||
| CHEMBL135434 | 25979 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 375 | 10 | 1 | 3 | 5.8 | O=C(O)CCCCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1 | 10.1021/jm00101a008 | ||
| 46888201 | 9129 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 654 | 19 | 2 | 7 | 8.2 | COc1ccc(-c2cc(OCCCCCCc3cccc(OCCCC(=O)O)c3CCC(=O)O)cc(-c3ccc4c(c3)OCO4)c2)cc1 | 10.1021/jm1001919 | ||
| CHEMBL1099338 | 9129 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 654 | 19 | 2 | 7 | 8.2 | COc1ccc(-c2cc(OCCCCCCc3cccc(OCCCC(=O)O)c3CCC(=O)O)cc(-c3ccc4c(c3)OCO4)c2)cc1 | 10.1021/jm1001919 | ||
| 3368 | 1173 | 26 | None | -3 | 2 | Mouse | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 428 | 5 | 2 | 3 | 5.5 | OC(=O)C1(CCCC1)c1ccc2c(c1)OC[C@@H]([C@H]2O)Cc1ccc(cc1)c1ccccc1 | 10.1021/jm00046a001 | ||
| 9867257 | 1173 | 26 | None | -3 | 2 | Mouse | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 428 | 5 | 2 | 3 | 5.5 | OC(=O)C1(CCCC1)c1ccc2c(c1)OC[C@@H]([C@H]2O)Cc1ccc(cc1)c1ccccc1 | 10.1021/jm00046a001 | ||
| CHEMBL51770 | 1173 | 26 | None | -3 | 2 | Mouse | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 428 | 5 | 2 | 3 | 5.5 | OC(=O)C1(CCCC1)c1ccc2c(c1)OC[C@@H]([C@H]2O)Cc1ccc(cc1)c1ccccc1 | 10.1021/jm00046a001 | ||
| 10001576 | 28381 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 409 | 9 | 1 | 3 | 6.3 | CC(CCCCOc1cc(-c2ccc(Cl)cc2)cc(-c2ccccc2)n1)C(=O)O | 10.1021/jm00101a008 | ||
| CHEMBL137494 | 28381 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 409 | 9 | 1 | 3 | 6.3 | CC(CCCCOc1cc(-c2ccc(Cl)cc2)cc(-c2ccccc2)n1)C(=O)O | 10.1021/jm00101a008 | ||
| 10046878 | 28433 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 405 | 10 | 1 | 4 | 5.7 | COc1ccc(-c2cc(OCCCCC(C)C(=O)O)nc(-c3ccccc3)c2)cc1 | 10.1021/jm00101a008 | ||
| CHEMBL137531 | 28433 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 405 | 10 | 1 | 4 | 5.7 | COc1ccc(-c2cc(OCCCCC(C)C(=O)O)nc(-c3ccccc3)c2)cc1 | 10.1021/jm00101a008 | ||
| 46888196 | 9116 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 640 | 20 | 2 | 6 | 8.5 | COc1ccc(-c2cc(OCCCCCCc3cccc(OCCCC(=O)O)c3CCC(=O)O)cc(-c3ccc(OC)cc3)c2)cc1 | 10.1021/jm1001919 | ||
| CHEMBL1099325 | 9116 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 640 | 20 | 2 | 6 | 8.5 | COc1ccc(-c2cc(OCCCCCCc3cccc(OCCCC(=O)O)c3CCC(=O)O)cc(-c3ccc(OC)cc3)c2)cc1 | 10.1021/jm1001919 | ||
| 44382275 | 59737 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 412 | 5 | 1 | 5 | 5.1 | C[C@@H](Oc1ccc2c(c1)OC[C@@H](Cc1cccnc1)[C@@H]2O)c1ccc2ccccc2n1 | 10.1016/0960-894X(95)00135-G | ||
| CHEMBL172457 | 59737 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 412 | 5 | 1 | 5 | 5.1 | C[C@@H](Oc1ccc2c(c1)OC[C@@H](Cc1cccnc1)[C@@H]2O)c1ccc2ccccc2n1 | 10.1016/0960-894X(95)00135-G | ||
| 25192021 | 9114 | 0 | None | 223 | 2 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 580 | 18 | 2 | 4 | 8.5 | O=C(O)CCCOc1cccc(CCCCCCOc2cc(-c3ccccc3)cc(-c3ccccc3)c2)c1CCC(=O)O | 10.1021/jm1001919 | ||
| CHEMBL1099323 | 9114 | 0 | None | 223 | 2 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 580 | 18 | 2 | 4 | 8.5 | O=C(O)CCCOc1cccc(CCCCCCOc2cc(-c3ccccc3)cc(-c3ccccc3)c2)c1CCC(=O)O | 10.1021/jm1001919 | ||
| 44382276 | 120316 | 0 | None | - | 1 | Human | 4.4 | pIC50 | = | 4.4 | Functional | ChEMBL | 412 | 5 | 1 | 5 | 5.1 | CC(Oc1ccc2c(c1)OC[C@H](Cc1cccnc1)[C@@H]2O)c1ccc2ccccc2n1 | 10.1016/0960-894X(95)00135-G | ||
| CHEMBL352814 | 120316 | 0 | None | - | 1 | Human | 4.4 | pIC50 | = | 4.4 | Functional | ChEMBL | 412 | 5 | 1 | 5 | 5.1 | CC(Oc1ccc2c(c1)OC[C@H](Cc1cccnc1)[C@@H]2O)c1ccc2ccccc2n1 | 10.1016/0960-894X(95)00135-G | ||
| 9978895 | 118976 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 409 | 9 | 1 | 3 | 6.3 | CC(CCCCOc1cc(-c2ccccc2)cc(-c2ccccc2Cl)n1)C(=O)O | 10.1021/jm00101a008 | ||
| CHEMBL342416 | 118976 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 409 | 9 | 1 | 3 | 6.3 | CC(CCCCOc1cc(-c2ccccc2)cc(-c2ccccc2Cl)n1)C(=O)O | 10.1021/jm00101a008 | ||
| 10021742 | 9456 | 6 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 365 | 4 | 1 | 7 | 2.6 | Cn1c(N)nc(Cc2ccc3c(c2)OCO3)c1Cc1ccc2c(c1)OCO2 | 10.1021/np50100a005 | ||
| CHEMBL111825 | 9456 | 6 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 365 | 4 | 1 | 7 | 2.6 | Cn1c(N)nc(Cc2ccc3c(c2)OCO3)c1Cc1ccc2c(c1)OCO2 | 10.1021/np50100a005 | ||
| 44356239 | 27842 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 361 | 8 | 0 | 2 | 4.9 | CN(CCc1ccccc1)C(=O)CC1=CC=C(OCc2ccccc2)CC1 | 10.1021/jm00100a034 | ||
| CHEMBL137121 | 27842 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 361 | 8 | 0 | 2 | 4.9 | CN(CCc1ccccc1)C(=O)CC1=CC=C(OCc2ccccc2)CC1 | 10.1021/jm00100a034 | ||
| 46888197 | 9118 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 582 | 18 | 2 | 6 | 7.3 | O=C(O)CCCOc1cccc(CCCCCCOc2cc(-c3ccccc3)cc(-c3cncnc3)c2)c1CCC(=O)O | 10.1021/jm1001919 | ||
| CHEMBL1099327 | 9118 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 582 | 18 | 2 | 6 | 7.3 | O=C(O)CCCOc1cccc(CCCCCCOc2cc(-c3ccccc3)cc(-c3cncnc3)c2)c1CCC(=O)O | 10.1021/jm1001919 | ||
| 46888198 | 9119 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 668 | 18 | 2 | 8 | 7.9 | O=C(O)CCCOc1cccc(CCCCCCOc2cc(-c3ccc4c(c3)OCO4)cc(-c3ccc4c(c3)OCO4)c2)c1CCC(=O)O | 10.1021/jm1001919 | ||
| CHEMBL1099328 | 9119 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 668 | 18 | 2 | 8 | 7.9 | O=C(O)CCCOc1cccc(CCCCCCOc2cc(-c3ccc4c(c3)OCO4)cc(-c3ccc4c(c3)OCO4)c2)c1CCC(=O)O | 10.1021/jm1001919 | ||
| 9934323 | 100253 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 468 | 14 | 2 | 5 | 6.2 | CCCCCCCCCCOc1ccc2c(=O)c3cc(C(=O)O)ccc3oc2c1CCC(=O)O | 10.1021/jm00064a006 | ||
| CHEMBL288758 | 100253 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 468 | 14 | 2 | 5 | 6.2 | CCCCCCCCCCOc1ccc2c(=O)c3cc(C(=O)O)ccc3oc2c1CCC(=O)O | 10.1021/jm00064a006 | ||
| 10091738 | 27803 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 389 | 9 | 1 | 3 | 6.0 | Cc1ccc(-c2cc(OCCCCC(C)C(=O)O)nc(-c3ccccc3)c2)cc1 | 10.1021/jm00101a008 | ||
| CHEMBL137089 | 27803 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 389 | 9 | 1 | 3 | 6.0 | Cc1ccc(-c2cc(OCCCCC(C)C(=O)O)nc(-c3ccccc3)c2)cc1 | 10.1021/jm00101a008 | ||
| 46888202 | 8535 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 656 | 18 | 2 | 6 | 8.4 | O=C(O)CCCOc1cccc(CCCCCCOc2cc(-c3ccc(F)cc3)cc(-c3ccc4c(c3)OCCO4)c2)c1CCC(=O)O | 10.1021/jm1001919 | ||
| CHEMBL1094350 | 8535 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 656 | 18 | 2 | 6 | 8.4 | O=C(O)CCCOc1cccc(CCCCCCOc2cc(-c3ccc(F)cc3)cc(-c3ccc4c(c3)OCCO4)c2)c1CCC(=O)O | 10.1021/jm1001919 | ||
| 44382468 | 59088 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 412 | 5 | 1 | 5 | 5.1 | C[C@H](Oc1ccc2c(c1)OC[C@@H](Cc1cccnc1)[C@@H]2O)c1ccc2ccccc2n1 | 10.1016/0960-894X(95)00135-G | ||
| CHEMBL169639 | 59088 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 412 | 5 | 1 | 5 | 5.1 | C[C@H](Oc1ccc2c(c1)OC[C@@H](Cc1cccnc1)[C@@H]2O)c1ccc2ccccc2n1 | 10.1016/0960-894X(95)00135-G | ||
| 10430674 | 119338 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 393 | 9 | 1 | 3 | 5.8 | CC(CCCCOc1cc(-c2ccccc2)cc(-c2ccccc2F)n1)C(=O)O | 10.1021/jm00101a008 | ||
| CHEMBL344230 | 119338 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 393 | 9 | 1 | 3 | 5.8 | CC(CCCCOc1cc(-c2ccccc2)cc(-c2ccccc2F)n1)C(=O)O | 10.1021/jm00101a008 | ||
| 25174150 | 9117 | 0 | None | 64 | 2 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 582 | 18 | 2 | 6 | 7.3 | O=C(O)CCCOc1cccc(CCCCCCOc2cc(-c3ccncc3)cc(-c3ccncc3)c2)c1CCC(=O)O | 10.1021/jm1001919 | ||
| CHEMBL1099326 | 9117 | 0 | None | 64 | 2 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 582 | 18 | 2 | 6 | 7.3 | O=C(O)CCCOc1cccc(CCCCCCOc2cc(-c3ccncc3)cc(-c3ccncc3)c2)c1CCC(=O)O | 10.1021/jm1001919 | ||
| 44357546 | 116753 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 399 | 9 | 0 | 6 | 5.2 | CC(CCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1)n1cnnn1 | 10.1021/jm00101a008 | ||
| CHEMBL337563 | 116753 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 399 | 9 | 0 | 6 | 5.2 | CC(CCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1)n1cnnn1 | 10.1021/jm00101a008 | ||
| 46888195 | 9115 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 616 | 18 | 2 | 4 | 8.7 | O=C(O)CCCOc1cccc(CCCCCCOc2cc(-c3ccc(F)cc3)cc(-c3ccc(F)cc3)c2)c1CCC(=O)O | 10.1021/jm1001919 | ||
| CHEMBL1099324 | 9115 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 616 | 18 | 2 | 4 | 8.7 | O=C(O)CCCOc1cccc(CCCCCCOc2cc(-c3ccc(F)cc3)cc(-c3ccc(F)cc3)c2)c1CCC(=O)O | 10.1021/jm1001919 | ||
| 122023 | 50795 | 60 | None | 1 | 3 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 360 | 10 | 2 | 6 | 3.6 | CCc1cc(C(C)=O)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1021/jm960088k | ||
| CHEMBL15766 | 50795 | 60 | None | 1 | 3 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 360 | 10 | 2 | 6 | 3.6 | CCc1cc(C(C)=O)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1021/jm960088k | ||
| CHEMBL45460 | 50795 | 60 | None | 1 | 3 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 360 | 10 | 2 | 6 | 3.6 | CCc1cc(C(C)=O)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1021/jm960088k | ||
| 132379 | 111732 | 19 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 453 | 9 | 1 | 3 | 5.4 | CN(CCc1ccccc1)C(=O)Cc1cc(C(=O)O)cc2c(OCc3ccccc3)cccc12 | 10.1021/jm00100a034 | ||
| CHEMBL328712 | 111732 | 19 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 453 | 9 | 1 | 3 | 5.4 | CN(CCc1ccccc1)C(=O)Cc1cc(C(=O)O)cc2c(OCc3ccccc3)cccc12 | 10.1021/jm00100a034 | ||
| 3368 | 1173 | 26 | None | 3 | 2 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 428 | 5 | 2 | 3 | 5.5 | OC(=O)C1(CCCC1)c1ccc2c(c1)OC[C@@H]([C@H]2O)Cc1ccc(cc1)c1ccccc1 | 10.1021/jm00046a001 | ||
| 9867257 | 1173 | 26 | None | 3 | 2 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 428 | 5 | 2 | 3 | 5.5 | OC(=O)C1(CCCC1)c1ccc2c(c1)OC[C@@H]([C@H]2O)Cc1ccc(cc1)c1ccccc1 | 10.1021/jm00046a001 | ||
| CHEMBL51770 | 1173 | 26 | None | 3 | 2 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 428 | 5 | 2 | 3 | 5.5 | OC(=O)C1(CCCC1)c1ccc2c(c1)OC[C@@H]([C@H]2O)Cc1ccc(cc1)c1ccccc1 | 10.1021/jm00046a001 | ||
| 10022413 | 27658 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 376 | 9 | 2 | 4 | 5.0 | Nc1ccc(-c2cc(OCCCCCC(=O)O)nc(-c3ccccc3)c2)cc1 | 10.1021/jm00101a008 | ||
| CHEMBL136991 | 27658 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 376 | 9 | 2 | 4 | 5.0 | Nc1ccc(-c2cc(OCCCCCC(=O)O)nc(-c3ccccc3)c2)cc1 | 10.1021/jm00101a008 | ||
| 10692884 | 188165 | 0 | None | - | 0 | Human | 8.0 | pKi | = | 8.0 | Functional | ChEMBL | 409 | 10 | 1 | 3 | 5.1 | CCN(CC)C(=O)/C=C(\C)c1ccc(OC(C)c2ccccc2)c(CCC(=O)O)c1 | 10.1021/jm980540v | ||
| CHEMBL49866 | 188165 | 0 | None | - | 0 | Human | 8.0 | pKi | = | 8.0 | Functional | ChEMBL | 409 | 10 | 1 | 3 | 5.1 | CCN(CC)C(=O)/C=C(\C)c1ccc(OC(C)c2ccccc2)c(CCC(=O)O)c1 | 10.1021/jm980540v | ||
| 60490 | 207261 | 106 | None | -8 | 2 | Human | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 236 | 2 | 2 | 3 | 2.7 | CC(c1cc2ccccc2s1)N(O)C(N)=O | None | ||
| CHEMBL93 | 207261 | 106 | None | -8 | 2 | Human | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 236 | 2 | 2 | 3 | 2.7 | CC(c1cc2ccccc2s1)N(O)C(N)=O | None | ||
| 71398 | 106439 | 44 | None | 3 | 14 | Human | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 302 | 5 | 4 | 4 | 3.6 | C[C@@H](Cc1ccc(O)c(O)c1)[C@H](C)Cc1ccc(O)c(O)c1 | None | ||
| CHEMBL313972 | 106439 | 44 | None | 3 | 14 | Human | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 302 | 5 | 4 | 4 | 3.6 | C[C@@H](Cc1ccc(O)c(O)c1)[C@H](C)Cc1ccc(O)c(O)c1 | None | ||
| 6157 | 2934 | 20 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | Guide to Pharmacology | 470 | 17 | 2 | 5 | 5.6 | COc1ccc(cc1)/C=C/CCCCOc1cccc(c1CCC(=O)O)OCCCCC(=O)O | 1332129 | ||
| 6438358 | 2934 | 20 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | Guide to Pharmacology | 470 | 17 | 2 | 5 | 5.6 | COc1ccc(cc1)/C=C/CCCCOc1cccc(c1CCC(=O)O)OCCCCC(=O)O | 1332129 | ||
| CHEMBL422420 | 2934 | 20 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | Guide to Pharmacology | 470 | 17 | 2 | 5 | 5.6 | COc1ccc(cc1)/C=C/CCCCOc1cccc(c1CCC(=O)O)OCCCCC(=O)O | 1332129 | ||
| 114999 | 3538 | 21 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | Guide to Pharmacology | 484 | 13 | 1 | 6 | 5.4 | CCCc1c(OCCCOc2ccc(c(c2CCC)OC)C(=O)C)ccc2c1OC(CC2)C(=O)O | 7786309 | ||
| 6156 | 3538 | 21 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | Guide to Pharmacology | 484 | 13 | 1 | 6 | 5.4 | CCCc1c(OCCCOc2ccc(c(c2CCC)OC)C(=O)C)ccc2c1OC(CC2)C(=O)O | 7786309 | ||
| CHEMBL14823 | 3538 | 21 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | Guide to Pharmacology | 484 | 13 | 1 | 6 | 5.4 | CCCc1c(OCCCOc2ccc(c(c2CCC)OC)C(=O)C)ccc2c1OC(CC2)C(=O)O | 7786309 | ||
| 3368 | 1173 | 26 | None | 3 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | Guide to Pharmacology | 428 | 5 | 2 | 3 | 5.5 | OC(=O)C1(CCCC1)c1ccc2c(c1)OC[C@@H]([C@H]2O)Cc1ccc(cc1)c1ccccc1 | 7714764 | ||
| 9867257 | 1173 | 26 | None | 3 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | Guide to Pharmacology | 428 | 5 | 2 | 3 | 5.5 | OC(=O)C1(CCCC1)c1ccc2c(c1)OC[C@@H]([C@H]2O)Cc1ccc(cc1)c1ccccc1 | 7714764 | ||
| CHEMBL51770 | 1173 | 26 | None | 3 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | Guide to Pharmacology | 428 | 5 | 2 | 3 | 5.5 | OC(=O)C1(CCCC1)c1ccc2c(c1)OC[C@@H]([C@H]2O)Cc1ccc(cc1)c1ccccc1 | 7714764 | ||
| 25192022 | 3355 | 7 | None | 21 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | Guide to Pharmacology | 630 | 18 | 2 | 7 | 8.3 | OC(=O)CCc1c(CCCCCCOc2cc(cc(c2)c2ccc3c(c2)OCO3)c2ccsc2)cccc1OCCCC(=O)O | 20214997 | ||
| 6158 | 3355 | 7 | None | 21 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | Guide to Pharmacology | 630 | 18 | 2 | 7 | 8.3 | OC(=O)CCc1c(CCCCCCOc2cc(cc(c2)c2ccc3c(c2)OCO3)c2ccsc2)cccc1OCCCC(=O)O | 20214997 | ||
| CHEMBL1098560 | 3355 | 7 | None | 21 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | Guide to Pharmacology | 630 | 18 | 2 | 7 | 8.3 | OC(=O)CCc1c(CCCCCCOc2cc(cc(c2)c2ccc3c(c2)OCO3)c2ccsc2)cccc1OCCCC(=O)O | 20214997 | ||
| 177941 | 1588 | 50 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | Guide to Pharmacology | 544 | 13 | 2 | 5 | 8.1 | CCCc1c(OCCCOc2cc(O)c(cc2CC)c2ccc(cc2)F)cccc1Oc1ccccc1C(=O)O | 9862783 | ||
| 2948 | 1588 | 50 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | Guide to Pharmacology | 544 | 13 | 2 | 5 | 8.1 | CCCc1c(OCCCOc2cc(O)c(cc2CC)c2ccc(cc2)F)cccc1Oc1ccccc1C(=O)O | 9862783 | ||
| CHEMBL329123 | 1588 | 50 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | Guide to Pharmacology | 544 | 13 | 2 | 5 | 8.1 | CCCc1c(OCCCOc2cc(O)c(cc2CC)c2ccc(cc2)F)cccc1Oc1ccccc1C(=O)O | 9862783 | ||
| DB12850 | 1588 | 50 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | Guide to Pharmacology | 544 | 13 | 2 | 5 | 8.1 | CCCc1c(OCCCOc2cc(O)c(cc2CC)c2ccc(cc2)F)cccc1Oc1ccccc1C(=O)O | 9862783 | ||
| 6154 | 634 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | Guide to Pharmacology | 466 | 9 | 3 | 4 | 6.2 | Oc1ccc(cc1)C(c1ccc(cc1)OCc1cccc(c1)COc1ccc(cc1)C(=N)N)(C)C | 11259574 | ||
| 6154 | 634 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | Guide to Pharmacology | 466 | 9 | 3 | 4 | 6.2 | Oc1ccc(cc1)C(c1ccc(cc1)OCc1cccc(c1)COc1ccc(cc1)C(=N)N)(C)C | 17170051 | ||
| 9956189 | 634 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | Guide to Pharmacology | 466 | 9 | 3 | 4 | 6.2 | Oc1ccc(cc1)C(c1ccc(cc1)OCc1cccc(c1)COc1ccc(cc1)C(=N)N)(C)C | 11259574 | ||
| 9956189 | 634 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | Guide to Pharmacology | 466 | 9 | 3 | 4 | 6.2 | Oc1ccc(cc1)C(c1ccc(cc1)OCc1cccc(c1)COc1ccc(cc1)C(=N)N)(C)C | 17170051 | ||
| 6155 | 1176 | 0 | None | 1318 | 2 | Human | 8.6 | pIC50 | = | 8.6 | Functional | Guide to Pharmacology | 428 | 4 | 2 | 3 | 5.4 | O[C@@H]1[C@H](COc2c1ccc(c2)c1cc(ccc1C(=O)O)C(F)(F)F)Cc1ccccc1 | 9618393 | ||
| 9823886 | 1176 | 0 | None | 1318 | 2 | Human | 8.6 | pIC50 | = | 8.6 | Functional | Guide to Pharmacology | 428 | 4 | 2 | 3 | 5.4 | O[C@@H]1[C@H](COc2c1ccc(c2)c1cc(ccc1C(=O)O)C(F)(F)F)Cc1ccccc1 | 9618393 | ||
| CHEMBL301829 | 1176 | 0 | None | 1318 | 2 | Human | 8.6 | pIC50 | = | 8.6 | Functional | Guide to Pharmacology | 428 | 4 | 2 | 3 | 5.4 | O[C@@H]1[C@H](COc2c1ccc(c2)c1cc(ccc1C(=O)O)C(F)(F)F)Cc1ccccc1 | 9618393 | ||
| DB13053 | 1176 | 0 | None | 1318 | 2 | Human | 8.6 | pIC50 | = | 8.6 | Functional | Guide to Pharmacology | 428 | 4 | 2 | 3 | 5.4 | O[C@@H]1[C@H](COc2c1ccc(c2)c1cc(ccc1C(=O)O)C(F)(F)F)Cc1ccccc1 | 9618393 | ||
| 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 |
| 44379678 | 164922 | 0 | None | - | 0 | Human | 10.0 | pIC50 | = | 10 | Binding | ChEMBL | 527 | 14 | 2 | 6 | 5.4 | CCCc1c(OCCCOc2ccc(C(=O)NC(C)C)c(OC)c2CCC)ccc2c1OC(C(=O)O)CC2 | 10.1016/S0960-894X(01)80853-2 | |||
| CHEMBL422388 | 164922 | 0 | None | - | 0 | Human | 10.0 | pIC50 | = | 10 | Binding | ChEMBL | 527 | 14 | 2 | 6 | 5.4 | CCCc1c(OCCCOc2ccc(C(=O)NC(C)C)c(OC)c2CCC)ccc2c1OC(C(=O)O)CC2 | 10.1016/S0960-894X(01)80853-2 | |||
| 44379453 | 58085 | 0 | None | - | 0 | Human | 9.8 | pIC50 | = | 9.8 | Binding | ChEMBL | 513 | 13 | 1 | 6 | 4.9 | CCCc1c(OCCCOc2ccc(C(=O)N(C)C)c(OC)c2CCC)ccc2c1OC(C(=O)O)CC2 | 10.1016/S0960-894X(01)80853-2 | |||
| CHEMBL167350 | 58085 | 0 | None | - | 0 | Human | 9.8 | pIC50 | = | 9.8 | Binding | ChEMBL | 513 | 13 | 1 | 6 | 4.9 | CCCc1c(OCCCOc2ccc(C(=O)N(C)C)c(OC)c2CCC)ccc2c1OC(C(=O)O)CC2 | 10.1016/S0960-894X(01)80853-2 | |||
| 15817161 | 58135 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 499 | 13 | 2 | 6 | 4.6 | CCCc1c(OCCCOc2ccc(C(=O)NC)c(OC)c2CCC)ccc2c1OC(C(=O)O)CC2 | 10.1016/S0960-894X(01)80853-2 | |||
| CHEMBL167804 | 58135 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 499 | 13 | 2 | 6 | 4.6 | CCCc1c(OCCCOc2ccc(C(=O)NC)c(OC)c2CCC)ccc2c1OC(C(=O)O)CC2 | 10.1016/S0960-894X(01)80853-2 | |||
| 9865985 | 28673 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 405 | 9 | 1 | 5 | 5.2 | O=C(O)CCCCCOc1cc(-c2ccc3c(c2)OCO3)cc(-c2ccccc2)n1 | 10.1021/jm00101a008 | |||
| CHEMBL137759 | 28673 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 405 | 9 | 1 | 5 | 5.2 | O=C(O)CCCCCOc1cc(-c2ccc3c(c2)OCO3)cc(-c2ccccc2)n1 | 10.1021/jm00101a008 | |||
| 114999 | 3538 | 21 | None | - | 1 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 484 | 13 | 1 | 6 | 5.4 | CCCc1c(OCCCOc2ccc(c(c2CCC)OC)C(=O)C)ccc2c1OC(CC2)C(=O)O | 10.1016/S0960-894X(01)80853-2 | |||
| 6156 | 3538 | 21 | None | - | 1 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 484 | 13 | 1 | 6 | 5.4 | CCCc1c(OCCCOc2ccc(c(c2CCC)OC)C(=O)C)ccc2c1OC(CC2)C(=O)O | 10.1016/S0960-894X(01)80853-2 | |||
| CHEMBL14823 | 3538 | 21 | None | - | 1 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 484 | 13 | 1 | 6 | 5.4 | CCCc1c(OCCCOc2ccc(c(c2CCC)OC)C(=O)C)ccc2c1OC(CC2)C(=O)O | 10.1016/S0960-894X(01)80853-2 | |||
| 204058 | 163459 | 8 | None | - | 1 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 539 | 15 | 2 | 6 | 5.4 | CCCc1c(OCCCOc2ccc(C(=O)NC)c(OC)c2CC2CC2)ccc2c1O[C@H](CCC(=O)O)CC2 | 10.1021/jm960088k | |||
| CHEMBL419948 | 163459 | 8 | None | - | 1 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 539 | 15 | 2 | 6 | 5.4 | CCCc1c(OCCCOc2ccc(C(=O)NC)c(OC)c2CC2CC2)ccc2c1O[C@H](CCC(=O)O)CC2 | 10.1021/jm960088k | |||
| 196905 | 111631 | 8 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 539 | 15 | 2 | 6 | 5.4 | CCCc1c(OCCCOc2ccc(C(=O)NC)c(OC)c2CC2CC2)ccc2c1OC(CCC(=O)O)CC2 | 10.1021/jm960088k | |||
| CHEMBL328492 | 111631 | 8 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 539 | 15 | 2 | 6 | 5.4 | CCCc1c(OCCCOc2ccc(C(=O)NC)c(OC)c2CC2CC2)ccc2c1OC(CCC(=O)O)CC2 | 10.1021/jm960088k | |||
| 2487 | 2368 | 36 | None | 31 | 2 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 336 | 14 | 3 | 3 | 4.2 | CCCCC/C=C\C[C@H](/C=C/C=C/C=C\[C@H](CCCC(=O)O)O)O | 10.1016/S0960-894X(01)80999-9 | |||
| 5280492 | 2368 | 36 | None | 31 | 2 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 336 | 14 | 3 | 3 | 4.2 | CCCCC/C=C\C[C@H](/C=C/C=C/C=C\[C@H](CCCC(=O)O)O)O | 10.1016/S0960-894X(01)80999-9 | |||
| CHEMBL65061 | 2368 | 36 | None | 31 | 2 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 336 | 14 | 3 | 3 | 4.2 | CCCCC/C=C\C[C@H](/C=C/C=C/C=C\[C@H](CCCC(=O)O)O)O | 10.1016/S0960-894X(01)80999-9 | |||
| DB12961 | 2368 | 36 | None | 31 | 2 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 336 | 14 | 3 | 3 | 4.2 | CCCCC/C=C\C[C@H](/C=C/C=C/C=C\[C@H](CCCC(=O)O)O)O | 10.1016/S0960-894X(01)80999-9 | |||
| 6444688 | 187320 | 35 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 502 | 14 | 2 | 5 | 5.9 | COc1ccc(/C=C/CCCCOc2ccc(C(=O)c3cccc(C(=O)O)c3)cc2CCC(=O)O)cc1 | 10.1021/jm00064a006 | |||
| CHEMBL49302 | 187320 | 35 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 502 | 14 | 2 | 5 | 5.9 | COc1ccc(/C=C/CCCCOc2ccc(C(=O)c3cccc(C(=O)O)c3)cc2CCC(=O)O)cc1 | 10.1021/jm00064a006 | |||
| 2487 | 2368 | 36 | None | 31 | 2 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 336 | 14 | 3 | 3 | 4.2 | CCCCC/C=C\C[C@H](/C=C/C=C/C=C\[C@H](CCCC(=O)O)O)O | 10.1021/jm00172a020 | |||
| 5280492 | 2368 | 36 | None | 31 | 2 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 336 | 14 | 3 | 3 | 4.2 | CCCCC/C=C\C[C@H](/C=C/C=C/C=C\[C@H](CCCC(=O)O)O)O | 10.1021/jm00172a020 | |||
| CHEMBL65061 | 2368 | 36 | None | 31 | 2 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 336 | 14 | 3 | 3 | 4.2 | CCCCC/C=C\C[C@H](/C=C/C=C/C=C\[C@H](CCCC(=O)O)O)O | 10.1021/jm00172a020 | |||
| DB12961 | 2368 | 36 | None | 31 | 2 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 336 | 14 | 3 | 3 | 4.2 | CCCCC/C=C\C[C@H](/C=C/C=C/C=C\[C@H](CCCC(=O)O)O)O | 10.1021/jm00172a020 | |||
| 11799000 | 17168 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 482 | 9 | 1 | 4 | 5.1 | CN(O)C(=O)c1cc(CC(=O)N(C)CCc2ccccc2)c2cccc(OCc3ccccc3)c2c1 | 10.1021/jm950699x | |||
| CHEMBL125611 | 17168 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 482 | 9 | 1 | 4 | 5.1 | CN(O)C(=O)c1cc(CC(=O)N(C)CCc2ccccc2)c2cccc(OCc3ccccc3)c2c1 | 10.1021/jm950699x | |||
| 10385899 | 27407 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 393 | 9 | 1 | 4 | 5.6 | COc1ccc(-c2cc(OCCCCC(C)(C)C(=O)O)nc3ccccc23)cc1 | 10.1021/jm00101a007 | |||
| CHEMBL136805 | 27407 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 393 | 9 | 1 | 4 | 5.6 | COc1ccc(-c2cc(OCCCCC(C)(C)C(=O)O)nc3ccccc23)cc1 | 10.1021/jm00101a007 | |||
| 9999755 | 26572 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 379 | 9 | 1 | 3 | 5.6 | O=C(O)CCCCCOc1cc(-c2ccccc2F)cc(-c2ccccc2)n1 | 10.1021/jm00101a008 | |||
| CHEMBL136094 | 26572 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 379 | 9 | 1 | 3 | 5.6 | O=C(O)CCCCCOc1cc(-c2ccccc2F)cc(-c2ccccc2)n1 | 10.1021/jm00101a008 | |||
| 44357534 | 26740 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 385 | 9 | 0 | 6 | 4.7 | c1ccc(-c2cc(OCCCCCn3cnnn3)nc(-c3ccccc3)c2)cc1 | 10.1021/jm00101a008 | |||
| CHEMBL136243 | 26740 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 385 | 9 | 0 | 6 | 4.7 | c1ccc(-c2cc(OCCCCCn3cnnn3)nc(-c3ccccc3)c2)cc1 | 10.1021/jm00101a008 | |||
| 10071290 | 28100 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 429 | 9 | 1 | 3 | 6.5 | O=C(O)CCCCCOc1cc(-c2ccc(C(F)(F)F)cc2)cc(-c2ccccc2)n1 | 10.1021/jm00101a008 | |||
| CHEMBL137303 | 28100 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 429 | 9 | 1 | 3 | 6.5 | O=C(O)CCCCCOc1cc(-c2ccc(C(F)(F)F)cc2)cc(-c2ccccc2)n1 | 10.1021/jm00101a008 | |||
| 196905 | 111631 | 8 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 539 | 15 | 2 | 6 | 5.4 | CCCc1c(OCCCOc2ccc(C(=O)NC)c(OC)c2CC2CC2)ccc2c1OC(CCC(=O)O)CC2 | 10.1016/S0960-894X(01)80853-2 | |||
| CHEMBL328492 | 111631 | 8 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 539 | 15 | 2 | 6 | 5.4 | CCCc1c(OCCCOc2ccc(C(=O)NC)c(OC)c2CC2CC2)ccc2c1OC(CCC(=O)O)CC2 | 10.1016/S0960-894X(01)80853-2 | |||
| 11756030 | 58760 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 509 | 13 | 1 | 7 | 5.9 | CCCc1c(OCCCOc2ccc(-c3cocn3)c(OC)c2CCC)ccc2c1OC(C(=O)O)CC2 | 10.1021/jm00006a002 | |||
| CHEMBL168658 | 58760 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 509 | 13 | 1 | 7 | 5.9 | CCCc1c(OCCCOc2ccc(-c3cocn3)c(OC)c2CCC)ccc2c1OC(C(=O)O)CC2 | 10.1021/jm00006a002 | |||
| 14946858 | 29161 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 375 | 9 | 0 | 4 | 5.5 | COC(=O)CCCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1 | 10.1021/jm00101a008 | |||
| CHEMBL138174 | 29161 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 375 | 9 | 0 | 4 | 5.5 | COC(=O)CCCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1 | 10.1021/jm00101a008 | |||
| 10407251 | 119081 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 377 | 8 | 1 | 3 | 5.9 | Cc1ccc(-c2cc(OCCCCC(C)(C)C(=O)O)nc3ccccc23)cc1 | 10.1021/jm00101a007 | |||
| CHEMBL342688 | 119081 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 377 | 8 | 1 | 3 | 5.9 | Cc1ccc(-c2cc(OCCCCC(C)(C)C(=O)O)nc3ccccc23)cc1 | 10.1021/jm00101a007 | |||
| 15666577 | 9201 | 1 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 330 | 11 | 1 | 2 | 5.5 | O=C(O)CCCCCCc1ccsc1CCCc1ccccc1 | 10.1021/jm00095a011 | |||
| CHEMBL110402 | 9201 | 1 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 330 | 11 | 1 | 2 | 5.5 | O=C(O)CCCCCCc1ccsc1CCCc1ccccc1 | 10.1021/jm00095a011 | |||
| 15666579 | 5627 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 364 | 11 | 1 | 2 | 6.2 | O=C(O)CCCCCCc1ccsc1CCCc1ccc(Cl)cc1 | 10.1021/jm00095a011 | |||
| CHEMBL107760 | 5627 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 364 | 11 | 1 | 2 | 6.2 | O=C(O)CCCCCCc1ccsc1CCCc1ccc(Cl)cc1 | 10.1021/jm00095a011 | |||
| 15666578 | 7904 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 364 | 11 | 1 | 2 | 6.2 | O=C(O)CCCCCCc1csc(CCCc2ccc(Cl)cc2)c1 | 10.1021/jm00095a011 | |||
| CHEMBL109015 | 7904 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 364 | 11 | 1 | 2 | 6.2 | O=C(O)CCCCCCc1csc(CCCc2ccc(Cl)cc2)c1 | 10.1021/jm00095a011 | |||
| 15666603 | 8138 | 1 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 330 | 11 | 1 | 2 | 5.5 | O=C(O)CCCCCCc1sccc1CCCc1ccccc1 | 10.1021/jm00095a011 | |||
| CHEMBL109176 | 8138 | 1 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 330 | 11 | 1 | 2 | 5.5 | O=C(O)CCCCCCc1sccc1CCCc1ccccc1 | 10.1021/jm00095a011 | |||
| 15666621 | 9242 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 406 | 12 | 1 | 2 | 7.2 | O=C(O)CCCCCCc1sc(-c2ccccc2)cc1CCCc1ccccc1 | 10.1021/jm00095a011 | |||
| CHEMBL110707 | 9242 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 406 | 12 | 1 | 2 | 7.2 | O=C(O)CCCCCCc1sc(-c2ccccc2)cc1CCCc1ccccc1 | 10.1021/jm00095a011 | |||
| 44315785 | 14651 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 326 | 11 | 3 | 3 | 4.1 | CCCCCCCCC(O)/C=C/[C@H]1CCC[C@@](O)(CC(=O)O)C1 | 10.1016/0960-894X(96)00424-6 | |||
| CHEMBL1205307 | 14651 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 326 | 11 | 3 | 3 | 4.1 | CCCCCCCCC(O)/C=C/[C@H]1CCC[C@@](O)(CC(=O)O)C1 | 10.1016/0960-894X(96)00424-6 | |||
| CHEMBL80541 | 14651 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 326 | 11 | 3 | 3 | 4.1 | CCCCCCCCC(O)/C=C/[C@H]1CCC[C@@](O)(CC(=O)O)C1 | 10.1016/0960-894X(96)00424-6 | |||
| 11741184 | 28162 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 391 | 10 | 1 | 4 | 5.4 | COc1ccc(-c2cc(-c3ccccc3)cc(OCCCCCC(=O)O)n2)cc1 | 10.1021/jm00101a008 | |||
| CHEMBL137342 | 28162 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 391 | 10 | 1 | 4 | 5.4 | COc1ccc(-c2cc(-c3ccccc3)cc(OCCCCCC(=O)O)n2)cc1 | 10.1021/jm00101a008 | |||
| 15666575 | 5188 | 1 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 316 | 10 | 1 | 2 | 5.1 | O=C(O)CCCCCCc1csc(CCc2ccccc2)c1 | 10.1021/jm00095a011 | |||
| CHEMBL106055 | 5188 | 1 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 316 | 10 | 1 | 2 | 5.1 | O=C(O)CCCCCCc1csc(CCc2ccccc2)c1 | 10.1021/jm00095a011 | |||
| 15666597 | 109638 | 1 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 302 | 9 | 1 | 2 | 4.9 | O=C(O)CCCCCCc1csc(Cc2ccccc2)c1 | 10.1021/jm00095a011 | |||
| CHEMBL322290 | 109638 | 1 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 302 | 9 | 1 | 2 | 4.9 | O=C(O)CCCCCCc1csc(Cc2ccccc2)c1 | 10.1021/jm00095a011 | |||
| 135531245 | 205264 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 398 | 10 | 2 | 7 | 3.8 | CCc1cc(-c2ccnn2C)c(O)cc1OCCCCCC(C)(C)c1nnn[nH]1 | 10.1021/jm00041a021 | |||
| CHEMBL78966 | 205264 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 398 | 10 | 2 | 7 | 3.8 | CCc1cc(-c2ccnn2C)c(O)cc1OCCCCCC(C)(C)c1nnn[nH]1 | 10.1021/jm00041a021 | |||
| 10046878 | 28433 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 405 | 10 | 1 | 4 | 5.7 | COc1ccc(-c2cc(OCCCCC(C)C(=O)O)nc(-c3ccccc3)c2)cc1 | 10.1021/jm00101a008 | |||
| CHEMBL137531 | 28433 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 405 | 10 | 1 | 4 | 5.7 | COc1ccc(-c2cc(OCCCCC(C)C(=O)O)nc(-c3ccccc3)c2)cc1 | 10.1021/jm00101a008 | |||
| 135503765 | 205213 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 396 | 10 | 3 | 5 | 3.8 | CCc1cc(-c2cc[nH]n2)c(O)cc1OCCCOc1cccc(CC(=O)O)c1 | 10.1021/jm00041a021 | |||
| CHEMBL78605 | 205213 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 396 | 10 | 3 | 5 | 3.8 | CCc1cc(-c2cc[nH]n2)c(O)cc1OCCCOc1cccc(CC(=O)O)c1 | 10.1021/jm00041a021 | |||
| 15666618 | 9254 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 344 | 11 | 1 | 2 | 5.7 | CC(CCCCCc1sccc1CCCc1ccccc1)C(=O)O | 10.1021/jm00095a011 | |||
| CHEMBL110767 | 9254 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 344 | 11 | 1 | 2 | 5.7 | CC(CCCCCc1sccc1CCCc1ccccc1)C(=O)O | 10.1021/jm00095a011 | |||
| 10024190 | 25973 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 404 | 10 | 1 | 4 | 5.5 | CN(C)c1ccc(-c2cc(OCCCCCC(=O)O)nc(-c3ccccc3)c2)cc1 | 10.1021/jm00101a008 | |||
| CHEMBL135431 | 25973 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 404 | 10 | 1 | 4 | 5.5 | CN(C)c1ccc(-c2cc(OCCCCCC(=O)O)nc(-c3ccccc3)c2)cc1 | 10.1021/jm00101a008 | |||
| 10052488 | 59051 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 523 | 13 | 1 | 7 | 6.2 | CCCc1c(OCCCOc2ccc(-c3coc(C)n3)c(OC)c2CCC)ccc2c1OC(C(=O)O)CC2 | 10.1021/jm00006a002 | |||
| CHEMBL169446 | 59051 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 523 | 13 | 1 | 7 | 6.2 | CCCc1c(OCCCOc2ccc(-c3coc(C)n3)c(OC)c2CCC)ccc2c1OC(C(=O)O)CC2 | 10.1021/jm00006a002 | |||
| 10069417 | 164908 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 397 | 8 | 1 | 3 | 6.2 | CC(C)(CCCCOc1cc(-c2cccc(Cl)c2)c2ccccc2n1)C(=O)O | 10.1021/jm00101a007 | |||
| CHEMBL422282 | 164908 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 397 | 8 | 1 | 3 | 6.2 | CC(C)(CCCCOc1cc(-c2cccc(Cl)c2)c2ccccc2n1)C(=O)O | 10.1021/jm00101a007 | |||
| 18373405 | 31697 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 525 | 7 | 1 | 3 | 7.3 | COc1cc(C(=O)O)ccc1Cc1cn(C(c2ccccc2)c2ccccc2)c2ccc(Br)cc12 | 10.1016/j.bmcl.2003.08.070 | |||
| CHEMBL140539 | 31697 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 525 | 7 | 1 | 3 | 7.3 | COc1cc(C(=O)O)ccc1Cc1cn(C(c2ccccc2)c2ccccc2)c2ccc(Br)cc12 | 10.1016/j.bmcl.2003.08.070 | |||
| 9985159 | 59126 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 555 | 14 | 1 | 8 | 6.4 | CCCc1c(OCCCOc2ccc(-c3csc(OC)n3)c(OC)c2CCC)ccc2c1OC(C(=O)O)CC2 | 10.1021/jm00006a002 | |||
| CHEMBL169835 | 59126 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 555 | 14 | 1 | 8 | 6.4 | CCCc1c(OCCCOc2ccc(-c3csc(OC)n3)c(OC)c2CCC)ccc2c1OC(C(=O)O)CC2 | 10.1021/jm00006a002 | |||
| 44385218 | 59671 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 343 | 5 | 2 | 2 | 4.7 | O=C(/C=C/c1ccc(-c2ccccc2)cc1)Nc1cccc(C(=O)O)c1 | 10.1016/S0960-894X(97)00134-0 | |||
| CHEMBL172201 | 59671 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 343 | 5 | 2 | 2 | 4.7 | O=C(/C=C/c1ccc(-c2ccccc2)cc1)Nc1cccc(C(=O)O)c1 | 10.1016/S0960-894X(97)00134-0 | |||
| 44385131 | 129499 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 373 | 6 | 2 | 3 | 4.7 | COc1cccc(C(=O)O)c1NC(=O)/C=C/c1ccc(-c2ccccc2)cc1 | 10.1016/S0960-894X(97)00134-0 | |||
| CHEMBL367291 | 129499 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 373 | 6 | 2 | 3 | 4.7 | COc1cccc(C(=O)O)c1NC(=O)/C=C/c1ccc(-c2ccccc2)cc1 | 10.1016/S0960-894X(97)00134-0 | |||
| 6444688 | 187320 | 35 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 502 | 14 | 2 | 5 | 5.9 | COc1ccc(/C=C/CCCCOc2ccc(C(=O)c3cccc(C(=O)O)c3)cc2CCC(=O)O)cc1 | 10.1021/jm00046a017 | |||
| CHEMBL49302 | 187320 | 35 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 502 | 14 | 2 | 5 | 5.9 | COc1ccc(/C=C/CCCCOc2ccc(C(=O)c3cccc(C(=O)O)c3)cc2CCC(=O)O)cc1 | 10.1021/jm00046a017 | |||
| 18963028 | 14622 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 376 | 11 | 2 | 6 | 4.2 | CCc1cc(OC(C)C)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/S0960-894X(00)80453-9 | |||
| CHEMBL1205053 | 14622 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 376 | 11 | 2 | 6 | 4.2 | CCc1cc(OC(C)C)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/S0960-894X(00)80453-9 | |||
| CHEMBL47716 | 14622 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 376 | 11 | 2 | 6 | 4.2 | CCc1cc(OC(C)C)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/S0960-894X(00)80453-9 | |||
| 10343923 | 27783 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 453 | 9 | 1 | 5 | 6.1 | CC(CCCCOc1cc(-c2ccc3c(c2)OCO3)cc(-c2ccccc2Cl)n1)C(=O)O | 10.1021/jm00101a008 | |||
| CHEMBL137074 | 27783 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 453 | 9 | 1 | 5 | 6.1 | CC(CCCCOc1cc(-c2ccc3c(c2)OCO3)cc(-c2ccccc2Cl)n1)C(=O)O | 10.1021/jm00101a008 | |||
| 135401173 | 104779 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 396 | 10 | 3 | 5 | 3.8 | CCc1cc(-c2cc[nH]n2)c(O)cc1OCCCOc1ccccc1CC(=O)O | 10.1021/jm00041a021 | |||
| CHEMBL310870 | 104779 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 396 | 10 | 3 | 5 | 3.8 | CCc1cc(-c2cc[nH]n2)c(O)cc1OCCCOc1ccccc1CC(=O)O | 10.1021/jm00041a021 | |||
| 6444688 | 187320 | 35 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 502 | 14 | 2 | 5 | 5.9 | COc1ccc(/C=C/CCCCOc2ccc(C(=O)c3cccc(C(=O)O)c3)cc2CCC(=O)O)cc1 | 10.1021/jm00070a015 | |||
| CHEMBL49302 | 187320 | 35 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 502 | 14 | 2 | 5 | 5.9 | COc1ccc(/C=C/CCCCOc2ccc(C(=O)c3cccc(C(=O)O)c3)cc2CCC(=O)O)cc1 | 10.1021/jm00070a015 | |||
| 10053662 | 59660 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 565 | 15 | 1 | 7 | 7.1 | CCCc1c(OCCCOc2ccc(-c3cscn3)c(OC)c2CC2CC2)ccc2c1OC(CCC(=O)O)CC2 | 10.1021/jm00006a002 | |||
| CHEMBL172168 | 59660 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 565 | 15 | 1 | 7 | 7.1 | CCCc1c(OCCCOc2ccc(-c3cscn3)c(OC)c2CC2CC2)ccc2c1OC(CCC(=O)O)CC2 | 10.1021/jm00006a002 | |||
| 44337707 | 109742 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 434 | 12 | 1 | 2 | 7.8 | CC(C)(CCCCCc1cc(-c2ccccc2)sc1CCCc1ccccc1)C(=O)O | 10.1021/jm00095a011 | |||
| CHEMBL322985 | 109742 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 434 | 12 | 1 | 2 | 7.8 | CC(C)(CCCCCc1cc(-c2ccccc2)sc1CCCc1ccccc1)C(=O)O | 10.1021/jm00095a011 | |||
| 9980059 | 28359 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 429 | 9 | 1 | 3 | 6.5 | O=C(O)CCCCCOc1cc(-c2ccccc2)cc(-c2ccc(C(F)(F)F)cc2)n1 | 10.1021/jm00101a008 | |||
| CHEMBL137480 | 28359 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 429 | 9 | 1 | 3 | 6.5 | O=C(O)CCCCCOc1cc(-c2ccccc2)cc(-c2ccc(C(F)(F)F)cc2)n1 | 10.1021/jm00101a008 | |||
| 44385159 | 61351 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 387 | 6 | 2 | 3 | 5.0 | COc1ccc(C(=O)O)cc1NC(=O)/C=C/c1ccc(-c2ccccc2)c(C)c1 | 10.1016/S0960-894X(97)00134-0 | |||
| CHEMBL176747 | 61351 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 387 | 6 | 2 | 3 | 5.0 | COc1ccc(C(=O)O)cc1NC(=O)/C=C/c1ccc(-c2ccccc2)c(C)c1 | 10.1016/S0960-894X(97)00134-0 | |||
| 6444688 | 187320 | 35 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 502 | 14 | 2 | 5 | 5.9 | COc1ccc(/C=C/CCCCOc2ccc(C(=O)c3cccc(C(=O)O)c3)cc2CCC(=O)O)cc1 | 10.1016/S0960-894X(01)80999-9 | |||
| CHEMBL49302 | 187320 | 35 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 502 | 14 | 2 | 5 | 5.9 | COc1ccc(/C=C/CCCCOc2ccc(C(=O)c3cccc(C(=O)O)c3)cc2CCC(=O)O)cc1 | 10.1016/S0960-894X(01)80999-9 | |||
| 10091738 | 27803 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 389 | 9 | 1 | 3 | 6.0 | Cc1ccc(-c2cc(OCCCCC(C)C(=O)O)nc(-c3ccccc3)c2)cc1 | 10.1021/jm00101a008 | |||
| CHEMBL137089 | 27803 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 389 | 9 | 1 | 3 | 6.0 | Cc1ccc(-c2cc(OCCCCC(C)C(=O)O)nc(-c3ccccc3)c2)cc1 | 10.1021/jm00101a008 | |||
| 6444688 | 187320 | 35 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 502 | 14 | 2 | 5 | 5.9 | COc1ccc(/C=C/CCCCOc2ccc(C(=O)c3cccc(C(=O)O)c3)cc2CCC(=O)O)cc1 | 10.1021/jm00064a006 | |||
| CHEMBL49302 | 187320 | 35 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 502 | 14 | 2 | 5 | 5.9 | COc1ccc(/C=C/CCCCOc2ccc(C(=O)c3cccc(C(=O)O)c3)cc2CCC(=O)O)cc1 | 10.1021/jm00064a006 | |||
| 6444688 | 187320 | 35 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 502 | 14 | 2 | 5 | 5.9 | COc1ccc(/C=C/CCCCOc2ccc(C(=O)c3cccc(C(=O)O)c3)cc2CCC(=O)O)cc1 | 10.1021/jm00172a020 | |||
| CHEMBL49302 | 187320 | 35 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 502 | 14 | 2 | 5 | 5.9 | COc1ccc(/C=C/CCCCOc2ccc(C(=O)c3cccc(C(=O)O)c3)cc2CCC(=O)O)cc1 | 10.1021/jm00172a020 | |||
| 6435820 | 165016 | 6 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 563 | 18 | 2 | 6 | 7.3 | COc1ccc(CCCCCCCCOc2ccc(CSCc3cccc(C(=O)O)c3)nc2/C=C/C(=O)O)cc1 | 10.1021/jm00070a015 | |||
| CHEMBL422598 | 165016 | 6 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 563 | 18 | 2 | 6 | 7.3 | COc1ccc(CCCCCCCCOc2ccc(CSCc3cccc(C(=O)O)c3)nc2/C=C/C(=O)O)cc1 | 10.1021/jm00070a015 | |||
| 204058 | 163459 | 8 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 539 | 15 | 2 | 6 | 5.4 | CCCc1c(OCCCOc2ccc(C(=O)NC)c(OC)c2CC2CC2)ccc2c1O[C@H](CCC(=O)O)CC2 | 10.1016/S0960-894X(01)80853-2 | |||
| CHEMBL419948 | 163459 | 8 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 539 | 15 | 2 | 6 | 5.4 | CCCc1c(OCCCOc2ccc(C(=O)NC)c(OC)c2CC2CC2)ccc2c1O[C@H](CCC(=O)O)CC2 | 10.1016/S0960-894X(01)80853-2 | |||
| 9805394 | 57583 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 485 | 13 | 2 | 6 | 4.3 | CCCc1c(OCCCOc2ccc(C(N)=O)c(OC)c2CCC)ccc2c1OC(C(=O)O)CC2 | 10.1021/jm00006a002 | |||
| CHEMBL166699 | 57583 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 485 | 13 | 2 | 6 | 4.3 | CCCc1c(OCCCOc2ccc(C(N)=O)c(OC)c2CCC)ccc2c1OC(C(=O)O)CC2 | 10.1021/jm00006a002 | |||
| 10385899 | 27407 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 393 | 9 | 1 | 4 | 5.6 | COc1ccc(-c2cc(OCCCCC(C)(C)C(=O)O)nc3ccccc23)cc1 | 10.1021/jm00101a007 | |||
| CHEMBL136805 | 27407 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 393 | 9 | 1 | 4 | 5.6 | COc1ccc(-c2cc(OCCCCC(C)(C)C(=O)O)nc3ccccc23)cc1 | 10.1021/jm00101a007 | |||
| 10474602 | 25979 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 375 | 10 | 1 | 3 | 5.8 | O=C(O)CCCCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1 | 10.1021/jm00101a008 | |||
| CHEMBL135434 | 25979 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 375 | 10 | 1 | 3 | 5.8 | O=C(O)CCCCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1 | 10.1021/jm00101a008 | |||
| 10069416 | 28385 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 397 | 8 | 1 | 3 | 6.2 | CC(C)(CCCCOc1cc(-c2ccc(Cl)cc2)c2ccccc2n1)C(=O)O | 10.1021/jm00101a007 | |||
| CHEMBL137497 | 28385 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 397 | 8 | 1 | 3 | 6.2 | CC(C)(CCCCOc1cc(-c2ccc(Cl)cc2)c2ccccc2n1)C(=O)O | 10.1021/jm00101a007 | |||
| 10341135 | 29388 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 403 | 10 | 1 | 3 | 6.5 | CC(C)(CCCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1)C(=O)O | 10.1021/jm00101a008 | |||
| CHEMBL138380 | 29388 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 403 | 10 | 1 | 3 | 6.5 | CC(C)(CCCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1)C(=O)O | 10.1021/jm00101a008 | |||
| 44381856 | 168556 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 509 | 13 | 1 | 7 | 6.1 | CCCc1c(OCCCOc2ccc(-c3cscn3)c(OC)c2CC2CC2)ccc2c1OC2C(=O)O | 10.1021/jm00006a002 | |||
| CHEMBL435665 | 168556 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 509 | 13 | 1 | 7 | 6.1 | CCCc1c(OCCCOc2ccc(-c3cscn3)c(OC)c2CC2CC2)ccc2c1OC2C(=O)O | 10.1021/jm00006a002 | |||
| 9930128 | 60418 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 387 | 6 | 2 | 3 | 5.1 | COc1ccc(C(=O)O)cc1NC(=O)/C=C(\C)c1ccc(-c2ccccc2)cc1 | 10.1016/S0960-894X(97)00134-0 | |||
| CHEMBL175073 | 60418 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 387 | 6 | 2 | 3 | 5.1 | COc1ccc(C(=O)O)cc1NC(=O)/C=C(\C)c1ccc(-c2ccccc2)cc1 | 10.1016/S0960-894X(97)00134-0 | |||
| 11726048 | 27598 | 1 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 360 | 9 | 1 | 3 | 4.8 | NC(=O)CCCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1 | 10.1021/jm00101a008 | |||
| CHEMBL136953 | 27598 | 1 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 360 | 9 | 1 | 3 | 4.8 | NC(=O)CCCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1 | 10.1021/jm00101a008 | |||
| 10071290 | 28100 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 429 | 9 | 1 | 3 | 6.5 | O=C(O)CCCCCOc1cc(-c2ccc(C(F)(F)F)cc2)cc(-c2ccccc2)n1 | 10.1021/jm00101a008 | |||
| CHEMBL137303 | 28100 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 429 | 9 | 1 | 3 | 6.5 | O=C(O)CCCCCOc1cc(-c2ccc(C(F)(F)F)cc2)cc(-c2ccccc2)n1 | 10.1021/jm00101a008 | |||
| 10318241 | 28348 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 390 | 10 | 2 | 4 | 5.5 | CNc1ccc(-c2cc(OCCCCCC(=O)O)nc(-c3ccccc3)c2)cc1 | 10.1021/jm00101a008 | |||
| CHEMBL137472 | 28348 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 390 | 10 | 2 | 4 | 5.5 | CNc1ccc(-c2cc(OCCCCCC(=O)O)nc(-c3ccccc3)c2)cc1 | 10.1021/jm00101a008 | |||
| 10250881 | 25070 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 408 | 9 | 1 | 5 | 5.5 | CC(C)(CCCCOc1cc(-c2ccc([N+](=O)[O-])cc2)c2ccccc2n1)C(=O)O | 10.1021/jm00101a007 | |||
| CHEMBL134698 | 25070 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 408 | 9 | 1 | 5 | 5.5 | CC(C)(CCCCOc1cc(-c2ccc([N+](=O)[O-])cc2)c2ccccc2n1)C(=O)O | 10.1021/jm00101a007 | |||
| 10390056 | 116549 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 472 | 10 | 2 | 4 | 5.9 | O=C(O)CCCCCOc1cc(-c2ccc(NC(=O)C(F)(F)F)cc2)cc(-c2ccccc2)n1 | 10.1021/jm00101a008 | |||
| CHEMBL336303 | 116549 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 472 | 10 | 2 | 4 | 5.9 | O=C(O)CCCCCOc1cc(-c2ccc(NC(=O)C(F)(F)F)cc2)cc(-c2ccccc2)n1 | 10.1021/jm00101a008 | |||
| 10451768 | 27896 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 369 | 8 | 1 | 3 | 5.6 | O=C(O)CCCCCOc1cc(-c2ccc(Cl)cc2)c2ccccc2n1 | 10.1021/jm00101a007 | |||
| CHEMBL137168 | 27896 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 369 | 8 | 1 | 3 | 5.6 | O=C(O)CCCCCOc1cc(-c2ccc(Cl)cc2)c2ccccc2n1 | 10.1021/jm00101a007 | |||
| 15666613 | 9243 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 344 | 11 | 1 | 2 | 5.8 | Cc1cc(CCCc2ccccc2)c(CCCCCCC(=O)O)s1 | 10.1021/jm00095a011 | |||
| CHEMBL110708 | 9243 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 344 | 11 | 1 | 2 | 5.8 | Cc1cc(CCCc2ccccc2)c(CCCCCCC(=O)O)s1 | 10.1021/jm00095a011 | |||
| 44385199 | 59643 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 375 | 7 | 2 | 3 | 4.6 | COc1ccc(C(=O)O)cc1NC(=O)CCc1ccc(-c2ccccc2)cc1 | 10.1016/S0960-894X(97)00134-0 | |||
| CHEMBL172091 | 59643 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 375 | 7 | 2 | 3 | 4.6 | COc1ccc(C(=O)O)cc1NC(=O)CCc1ccc(-c2ccccc2)cc1 | 10.1016/S0960-894X(97)00134-0 | |||
| 20704716 | 184725 | 0 | None | - | 1 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 488 | 5 | 1 | 9 | 2.4 | CN1C(=N)N(C)/C(=N/c2nc(Cc3ccc4c(c3)OCO4)c(Cc3ccc4c(c3)OCO4)n2C)C1=O | 10.1021/np50100a005 | |||
| CHEMBL485054 | 184725 | 0 | None | - | 1 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 488 | 5 | 1 | 9 | 2.4 | CN1C(=N)N(C)/C(=N/c2nc(Cc3ccc4c(c3)OCO4)c(Cc3ccc4c(c3)OCO4)n2C)C1=O | 10.1021/np50100a005 | |||
| 11549986 | 156207 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 1542 | 48 | 11 | 26 | 1.8 | CC(C)(CCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1)c1nnnn1CCCCC(=O)NCCCOCCOCCOCCCNC(=O)[C@H](CS(=O)(=O)O)NC(=O)[C@H](CS(=O)(=O)O)NC(=O)[C@H](CS(=O)(=O)O)NC(=O)[C@H](CS(=O)(=O)O)NC(=O)c1ccc(N/N=C/c2ccccc2)nc1 | 10.1021/jm050383h | |||
| CHEMBL406432 | 156207 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 1542 | 48 | 11 | 26 | 1.8 | CC(C)(CCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1)c1nnnn1CCCCC(=O)NCCCOCCOCCOCCCNC(=O)[C@H](CS(=O)(=O)O)NC(=O)[C@H](CS(=O)(=O)O)NC(=O)[C@H](CS(=O)(=O)O)NC(=O)[C@H](CS(=O)(=O)O)NC(=O)c1ccc(N/N=C/c2ccccc2)nc1 | 10.1021/jm050383h | |||
| 44386172 | 165790 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 397 | 6 | 2 | 5 | 4.2 | COc1ccc(-c2nn[nH]n2)cc1NC(=O)/C=C/c1ccc(-c2ccccc2)cc1 | 10.1016/S0960-894X(97)00134-0 | |||
| CHEMBL424779 | 165790 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 397 | 6 | 2 | 5 | 4.2 | COc1ccc(-c2nn[nH]n2)cc1NC(=O)/C=C/c1ccc(-c2ccccc2)cc1 | 10.1016/S0960-894X(97)00134-0 | |||
| 11726048 | 27598 | 1 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 360 | 9 | 1 | 3 | 4.8 | NC(=O)CCCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1 | 10.1021/jm00101a008 | |||
| CHEMBL136953 | 27598 | 1 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 360 | 9 | 1 | 3 | 4.8 | NC(=O)CCCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1 | 10.1021/jm00101a008 | |||
| 44359651 | 119183 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 481 | 7 | 1 | 3 | 7.2 | COc1cc(C(=O)O)ccc1Cc1cn(C(c2ccccc2)c2ccccc2)c2ccc(Cl)cc12 | 10.1016/j.bmcl.2003.08.070 | |||
| CHEMBL343124 | 119183 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 481 | 7 | 1 | 3 | 7.2 | COc1cc(C(=O)O)ccc1Cc1cn(C(c2ccccc2)c2ccccc2)c2ccc(Cl)cc12 | 10.1016/j.bmcl.2003.08.070 | |||
| 6441619 | 206782 | 18 | None | - | 1 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 459 | 9 | 1 | 4 | 6.4 | O=C(O)/C=C/c1nc(CSc2c(Cl)cccc2Cl)ccc1OCCc1ccccc1 | 10.1021/jm960248s | |||
| CHEMBL90214 | 206782 | 18 | None | - | 1 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 459 | 9 | 1 | 4 | 6.4 | O=C(O)/C=C/c1nc(CSc2c(Cl)cccc2Cl)ccc1OCCc1ccccc1 | 10.1021/jm960248s | |||
| 15718079 | 101437 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 468 | 14 | 2 | 5 | 6.2 | CCCCCCCCCCOc1cc2oc3c(C(=O)O)cccc3c(=O)c2cc1CCC(=O)O | 10.1021/jm00064a006 | |||
| CHEMBL297501 | 101437 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 468 | 14 | 2 | 5 | 6.2 | CCCCCCCCCCOc1cc2oc3c(C(=O)O)cccc3c(=O)c2cc1CCC(=O)O | 10.1021/jm00064a006 | |||
| 10430674 | 119338 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 393 | 9 | 1 | 3 | 5.8 | CC(CCCCOc1cc(-c2ccccc2)cc(-c2ccccc2F)n1)C(=O)O | 10.1021/jm00101a008 | |||
| CHEMBL344230 | 119338 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 393 | 9 | 1 | 3 | 5.8 | CC(CCCCOc1cc(-c2ccccc2)cc(-c2ccccc2F)n1)C(=O)O | 10.1021/jm00101a008 | |||
| 10315808 | 26949 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 349 | 9 | 1 | 3 | 5.3 | O=C(O)CCCCCCOc1cc(-c2ccccc2)c2ccccc2n1 | 10.1021/jm00101a007 | |||
| CHEMBL136433 | 26949 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 349 | 9 | 1 | 3 | 5.3 | O=C(O)CCCCCCOc1cc(-c2ccccc2)c2ccccc2n1 | 10.1021/jm00101a007 | |||
| 10248148 | 115995 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 363 | 8 | 1 | 3 | 5.6 | CC(C)(CCCCOc1cc(-c2ccccc2)c2ccccc2n1)C(=O)O | 10.1021/jm00101a007 | |||
| CHEMBL335525 | 115995 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 363 | 8 | 1 | 3 | 5.6 | CC(C)(CCCCOc1cc(-c2ccccc2)c2ccccc2n1)C(=O)O | 10.1021/jm00101a007 | |||
| 15839736 | 14640 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 476 | 9 | 2 | 7 | 5.0 | CCc1cc(C(C)=O)c(O)cc1OCCCOc1ccc2c(=O)c3cc(C(=O)O)ccc3oc2c1 | 10.1016/S0960-894X(01)80999-9 | |||
| CHEMBL1205143 | 14640 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 476 | 9 | 2 | 7 | 5.0 | CCc1cc(C(C)=O)c(O)cc1OCCCOc1ccc2c(=O)c3cc(C(=O)O)ccc3oc2c1 | 10.1016/S0960-894X(01)80999-9 | |||
| CHEMBL58534 | 14640 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 476 | 9 | 2 | 7 | 5.0 | CCc1cc(C(C)=O)c(O)cc1OCCCOc1ccc2c(=O)c3cc(C(=O)O)ccc3oc2c1 | 10.1016/S0960-894X(01)80999-9 | |||
| 44385258 | 60368 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 387 | 7 | 2 | 3 | 5.1 | CCOc1ccc(C(=O)O)cc1NC(=O)/C=C/c1ccc(-c2ccccc2)cc1 | 10.1016/S0960-894X(97)00134-0 | |||
| CHEMBL174638 | 60368 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 387 | 7 | 2 | 3 | 5.1 | CCOc1ccc(C(=O)O)cc1NC(=O)/C=C/c1ccc(-c2ccccc2)cc1 | 10.1016/S0960-894X(97)00134-0 | |||
| 6444688 | 187320 | 35 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 502 | 14 | 2 | 5 | 5.9 | COc1ccc(/C=C/CCCCOc2ccc(C(=O)c3cccc(C(=O)O)c3)cc2CCC(=O)O)cc1 | 10.1021/jm00101a007 | |||
| CHEMBL49302 | 187320 | 35 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 502 | 14 | 2 | 5 | 5.9 | COc1ccc(/C=C/CCCCOc2ccc(C(=O)c3cccc(C(=O)O)c3)cc2CCC(=O)O)cc1 | 10.1021/jm00101a007 | |||
| 10022413 | 27658 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 376 | 9 | 2 | 4 | 5.0 | Nc1ccc(-c2cc(OCCCCCC(=O)O)nc(-c3ccccc3)c2)cc1 | 10.1021/jm00101a008 | |||
| CHEMBL136991 | 27658 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 376 | 9 | 2 | 4 | 5.0 | Nc1ccc(-c2cc(OCCCCCC(=O)O)nc(-c3ccccc3)c2)cc1 | 10.1021/jm00101a008 | |||
| 10343923 | 27783 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 453 | 9 | 1 | 5 | 6.1 | CC(CCCCOc1cc(-c2ccc3c(c2)OCO3)cc(-c2ccccc2Cl)n1)C(=O)O | 10.1021/jm00101a008 | |||
| CHEMBL137074 | 27783 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 453 | 9 | 1 | 5 | 6.1 | CC(CCCCOc1cc(-c2ccc3c(c2)OCO3)cc(-c2ccccc2Cl)n1)C(=O)O | 10.1021/jm00101a008 | |||
| 10341242 | 28153 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 405 | 10 | 1 | 4 | 5.7 | COc1cccc(-c2cc(OCCCCC(C)C(=O)O)nc(-c3ccccc3)c2)c1 | 10.1021/jm00101a008 | |||
| CHEMBL137336 | 28153 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 405 | 10 | 1 | 4 | 5.7 | COc1cccc(-c2cc(OCCCCC(C)C(=O)O)nc(-c3ccccc3)c2)c1 | 10.1021/jm00101a008 | |||
| 6444688 | 187320 | 35 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 502 | 14 | 2 | 5 | 5.9 | COc1ccc(/C=C/CCCCOc2ccc(C(=O)c3cccc(C(=O)O)c3)cc2CCC(=O)O)cc1 | 10.1021/jm00101a008 | |||
| CHEMBL49302 | 187320 | 35 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 502 | 14 | 2 | 5 | 5.9 | COc1ccc(/C=C/CCCCOc2ccc(C(=O)c3cccc(C(=O)O)c3)cc2CCC(=O)O)cc1 | 10.1021/jm00101a008 | |||
| 9805394 | 57583 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 485 | 13 | 2 | 6 | 4.3 | CCCc1c(OCCCOc2ccc(C(N)=O)c(OC)c2CCC)ccc2c1OC(C(=O)O)CC2 | 10.1016/S0960-894X(01)80853-2 | |||
| CHEMBL166699 | 57583 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 485 | 13 | 2 | 6 | 4.3 | CCCc1c(OCCCOc2ccc(C(N)=O)c(OC)c2CCC)ccc2c1OC(C(=O)O)CC2 | 10.1016/S0960-894X(01)80853-2 | |||
| 18963032 | 101092 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 444 | 11 | 2 | 6 | 4.5 | CCCc1c(OCCCOc2cc(O)c(OC)cc2CC)ccc2c1OC(C(=O)O)CC2 | 10.1016/S0960-894X(00)80454-0 | |||
| CHEMBL294987 | 101092 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 444 | 11 | 2 | 6 | 4.5 | CCCc1c(OCCCOc2cc(O)c(OC)cc2CC)ccc2c1OC(C(=O)O)CC2 | 10.1016/S0960-894X(00)80454-0 | |||
| 114999 | 3538 | 21 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 484 | 13 | 1 | 6 | 5.4 | CCCc1c(OCCCOc2ccc(c(c2CCC)OC)C(=O)C)ccc2c1OC(CC2)C(=O)O | 10.1021/jm960088k | |||
| 6156 | 3538 | 21 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 484 | 13 | 1 | 6 | 5.4 | CCCc1c(OCCCOc2ccc(c(c2CCC)OC)C(=O)C)ccc2c1OC(CC2)C(=O)O | 10.1021/jm960088k | |||
| CHEMBL14823 | 3538 | 21 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 484 | 13 | 1 | 6 | 5.4 | CCCc1c(OCCCOc2ccc(c(c2CCC)OC)C(=O)C)ccc2c1OC(CC2)C(=O)O | 10.1021/jm960088k | |||
| 10477988 | 28143 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 433 | 9 | 1 | 5 | 5.8 | CC(C)(CCCCOc1cc(-c2ccc3c(c2)OCO3)cc(-c2ccccc2)n1)C(=O)O | 10.1021/jm00101a008 | |||
| CHEMBL137330 | 28143 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 433 | 9 | 1 | 5 | 5.8 | CC(C)(CCCCOc1cc(-c2ccc3c(c2)OCO3)cc(-c2ccccc2)n1)C(=O)O | 10.1021/jm00101a008 | |||
| 44357546 | 116753 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 399 | 9 | 0 | 6 | 5.2 | CC(CCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1)n1cnnn1 | 10.1021/jm00101a008 | |||
| CHEMBL337563 | 116753 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 399 | 9 | 0 | 6 | 5.2 | CC(CCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1)n1cnnn1 | 10.1021/jm00101a008 | |||
| 178581 | 140254 | 2 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 413 | 9 | 1 | 5 | 5.5 | CC(C)(CCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1)c1nnn[nH]1 | 10.1021/jm050383h | |||
| CHEMBL380555 | 140254 | 2 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 413 | 9 | 1 | 5 | 5.5 | CC(C)(CCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1)c1nnn[nH]1 | 10.1021/jm050383h | |||
| 15666615 | 9177 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 372 | 11 | 1 | 2 | 6.4 | Cc1cc(CCCc2ccccc2)c(CCCCCC(C)(C)C(=O)O)s1 | 10.1021/jm00095a011 | |||
| CHEMBL110243 | 9177 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 372 | 11 | 1 | 2 | 6.4 | Cc1cc(CCCc2ccccc2)c(CCCCCC(C)(C)C(=O)O)s1 | 10.1021/jm00095a011 | |||
| 10386030 | 119271 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 395 | 9 | 1 | 3 | 6.1 | O=C(O)CCCCCOc1cc(-c2ccccc2Cl)cc(-c2ccccc2)n1 | 10.1021/jm00101a008 | |||
| CHEMBL343710 | 119271 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 395 | 9 | 1 | 3 | 6.1 | O=C(O)CCCCCOc1cc(-c2ccccc2Cl)cc(-c2ccccc2)n1 | 10.1021/jm00101a008 | |||
| 44379592 | 57158 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 387 | 10 | 3 | 4 | 4.7 | [N-]=[N+]=Nc1ccc(CCCCC(O)/C=C/C2CCCC(O)(CC(=O)O)C2)cc1 | 10.1016/s0960-894x(00)00103-7 | |||
| CHEMBL164721 | 57158 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 387 | 10 | 3 | 4 | 4.7 | [N-]=[N+]=Nc1ccc(CCCCC(O)/C=C/C2CCCC(O)(CC(=O)O)C2)cc1 | 10.1016/s0960-894x(00)00103-7 | |||
| 44379573 | 58100 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 414 | 10 | 2 | 4 | 4.7 | CN(C)C(=O)CC1(O)CCCC(/C=C/C(O)CCCCc2ccc(N=[N+]=[N-])cc2)C1 | 10.1016/s0960-894x(00)00103-7 | |||
| CHEMBL167465 | 58100 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 414 | 10 | 2 | 4 | 4.7 | CN(C)C(=O)CC1(O)CCCC(/C=C/C(O)CCCCc2ccc(N=[N+]=[N-])cc2)C1 | 10.1016/s0960-894x(00)00103-7 | |||
| 10021622 | 28600 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 363 | 10 | 1 | 3 | 5.7 | O=C(O)CCCCCCCOc1cc(-c2ccccc2)c2ccccc2n1 | 10.1021/jm00101a007 | |||
| CHEMBL137676 | 28600 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 363 | 10 | 1 | 3 | 5.7 | O=C(O)CCCCCCCOc1cc(-c2ccccc2)c2ccccc2n1 | 10.1021/jm00101a007 | |||
| 10430946 | 115492 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 397 | 8 | 1 | 3 | 6.2 | CC(C)(CCCCOc1cc(-c2ccccc2)c2ccc(Cl)cc2n1)C(=O)O | 10.1021/jm00101a007 | |||
| CHEMBL335142 | 115492 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 397 | 8 | 1 | 3 | 6.2 | CC(C)(CCCCOc1cc(-c2ccccc2)c2ccc(Cl)cc2n1)C(=O)O | 10.1021/jm00101a007 | |||
| 15718082 | 187173 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 468 | 14 | 2 | 5 | 6.2 | CCCCCCCCCCOc1ccc2c(=O)c3cccc(C(=O)O)c3oc2c1CCC(=O)O | 10.1021/jm00064a006 | |||
| CHEMBL49209 | 187173 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 468 | 14 | 2 | 5 | 6.2 | CCCCCCCCCCOc1ccc2c(=O)c3cccc(C(=O)O)c3oc2c1CCC(=O)O | 10.1021/jm00064a006 | |||
| 195214 | 183839 | 19 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 454 | 16 | 2 | 4 | 6.2 | CCCCCCCCCCOc1ccc(C(=O)c2cccc(C(=O)O)c2)cc1CCC(=O)O | 10.1021/jm00064a006 | |||
| CHEMBL48068 | 183839 | 19 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 454 | 16 | 2 | 4 | 6.2 | CCCCCCCCCCOc1ccc(C(=O)c2cccc(C(=O)O)c2)cc1CCC(=O)O | 10.1021/jm00064a006 | |||
| 443292 | 5025 | 17 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 299 | 3 | 2 | 5 | 3.6 | CNc1nc2c(Cc3cccnc3)c(C)c(O)c(C)c2s1 | 10.1021/jm00045a011 | |||
| CHEMBL105139 | 5025 | 17 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 299 | 3 | 2 | 5 | 3.6 | CNc1nc2c(Cc3cccnc3)c(C)c(O)c(C)c2s1 | 10.1021/jm00045a011 | |||
| 9934500 | 165601 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 472 | 7 | 1 | 4 | 6.4 | COc1cc(C(=O)O)ccc1Cc1cn(C(c2ccccc2)c2ccccc2)c2ccc(C#N)cc12 | 10.1016/j.bmcl.2003.08.070 | |||
| CHEMBL424290 | 165601 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 472 | 7 | 1 | 4 | 6.4 | COc1cc(C(=O)O)ccc1Cc1cn(C(c2ccccc2)c2ccccc2)c2ccc(C#N)cc12 | 10.1016/j.bmcl.2003.08.070 | |||
| 10319829 | 26118 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 417 | 11 | 1 | 3 | 6.9 | CC(C)(CCCCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1)C(=O)O | 10.1021/jm00101a008 | |||
| CHEMBL135612 | 26118 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 417 | 11 | 1 | 3 | 6.9 | CC(C)(CCCCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1)C(=O)O | 10.1021/jm00101a008 | |||
| 10387303 | 27600 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 418 | 11 | 2 | 4 | 6.3 | CC(C)Nc1ccc(-c2cc(OCCCCCC(=O)O)nc(-c3ccccc3)c2)cc1 | 10.1021/jm00101a008 | |||
| CHEMBL136955 | 27600 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 418 | 11 | 2 | 4 | 6.3 | CC(C)Nc1ccc(-c2cc(OCCCCCC(=O)O)nc(-c3ccccc3)c2)cc1 | 10.1021/jm00101a008 | |||
| 15839732 | 45687 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 444 | 13 | 2 | 6 | 4.8 | CCCc1c(OCCCOc2cc(O)c(C(C)=O)cc2CC)cccc1OC(C)C(=O)O | 10.1016/S0960-894X(00)80304-2 | |||
| CHEMBL15299 | 45687 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 444 | 13 | 2 | 6 | 4.8 | CCCc1c(OCCCOc2cc(O)c(C(C)=O)cc2CC)cccc1OC(C)C(=O)O | 10.1016/S0960-894X(00)80304-2 | |||
| 44404447 | 168758 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 2973 | 97 | 22 | 50 | 0.7 | CC(C)(CCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1)c1nnnn1CCCCC(=O)NCCCOCCOCCOCCCNC(=O)[C@H](CS(=O)(=O)O)NC(=O)[C@H](CS(=O)(=O)O)NC(=O)[C@H](CS(=O)(=O)O)NC(=O)[C@H](CS(=O)(=O)O)NC(=O)CC[C@H](NC(=O)c1ccc(N/N=C/c2ccccc2)nc1)C(=O)N[C@@H](CS(=O)(=O)O)C(=O)N[C@@H](CS(=O)(=O)O)C(=O)N[C@@H](CS(=O)(=O)O)C(=O)N[C@@H](CS(=O)(=O)O)C(=O)NCCCOCCOCCOCCCNC(=O)CCCCn1nnnc1C(C)(C)CCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1 | 10.1021/jm050383h | |||
| CHEMBL437275 | 168758 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 2973 | 97 | 22 | 50 | 0.7 | CC(C)(CCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1)c1nnnn1CCCCC(=O)NCCCOCCOCCOCCCNC(=O)[C@H](CS(=O)(=O)O)NC(=O)[C@H](CS(=O)(=O)O)NC(=O)[C@H](CS(=O)(=O)O)NC(=O)[C@H](CS(=O)(=O)O)NC(=O)CC[C@H](NC(=O)c1ccc(N/N=C/c2ccccc2)nc1)C(=O)N[C@@H](CS(=O)(=O)O)C(=O)N[C@@H](CS(=O)(=O)O)C(=O)N[C@@H](CS(=O)(=O)O)C(=O)N[C@@H](CS(=O)(=O)O)C(=O)NCCCOCCOCCOCCCNC(=O)CCCCn1nnnc1C(C)(C)CCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1 | 10.1021/jm050383h | |||
| 10007005 | 120793 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 523 | 13 | 1 | 7 | 6.1 | C=CCc1c(OCCCOc2ccc3c(c2CCC)OC(C(=O)O)CC3)ccc(-c2cscn2)c1OC | 10.1021/jm00006a002 | |||
| CHEMBL355503 | 120793 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 523 | 13 | 1 | 7 | 6.1 | C=CCc1c(OCCCOc2ccc3c(c2CCC)OC(C(=O)O)CC3)ccc(-c2cscn2)c1OC | 10.1021/jm00006a002 | |||
| 10474602 | 25979 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 375 | 10 | 1 | 3 | 5.8 | O=C(O)CCCCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1 | 10.1021/jm00101a008 | |||
| CHEMBL135434 | 25979 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 375 | 10 | 1 | 3 | 5.8 | O=C(O)CCCCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1 | 10.1021/jm00101a008 | |||
| 9999718 | 25066 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 378 | 8 | 2 | 4 | 5.1 | CC(C)(CCCCOc1cc(-c2ccc(N)cc2)c2ccccc2n1)C(=O)O | 10.1021/jm00101a007 | |||
| CHEMBL134697 | 25066 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 378 | 8 | 2 | 4 | 5.1 | CC(C)(CCCCOc1cc(-c2ccc(N)cc2)c2ccccc2n1)C(=O)O | 10.1021/jm00101a007 | |||
| 10046386 | 28575 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 397 | 8 | 1 | 3 | 6.2 | CC(C)(CCCCOc1cc(-c2ccccc2)c2cc(Cl)ccc2n1)C(=O)O | 10.1021/jm00101a007 | |||
| CHEMBL137654 | 28575 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 397 | 8 | 1 | 3 | 6.2 | CC(C)(CCCCOc1cc(-c2ccccc2)c2cc(Cl)ccc2n1)C(=O)O | 10.1021/jm00101a007 | |||
| 10482767 | 168612 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 553 | 15 | 1 | 7 | 7.1 | CCCc1c(OCCCOc2ccc(-c3cscn3)c(OC)c2CCC)ccc2c1OC(CCC(=O)O)CC2 | 10.1021/jm00006a002 | |||
| CHEMBL436047 | 168612 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 553 | 15 | 1 | 7 | 7.1 | CCCc1c(OCCCOc2ccc(-c3cscn3)c(OC)c2CCC)ccc2c1OC(CCC(=O)O)CC2 | 10.1021/jm00006a002 | |||
| 44384958 | 59879 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 387 | 6 | 2 | 3 | 5.0 | COc1ccc(C(=O)O)cc1NC(=O)/C=C/c1ccc(-c2ccc(C)cc2)cc1 | 10.1016/S0960-894X(97)00134-0 | |||
| CHEMBL172974 | 59879 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 387 | 6 | 2 | 3 | 5.0 | COc1ccc(C(=O)O)cc1NC(=O)/C=C/c1ccc(-c2ccc(C)cc2)cc1 | 10.1016/S0960-894X(97)00134-0 | |||
| 135507252 | 205597 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 438 | 13 | 3 | 5 | 5.0 | CCc1cc(-c2cc[nH]n2)c(O)cc1OCCCCCOc1ccc(CCC(=O)O)cc1 | 10.1021/jm00041a021 | |||
| CHEMBL81503 | 205597 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 438 | 13 | 3 | 5 | 5.0 | CCc1cc(-c2cc[nH]n2)c(O)cc1OCCCCCOc1ccc(CCC(=O)O)cc1 | 10.1021/jm00041a021 | |||
| 10483151 | 59571 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 571 | 14 | 1 | 8 | 7.1 | CCCc1c(OCCCOc2ccc(-c3csc(SC)n3)c(OC)c2CCC)ccc2c1OC(C(=O)O)CC2 | 10.1021/jm00006a002 | |||
| CHEMBL171780 | 59571 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 571 | 14 | 1 | 8 | 7.1 | CCCc1c(OCCCOc2ccc(-c3csc(SC)n3)c(OC)c2CCC)ccc2c1OC(C(=O)O)CC2 | 10.1021/jm00006a002 | |||
| 18373300 | 119325 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 492 | 8 | 1 | 5 | 6.5 | COc1cc(C(=O)O)ccc1Cc1cn(C(c2ccccc2)c2ccccc2)c2ccc([N+](=O)[O-])cc12 | 10.1016/j.bmcl.2003.08.070 | |||
| CHEMBL344176 | 119325 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 492 | 8 | 1 | 5 | 6.5 | COc1cc(C(=O)O)ccc1Cc1cn(C(c2ccccc2)c2ccccc2)c2ccc([N+](=O)[O-])cc12 | 10.1016/j.bmcl.2003.08.070 | |||
| 10406292 | 28396 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 361 | 9 | 1 | 3 | 5.4 | O=C(O)CCCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1 | 10.1021/jm00101a008 | |||
| CHEMBL137504 | 28396 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 361 | 9 | 1 | 3 | 5.4 | O=C(O)CCCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1 | 10.1021/jm00101a008 | |||
| 204055 | 208311 | 8 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 537 | 13 | 1 | 7 | 6.4 | CCCc1c(OCCCOc2ccc(-c3cscn3)c(OC)c2CC2CC2)ccc2c1OC(C(=O)O)CC2 | 10.1021/jm00006a002 | |||
| CHEMBL99099 | 208311 | 8 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 537 | 13 | 1 | 7 | 6.4 | CCCc1c(OCCCOc2ccc(-c3cscn3)c(OC)c2CC2CC2)ccc2c1OC(C(=O)O)CC2 | 10.1021/jm00006a002 | |||
| 6444688 | 187320 | 35 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 502 | 14 | 2 | 5 | 5.9 | COc1ccc(/C=C/CCCCOc2ccc(C(=O)c3cccc(C(=O)O)c3)cc2CCC(=O)O)cc1 | 10.1021/jm00101a008 | |||
| CHEMBL49302 | 187320 | 35 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 502 | 14 | 2 | 5 | 5.9 | COc1ccc(/C=C/CCCCOc2ccc(C(=O)c3cccc(C(=O)O)c3)cc2CCC(=O)O)cc1 | 10.1021/jm00101a008 | |||
| 6444688 | 187320 | 35 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 502 | 14 | 2 | 5 | 5.9 | COc1ccc(/C=C/CCCCOc2ccc(C(=O)c3cccc(C(=O)O)c3)cc2CCC(=O)O)cc1 | 10.1021/jm00101a007 | |||
| CHEMBL49302 | 187320 | 35 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 502 | 14 | 2 | 5 | 5.9 | COc1ccc(/C=C/CCCCOc2ccc(C(=O)c3cccc(C(=O)O)c3)cc2CCC(=O)O)cc1 | 10.1021/jm00101a007 | |||
| 10023244 | 26162 | 1 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 389 | 9 | 1 | 3 | 6.1 | CC(C)(CCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1)C(=O)O | 10.1021/jm00101a008 | |||
| CHEMBL135671 | 26162 | 1 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 389 | 9 | 1 | 3 | 6.1 | CC(C)(CCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1)C(=O)O | 10.1021/jm00101a008 | |||
| 9999755 | 26572 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 379 | 9 | 1 | 3 | 5.6 | O=C(O)CCCCCOc1cc(-c2ccccc2F)cc(-c2ccccc2)n1 | 10.1021/jm00101a008 | |||
| CHEMBL136094 | 26572 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 379 | 9 | 1 | 3 | 5.6 | O=C(O)CCCCCOc1cc(-c2ccccc2F)cc(-c2ccccc2)n1 | 10.1021/jm00101a008 | |||
| 10091738 | 27803 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 389 | 9 | 1 | 3 | 6.0 | Cc1ccc(-c2cc(OCCCCC(C)C(=O)O)nc(-c3ccccc3)c2)cc1 | 10.1021/jm00101a008 | |||
| CHEMBL137089 | 27803 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 389 | 9 | 1 | 3 | 6.0 | Cc1ccc(-c2cc(OCCCCC(C)C(=O)O)nc(-c3ccccc3)c2)cc1 | 10.1021/jm00101a008 | |||
| 10475503 | 28008 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 390 | 9 | 2 | 4 | 5.3 | CC(CCCCOc1cc(-c2ccc(N)cc2)cc(-c2ccccc2)n1)C(=O)O | 10.1021/jm00101a008 | |||
| CHEMBL137247 | 28008 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 390 | 9 | 2 | 4 | 5.3 | CC(CCCCOc1cc(-c2ccc(N)cc2)cc(-c2ccccc2)n1)C(=O)O | 10.1021/jm00101a008 | |||
| 10406292 | 28396 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 361 | 9 | 1 | 3 | 5.4 | O=C(O)CCCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1 | 10.1021/jm00101a008 | |||
| CHEMBL137504 | 28396 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 361 | 9 | 1 | 3 | 5.4 | O=C(O)CCCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1 | 10.1021/jm00101a008 | |||
| 9976757 | 28501 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 375 | 9 | 1 | 3 | 5.7 | CC(CCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1)C(=O)O | 10.1021/jm00101a008 | |||
| CHEMBL137581 | 28501 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 375 | 9 | 1 | 3 | 5.7 | CC(CCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1)C(=O)O | 10.1021/jm00101a008 | |||
| 10362331 | 28725 | 4 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 379 | 9 | 1 | 3 | 5.6 | O=C(O)CCCCCOc1cc(-c2ccccc2)cc(-c2ccc(F)cc2)n1 | 10.1021/jm00101a008 | |||
| CHEMBL137801 | 28725 | 4 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 379 | 9 | 1 | 3 | 5.6 | O=C(O)CCCCCOc1cc(-c2ccccc2)cc(-c2ccc(F)cc2)n1 | 10.1021/jm00101a008 | |||
| 10451768 | 27896 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 369 | 8 | 1 | 3 | 5.6 | O=C(O)CCCCCOc1cc(-c2ccc(Cl)cc2)c2ccccc2n1 | 10.1021/jm00101a007 | |||
| CHEMBL137168 | 27896 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 369 | 8 | 1 | 3 | 5.6 | O=C(O)CCCCCOc1cc(-c2ccc(Cl)cc2)c2ccccc2n1 | 10.1021/jm00101a007 | |||
| 10387480 | 28012 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 421 | 8 | 1 | 5 | 5.6 | CC(C)(CCCCOc1cc(-c2ccc(Cl)cc2)c2ccccc2n1)c1nnn[nH]1 | 10.1021/jm00101a007 | |||
| CHEMBL137248 | 28012 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 421 | 8 | 1 | 5 | 5.6 | CC(C)(CCCCOc1cc(-c2ccc(Cl)cc2)c2ccccc2n1)c1nnn[nH]1 | 10.1021/jm00101a007 | |||
| 10407251 | 119081 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 377 | 8 | 1 | 3 | 5.9 | Cc1ccc(-c2cc(OCCCCC(C)(C)C(=O)O)nc3ccccc23)cc1 | 10.1021/jm00101a007 | |||
| CHEMBL342688 | 119081 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 377 | 8 | 1 | 3 | 5.9 | Cc1ccc(-c2cc(OCCCCC(C)(C)C(=O)O)nc3ccccc23)cc1 | 10.1021/jm00101a007 | |||
| 10024190 | 25973 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 404 | 10 | 1 | 4 | 5.5 | CN(C)c1ccc(-c2cc(OCCCCCC(=O)O)nc(-c3ccccc3)c2)cc1 | 10.1021/jm00101a008 | |||
| CHEMBL135431 | 25973 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 404 | 10 | 1 | 4 | 5.5 | CN(C)c1ccc(-c2cc(OCCCCCC(=O)O)nc(-c3ccccc3)c2)cc1 | 10.1021/jm00101a008 | |||
| 10362331 | 28725 | 4 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 379 | 9 | 1 | 3 | 5.6 | O=C(O)CCCCCOc1cc(-c2ccccc2)cc(-c2ccc(F)cc2)n1 | 10.1021/jm00101a008 | |||
| CHEMBL137801 | 28725 | 4 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 379 | 9 | 1 | 3 | 5.6 | O=C(O)CCCCCOc1cc(-c2ccccc2)cc(-c2ccc(F)cc2)n1 | 10.1021/jm00101a008 | |||
| 44403823 | 161945 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 3125 | 109 | 25 | 54 | -4.2 | CC(C)(CCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1)c1nnnn1CCCCC(=O)NCCCOCCOCCOCCCNC(=O)[C@H](CS(=O)(=O)O)NC(=O)[C@H](CS(=O)(=O)O)NC(=O)[C@H](CS(=O)(=O)O)NC(=O)[C@H](CS(=O)(=O)O)NC(=O)CC[C@H](NC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)C(=O)N[C@@H](CS(=O)(=O)O)C(=O)N[C@@H](CS(=O)(=O)O)C(=O)N[C@@H](CS(=O)(=O)O)C(=O)N[C@@H](CS(=O)(=O)O)C(=O)NCCCOCCOCCOCCCNC(=O)CCCCn1nnnc1C(C)(C)CCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1 | 10.1021/jm050383h | |||
| CHEMBL415548 | 161945 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 3125 | 109 | 25 | 54 | -4.2 | CC(C)(CCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1)c1nnnn1CCCCC(=O)NCCCOCCOCCOCCCNC(=O)[C@H](CS(=O)(=O)O)NC(=O)[C@H](CS(=O)(=O)O)NC(=O)[C@H](CS(=O)(=O)O)NC(=O)[C@H](CS(=O)(=O)O)NC(=O)CC[C@H](NC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)C(=O)N[C@@H](CS(=O)(=O)O)C(=O)N[C@@H](CS(=O)(=O)O)C(=O)N[C@@H](CS(=O)(=O)O)C(=O)N[C@@H](CS(=O)(=O)O)C(=O)NCCCOCCOCCOCCCNC(=O)CCCCn1nnnc1C(C)(C)CCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1 | 10.1021/jm050383h | |||
| 129065 | 107545 | 29 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 377 | 4 | 3 | 6 | 3.2 | Cc1c(O)c(C)c2sc(NCc3ccc(S(N)(=O)=O)cc3)nc2c1C | 10.1021/jm00045a011 | |||
| CHEMBL318809 | 107545 | 29 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 377 | 4 | 3 | 6 | 3.2 | Cc1c(O)c(C)c2sc(NCc3ccc(S(N)(=O)=O)cc3)nc2c1C | 10.1021/jm00045a011 | |||
| 18963030 | 14623 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 442 | 12 | 2 | 6 | 5.1 | CCc1cc(OCc2ccc(F)cc2)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/S0960-894X(00)80453-9 | |||
| CHEMBL1205054 | 14623 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 442 | 12 | 2 | 6 | 5.1 | CCc1cc(OCc2ccc(F)cc2)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/S0960-894X(00)80453-9 | |||
| CHEMBL47725 | 14623 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 442 | 12 | 2 | 6 | 5.1 | CCc1cc(OCc2ccc(F)cc2)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/S0960-894X(00)80453-9 | |||
| 15666588 | 96876 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 358 | 11 | 1 | 2 | 6.1 | Cc1cc(CCCCCC(C)C(=O)O)c(CCCc2ccccc2)s1 | 10.1021/jm00095a011 | |||
| CHEMBL265563 | 96876 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 358 | 11 | 1 | 2 | 6.1 | Cc1cc(CCCCCC(C)C(=O)O)c(CCCc2ccccc2)s1 | 10.1021/jm00095a011 | |||
| 15666614 | 111303 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 358 | 11 | 1 | 2 | 6.1 | Cc1cc(CCCc2ccccc2)c(CCCCCC(C)C(=O)O)s1 | 10.1021/jm00095a011 | |||
| CHEMBL326650 | 111303 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 358 | 11 | 1 | 2 | 6.1 | Cc1cc(CCCc2ccccc2)c(CCCCCC(C)C(=O)O)s1 | 10.1021/jm00095a011 | |||
| 9841175 | 14649 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 346 | 9 | 3 | 3 | 3.7 | O=C(O)C[C@]1(O)CCC[C@H](/C=C/C(O)CCCCc2ccccc2)C1 | 10.1016/0960-894X(96)00424-6 | |||
| CHEMBL1205297 | 14649 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 346 | 9 | 3 | 3 | 3.7 | O=C(O)C[C@]1(O)CCC[C@H](/C=C/C(O)CCCCc2ccccc2)C1 | 10.1016/0960-894X(96)00424-6 | |||
| CHEMBL77513 | 14649 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 346 | 9 | 3 | 3 | 3.7 | O=C(O)C[C@]1(O)CCC[C@H](/C=C/C(O)CCCCc2ccccc2)C1 | 10.1016/0960-894X(96)00424-6 | |||
| 114999 | 3538 | 21 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 484 | 13 | 1 | 6 | 5.4 | CCCc1c(OCCCOc2ccc(c(c2CCC)OC)C(=O)C)ccc2c1OC(CC2)C(=O)O | 10.1021/jm00126a001 | |||
| 6156 | 3538 | 21 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 484 | 13 | 1 | 6 | 5.4 | CCCc1c(OCCCOc2ccc(c(c2CCC)OC)C(=O)C)ccc2c1OC(CC2)C(=O)O | 10.1021/jm00126a001 | |||
| CHEMBL14823 | 3538 | 21 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 484 | 13 | 1 | 6 | 5.4 | CCCc1c(OCCCOc2ccc(c(c2CCC)OC)C(=O)C)ccc2c1OC(CC2)C(=O)O | 10.1021/jm00126a001 | |||
| 44213761 | 120733 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 346 | 9 | 3 | 3 | 3.7 | O=C(O)CC1(O)CCCC(/C=C/C(O)CCCCc2ccccc2)C1 | 10.1016/s0960-894x(00)00103-7 | |||
| CHEMBL354872 | 120733 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 346 | 9 | 3 | 3 | 3.7 | O=C(O)CC1(O)CCCC(/C=C/C(O)CCCCc2ccccc2)C1 | 10.1016/s0960-894x(00)00103-7 | |||
| 114999 | 3538 | 21 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 484 | 13 | 1 | 6 | 5.4 | CCCc1c(OCCCOc2ccc(c(c2CCC)OC)C(=O)C)ccc2c1OC(CC2)C(=O)O | 10.1021/jm00100a034 | |||
| 6156 | 3538 | 21 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 484 | 13 | 1 | 6 | 5.4 | CCCc1c(OCCCOc2ccc(c(c2CCC)OC)C(=O)C)ccc2c1OC(CC2)C(=O)O | 10.1021/jm00100a034 | |||
| CHEMBL14823 | 3538 | 21 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 484 | 13 | 1 | 6 | 5.4 | CCCc1c(OCCCOc2ccc(c(c2CCC)OC)C(=O)C)ccc2c1OC(CC2)C(=O)O | 10.1021/jm00100a034 | |||
| 10387303 | 27600 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 418 | 11 | 2 | 4 | 6.3 | CC(C)Nc1ccc(-c2cc(OCCCCCC(=O)O)nc(-c3ccccc3)c2)cc1 | 10.1021/jm00101a008 | |||
| CHEMBL136955 | 27600 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 418 | 11 | 2 | 4 | 6.3 | CC(C)Nc1ccc(-c2cc(OCCCCCC(=O)O)nc(-c3ccccc3)c2)cc1 | 10.1021/jm00101a008 | |||
| 10427789 | 27940 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 347 | 8 | 1 | 3 | 5.0 | O=C(O)CCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1 | 10.1021/jm00101a008 | |||
| CHEMBL137201 | 27940 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 347 | 8 | 1 | 3 | 5.0 | O=C(O)CCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1 | 10.1021/jm00101a008 | |||
| 10455429 | 28962 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 431 | 8 | 1 | 3 | 6.6 | CC(C)(CCCCOc1cc(-c2ccc(C(F)(F)F)cc2)c2ccccc2n1)C(=O)O | 10.1021/jm00101a007 | |||
| CHEMBL138018 | 28962 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 431 | 8 | 1 | 3 | 6.6 | CC(C)(CCCCOc1cc(-c2ccc(C(F)(F)F)cc2)c2ccccc2n1)C(=O)O | 10.1021/jm00101a007 | |||
| 10430678 | 168409 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 393 | 9 | 1 | 4 | 5.6 | COc1cccc(-c2cc(OCCCCC(C)(C)C(=O)O)nc3ccccc23)c1 | 10.1021/jm00101a007 | |||
| CHEMBL434810 | 168409 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 393 | 9 | 1 | 4 | 5.6 | COc1cccc(-c2cc(OCCCCC(C)(C)C(=O)O)nc3ccccc23)c1 | 10.1021/jm00101a007 | |||
| 10314767 | 28542 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 333 | 7 | 1 | 3 | 4.7 | O=C(O)CCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1 | 10.1021/jm00101a008 | |||
| CHEMBL137633 | 28542 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 333 | 7 | 1 | 3 | 4.7 | O=C(O)CCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1 | 10.1021/jm00101a008 | |||
| 10407131 | 161956 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 375 | 9 | 1 | 3 | 5.7 | Cc1ccc(-c2cc(-c3ccccc3)cc(OCCCCCC(=O)O)n2)cc1 | 10.1021/jm00101a008 | |||
| CHEMBL415687 | 161956 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 375 | 9 | 1 | 3 | 5.7 | Cc1ccc(-c2cc(-c3ccccc3)cc(OCCCCCC(=O)O)n2)cc1 | 10.1021/jm00101a008 | |||
| 114999 | 3538 | 21 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 484 | 13 | 1 | 6 | 5.4 | CCCc1c(OCCCOc2ccc(c(c2CCC)OC)C(=O)C)ccc2c1OC(CC2)C(=O)O | 10.1021/jm00070a015 | |||
| 6156 | 3538 | 21 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 484 | 13 | 1 | 6 | 5.4 | CCCc1c(OCCCOc2ccc(c(c2CCC)OC)C(=O)C)ccc2c1OC(CC2)C(=O)O | 10.1021/jm00070a015 | |||
| CHEMBL14823 | 3538 | 21 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 484 | 13 | 1 | 6 | 5.4 | CCCc1c(OCCCOc2ccc(c(c2CCC)OC)C(=O)C)ccc2c1OC(CC2)C(=O)O | 10.1021/jm00070a015 | |||
| 15666630 | 8089 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 362 | 11 | 1 | 3 | 6.0 | Cc1cc(CCCc2ccccc2)c(SCCCCCC(=O)O)s1 | 10.1021/jm00095a011 | |||
| CHEMBL109129 | 8089 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 362 | 11 | 1 | 3 | 6.0 | Cc1cc(CCCc2ccccc2)c(SCCCCCC(=O)O)s1 | 10.1021/jm00095a011 | |||
| 15666582 | 110686 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 360 | 12 | 1 | 3 | 5.5 | COc1ccc(CCCc2sccc2CCCCCCC(=O)O)cc1 | 10.1021/jm00095a011 | |||
| CHEMBL326000 | 110686 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 360 | 12 | 1 | 3 | 5.5 | COc1ccc(CCCc2sccc2CCCCCCC(=O)O)cc1 | 10.1021/jm00095a011 | |||
| 44317392 | 205247 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 511 | 13 | 2 | 7 | 4.8 | CCCc1c(OCCCOc2cc(O)c(C(=O)/C=C/N(C)C)cc2CC)ccc2c1OC(C(=O)O)CC2 | 10.1021/jm00041a021 | |||
| CHEMBL78859 | 205247 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 511 | 13 | 2 | 7 | 4.8 | CCCc1c(OCCCOc2cc(O)c(C(=O)/C=C/N(C)C)cc2CC)ccc2c1OC(C(=O)O)CC2 | 10.1021/jm00041a021 | |||
| 2487 | 2368 | 36 | None | 31 | 2 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 336 | 14 | 3 | 3 | 4.2 | CCCCC/C=C\C[C@H](/C=C/C=C/C=C\[C@H](CCCC(=O)O)O)O | 10.1016/S0960-894X(01)80853-2 | |||
| 5280492 | 2368 | 36 | None | 31 | 2 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 336 | 14 | 3 | 3 | 4.2 | CCCCC/C=C\C[C@H](/C=C/C=C/C=C\[C@H](CCCC(=O)O)O)O | 10.1016/S0960-894X(01)80853-2 | |||
| CHEMBL65061 | 2368 | 36 | None | 31 | 2 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 336 | 14 | 3 | 3 | 4.2 | CCCCC/C=C\C[C@H](/C=C/C=C/C=C\[C@H](CCCC(=O)O)O)O | 10.1016/S0960-894X(01)80853-2 | |||
| DB12961 | 2368 | 36 | None | 31 | 2 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 336 | 14 | 3 | 3 | 4.2 | CCCCC/C=C\C[C@H](/C=C/C=C/C=C\[C@H](CCCC(=O)O)O)O | 10.1016/S0960-894X(01)80853-2 | |||
| 114999 | 3538 | 21 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 484 | 13 | 1 | 6 | 5.4 | CCCc1c(OCCCOc2ccc(c(c2CCC)OC)C(=O)C)ccc2c1OC(CC2)C(=O)O | 10.1021/jm00006a002 | |||
| 6156 | 3538 | 21 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 484 | 13 | 1 | 6 | 5.4 | CCCc1c(OCCCOc2ccc(c(c2CCC)OC)C(=O)C)ccc2c1OC(CC2)C(=O)O | 10.1021/jm00006a002 | |||
| CHEMBL14823 | 3538 | 21 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 484 | 13 | 1 | 6 | 5.4 | CCCc1c(OCCCOc2ccc(c(c2CCC)OC)C(=O)C)ccc2c1OC(CC2)C(=O)O | 10.1021/jm00006a002 | |||
| 10053028 | 59006 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 540 | 13 | 2 | 8 | 5.9 | CCCc1c(OCCCOc2ccc(-c3csc(N)n3)c(OC)c2CCC)ccc2c1OC(C(=O)O)CC2 | 10.1021/jm00006a002 | |||
| CHEMBL169120 | 59006 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 540 | 13 | 2 | 8 | 5.9 | CCCc1c(OCCCOc2ccc(-c3csc(N)n3)c(OC)c2CCC)ccc2c1OC(C(=O)O)CC2 | 10.1021/jm00006a002 | |||
| 6441619 | 206782 | 18 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 459 | 9 | 1 | 4 | 6.4 | O=C(O)/C=C/c1nc(CSc2c(Cl)cccc2Cl)ccc1OCCc1ccccc1 | 10.1021/jm960248s | |||
| CHEMBL90214 | 206782 | 18 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 459 | 9 | 1 | 4 | 6.4 | O=C(O)/C=C/c1nc(CSc2c(Cl)cccc2Cl)ccc1OCCc1ccccc1 | 10.1021/jm960248s | |||
| 18963062 | 14782 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 404 | 13 | 2 | 6 | 4.8 | CCc1cc(OCCC(C)C)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/S0960-894X(00)80453-9 | |||
| CHEMBL1206683 | 14782 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 404 | 13 | 2 | 6 | 4.8 | CCc1cc(OCCC(C)C)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/S0960-894X(00)80453-9 | |||
| CHEMBL295799 | 14782 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 404 | 13 | 2 | 6 | 4.8 | CCc1cc(OCCC(C)C)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/S0960-894X(00)80453-9 | |||
| 15666601 | 6146 | 1 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 302 | 9 | 1 | 2 | 4.7 | O=C(O)CCCCc1sccc1CCCc1ccccc1 | 10.1021/jm00095a011 | |||
| CHEMBL108094 | 6146 | 1 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 302 | 9 | 1 | 2 | 4.7 | O=C(O)CCCCc1sccc1CCCc1ccccc1 | 10.1021/jm00095a011 | |||
| 15839733 | 45636 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 458 | 14 | 2 | 6 | 5.2 | CCCc1c(OCCCOc2cc(O)c(C(C)=O)cc2CC)cccc1OC(CC)C(=O)O | 10.1016/S0960-894X(00)80304-2 | |||
| CHEMBL15295 | 45636 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 458 | 14 | 2 | 6 | 5.2 | CCCc1c(OCCCOc2cc(O)c(C(C)=O)cc2CC)cccc1OC(CC)C(=O)O | 10.1016/S0960-894X(00)80304-2 | |||
| 44296838 | 194840 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 334 | 14 | 2 | 2 | 5.4 | CCCCC/C=C\C[C@@H](C)/C=C/C=C/C=C/[C@@H](O)CCCC(=O)O | 10.1016/S0960-894X(01)80795-2 | |||
| CHEMBL53967 | 194840 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 334 | 14 | 2 | 2 | 5.4 | CCCCC/C=C\C[C@@H](C)/C=C/C=C/C=C/[C@@H](O)CCCC(=O)O | 10.1016/S0960-894X(01)80795-2 | |||
| 15839729 | 206888 | 1 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 456 | 11 | 2 | 6 | 4.7 | CCCc1c(OCCCOc2cc(O)c(C(C)=O)cc2CC)ccc2c1OC(C(=O)O)CC2 | 10.1021/jm960088k | |||
| CHEMBL15559 | 206888 | 1 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 456 | 11 | 2 | 6 | 4.7 | CCCc1c(OCCCOc2cc(O)c(C(C)=O)cc2CC)ccc2c1OC(C(=O)O)CC2 | 10.1021/jm960088k | |||
| CHEMBL90788 | 206888 | 1 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 456 | 11 | 2 | 6 | 4.7 | CCCc1c(OCCCOc2cc(O)c(C(C)=O)cc2CC)ccc2c1OC(C(=O)O)CC2 | 10.1021/jm960088k | |||
| 15839729 | 206888 | 1 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 456 | 11 | 2 | 6 | 4.7 | CCCc1c(OCCCOc2cc(O)c(C(C)=O)cc2CC)ccc2c1OC(C(=O)O)CC2 | 10.1016/S0960-894X(00)80304-2 | |||
| CHEMBL15559 | 206888 | 1 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 456 | 11 | 2 | 6 | 4.7 | CCCc1c(OCCCOc2cc(O)c(C(C)=O)cc2CC)ccc2c1OC(C(=O)O)CC2 | 10.1016/S0960-894X(00)80304-2 | |||
| CHEMBL90788 | 206888 | 1 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 456 | 11 | 2 | 6 | 4.7 | CCCc1c(OCCCOc2cc(O)c(C(C)=O)cc2CC)ccc2c1OC(C(=O)O)CC2 | 10.1016/S0960-894X(00)80304-2 | |||
| 9955657 | 206655 | 15 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 455 | 13 | 2 | 5 | 4.9 | COc1cc(C(=O)N(C(C)C)C(C)C)ccc1OCCCCCOc1ccc(C(=N)N)cc1 | 10.1021/jm960088k | |||
| CHEMBL89326 | 206655 | 15 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 455 | 13 | 2 | 5 | 4.9 | COc1cc(C(=O)N(C(C)C)C(C)C)ccc1OCCCCCOc1ccc(C(=N)N)cc1 | 10.1021/jm960088k | |||
| 9893718 | 206501 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 548 | 12 | 3 | 8 | 5.0 | CCc1cc(C(C)=O)c(O)cc1OCCCOc1ccc2c(=O)c3cc(C(=O)O)ccc3oc2c1CCC(=O)O | 10.1021/jm960088k | |||
| CHEMBL292768 | 206501 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 548 | 12 | 3 | 8 | 5.0 | CCc1cc(C(C)=O)c(O)cc1OCCCOc1ccc2c(=O)c3cc(C(=O)O)ccc3oc2c1CCC(=O)O | 10.1021/jm960088k | |||
| CHEMBL88337 | 206501 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 548 | 12 | 3 | 8 | 5.0 | CCc1cc(C(C)=O)c(O)cc1OCCCOc1ccc2c(=O)c3cc(C(=O)O)ccc3oc2c1CCC(=O)O | 10.1021/jm960088k | |||
| 9893718 | 206501 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 548 | 12 | 3 | 8 | 5.0 | CCc1cc(C(C)=O)c(O)cc1OCCCOc1ccc2c(=O)c3cc(C(=O)O)ccc3oc2c1CCC(=O)O | 10.1016/S0960-894X(01)80999-9 | |||
| CHEMBL292768 | 206501 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 548 | 12 | 3 | 8 | 5.0 | CCc1cc(C(C)=O)c(O)cc1OCCCOc1ccc2c(=O)c3cc(C(=O)O)ccc3oc2c1CCC(=O)O | 10.1016/S0960-894X(01)80999-9 | |||
| CHEMBL88337 | 206501 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 548 | 12 | 3 | 8 | 5.0 | CCc1cc(C(C)=O)c(O)cc1OCCCOc1ccc2c(=O)c3cc(C(=O)O)ccc3oc2c1CCC(=O)O | 10.1016/S0960-894X(01)80999-9 | |||
| 10046878 | 28433 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 405 | 10 | 1 | 4 | 5.7 | COc1ccc(-c2cc(OCCCCC(C)C(=O)O)nc(-c3ccccc3)c2)cc1 | 10.1021/jm00101a008 | |||
| CHEMBL137531 | 28433 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 405 | 10 | 1 | 4 | 5.7 | COc1ccc(-c2cc(OCCCCC(C)C(=O)O)nc(-c3ccccc3)c2)cc1 | 10.1021/jm00101a008 | |||
| 9976757 | 28501 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 375 | 9 | 1 | 3 | 5.7 | CC(CCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1)C(=O)O | 10.1021/jm00101a008 | |||
| CHEMBL137581 | 28501 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 375 | 9 | 1 | 3 | 5.7 | CC(CCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1)C(=O)O | 10.1021/jm00101a008 | |||
| 10430674 | 119338 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 393 | 9 | 1 | 3 | 5.8 | CC(CCCCOc1cc(-c2ccccc2)cc(-c2ccccc2F)n1)C(=O)O | 10.1021/jm00101a008 | |||
| CHEMBL344230 | 119338 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 393 | 9 | 1 | 3 | 5.8 | CC(CCCCOc1cc(-c2ccccc2)cc(-c2ccccc2F)n1)C(=O)O | 10.1021/jm00101a008 | |||
| 9912012 | 162204 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 458 | 12 | 2 | 6 | 4.9 | CCCc1c(OCCCOc2cc(O)c(OCC)cc2CC)ccc2c1OC(C(=O)O)CC2 | 10.1016/S0960-894X(00)80454-0 | |||
| CHEMBL416277 | 162204 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 458 | 12 | 2 | 6 | 4.9 | CCCc1c(OCCCOc2cc(O)c(OCC)cc2CC)ccc2c1OC(C(=O)O)CC2 | 10.1016/S0960-894X(00)80454-0 | |||
| 10364772 | 28160 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 419 | 9 | 1 | 5 | 5.4 | CC(CCCCOc1cc(-c2ccc3c(c2)OCO3)cc(-c2ccccc2)n1)C(=O)O | 10.1021/jm00101a008 | |||
| CHEMBL137341 | 28160 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 419 | 9 | 1 | 5 | 5.4 | CC(CCCCOc1cc(-c2ccc3c(c2)OCO3)cc(-c2ccccc2)n1)C(=O)O | 10.1021/jm00101a008 | |||
| 204055 | 208311 | 8 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 537 | 13 | 1 | 7 | 6.4 | CCCc1c(OCCCOc2ccc(-c3cscn3)c(OC)c2CC2CC2)ccc2c1OC(C(=O)O)CC2 | 10.1021/jm00006a002 | |||
| CHEMBL99099 | 208311 | 8 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 537 | 13 | 1 | 7 | 6.4 | CCCc1c(OCCCOc2ccc(-c3cscn3)c(OC)c2CC2CC2)ccc2c1OC(C(=O)O)CC2 | 10.1021/jm00006a002 | |||
| 135543808 | 205584 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 480 | 11 | 3 | 6 | 4.9 | CCCc1c(OCCCOc2cc(O)c(-c3cc[nH]n3)cc2CC)ccc2c1OC(C(=O)O)CC2 | 10.1021/jm00041a021 | |||
| CHEMBL81401 | 205584 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 480 | 11 | 3 | 6 | 4.9 | CCCc1c(OCCCOc2cc(O)c(-c3cc[nH]n3)cc2CC)ccc2c1OC(C(=O)O)CC2 | 10.1021/jm00041a021 | |||
| 132379 | 111732 | 19 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 453 | 9 | 1 | 3 | 5.4 | CN(CCc1ccccc1)C(=O)Cc1cc(C(=O)O)cc2c(OCc3ccccc3)cccc12 | 10.1021/jm9506985 | |||
| CHEMBL328712 | 111732 | 19 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 453 | 9 | 1 | 3 | 5.4 | CN(CCc1ccccc1)C(=O)Cc1cc(C(=O)O)cc2c(OCc3ccccc3)cccc12 | 10.1021/jm9506985 | |||
| 132379 | 111732 | 19 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 453 | 9 | 1 | 3 | 5.4 | CN(CCc1ccccc1)C(=O)Cc1cc(C(=O)O)cc2c(OCc3ccccc3)cccc12 | 10.1021/jm00100a034 | |||
| CHEMBL328712 | 111732 | 19 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 453 | 9 | 1 | 3 | 5.4 | CN(CCc1ccccc1)C(=O)Cc1cc(C(=O)O)cc2c(OCc3ccccc3)cccc12 | 10.1021/jm00100a034 | |||
| 10292143 | 116597 | 1 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 362 | 11 | 2 | 6 | 3.8 | CCOc1cc(CC)c(OCCCCCC(C)(C)c2nn[nH]n2)cc1O | 10.1016/S0960-894X(00)80453-9 | |||
| CHEMBL336665 | 116597 | 1 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 362 | 11 | 2 | 6 | 3.8 | CCOc1cc(CC)c(OCCCCCC(C)(C)c2nn[nH]n2)cc1O | 10.1016/S0960-894X(00)80453-9 | |||
| CHEMBL48667 | 116597 | 1 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 362 | 11 | 2 | 6 | 3.8 | CCOc1cc(CC)c(OCCCCCC(C)(C)c2nn[nH]n2)cc1O | 10.1016/S0960-894X(00)80453-9 | |||
| 10292143 | 116597 | 1 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 362 | 11 | 2 | 6 | 3.8 | CCOc1cc(CC)c(OCCCCCC(C)(C)c2nn[nH]n2)cc1O | 10.1016/S0960-894X(00)80454-0 | |||
| CHEMBL336665 | 116597 | 1 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 362 | 11 | 2 | 6 | 3.8 | CCOc1cc(CC)c(OCCCCCC(C)(C)c2nn[nH]n2)cc1O | 10.1016/S0960-894X(00)80454-0 | |||
| CHEMBL48667 | 116597 | 1 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 362 | 11 | 2 | 6 | 3.8 | CCOc1cc(CC)c(OCCCCCC(C)(C)c2nn[nH]n2)cc1O | 10.1016/S0960-894X(00)80454-0 | |||
| 10090758 | 59000 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 373 | 9 | 2 | 3 | 3.7 | CN(C)C(=O)CC1(O)CCCC(/C=C/C(O)CCCCc2ccccc2)C1 | 10.1016/s0960-894x(00)00103-7 | |||
| CHEMBL169055 | 59000 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 373 | 9 | 2 | 3 | 3.7 | CN(C)C(=O)CC1(O)CCCC(/C=C/C(O)CCCCc2ccccc2)C1 | 10.1016/s0960-894x(00)00103-7 | |||
| 10047140 | 27607 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 409 | 9 | 1 | 3 | 6.3 | CC(CCCCOc1cc(-c2cccc(Cl)c2)cc(-c2ccccc2)n1)C(=O)O | 10.1021/jm00101a008 | |||
| CHEMBL136960 | 27607 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 409 | 9 | 1 | 3 | 6.3 | CC(CCCCOc1cc(-c2cccc(Cl)c2)cc(-c2ccccc2)n1)C(=O)O | 10.1021/jm00101a008 | |||
| 10001576 | 28381 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 409 | 9 | 1 | 3 | 6.3 | CC(CCCCOc1cc(-c2ccc(Cl)cc2)cc(-c2ccccc2)n1)C(=O)O | 10.1021/jm00101a008 | |||
| CHEMBL137494 | 28381 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 409 | 9 | 1 | 3 | 6.3 | CC(CCCCOc1cc(-c2ccc(Cl)cc2)cc(-c2ccccc2)n1)C(=O)O | 10.1021/jm00101a008 | |||
| 9999718 | 25066 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 378 | 8 | 2 | 4 | 5.1 | CC(C)(CCCCOc1cc(-c2ccc(N)cc2)c2ccccc2n1)C(=O)O | 10.1021/jm00101a007 | |||
| CHEMBL134697 | 25066 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 378 | 8 | 2 | 4 | 5.1 | CC(C)(CCCCOc1cc(-c2ccc(N)cc2)c2ccccc2n1)C(=O)O | 10.1021/jm00101a007 | |||
| 14946858 | 29161 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 375 | 9 | 0 | 4 | 5.5 | COC(=O)CCCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1 | 10.1021/jm00101a008 | |||
| CHEMBL138174 | 29161 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 375 | 9 | 0 | 4 | 5.5 | COC(=O)CCCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1 | 10.1021/jm00101a008 | |||
| 10068808 | 27710 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 387 | 8 | 1 | 5 | 4.9 | CC(C)(CCCCOc1cc(-c2ccccc2)c2ccccc2n1)c1nnn[nH]1 | 10.1021/jm00101a007 | |||
| CHEMBL137030 | 27710 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 387 | 8 | 1 | 5 | 4.9 | CC(C)(CCCCOc1cc(-c2ccccc2)c2ccccc2n1)c1nnn[nH]1 | 10.1021/jm00101a007 | |||
| 18373405 | 31697 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 525 | 7 | 1 | 3 | 7.3 | COc1cc(C(=O)O)ccc1Cc1cn(C(c2ccccc2)c2ccccc2)c2ccc(Br)cc12 | 10.1016/j.bmcl.2003.08.070 | |||
| CHEMBL140539 | 31697 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 525 | 7 | 1 | 3 | 7.3 | COc1cc(C(=O)O)ccc1Cc1cn(C(c2ccccc2)c2ccccc2)c2ccc(Br)cc12 | 10.1016/j.bmcl.2003.08.070 | |||
| 18373357 | 116793 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 461 | 7 | 1 | 3 | 6.9 | COc1cc(C(=O)O)ccc1Cc1cn(C(c2ccccc2)c2ccccc2)c2ccc(C)cc12 | 10.1016/j.bmcl.2003.08.070 | |||
| CHEMBL337790 | 116793 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 461 | 7 | 1 | 3 | 6.9 | COc1cc(C(=O)O)ccc1Cc1cn(C(c2ccccc2)c2ccccc2)c2ccc(C)cc12 | 10.1016/j.bmcl.2003.08.070 | |||
| 44359651 | 119183 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 481 | 7 | 1 | 3 | 7.2 | COc1cc(C(=O)O)ccc1Cc1cn(C(c2ccccc2)c2ccccc2)c2ccc(Cl)cc12 | 10.1016/j.bmcl.2003.08.070 | |||
| CHEMBL343124 | 119183 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 481 | 7 | 1 | 3 | 7.2 | COc1cc(C(=O)O)ccc1Cc1cn(C(c2ccccc2)c2ccccc2)c2ccc(Cl)cc12 | 10.1016/j.bmcl.2003.08.070 | |||
| 10021742 | 9456 | 6 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 365 | 4 | 1 | 7 | 2.6 | Cn1c(N)nc(Cc2ccc3c(c2)OCO3)c1Cc1ccc2c(c1)OCO2 | 10.1021/np50100a005 | |||
| CHEMBL111825 | 9456 | 6 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 365 | 4 | 1 | 7 | 2.6 | Cn1c(N)nc(Cc2ccc3c(c2)OCO3)c1Cc1ccc2c(c1)OCO2 | 10.1021/np50100a005 | |||
| 10248148 | 115995 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 363 | 8 | 1 | 3 | 5.6 | CC(C)(CCCCOc1cc(-c2ccccc2)c2ccccc2n1)C(=O)O | 10.1021/jm00101a007 | |||
| CHEMBL335525 | 115995 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 363 | 8 | 1 | 3 | 5.6 | CC(C)(CCCCOc1cc(-c2ccccc2)c2ccccc2n1)C(=O)O | 10.1021/jm00101a007 | |||
| 44270188 | 51386 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 484 | 13 | 1 | 6 | 5.4 | CCCc1cc(OCCCOc2ccc(C(C)=O)c(OC)c2CCC)cc2c1OC(C(=O)O)CC2 | 10.1016/S0960-894X(00)80304-2 | |||
| CHEMBL15817 | 51386 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 484 | 13 | 1 | 6 | 5.4 | CCCc1cc(OCCCOc2ccc(C(C)=O)c(OC)c2CCC)cc2c1OC(C(=O)O)CC2 | 10.1016/S0960-894X(00)80304-2 | |||
| 18963059 | 14624 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 402 | 11 | 2 | 6 | 4.7 | CCc1cc(OC2CCCC2)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/S0960-894X(00)80453-9 | |||
| CHEMBL1205055 | 14624 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 402 | 11 | 2 | 6 | 4.7 | CCc1cc(OC2CCCC2)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/S0960-894X(00)80453-9 | |||
| CHEMBL47726 | 14624 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 402 | 11 | 2 | 6 | 4.7 | CCc1cc(OC2CCCC2)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/S0960-894X(00)80453-9 | |||
| 204055 | 208311 | 8 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 537 | 13 | 1 | 7 | 6.4 | CCCc1c(OCCCOc2ccc(-c3cscn3)c(OC)c2CC2CC2)ccc2c1OC(C(=O)O)CC2 | 10.1021/jm00006a002 | |||
| CHEMBL99099 | 208311 | 8 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 537 | 13 | 1 | 7 | 6.4 | CCCc1c(OCCCOc2ccc(-c3cscn3)c(OC)c2CC2CC2)ccc2c1OC(C(=O)O)CC2 | 10.1021/jm00006a002 | |||
| 60490 | 207261 | 106 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 236 | 2 | 2 | 3 | 2.7 | CC(c1cc2ccccc2s1)N(O)C(N)=O | 10.1021/jm950725r | |||
| CHEMBL93 | 207261 | 106 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 236 | 2 | 2 | 3 | 2.7 | CC(c1cc2ccccc2s1)N(O)C(N)=O | 10.1021/jm950725r | |||
| 114999 | 3538 | 21 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 484 | 13 | 1 | 6 | 5.4 | CCCc1c(OCCCOc2ccc(c(c2CCC)OC)C(=O)C)ccc2c1OC(CC2)C(=O)O | 10.1021/jm00006a002 | |||
| 6156 | 3538 | 21 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 484 | 13 | 1 | 6 | 5.4 | CCCc1c(OCCCOc2ccc(c(c2CCC)OC)C(=O)C)ccc2c1OC(CC2)C(=O)O | 10.1021/jm00006a002 | |||
| CHEMBL14823 | 3538 | 21 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 484 | 13 | 1 | 6 | 5.4 | CCCc1c(OCCCOc2ccc(c(c2CCC)OC)C(=O)C)ccc2c1OC(CC2)C(=O)O | 10.1021/jm00006a002 | |||
| 9934323 | 100253 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 468 | 14 | 2 | 5 | 6.2 | CCCCCCCCCCOc1ccc2c(=O)c3cc(C(=O)O)ccc3oc2c1CCC(=O)O | 10.1021/jm00064a006 | |||
| CHEMBL288758 | 100253 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 468 | 14 | 2 | 5 | 6.2 | CCCCCCCCCCOc1ccc2c(=O)c3cc(C(=O)O)ccc3oc2c1CCC(=O)O | 10.1021/jm00064a006 | |||
| 10170399 | 14822 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 1018 | 33 | 4 | 16 | 7.6 | CC(C)(CCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1)c1nnnn1CCCCC(=O)NCCCOCCOCCOCCCNC(=O)c1ccc(N/N=C/c2ccccc2S(=O)(=O)O)nc1 | 10.1021/jm050383h | |||
| CHEMBL1207275 | 14822 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 1018 | 33 | 4 | 16 | 7.6 | CC(C)(CCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1)c1nnnn1CCCCC(=O)NCCCOCCOCCOCCCNC(=O)c1ccc(N/N=C/c2ccccc2S(=O)(=O)O)nc1 | 10.1021/jm050383h | |||
| CHEMBL384950 | 14822 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 1018 | 33 | 4 | 16 | 7.6 | CC(C)(CCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1)c1nnnn1CCCCC(=O)NCCCOCCOCCOCCCNC(=O)c1ccc(N/N=C/c2ccccc2S(=O)(=O)O)nc1 | 10.1021/jm050383h | |||
| 10415107 | 14898 | 0 | None | - | 0 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 504 | 4 | 2 | 7 | 4.1 | CC1(C)CCC[C@@]2(C)[C@H]1CC[C@@]1(C)OCc3c(OS(=O)(=O)O)ccc(OS(=O)(=O)O)c3C[C@H]21 | 10.1021/np50120a024 | |||
| CHEMBL1207951 | 14898 | 0 | None | - | 0 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 504 | 4 | 2 | 7 | 4.1 | CC1(C)CCC[C@@]2(C)[C@H]1CC[C@@]1(C)OCc3c(OS(=O)(=O)O)ccc(OS(=O)(=O)O)c3C[C@H]21 | 10.1021/np50120a024 | |||
| CHEMBL462734 | 14898 | 0 | None | - | 0 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 504 | 4 | 2 | 7 | 4.1 | CC1(C)CCC[C@@]2(C)[C@H]1CC[C@@]1(C)OCc3c(OS(=O)(=O)O)ccc(OS(=O)(=O)O)c3C[C@H]21 | 10.1021/np50120a024 | |||
| 10022413 | 27658 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 376 | 9 | 2 | 4 | 5.0 | Nc1ccc(-c2cc(OCCCCCC(=O)O)nc(-c3ccccc3)c2)cc1 | 10.1021/jm00101a008 | |||
| CHEMBL136991 | 27658 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 376 | 9 | 2 | 4 | 5.0 | Nc1ccc(-c2cc(OCCCCCC(=O)O)nc(-c3ccccc3)c2)cc1 | 10.1021/jm00101a008 | |||
| 10170399 | 14822 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 1018 | 33 | 4 | 16 | 7.6 | CC(C)(CCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1)c1nnnn1CCCCC(=O)NCCCOCCOCCOCCCNC(=O)c1ccc(N/N=C/c2ccccc2S(=O)(=O)O)nc1 | 10.1021/jm050383h | |||
| CHEMBL1207275 | 14822 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 1018 | 33 | 4 | 16 | 7.6 | CC(C)(CCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1)c1nnnn1CCCCC(=O)NCCCOCCOCCOCCCNC(=O)c1ccc(N/N=C/c2ccccc2S(=O)(=O)O)nc1 | 10.1021/jm050383h | |||
| CHEMBL384950 | 14822 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 1018 | 33 | 4 | 16 | 7.6 | CC(C)(CCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1)c1nnnn1CCCCC(=O)NCCCOCCOCCOCCCNC(=O)c1ccc(N/N=C/c2ccccc2S(=O)(=O)O)nc1 | 10.1021/jm050383h | |||
| 15666610 | 7905 | 1 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 316 | 10 | 1 | 2 | 5.1 | O=C(O)CCCCCc1sccc1CCCc1ccccc1 | 10.1021/jm00095a011 | |||
| CHEMBL109016 | 7905 | 1 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 316 | 10 | 1 | 2 | 5.1 | O=C(O)CCCCCc1sccc1CCCc1ccccc1 | 10.1021/jm00095a011 | |||
| 44385160 | 61352 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 387 | 6 | 2 | 3 | 5.0 | COc1ccc(C(=O)O)cc1NC(=O)/C=C/c1ccc(-c2ccccc2C)cc1 | 10.1016/S0960-894X(97)00134-0 | |||
| CHEMBL176748 | 61352 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 387 | 6 | 2 | 3 | 5.0 | COc1ccc(C(=O)O)cc1NC(=O)/C=C/c1ccc(-c2ccccc2C)cc1 | 10.1016/S0960-894X(97)00134-0 | |||
| 19427041 | 14643 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 534 | 14 | 3 | 7 | 5.0 | CCc1cc(C(C)=O)c(O)cc1OCCCOc1ccc(C(=O)c2cccc(C(=O)O)c2)cc1CCC(=O)O | 10.1016/S0960-894X(01)80999-9 | |||
| CHEMBL1205171 | 14643 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 534 | 14 | 3 | 7 | 5.0 | CCc1cc(C(C)=O)c(O)cc1OCCCOc1ccc(C(=O)c2cccc(C(=O)O)c2)cc1CCC(=O)O | 10.1016/S0960-894X(01)80999-9 | |||
| CHEMBL60881 | 14643 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 534 | 14 | 3 | 7 | 5.0 | CCc1cc(C(C)=O)c(O)cc1OCCCOc1ccc(C(=O)c2cccc(C(=O)O)c2)cc1CCC(=O)O | 10.1016/S0960-894X(01)80999-9 | |||
| 10023244 | 26162 | 1 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 389 | 9 | 1 | 3 | 6.1 | CC(C)(CCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1)C(=O)O | 10.1021/jm00101a008 | |||
| CHEMBL135671 | 26162 | 1 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 389 | 9 | 1 | 3 | 6.1 | CC(C)(CCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1)C(=O)O | 10.1021/jm00101a008 | |||
| 10047140 | 27607 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 409 | 9 | 1 | 3 | 6.3 | CC(CCCCOc1cc(-c2cccc(Cl)c2)cc(-c2ccccc2)n1)C(=O)O | 10.1021/jm00101a008 | |||
| CHEMBL136960 | 27607 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 409 | 9 | 1 | 3 | 6.3 | CC(CCCCOc1cc(-c2cccc(Cl)c2)cc(-c2ccccc2)n1)C(=O)O | 10.1021/jm00101a008 | |||
| 10475503 | 28008 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 390 | 9 | 2 | 4 | 5.3 | CC(CCCCOc1cc(-c2ccc(N)cc2)cc(-c2ccccc2)n1)C(=O)O | 10.1021/jm00101a008 | |||
| CHEMBL137247 | 28008 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 390 | 9 | 2 | 4 | 5.3 | CC(CCCCOc1cc(-c2ccc(N)cc2)cc(-c2ccccc2)n1)C(=O)O | 10.1021/jm00101a008 | |||
| 10318241 | 28348 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 390 | 10 | 2 | 4 | 5.5 | CNc1ccc(-c2cc(OCCCCCC(=O)O)nc(-c3ccccc3)c2)cc1 | 10.1021/jm00101a008 | |||
| CHEMBL137472 | 28348 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 390 | 10 | 2 | 4 | 5.5 | CNc1ccc(-c2cc(OCCCCCC(=O)O)nc(-c3ccccc3)c2)cc1 | 10.1021/jm00101a008 | |||
| 10001576 | 28381 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 409 | 9 | 1 | 3 | 6.3 | CC(CCCCOc1cc(-c2ccc(Cl)cc2)cc(-c2ccccc2)n1)C(=O)O | 10.1021/jm00101a008 | |||
| CHEMBL137494 | 28381 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 409 | 9 | 1 | 3 | 6.3 | CC(CCCCOc1cc(-c2ccc(Cl)cc2)cc(-c2ccccc2)n1)C(=O)O | 10.1021/jm00101a008 | |||
| 10436331 | 120544 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 509 | 13 | 2 | 7 | 5.0 | CCCc1c(OCCCOc2ccc(-c3c[nH]nn3)c(OC)c2CCC)ccc2c1OC(C(=O)O)CC2 | 10.1021/jm00006a002 | |||
| CHEMBL354553 | 120544 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 509 | 13 | 2 | 7 | 5.0 | CCCc1c(OCCCOc2ccc(-c3c[nH]nn3)c(OC)c2CCC)ccc2c1OC(C(=O)O)CC2 | 10.1021/jm00006a002 | |||
| 15237280 | 58101 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 511 | 13 | 2 | 6 | 4.6 | CCCc1c(OCCCOc2ccc(C(=O)NC)c(OC)c2CC2CC2)ccc2c1OC(C(=O)O)CC2 | 10.1016/S0960-894X(01)80853-2 | |||
| CHEMBL167474 | 58101 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 511 | 13 | 2 | 6 | 4.6 | CCCc1c(OCCCOc2ccc(C(=O)NC)c(OC)c2CC2CC2)ccc2c1OC(C(=O)O)CC2 | 10.1016/S0960-894X(01)80853-2 | |||
| 3368 | 1173 | 26 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 428 | 5 | 2 | 3 | 5.5 | OC(=O)C1(CCCC1)c1ccc2c(c1)OC[C@@H]([C@H]2O)Cc1ccc(cc1)c1ccccc1 | 10.1021/jm00046a001 | |||
| 9867257 | 1173 | 26 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 428 | 5 | 2 | 3 | 5.5 | OC(=O)C1(CCCC1)c1ccc2c(c1)OC[C@@H]([C@H]2O)Cc1ccc(cc1)c1ccccc1 | 10.1021/jm00046a001 | |||
| CHEMBL51770 | 1173 | 26 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 428 | 5 | 2 | 3 | 5.5 | OC(=O)C1(CCCC1)c1ccc2c(c1)OC[C@@H]([C@H]2O)Cc1ccc(cc1)c1ccccc1 | 10.1021/jm00046a001 | |||
| 135543742 | 205388 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 410 | 11 | 3 | 5 | 4.2 | CCc1cc(-c2cc[nH]n2)c(O)cc1OCCCOc1cccc(CCC(=O)O)c1 | 10.1021/jm00041a021 | |||
| CHEMBL79991 | 205388 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 410 | 11 | 3 | 5 | 4.2 | CCc1cc(-c2cc[nH]n2)c(O)cc1OCCCOc1cccc(CCC(=O)O)c1 | 10.1021/jm00041a021 | |||
| 44348541 | 16820 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 323 | 7 | 1 | 2 | 3.0 | CN(CCc1ccccc1)C(=O)Cc1cccc(/C=C/C(=O)O)c1 | 10.1021/jm9506985 | |||
| CHEMBL124717 | 16820 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 323 | 7 | 1 | 2 | 3.0 | CN(CCc1ccccc1)C(=O)Cc1cccc(/C=C/C(=O)O)c1 | 10.1021/jm9506985 | |||
| 44357534 | 26740 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 385 | 9 | 0 | 6 | 4.7 | c1ccc(-c2cc(OCCCCCn3cnnn3)nc(-c3ccccc3)c2)cc1 | 10.1021/jm00101a008 | |||
| CHEMBL136243 | 26740 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 385 | 9 | 0 | 6 | 4.7 | c1ccc(-c2cc(OCCCCCn3cnnn3)nc(-c3ccccc3)c2)cc1 | 10.1021/jm00101a008 | |||
| 10341135 | 29388 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 403 | 10 | 1 | 3 | 6.5 | CC(C)(CCCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1)C(=O)O | 10.1021/jm00101a008 | |||
| CHEMBL138380 | 29388 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 403 | 10 | 1 | 3 | 6.5 | CC(C)(CCCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1)C(=O)O | 10.1021/jm00101a008 | |||
| 10427789 | 27940 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 347 | 8 | 1 | 3 | 5.0 | O=C(O)CCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1 | 10.1021/jm00101a008 | |||
| CHEMBL137201 | 27940 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 347 | 8 | 1 | 3 | 5.0 | O=C(O)CCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1 | 10.1021/jm00101a008 | |||
| 10363959 | 28513 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 406 | 10 | 1 | 5 | 5.3 | O=C(O)CCCCCOc1cc(-c2ccc([N+](=O)[O-])cc2)cc(-c2ccccc2)n1 | 10.1021/jm00101a008 | |||
| CHEMBL137594 | 28513 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 406 | 10 | 1 | 5 | 5.3 | O=C(O)CCCCCOc1cc(-c2ccc([N+](=O)[O-])cc2)cc(-c2ccccc2)n1 | 10.1021/jm00101a008 | |||
| 10387480 | 28012 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 421 | 8 | 1 | 5 | 5.6 | CC(C)(CCCCOc1cc(-c2ccc(Cl)cc2)c2ccccc2n1)c1nnn[nH]1 | 10.1021/jm00101a007 | |||
| CHEMBL137248 | 28012 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 421 | 8 | 1 | 5 | 5.6 | CC(C)(CCCCOc1cc(-c2ccc(Cl)cc2)c2ccccc2n1)c1nnn[nH]1 | 10.1021/jm00101a007 | |||
| 11725988 | 27986 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 359 | 8 | 1 | 5 | 4.2 | c1ccc(-c2cc(OCCCCCc3nnn[nH]3)nc3ccccc23)cc1 | 10.1021/jm00101a007 | |||
| CHEMBL137234 | 27986 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 359 | 8 | 1 | 5 | 4.2 | c1ccc(-c2cc(OCCCCCc3nnn[nH]3)nc3ccccc23)cc1 | 10.1021/jm00101a007 | |||
| 10340408 | 118565 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 391 | 10 | 1 | 4 | 5.4 | COc1cccc(-c2cc(-c3ccccc3)cc(OCCCCCC(=O)O)n2)c1 | 10.1021/jm00101a008 | |||
| CHEMBL341565 | 118565 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 391 | 10 | 1 | 4 | 5.4 | COc1cccc(-c2cc(-c3ccccc3)cc(OCCCCCC(=O)O)n2)c1 | 10.1021/jm00101a008 | |||
| 18373300 | 119325 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 492 | 8 | 1 | 5 | 6.5 | COc1cc(C(=O)O)ccc1Cc1cn(C(c2ccccc2)c2ccccc2)c2ccc([N+](=O)[O-])cc12 | 10.1016/j.bmcl.2003.08.070 | |||
| CHEMBL344176 | 119325 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 492 | 8 | 1 | 5 | 6.5 | COc1cc(C(=O)O)ccc1Cc1cn(C(c2ccccc2)c2ccccc2)c2ccc([N+](=O)[O-])cc12 | 10.1016/j.bmcl.2003.08.070 | |||
| 15666581 | 5648 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 346 | 11 | 2 | 3 | 5.2 | O=C(O)CCCCCCc1csc(CCCc2ccc(O)cc2)c1 | 10.1021/jm00095a011 | |||
| CHEMBL107781 | 5648 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 346 | 11 | 2 | 3 | 5.2 | O=C(O)CCCCCCc1csc(CCCc2ccc(O)cc2)c1 | 10.1021/jm00095a011 | |||
| 10391552 | 120322 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 508 | 13 | 2 | 6 | 5.6 | CCCc1c(OCCCOc2ccc(-c3c[nH]cn3)c(OC)c2CCC)ccc2c1OC(C(=O)O)CC2 | 10.1021/jm00006a002 | |||
| CHEMBL352863 | 120322 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 508 | 13 | 2 | 6 | 5.6 | CCCc1c(OCCCOc2ccc(-c3c[nH]cn3)c(OC)c2CCC)ccc2c1OC(C(=O)O)CC2 | 10.1021/jm00006a002 | |||
| 135507183 | 205642 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 396 | 10 | 3 | 5 | 3.8 | CCc1cc(-c2ccn[nH]2)c(O)cc1OCCCOc1ccc(CC(=O)O)cc1 | 10.1021/jm00041a021 | |||
| CHEMBL81817 | 205642 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 396 | 10 | 3 | 5 | 3.8 | CCc1cc(-c2ccn[nH]2)c(O)cc1OCCCOc1ccc(CC(=O)O)cc1 | 10.1021/jm00041a021 | |||
| 44403823 | 161945 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 3125 | 109 | 25 | 54 | -4.2 | CC(C)(CCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1)c1nnnn1CCCCC(=O)NCCCOCCOCCOCCCNC(=O)[C@H](CS(=O)(=O)O)NC(=O)[C@H](CS(=O)(=O)O)NC(=O)[C@H](CS(=O)(=O)O)NC(=O)[C@H](CS(=O)(=O)O)NC(=O)CC[C@H](NC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)C(=O)N[C@@H](CS(=O)(=O)O)C(=O)N[C@@H](CS(=O)(=O)O)C(=O)N[C@@H](CS(=O)(=O)O)C(=O)N[C@@H](CS(=O)(=O)O)C(=O)NCCCOCCOCCOCCCNC(=O)CCCCn1nnnc1C(C)(C)CCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1 | 10.1021/jm050383h | |||
| CHEMBL415548 | 161945 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 3125 | 109 | 25 | 54 | -4.2 | CC(C)(CCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1)c1nnnn1CCCCC(=O)NCCCOCCOCCOCCCNC(=O)[C@H](CS(=O)(=O)O)NC(=O)[C@H](CS(=O)(=O)O)NC(=O)[C@H](CS(=O)(=O)O)NC(=O)[C@H](CS(=O)(=O)O)NC(=O)CC[C@H](NC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)C(=O)N[C@@H](CS(=O)(=O)O)C(=O)N[C@@H](CS(=O)(=O)O)C(=O)N[C@@H](CS(=O)(=O)O)C(=O)N[C@@H](CS(=O)(=O)O)C(=O)NCCCOCCOCCOCCCNC(=O)CCCCn1nnnc1C(C)(C)CCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1 | 10.1021/jm050383h | |||
| 135507225 | 104221 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 424 | 12 | 3 | 5 | 4.6 | CCc1cc(-c2cc[nH]n2)c(O)cc1OCCCCCOc1ccc(CC(=O)O)cc1 | 10.1021/jm00041a021 | |||
| CHEMBL309883 | 104221 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 424 | 12 | 3 | 5 | 4.6 | CCc1cc(-c2cc[nH]n2)c(O)cc1OCCCCCOc1ccc(CC(=O)O)cc1 | 10.1021/jm00041a021 | |||
| 10247237 | 28487 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 349 | 8 | 1 | 3 | 5.2 | CC(CCCCOc1cc(-c2ccccc2)c2ccccc2n1)C(=O)O | 10.1021/jm00101a007 | |||
| CHEMBL137570 | 28487 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 349 | 8 | 1 | 3 | 5.2 | CC(CCCCOc1cc(-c2ccccc2)c2ccccc2n1)C(=O)O | 10.1021/jm00101a007 | |||
| 10032156 | 59017 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 647 | 16 | 1 | 8 | 8.6 | CCCc1c(OCCCOc2ccc(-c3csc(SCc4ccccc4)n3)c(OC)c2CCC)ccc2c1OC(C(=O)O)CC2 | 10.1021/jm00006a002 | |||
| CHEMBL169246 | 59017 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 647 | 16 | 1 | 8 | 8.6 | CCCc1c(OCCCOc2ccc(-c3csc(SCc4ccccc4)n3)c(OC)c2CCC)ccc2c1OC(C(=O)O)CC2 | 10.1021/jm00006a002 | |||
| 9906324 | 14619 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 348 | 10 | 2 | 6 | 3.4 | CCc1cc(OC)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/S0960-894X(00)80453-9 | |||
| CHEMBL1205046 | 14619 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 348 | 10 | 2 | 6 | 3.4 | CCc1cc(OC)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/S0960-894X(00)80453-9 | |||
| CHEMBL46820 | 14619 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 348 | 10 | 2 | 6 | 3.4 | CCc1cc(OC)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/S0960-894X(00)80453-9 | |||
| 9906324 | 14619 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 348 | 10 | 2 | 6 | 3.4 | CCc1cc(OC)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/S0960-894X(00)80454-0 | |||
| CHEMBL1205046 | 14619 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 348 | 10 | 2 | 6 | 3.4 | CCc1cc(OC)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/S0960-894X(00)80454-0 | |||
| CHEMBL46820 | 14619 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 348 | 10 | 2 | 6 | 3.4 | CCc1cc(OC)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/S0960-894X(00)80454-0 | |||
| 9865985 | 28673 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 405 | 9 | 1 | 5 | 5.2 | O=C(O)CCCCCOc1cc(-c2ccc3c(c2)OCO3)cc(-c2ccccc2)n1 | 10.1021/jm00101a008 | |||
| CHEMBL137759 | 28673 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 405 | 9 | 1 | 5 | 5.2 | O=C(O)CCCCCOc1cc(-c2ccc3c(c2)OCO3)cc(-c2ccccc2)n1 | 10.1021/jm00101a008 | |||
| 9978895 | 118976 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 409 | 9 | 1 | 3 | 6.3 | CC(CCCCOc1cc(-c2ccccc2)cc(-c2ccccc2Cl)n1)C(=O)O | 10.1021/jm00101a008 | |||
| CHEMBL342416 | 118976 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 409 | 9 | 1 | 3 | 6.3 | CC(CCCCOc1cc(-c2ccccc2)cc(-c2ccccc2Cl)n1)C(=O)O | 10.1021/jm00101a008 | |||
| 6450158 | 187174 | 20 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 516 | 12 | 2 | 6 | 5.9 | COc1ccc(/C=C/CCCCOc2ccc3c(=O)c4cc(C(=O)O)ccc4oc3c2CCC(=O)O)cc1 | 10.1016/S0960-894X(01)80999-9 | |||
| CHEMBL49210 | 187174 | 20 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 516 | 12 | 2 | 6 | 5.9 | COc1ccc(/C=C/CCCCOc2ccc3c(=O)c4cc(C(=O)O)ccc4oc3c2CCC(=O)O)cc1 | 10.1016/S0960-894X(01)80999-9 | |||
| 6450158 | 187174 | 20 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 516 | 12 | 2 | 6 | 5.9 | COc1ccc(/C=C/CCCCOc2ccc3c(=O)c4cc(C(=O)O)ccc4oc3c2CCC(=O)O)cc1 | 10.1021/jm00064a006 | |||
| CHEMBL49210 | 187174 | 20 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 516 | 12 | 2 | 6 | 5.9 | COc1ccc(/C=C/CCCCOc2ccc3c(=O)c4cc(C(=O)O)ccc4oc3c2CCC(=O)O)cc1 | 10.1021/jm00064a006 | |||
| 135516891 | 157516 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 384 | 10 | 3 | 6 | 3.8 | CCc1cc(-c2cc[nH]n2)c(O)cc1OCCCCCC(C)(C)c1nnn[nH]1 | 10.1021/jm00041a021 | |||
| CHEMBL407983 | 157516 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 384 | 10 | 3 | 6 | 3.8 | CCc1cc(-c2cc[nH]n2)c(O)cc1OCCCCCC(C)(C)c1nnn[nH]1 | 10.1021/jm00041a021 | |||
| 18963040 | 14868 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 404 | 14 | 2 | 6 | 5.0 | CCCCCOc1cc(CC)c(OCCCCCC(C)(C)c2nn[nH]n2)cc1O | 10.1016/S0960-894X(00)80453-9 | |||
| CHEMBL1207571 | 14868 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 404 | 14 | 2 | 6 | 5.0 | CCCCCOc1cc(CC)c(OCCCCCC(C)(C)c2nn[nH]n2)cc1O | 10.1016/S0960-894X(00)80453-9 | |||
| CHEMBL416259 | 14868 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 404 | 14 | 2 | 6 | 5.0 | CCCCCOc1cc(CC)c(OCCCCCC(C)(C)c2nn[nH]n2)cc1O | 10.1016/S0960-894X(00)80453-9 | |||
| 10364772 | 28160 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 419 | 9 | 1 | 5 | 5.4 | CC(CCCCOc1cc(-c2ccc3c(c2)OCO3)cc(-c2ccccc2)n1)C(=O)O | 10.1021/jm00101a008 | |||
| CHEMBL137341 | 28160 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 419 | 9 | 1 | 5 | 5.4 | CC(CCCCOc1cc(-c2ccc3c(c2)OCO3)cc(-c2ccccc2)n1)C(=O)O | 10.1021/jm00101a008 | |||
| 10092630 | 27821 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 404 | 9 | 2 | 4 | 5.7 | CC(C)(CCCCOc1cc(-c2ccc(N)cc2)cc(-c2ccccc2)n1)C(=O)O | 10.1021/jm00101a008 | |||
| CHEMBL137104 | 27821 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 404 | 9 | 2 | 4 | 5.7 | CC(C)(CCCCOc1cc(-c2ccc(N)cc2)cc(-c2ccccc2)n1)C(=O)O | 10.1021/jm00101a008 | |||
| 132425 | 6865 | 5 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 358 | 11 | 1 | 2 | 6.1 | CC(C)(CCCCCc1sccc1CCCc1ccccc1)C(=O)O | 10.1021/jm00095a011 | |||
| CHEMBL108415 | 6865 | 5 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 358 | 11 | 1 | 2 | 6.1 | CC(C)(CCCCCc1sccc1CCCc1ccccc1)C(=O)O | 10.1021/jm00095a011 | |||
| 11799000 | 17168 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 482 | 9 | 1 | 4 | 5.1 | CN(O)C(=O)c1cc(CC(=O)N(C)CCc2ccccc2)c2cccc(OCc3ccccc3)c2c1 | 10.1021/jm950699x | |||
| CHEMBL125611 | 17168 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 482 | 9 | 1 | 4 | 5.1 | CN(O)C(=O)c1cc(CC(=O)N(C)CCc2ccccc2)c2cccc(OCc3ccccc3)c2c1 | 10.1021/jm950699x | |||
| 10319829 | 26118 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 417 | 11 | 1 | 3 | 6.9 | CC(C)(CCCCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1)C(=O)O | 10.1021/jm00101a008 | |||
| CHEMBL135612 | 26118 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 417 | 11 | 1 | 3 | 6.9 | CC(C)(CCCCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1)C(=O)O | 10.1021/jm00101a008 | |||
| 10363959 | 28513 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 406 | 10 | 1 | 5 | 5.3 | O=C(O)CCCCCOc1cc(-c2ccc([N+](=O)[O-])cc2)cc(-c2ccccc2)n1 | 10.1021/jm00101a008 | |||
| CHEMBL137594 | 28513 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 406 | 10 | 1 | 5 | 5.3 | O=C(O)CCCCCOc1cc(-c2ccc([N+](=O)[O-])cc2)cc(-c2ccccc2)n1 | 10.1021/jm00101a008 | |||
| 15666631 | 8087 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 346 | 11 | 2 | 3 | 5.0 | O=C(O)CCCCCC(O)c1sccc1CCCc1ccccc1 | 10.1021/jm00095a011 | |||
| CHEMBL109128 | 8087 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 346 | 11 | 2 | 3 | 5.0 | O=C(O)CCCCCC(O)c1sccc1CCCc1ccccc1 | 10.1021/jm00095a011 | |||
| 44379572 | 120300 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 540 | 10 | 2 | 4 | 5.3 | CN(C)C(=O)CC1(O)CCCC(/C=C/C(O)CCCCc2ccc(N=[N+]=[N-])c(I)c2)C1 | 10.1016/s0960-894x(00)00103-7 | |||
| CHEMBL352717 | 120300 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 540 | 10 | 2 | 4 | 5.3 | CN(C)C(=O)CC1(O)CCCC(/C=C/C(O)CCCCc2ccc(N=[N+]=[N-])c(I)c2)C1 | 10.1016/s0960-894x(00)00103-7 | |||
| 9849151 | 59096 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 508 | 13 | 2 | 6 | 5.6 | CCCc1c(OCCCOc2ccc(-c3cc[nH]n3)c(OC)c2CCC)ccc2c1OC(C(=O)O)CC2 | 10.1021/jm00006a002 | |||
| CHEMBL169683 | 59096 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 508 | 13 | 2 | 6 | 5.6 | CCCc1c(OCCCOc2ccc(-c3cc[nH]n3)c(OC)c2CCC)ccc2c1OC(C(=O)O)CC2 | 10.1021/jm00006a002 | |||
| 15839731 | 49451 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 430 | 13 | 2 | 6 | 4.4 | CCCc1c(OCCCOc2cc(O)c(C(C)=O)cc2CC)cccc1OCC(=O)O | 10.1016/S0960-894X(00)80304-2 | |||
| CHEMBL15648 | 49451 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 430 | 13 | 2 | 6 | 4.4 | CCCc1c(OCCCOc2cc(O)c(C(C)=O)cc2CC)cccc1OCC(=O)O | 10.1016/S0960-894X(00)80304-2 | |||
| 10339300 | 130225 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 373 | 6 | 2 | 3 | 4.7 | COc1ccc(C(=O)O)cc1NC(=O)/C=C/c1ccc(-c2ccccc2)cc1 | 10.1016/S0960-894X(97)00134-0 | |||
| CHEMBL367943 | 130225 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 373 | 6 | 2 | 3 | 4.7 | COc1ccc(C(=O)O)cc1NC(=O)/C=C/c1ccc(-c2ccccc2)cc1 | 10.1016/S0960-894X(97)00134-0 | |||
| 10341242 | 28153 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 405 | 10 | 1 | 4 | 5.7 | COc1cccc(-c2cc(OCCCCC(C)C(=O)O)nc(-c3ccccc3)c2)c1 | 10.1021/jm00101a008 | |||
| CHEMBL137336 | 28153 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 405 | 10 | 1 | 4 | 5.7 | COc1cccc(-c2cc(OCCCCC(C)C(=O)O)nc(-c3ccccc3)c2)c1 | 10.1021/jm00101a008 | |||
| 10477988 | 28143 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 433 | 9 | 1 | 5 | 5.8 | CC(C)(CCCCOc1cc(-c2ccc3c(c2)OCO3)cc(-c2ccccc2)n1)C(=O)O | 10.1021/jm00101a008 | |||
| CHEMBL137330 | 28143 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 433 | 9 | 1 | 5 | 5.8 | CC(C)(CCCCOc1cc(-c2ccc3c(c2)OCO3)cc(-c2ccccc2)n1)C(=O)O | 10.1021/jm00101a008 | |||
| 44357546 | 116753 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 399 | 9 | 0 | 6 | 5.2 | CC(CCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1)n1cnnn1 | 10.1021/jm00101a008 | |||
| CHEMBL337563 | 116753 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 399 | 9 | 0 | 6 | 5.2 | CC(CCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1)n1cnnn1 | 10.1021/jm00101a008 | |||
| 9911868 | 18034 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 455 | 11 | 1 | 7 | 4.9 | COc1cc(C(=O)N(C(C)C)C(C)C)ccc1OCCCCOc1ccc2c(N)noc2c1 | 10.1016/S0960-894X(97)00025-5 | |||
| CHEMBL126463 | 18034 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 455 | 11 | 1 | 7 | 4.9 | COc1cc(C(=O)N(C(C)C)C(C)C)ccc1OCCCCOc1ccc2c(N)noc2c1 | 10.1016/S0960-894X(97)00025-5 | |||
| 15666586 | 108567 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 344 | 11 | 1 | 2 | 5.8 | Cc1cc(CCCCCCC(=O)O)c(CCCc2ccccc2)s1 | 10.1021/jm00095a011 | |||
| CHEMBL320258 | 108567 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 344 | 11 | 1 | 2 | 5.8 | Cc1cc(CCCCCCC(=O)O)c(CCCc2ccccc2)s1 | 10.1021/jm00095a011 | |||
| 44379573 | 58100 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 414 | 10 | 2 | 4 | 4.7 | CN(C)C(=O)CC1(O)CCCC(/C=C/C(O)CCCCc2ccc(N=[N+]=[N-])cc2)C1 | 10.1016/s0960-894x(00)00103-7 | |||
| CHEMBL167465 | 58100 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 414 | 10 | 2 | 4 | 4.7 | CN(C)C(=O)CC1(O)CCCC(/C=C/C(O)CCCCc2ccc(N=[N+]=[N-])cc2)C1 | 10.1016/s0960-894x(00)00103-7 | |||
| 10019853 | 28536 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 335 | 8 | 1 | 3 | 4.9 | O=C(O)CCCCCOc1cc(-c2ccccc2)c2ccccc2n1 | 10.1021/jm00101a007 | |||
| CHEMBL137625 | 28536 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 335 | 8 | 1 | 3 | 4.9 | O=C(O)CCCCCOc1cc(-c2ccccc2)c2ccccc2n1 | 10.1021/jm00101a007 | |||
| 10337448 | 28107 | 1 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 342 | 8 | 0 | 3 | 5.9 | N#CCCCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1 | 10.1021/jm00101a008 | |||
| CHEMBL137307 | 28107 | 1 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 342 | 8 | 0 | 3 | 5.9 | N#CCCCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1 | 10.1021/jm00101a008 | |||
| 9841175 | 14649 | 0 | None | - | 0 | Human | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | 346 | 9 | 3 | 3 | 3.7 | O=C(O)C[C@]1(O)CCC[C@H](/C=C/C(O)CCCCc2ccccc2)C1 | 10.1016/0960-894X(96)00424-6 | |||
| CHEMBL1205297 | 14649 | 0 | None | - | 0 | Human | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | 346 | 9 | 3 | 3 | 3.7 | O=C(O)C[C@]1(O)CCC[C@H](/C=C/C(O)CCCCc2ccccc2)C1 | 10.1016/0960-894X(96)00424-6 | |||
| CHEMBL77513 | 14649 | 0 | None | - | 0 | Human | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | 346 | 9 | 3 | 3 | 3.7 | O=C(O)C[C@]1(O)CCC[C@H](/C=C/C(O)CCCCc2ccccc2)C1 | 10.1016/0960-894X(96)00424-6 | |||
| 44315539 | 14797 | 0 | None | - | 0 | Human | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | 312 | 10 | 3 | 3 | 3.7 | CCCCCC(O)/C=C/[C@H]1CCC[C@@](O)(CCCC(=O)O)C1 | 10.1016/0960-894X(96)00424-6 | |||
| CHEMBL1206776 | 14797 | 0 | None | - | 0 | Human | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | 312 | 10 | 3 | 3 | 3.7 | CCCCCC(O)/C=C/[C@H]1CCC[C@@](O)(CCCC(=O)O)C1 | 10.1016/0960-894X(96)00424-6 | |||
| CHEMBL305933 | 14797 | 0 | None | - | 0 | Human | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | 312 | 10 | 3 | 3 | 3.7 | CCCCCC(O)/C=C/[C@H]1CCC[C@@](O)(CCCC(=O)O)C1 | 10.1016/0960-894X(96)00424-6 | |||
| 135430350 | 168054 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 452 | 13 | 3 | 5 | 5.2 | CCCc1ccc(CCC(=O)O)cc1OCCCOc1cc(O)c(-c2cc[nH]n2)cc1CC | 10.1021/jm00041a021 | |||
| CHEMBL432363 | 168054 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 452 | 13 | 3 | 5 | 5.2 | CCCc1ccc(CCC(=O)O)cc1OCCCOc1cc(O)c(-c2cc[nH]n2)cc1CC | 10.1021/jm00041a021 | |||
| 10021742 | 9456 | 6 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 365 | 4 | 1 | 7 | 2.6 | Cn1c(N)nc(Cc2ccc3c(c2)OCO3)c1Cc1ccc2c(c1)OCO2 | 10.1021/np50100a005 | |||
| CHEMBL111825 | 9456 | 6 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 365 | 4 | 1 | 7 | 2.6 | Cn1c(N)nc(Cc2ccc3c(c2)OCO3)c1Cc1ccc2c(c1)OCO2 | 10.1021/np50100a005 | |||
| 10349070 | 130888 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 630 | 16 | 2 | 7 | 7.9 | CCCc1c(OCCCOc2ccc(-c3c[nH]c(SCc4ccccc4)n3)c(OC)c2CCC)ccc2c1OC(C(=O)O)CC2 | 10.1021/jm00006a002 | |||
| CHEMBL368540 | 130888 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 630 | 16 | 2 | 7 | 7.9 | CCCc1c(OCCCOc2ccc(-c3c[nH]c(SCc4ccccc4)n3)c(OC)c2CCC)ccc2c1OC(C(=O)O)CC2 | 10.1021/jm00006a002 | |||
| 10481412 | 59785 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 509 | 13 | 1 | 7 | 5.9 | CCCc1c(OCCCOc2ccc(-c3ccno3)c(OC)c2CCC)ccc2c1OC(C(=O)O)CC2 | 10.1021/jm00006a002 | |||
| CHEMBL172628 | 59785 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 509 | 13 | 1 | 7 | 5.9 | CCCc1c(OCCCOc2ccc(-c3ccno3)c(OC)c2CCC)ccc2c1OC(C(=O)O)CC2 | 10.1021/jm00006a002 | |||
| 44384957 | 166238 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 389 | 7 | 2 | 4 | 4.3 | COc1ccc(C(=O)O)cc1NC(=O)CC(=O)c1ccc(-c2ccccc2)cc1 | 10.1016/S0960-894X(97)00134-0 | |||
| CHEMBL426773 | 166238 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 389 | 7 | 2 | 4 | 4.3 | COc1ccc(C(=O)O)cc1NC(=O)CC(=O)c1ccc(-c2ccccc2)cc1 | 10.1016/S0960-894X(97)00134-0 | |||
| 44403368 | 161327 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 2750 | 92 | 21 | 47 | -1.6 | CC(C)(CCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1)c1nnnn1CCCCC(=O)NCCCOCCOCCOCCCNC(=O)[C@H](CS(=O)(=O)O)NC(=O)[C@H](CS(=O)(=O)O)NC(=O)[C@H](CS(=O)(=O)O)NC(=O)[C@H](CS(=O)(=O)O)NC(=O)CC[C@H](N)C(=O)N[C@@H](CS(=O)(=O)O)C(=O)N[C@@H](CS(=O)(=O)O)C(=O)N[C@@H](CS(=O)(=O)O)C(=O)N[C@@H](CS(=O)(=O)O)C(=O)NCCCOCCOCCOCCCNC(=O)CCCCn1nnnc1C(C)(C)CCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1 | 10.1021/jm050383h | |||
| CHEMBL412510 | 161327 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 2750 | 92 | 21 | 47 | -1.6 | CC(C)(CCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1)c1nnnn1CCCCC(=O)NCCCOCCOCCOCCCNC(=O)[C@H](CS(=O)(=O)O)NC(=O)[C@H](CS(=O)(=O)O)NC(=O)[C@H](CS(=O)(=O)O)NC(=O)[C@H](CS(=O)(=O)O)NC(=O)CC[C@H](N)C(=O)N[C@@H](CS(=O)(=O)O)C(=O)N[C@@H](CS(=O)(=O)O)C(=O)N[C@@H](CS(=O)(=O)O)C(=O)N[C@@H](CS(=O)(=O)O)C(=O)NCCCOCCOCCOCCCNC(=O)CCCCn1nnnc1C(C)(C)CCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1 | 10.1021/jm050383h | |||
| 3368 | 1173 | 26 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 428 | 5 | 2 | 3 | 5.5 | OC(=O)C1(CCCC1)c1ccc2c(c1)OC[C@@H]([C@H]2O)Cc1ccc(cc1)c1ccccc1 | 10.1021/jm960088k | |||
| 9867257 | 1173 | 26 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 428 | 5 | 2 | 3 | 5.5 | OC(=O)C1(CCCC1)c1ccc2c(c1)OC[C@@H]([C@H]2O)Cc1ccc(cc1)c1ccccc1 | 10.1021/jm960088k | |||
| CHEMBL51770 | 1173 | 26 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 428 | 5 | 2 | 3 | 5.5 | OC(=O)C1(CCCC1)c1ccc2c(c1)OC[C@@H]([C@H]2O)Cc1ccc(cc1)c1ccccc1 | 10.1021/jm960088k | |||
| 9958915 | 58123 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 539 | 15 | 2 | 6 | 5.4 | CCCc1c(OCCCOc2ccc(C(=O)NC)c(OC)c2CC2CC2)ccc2c1O[C@@H](CCC(=O)O)CC2 | 10.1016/S0960-894X(01)80853-2 | |||
| CHEMBL167669 | 58123 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 539 | 15 | 2 | 6 | 5.4 | CCCc1c(OCCCOc2ccc(C(=O)NC)c(OC)c2CC2CC2)ccc2c1O[C@@H](CCC(=O)O)CC2 | 10.1016/S0960-894X(01)80853-2 | |||
| 10741106 | 117802 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 426 | 9 | 0 | 4 | 4.7 | CN(CCc1ccccc1)C(=O)Cn1cc(C=O)c2cc(OCc3ccccc3)ccc21 | 10.1021/jm950699x | |||
| CHEMBL340180 | 117802 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 426 | 9 | 0 | 4 | 4.7 | CN(CCc1ccccc1)C(=O)Cn1cc(C=O)c2cc(OCc3ccccc3)ccc21 | 10.1021/jm950699x | |||
| 15666623 | 167796 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 434 | 12 | 1 | 2 | 7.8 | CC(C)(CCCCCc1sc(-c2ccccc2)cc1CCCc1ccccc1)C(=O)O | 10.1021/jm00095a011 | |||
| CHEMBL430520 | 167796 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 434 | 12 | 1 | 2 | 7.8 | CC(C)(CCCCCc1sc(-c2ccccc2)cc1CCCc1ccccc1)C(=O)O | 10.1021/jm00095a011 | |||
| 9841175 | 14649 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 346 | 9 | 3 | 3 | 3.7 | O=C(O)C[C@]1(O)CCC[C@H](/C=C/C(O)CCCCc2ccccc2)C1 | 10.1016/0960-894X(96)00424-6 | |||
| CHEMBL1205297 | 14649 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 346 | 9 | 3 | 3 | 3.7 | O=C(O)C[C@]1(O)CCC[C@H](/C=C/C(O)CCCCc2ccccc2)C1 | 10.1016/0960-894X(96)00424-6 | |||
| CHEMBL77513 | 14649 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 346 | 9 | 3 | 3 | 3.7 | O=C(O)C[C@]1(O)CCC[C@H](/C=C/C(O)CCCCc2ccccc2)C1 | 10.1016/0960-894X(96)00424-6 | |||
| 11740566 | 119447 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 381 | 8 | 1 | 3 | 5.7 | CC(C)(CCCCOc1cc(-c2ccccc2F)c2ccccc2n1)C(=O)O | 10.1021/jm00101a007 | |||
| CHEMBL345047 | 119447 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 381 | 8 | 1 | 3 | 5.7 | CC(C)(CCCCOc1cc(-c2ccccc2F)c2ccccc2n1)C(=O)O | 10.1021/jm00101a007 | |||
| 9934500 | 165601 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 472 | 7 | 1 | 4 | 6.4 | COc1cc(C(=O)O)ccc1Cc1cn(C(c2ccccc2)c2ccccc2)c2ccc(C#N)cc12 | 10.1016/j.bmcl.2003.08.070 | |||
| CHEMBL424290 | 165601 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 472 | 7 | 1 | 4 | 6.4 | COc1cc(C(=O)O)ccc1Cc1cn(C(c2ccccc2)c2ccccc2)c2ccc(C#N)cc12 | 10.1016/j.bmcl.2003.08.070 | |||
| 44315583 | 14648 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 284 | 8 | 3 | 3 | 2.9 | CCCCCC(O)/C=C/[C@H]1CCC[C@@](O)(CC(=O)O)C1 | 10.1016/0960-894X(96)00424-6 | |||
| CHEMBL1205289 | 14648 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 284 | 8 | 3 | 3 | 2.9 | CCCCCC(O)/C=C/[C@H]1CCC[C@@](O)(CC(=O)O)C1 | 10.1016/0960-894X(96)00424-6 | |||
| CHEMBL76530 | 14648 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 284 | 8 | 3 | 3 | 2.9 | CCCCCC(O)/C=C/[C@H]1CCC[C@@](O)(CC(=O)O)C1 | 10.1016/0960-894X(96)00424-6 | |||
| 9976891 | 28167 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 377 | 8 | 1 | 3 | 5.9 | Cc1c(OCCCCC(C)(C)C(=O)O)nc2ccccc2c1-c1ccccc1 | 10.1021/jm00101a007 | |||
| CHEMBL137346 | 28167 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 377 | 8 | 1 | 3 | 5.9 | Cc1c(OCCCCC(C)(C)C(=O)O)nc2ccccc2c1-c1ccccc1 | 10.1021/jm00101a007 | |||
| 135543741 | 205596 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 410 | 11 | 3 | 5 | 4.7 | CCc1cc(-c2cc[nH]n2)c(O)cc1OCCCCCOc1ccc(C(=O)O)cc1 | 10.1021/jm00041a021 | |||
| CHEMBL81489 | 205596 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 410 | 11 | 3 | 5 | 4.7 | CCc1cc(-c2cc[nH]n2)c(O)cc1OCCCCCOc1ccc(C(=O)O)cc1 | 10.1021/jm00041a021 | |||
| 44385920 | 61382 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 343 | 5 | 2 | 2 | 4.7 | O=C(/C=C/c1ccc(-c2ccccc2)cc1)Nc1ccccc1C(=O)O | 10.1016/S0960-894X(97)00134-0 | |||
| CHEMBL176974 | 61382 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 343 | 5 | 2 | 2 | 4.7 | O=C(/C=C/c1ccc(-c2ccccc2)cc1)Nc1ccccc1C(=O)O | 10.1016/S0960-894X(97)00134-0 | |||
| 15718085 | 101345 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 468 | 14 | 2 | 5 | 6.2 | CCCCCCCCCCOc1cc2oc3ccc(C(=O)O)cc3c(=O)c2cc1CCC(=O)O | 10.1021/jm00064a006 | |||
| CHEMBL296869 | 101345 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 468 | 14 | 2 | 5 | 6.2 | CCCCCCCCCCOc1cc2oc3ccc(C(=O)O)cc3c(=O)c2cc1CCC(=O)O | 10.1021/jm00064a006 | |||
| 135507273 | 205295 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 452 | 13 | 3 | 5 | 5.2 | CCCc1c(CCC(=O)O)cccc1OCCCOc1cc(O)c(-c2cc[nH]n2)cc1CC | 10.1021/jm00041a021 | |||
| CHEMBL79233 | 205295 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 452 | 13 | 3 | 5 | 5.2 | CCCc1c(CCC(=O)O)cccc1OCCCOc1cc(O)c(-c2cc[nH]n2)cc1CC | 10.1021/jm00041a021 | |||
| 122023 | 50795 | 60 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 360 | 10 | 2 | 6 | 3.6 | CCc1cc(C(C)=O)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/S0960-894X(01)80999-9 | |||
| CHEMBL15766 | 50795 | 60 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 360 | 10 | 2 | 6 | 3.6 | CCc1cc(C(C)=O)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/S0960-894X(01)80999-9 | |||
| CHEMBL45460 | 50795 | 60 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 360 | 10 | 2 | 6 | 3.6 | CCc1cc(C(C)=O)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/S0960-894X(01)80999-9 | |||
| 4534 | 191902 | 94 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 302 | 5 | 4 | 4 | 3.6 | CC(Cc1ccc(O)c(O)c1)C(C)Cc1ccc(O)c(O)c1 | 10.1021/jm00085a019 | |||
| CHEMBL52 | 191902 | 94 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 302 | 5 | 4 | 4 | 3.6 | CC(Cc1ccc(O)c(O)c1)C(C)Cc1ccc(O)c(O)c1 | 10.1021/jm00085a019 | |||
| 122023 | 50795 | 60 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 360 | 10 | 2 | 6 | 3.6 | CCc1cc(C(C)=O)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/S0960-894X(00)80453-9 | |||
| CHEMBL15766 | 50795 | 60 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 360 | 10 | 2 | 6 | 3.6 | CCc1cc(C(C)=O)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/S0960-894X(00)80453-9 | |||
| CHEMBL45460 | 50795 | 60 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 360 | 10 | 2 | 6 | 3.6 | CCc1cc(C(C)=O)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/S0960-894X(00)80453-9 | |||
| 122023 | 50795 | 60 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 360 | 10 | 2 | 6 | 3.6 | CCc1cc(C(C)=O)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/S0960-894X(00)80304-2 | |||
| CHEMBL15766 | 50795 | 60 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 360 | 10 | 2 | 6 | 3.6 | CCc1cc(C(C)=O)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/S0960-894X(00)80304-2 | |||
| CHEMBL45460 | 50795 | 60 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 360 | 10 | 2 | 6 | 3.6 | CCc1cc(C(C)=O)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/S0960-894X(00)80304-2 | |||
| 122023 | 50795 | 60 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 360 | 10 | 2 | 6 | 3.6 | CCc1cc(C(C)=O)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1021/jm00041a021 | |||
| CHEMBL15766 | 50795 | 60 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 360 | 10 | 2 | 6 | 3.6 | CCc1cc(C(C)=O)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1021/jm00041a021 | |||
| CHEMBL45460 | 50795 | 60 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 360 | 10 | 2 | 6 | 3.6 | CCc1cc(C(C)=O)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1021/jm00041a021 | |||
| 135500104 | 163773 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 410 | 11 | 3 | 5 | 4.2 | CCc1cc(-c2cc[nH]n2)c(O)cc1OCCCOc1ccc(CCC(=O)O)cc1 | 10.1021/jm00041a021 | |||
| CHEMBL420576 | 163773 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 410 | 11 | 3 | 5 | 4.2 | CCc1cc(-c2cc[nH]n2)c(O)cc1OCCCOc1ccc(CCC(=O)O)cc1 | 10.1021/jm00041a021 | |||
| 10347709 | 59102 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 557 | 13 | 2 | 8 | 6.6 | CCCc1c(OCCCOc2ccc(-c3csc(S)n3)c(OC)c2CCC)ccc2c1OC(C(=O)O)CC2 | 10.1021/jm00006a002 | |||
| CHEMBL169722 | 59102 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 557 | 13 | 2 | 8 | 6.6 | CCCc1c(OCCCOc2ccc(-c3csc(S)n3)c(OC)c2CCC)ccc2c1OC(C(=O)O)CC2 | 10.1021/jm00006a002 | |||
| 135457469 | 105640 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 398 | 10 | 2 | 7 | 3.8 | CCc1cc(-c2ccn(C)n2)c(O)cc1OCCCCCC(C)(C)c1nnn[nH]1 | 10.1021/jm00041a021 | |||
| CHEMBL312483 | 105640 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 398 | 10 | 2 | 7 | 3.8 | CCc1cc(-c2ccn(C)n2)c(O)cc1OCCCCCC(C)(C)c1nnn[nH]1 | 10.1021/jm00041a021 | |||
| 10092630 | 27821 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 404 | 9 | 2 | 4 | 5.7 | CC(C)(CCCCOc1cc(-c2ccc(N)cc2)cc(-c2ccccc2)n1)C(=O)O | 10.1021/jm00101a008 | |||
| CHEMBL137104 | 27821 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 404 | 9 | 2 | 4 | 5.7 | CC(C)(CCCCOc1cc(-c2ccc(N)cc2)cc(-c2ccccc2)n1)C(=O)O | 10.1021/jm00101a008 | |||
| 10737187 | 15519 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 359 | 8 | 0 | 2 | 4.5 | CN(CCc1ccccc1)C(=O)Cc1ccc(OCc2ccccc2)cc1 | 10.1021/jm9506985 | |||
| CHEMBL121748 | 15519 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 359 | 8 | 0 | 2 | 4.5 | CN(CCc1ccccc1)C(=O)Cc1ccc(OCc2ccccc2)cc1 | 10.1021/jm9506985 | |||
| 18373357 | 116793 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 461 | 7 | 1 | 3 | 6.9 | COc1cc(C(=O)O)ccc1Cc1cn(C(c2ccccc2)c2ccccc2)c2ccc(C)cc12 | 10.1016/j.bmcl.2003.08.070 | |||
| CHEMBL337790 | 116793 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 461 | 7 | 1 | 3 | 6.9 | COc1cc(C(=O)O)ccc1Cc1cn(C(c2ccccc2)c2ccccc2)c2ccc(C)cc12 | 10.1016/j.bmcl.2003.08.070 | |||
| 44386171 | 61374 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 377 | 5 | 2 | 2 | 5.4 | O=C(/C=C/c1ccc(-c2ccccc2)cc1)Nc1cc(C(=O)O)ccc1Cl | 10.1016/S0960-894X(97)00134-0 | |||
| CHEMBL176903 | 61374 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 377 | 5 | 2 | 2 | 5.4 | O=C(/C=C/c1ccc(-c2ccccc2)cc1)Nc1cc(C(=O)O)ccc1Cl | 10.1016/S0960-894X(97)00134-0 | |||
| 10052575 | 58954 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 525 | 13 | 1 | 7 | 6.4 | CCCc1c(OCCCOc2ccc(-c3cscn3)c(OC)c2CCC)ccc2c1OC(C(=O)O)CC2 | 10.1021/jm00006a002 | |||
| CHEMBL168944 | 58954 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 525 | 13 | 1 | 7 | 6.4 | CCCc1c(OCCCOc2ccc(-c3cscn3)c(OC)c2CCC)ccc2c1OC(C(=O)O)CC2 | 10.1021/jm00006a002 | |||
| 44385966 | 60426 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 387 | 6 | 2 | 3 | 4.8 | COc1ccc(C(=O)O)cc1NC(=O)[C@H]1C[C@@H]1c1ccc(-c2ccccc2)cc1 | 10.1016/S0960-894X(97)00134-0 | |||
| CHEMBL175128 | 60426 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 387 | 6 | 2 | 3 | 4.8 | COc1ccc(C(=O)O)cc1NC(=O)[C@H]1C[C@@H]1c1ccc(-c2ccccc2)cc1 | 10.1016/S0960-894X(97)00134-0 | |||
| 25114442 | 3061 | 56 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 409 | 6 | 1 | 4 | 3.6 | COc1ccc2c(c1)ccc(c2)OCC1(CN(C1)C(=O)c1ccc(cc1)F)C(=O)O | 10.6019/CHEMBL5212743 | |||
| 5817 | 3061 | 56 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 409 | 6 | 1 | 4 | 3.6 | COc1ccc2c(c1)ccc(c2)OCC1(CN(C1)C(=O)c1ccc(cc1)F)C(=O)O | 10.6019/CHEMBL5212743 | |||
| CHEMBL3286797 | 3061 | 56 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 409 | 6 | 1 | 4 | 3.6 | COc1ccc2c(c1)ccc(c2)OCC1(CN(C1)C(=O)c1ccc(cc1)F)C(=O)O | 10.6019/CHEMBL5212743 | |||
| DB12024 | 3061 | 56 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 409 | 6 | 1 | 4 | 3.6 | COc1ccc2c(c1)ccc(c2)OCC1(CN(C1)C(=O)c1ccc(cc1)F)C(=O)O | 10.6019/CHEMBL5212743 | |||
| 192617 | 100752 | 22 | None | - | 1 | Human | 10.4 | pKi | = | 10.4 | Binding | ChEMBL | 600 | 12 | 3 | 7 | 6.6 | CCc1cc(-c2ccc(F)cc2)c(O)cc1OCCCOc1ccc2c(=O)c3cc(C(=O)O)ccc3oc2c1CCC(=O)O | 10.1016/S0960-894X(01)80105-0 | |||
| CHEMBL292782 | 100752 | 22 | None | - | 1 | Human | 10.4 | pKi | = | 10.4 | Binding | ChEMBL | 600 | 12 | 3 | 7 | 6.6 | CCc1cc(-c2ccc(F)cc2)c(O)cc1OCCCOc1ccc2c(=O)c3cc(C(=O)O)ccc3oc2c1CCC(=O)O | 10.1016/S0960-894X(01)80105-0 | |||
| 192617 | 100752 | 22 | None | - | 1 | Human | 10.4 | pKi | = | 10.4 | Binding | ChEMBL | 600 | 12 | 3 | 7 | 6.6 | CCc1cc(-c2ccc(F)cc2)c(O)cc1OCCCOc1ccc2c(=O)c3cc(C(=O)O)ccc3oc2c1CCC(=O)O | 10.1021/jm00076a030 | |||
| CHEMBL292782 | 100752 | 22 | None | - | 1 | Human | 10.4 | pKi | = | 10.4 | Binding | ChEMBL | 600 | 12 | 3 | 7 | 6.6 | CCc1cc(-c2ccc(F)cc2)c(O)cc1OCCCOc1ccc2c(=O)c3cc(C(=O)O)ccc3oc2c1CCC(=O)O | 10.1021/jm00076a030 | |||
| 19600933 | 202800 | 0 | None | - | 1 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 534 | 13 | 3 | 5 | 5.8 | CCc1cc(-c2ccc(F)cc2)c(O)cc1OCCCOc1ccc(C#CCCC(=O)O)cc1CCC(=O)O | 10.1016/S0960-894X(01)80105-0 | |||
| CHEMBL62265 | 202800 | 0 | None | - | 1 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 534 | 13 | 3 | 5 | 5.8 | CCc1cc(-c2ccc(F)cc2)c(O)cc1OCCCOc1ccc(C#CCCC(=O)O)cc1CCC(=O)O | 10.1016/S0960-894X(01)80105-0 | |||
| 10745838 | 118062 | 0 | None | - | 1 | Human | 10.0 | pKi | = | 10.0 | Binding | ChEMBL | 582 | 12 | 3 | 7 | 6.4 | CCc1cc(-c2ccccc2)c(O)cc1OCCCOc1ccc2c(=O)c3cc(C(=O)O)ccc3oc2c1CCC(=O)O | 10.1021/jm00076a030 | |||
| CHEMBL340460 | 118062 | 0 | None | - | 1 | Human | 10.0 | pKi | = | 10.0 | Binding | ChEMBL | 582 | 12 | 3 | 7 | 6.4 | CCc1cc(-c2ccccc2)c(O)cc1OCCCOc1ccc2c(=O)c3cc(C(=O)O)ccc3oc2c1CCC(=O)O | 10.1021/jm00076a030 | |||
| 2487 | 2368 | 36 | None | 31 | 2 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 336 | 14 | 3 | 3 | 4.2 | CCCCC/C=C\C[C@H](/C=C/C=C/C=C\[C@H](CCCC(=O)O)O)O | 10.1016/S0960-894X(01)80999-9 | |||
| 5280492 | 2368 | 36 | None | 31 | 2 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 336 | 14 | 3 | 3 | 4.2 | CCCCC/C=C\C[C@H](/C=C/C=C/C=C\[C@H](CCCC(=O)O)O)O | 10.1016/S0960-894X(01)80999-9 | |||
| CHEMBL65061 | 2368 | 36 | None | 31 | 2 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 336 | 14 | 3 | 3 | 4.2 | CCCCC/C=C\C[C@H](/C=C/C=C/C=C\[C@H](CCCC(=O)O)O)O | 10.1016/S0960-894X(01)80999-9 | |||
| DB12961 | 2368 | 36 | None | 31 | 2 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 336 | 14 | 3 | 3 | 4.2 | CCCCC/C=C\C[C@H](/C=C/C=C/C=C\[C@H](CCCC(=O)O)O)O | 10.1016/S0960-894X(01)80999-9 | |||
| 2487 | 2368 | 36 | None | 31 | 2 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 336 | 14 | 3 | 3 | 4.2 | CCCCC/C=C\C[C@H](/C=C/C=C/C=C\[C@H](CCCC(=O)O)O)O | 10.1016/S0960-894X(01)80105-0 | |||
| 5280492 | 2368 | 36 | None | 31 | 2 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 336 | 14 | 3 | 3 | 4.2 | CCCCC/C=C\C[C@H](/C=C/C=C/C=C\[C@H](CCCC(=O)O)O)O | 10.1016/S0960-894X(01)80105-0 | |||
| CHEMBL65061 | 2368 | 36 | None | 31 | 2 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 336 | 14 | 3 | 3 | 4.2 | CCCCC/C=C\C[C@H](/C=C/C=C/C=C\[C@H](CCCC(=O)O)O)O | 10.1016/S0960-894X(01)80105-0 | |||
| DB12961 | 2368 | 36 | None | 31 | 2 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 336 | 14 | 3 | 3 | 4.2 | CCCCC/C=C\C[C@H](/C=C/C=C/C=C\[C@H](CCCC(=O)O)O)O | 10.1016/S0960-894X(01)80105-0 | |||
| 2487 | 2368 | 36 | None | 31 | 2 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 336 | 14 | 3 | 3 | 4.2 | CCCCC/C=C\C[C@H](/C=C/C=C/C=C\[C@H](CCCC(=O)O)O)O | 10.1021/jm00076a030 | |||
| 5280492 | 2368 | 36 | None | 31 | 2 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 336 | 14 | 3 | 3 | 4.2 | CCCCC/C=C\C[C@H](/C=C/C=C/C=C\[C@H](CCCC(=O)O)O)O | 10.1021/jm00076a030 | |||
| CHEMBL65061 | 2368 | 36 | None | 31 | 2 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 336 | 14 | 3 | 3 | 4.2 | CCCCC/C=C\C[C@H](/C=C/C=C/C=C\[C@H](CCCC(=O)O)O)O | 10.1021/jm00076a030 | |||
| DB12961 | 2368 | 36 | None | 31 | 2 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 336 | 14 | 3 | 3 | 4.2 | CCCCC/C=C\C[C@H](/C=C/C=C/C=C\[C@H](CCCC(=O)O)O)O | 10.1021/jm00076a030 | |||
| 132379 | 111732 | 19 | None | - | 1 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 453 | 9 | 1 | 3 | 5.4 | CN(CCc1ccccc1)C(=O)Cc1cc(C(=O)O)cc2c(OCc3ccccc3)cccc12 | 10.1021/jm00100a034 | |||
| CHEMBL328712 | 111732 | 19 | None | - | 1 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 453 | 9 | 1 | 3 | 5.4 | CN(CCc1ccccc1)C(=O)Cc1cc(C(=O)O)cc2c(OCc3ccccc3)cccc12 | 10.1021/jm00100a034 | |||
| 10120811 | 96452 | 0 | None | - | 1 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 574 | 14 | 3 | 6 | 7.1 | CCc1cc(-c2ccc(F)cc2)c(O)cc1OCCCOc1cccc(Oc2ccc(C(=O)O)cc2)c1CCC(=O)O | 10.1016/S0960-894X(01)80105-0 | |||
| CHEMBL262231 | 96452 | 0 | None | - | 1 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 574 | 14 | 3 | 6 | 7.1 | CCc1cc(-c2ccc(F)cc2)c(O)cc1OCCCOc1cccc(Oc2ccc(C(=O)O)cc2)c1CCC(=O)O | 10.1016/S0960-894X(01)80105-0 | |||
| 192617 | 100752 | 22 | None | - | 1 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 600 | 12 | 3 | 7 | 6.6 | CCc1cc(-c2ccc(F)cc2)c(O)cc1OCCCOc1ccc2c(=O)c3cc(C(=O)O)ccc3oc2c1CCC(=O)O | 10.1021/jm00046a017 | |||
| CHEMBL292782 | 100752 | 22 | None | - | 1 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 600 | 12 | 3 | 7 | 6.6 | CCc1cc(-c2ccc(F)cc2)c(O)cc1OCCCOc1ccc2c(=O)c3cc(C(=O)O)ccc3oc2c1CCC(=O)O | 10.1021/jm00046a017 | |||
| 192617 | 100752 | 22 | None | - | 1 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 600 | 12 | 3 | 7 | 6.6 | CCc1cc(-c2ccc(F)cc2)c(O)cc1OCCCOc1ccc2c(=O)c3cc(C(=O)O)ccc3oc2c1CCC(=O)O | 10.1021/jm960088k | |||
| CHEMBL292782 | 100752 | 22 | None | - | 1 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 600 | 12 | 3 | 7 | 6.6 | CCc1cc(-c2ccc(F)cc2)c(O)cc1OCCCOc1ccc2c(=O)c3cc(C(=O)O)ccc3oc2c1CCC(=O)O | 10.1021/jm960088k | |||
| 192617 | 100752 | 22 | None | - | 1 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 600 | 12 | 3 | 7 | 6.6 | CCc1cc(-c2ccc(F)cc2)c(O)cc1OCCCOc1ccc2c(=O)c3cc(C(=O)O)ccc3oc2c1CCC(=O)O | 10.1016/S0960-894X(01)80105-0 | |||
| CHEMBL292782 | 100752 | 22 | None | - | 1 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 600 | 12 | 3 | 7 | 6.6 | CCc1cc(-c2ccc(F)cc2)c(O)cc1OCCCOc1ccc2c(=O)c3cc(C(=O)O)ccc3oc2c1CCC(=O)O | 10.1016/S0960-894X(01)80105-0 | |||
| 192617 | 100752 | 22 | None | - | 1 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 600 | 12 | 3 | 7 | 6.6 | CCc1cc(-c2ccc(F)cc2)c(O)cc1OCCCOc1ccc2c(=O)c3cc(C(=O)O)ccc3oc2c1CCC(=O)O | 10.1021/jm00076a030 | |||
| CHEMBL292782 | 100752 | 22 | None | - | 1 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 600 | 12 | 3 | 7 | 6.6 | CCc1cc(-c2ccc(F)cc2)c(O)cc1OCCCOc1ccc2c(=O)c3cc(C(=O)O)ccc3oc2c1CCC(=O)O | 10.1021/jm00076a030 | |||
| 10745838 | 118062 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 582 | 12 | 3 | 7 | 6.4 | CCc1cc(-c2ccccc2)c(O)cc1OCCCOc1ccc2c(=O)c3cc(C(=O)O)ccc3oc2c1CCC(=O)O | 10.1021/jm00076a030 | |||
| CHEMBL340460 | 118062 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 582 | 12 | 3 | 7 | 6.4 | CCc1cc(-c2ccccc2)c(O)cc1OCCCOc1ccc2c(=O)c3cc(C(=O)O)ccc3oc2c1CCC(=O)O | 10.1021/jm00076a030 | |||
| 6441619 | 206782 | 18 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 459 | 9 | 1 | 4 | 6.4 | O=C(O)/C=C/c1nc(CSc2c(Cl)cccc2Cl)ccc1OCCc1ccccc1 | 10.1021/jm960248s | |||
| CHEMBL90214 | 206782 | 18 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 459 | 9 | 1 | 4 | 6.4 | O=C(O)/C=C/c1nc(CSc2c(Cl)cccc2Cl)ccc1OCCc1ccccc1 | 10.1021/jm960248s | |||
| 6441619 | 206782 | 18 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 459 | 9 | 1 | 4 | 6.4 | O=C(O)/C=C/c1nc(CSc2c(Cl)cccc2Cl)ccc1OCCc1ccccc1 | 10.1021/jm960088k | |||
| CHEMBL90214 | 206782 | 18 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 459 | 9 | 1 | 4 | 6.4 | O=C(O)/C=C/c1nc(CSc2c(Cl)cccc2Cl)ccc1OCCc1ccccc1 | 10.1021/jm960088k | |||
| 9850643 | 207686 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 554 | 19 | 2 | 6 | 6.4 | CCCc1c(OCCCCCCc2cccc(OCCCCC(=O)O)c2CCC(=O)O)ccc2c1OCCC2=O | 10.1021/jm00046a017 | |||
| CHEMBL95453 | 207686 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 554 | 19 | 2 | 6 | 6.4 | CCCc1c(OCCCCCCc2cccc(OCCCCC(=O)O)c2CCC(=O)O)ccc2c1OCCC2=O | 10.1021/jm00046a017 | |||
| 15658147 | 9584 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 411 | 13 | 3 | 4 | 5.2 | CCCCCCCCC(O)/C=C/c1cccc(CC(O)c2cccc(C(=O)O)c2)n1 | 10.1021/jm00074a013 | |||
| CHEMBL112487 | 9584 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 411 | 13 | 3 | 4 | 5.2 | CCCCCCCCC(O)/C=C/c1cccc(CC(O)c2cccc(C(=O)O)c2)n1 | 10.1021/jm00074a013 | |||
| CHEMBL112520 | 9584 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 411 | 13 | 3 | 4 | 5.2 | CCCCCCCCC(O)/C=C/c1cccc(CC(O)c2cccc(C(=O)O)c2)n1 | 10.1021/jm00074a013 | |||
| 9850974 | 206267 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 568 | 20 | 2 | 6 | 6.8 | CCCc1c(OCCCCCCc2cccc(OCCCCCC(=O)O)c2CCC(=O)O)ccc2c1OCCC2=O | 10.1021/jm960088k | |||
| CHEMBL86900 | 206267 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 568 | 20 | 2 | 6 | 6.8 | CCCc1c(OCCCCCCc2cccc(OCCCCCC(=O)O)c2CCC(=O)O)ccc2c1OCCC2=O | 10.1021/jm960088k | |||
| 15658147 | 9584 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 411 | 13 | 3 | 4 | 5.2 | CCCCCCCCC(O)/C=C/c1cccc(CC(O)c2cccc(C(=O)O)c2)n1 | 10.1021/jm00074a012 | |||
| CHEMBL112487 | 9584 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 411 | 13 | 3 | 4 | 5.2 | CCCCCCCCC(O)/C=C/c1cccc(CC(O)c2cccc(C(=O)O)c2)n1 | 10.1021/jm00074a012 | |||
| CHEMBL112520 | 9584 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 411 | 13 | 3 | 4 | 5.2 | CCCCCCCCC(O)/C=C/c1cccc(CC(O)c2cccc(C(=O)O)c2)n1 | 10.1021/jm00074a012 | |||
| 10120811 | 96452 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 574 | 14 | 3 | 6 | 7.1 | CCc1cc(-c2ccc(F)cc2)c(O)cc1OCCCOc1cccc(Oc2ccc(C(=O)O)cc2)c1CCC(=O)O | 10.1016/S0960-894X(01)80105-0 | |||
| CHEMBL262231 | 96452 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 574 | 14 | 3 | 6 | 7.1 | CCc1cc(-c2ccc(F)cc2)c(O)cc1OCCCOc1cccc(Oc2ccc(C(=O)O)cc2)c1CCC(=O)O | 10.1016/S0960-894X(01)80105-0 | |||
| 19600933 | 202800 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 534 | 13 | 3 | 5 | 5.8 | CCc1cc(-c2ccc(F)cc2)c(O)cc1OCCCOc1ccc(C#CCCC(=O)O)cc1CCC(=O)O | 10.1016/S0960-894X(01)80105-0 | |||
| CHEMBL62265 | 202800 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 534 | 13 | 3 | 5 | 5.8 | CCc1cc(-c2ccc(F)cc2)c(O)cc1OCCCOc1ccc(C#CCCC(=O)O)cc1CCC(=O)O | 10.1016/S0960-894X(01)80105-0 | |||
| 9893718 | 206501 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 548 | 12 | 3 | 8 | 5.0 | CCc1cc(C(C)=O)c(O)cc1OCCCOc1ccc2c(=O)c3cc(C(=O)O)ccc3oc2c1CCC(=O)O | 10.1016/S0960-894X(01)80999-9 | |||
| CHEMBL292768 | 206501 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 548 | 12 | 3 | 8 | 5.0 | CCc1cc(C(C)=O)c(O)cc1OCCCOc1ccc2c(=O)c3cc(C(=O)O)ccc3oc2c1CCC(=O)O | 10.1016/S0960-894X(01)80999-9 | |||
| CHEMBL88337 | 206501 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 548 | 12 | 3 | 8 | 5.0 | CCc1cc(C(C)=O)c(O)cc1OCCCOc1ccc2c(=O)c3cc(C(=O)O)ccc3oc2c1CCC(=O)O | 10.1016/S0960-894X(01)80999-9 | |||
| 10529082 | 18818 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 489 | 10 | 1 | 5 | 6.4 | COc1ccc(CCOc2ccc(CSc3c(Cl)cccc3Cl)nc2/C=C/C(=O)O)cc1 | 10.1021/jm960248s | |||
| CHEMBL127913 | 18818 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 489 | 10 | 1 | 5 | 6.4 | COc1ccc(CCOc2ccc(CSc3c(Cl)cccc3Cl)nc2/C=C/C(=O)O)cc1 | 10.1021/jm960248s | |||
| 9893718 | 206501 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 548 | 12 | 3 | 8 | 5.0 | CCc1cc(C(C)=O)c(O)cc1OCCCOc1ccc2c(=O)c3cc(C(=O)O)ccc3oc2c1CCC(=O)O | 10.1021/jm00076a030 | |||
| CHEMBL292768 | 206501 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 548 | 12 | 3 | 8 | 5.0 | CCc1cc(C(C)=O)c(O)cc1OCCCOc1ccc2c(=O)c3cc(C(=O)O)ccc3oc2c1CCC(=O)O | 10.1021/jm00076a030 | |||
| CHEMBL88337 | 206501 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 548 | 12 | 3 | 8 | 5.0 | CCc1cc(C(C)=O)c(O)cc1OCCCOc1ccc2c(=O)c3cc(C(=O)O)ccc3oc2c1CCC(=O)O | 10.1021/jm00076a030 | |||
| 204058 | 163459 | 8 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 539 | 15 | 2 | 6 | 5.4 | CCCc1c(OCCCOc2ccc(C(=O)NC)c(OC)c2CC2CC2)ccc2c1O[C@H](CCC(=O)O)CC2 | 10.1021/jm00046a017 | |||
| CHEMBL419948 | 163459 | 8 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 539 | 15 | 2 | 6 | 5.4 | CCCc1c(OCCCOc2ccc(C(=O)NC)c(OC)c2CC2CC2)ccc2c1O[C@H](CCC(=O)O)CC2 | 10.1021/jm00046a017 | |||
| 10529241 | 18512 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 493 | 9 | 1 | 4 | 7.1 | O=C(O)/C=C/c1nc(CSc2c(Cl)cccc2Cl)ccc1OCCc1ccc(Cl)cc1 | 10.1021/jm960248s | |||
| CHEMBL127376 | 18512 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 493 | 9 | 1 | 4 | 7.1 | O=C(O)/C=C/c1nc(CSc2c(Cl)cccc2Cl)ccc1OCCc1ccc(Cl)cc1 | 10.1021/jm960248s | |||
| 10648186 | 18167 | 1 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 473 | 10 | 1 | 4 | 6.8 | O=C(O)/C=C/c1nc(CSc2c(Cl)cccc2Cl)ccc1OCCCc1ccccc1 | 10.1021/jm960248s | |||
| CHEMBL126976 | 18167 | 1 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 473 | 10 | 1 | 4 | 6.8 | O=C(O)/C=C/c1nc(CSc2c(Cl)cccc2Cl)ccc1OCCCc1ccccc1 | 10.1021/jm960248s | |||
| 11798848 | 16532 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 477 | 9 | 1 | 4 | 6.5 | O=C(O)/C=C/c1nc(CSc2c(Cl)cccc2Cl)ccc1OCCc1ccc(F)cc1 | 10.1021/jm960248s | |||
| CHEMBL123722 | 16532 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 477 | 9 | 1 | 4 | 6.5 | O=C(O)/C=C/c1nc(CSc2c(Cl)cccc2Cl)ccc1OCCc1ccc(F)cc1 | 10.1021/jm960248s | |||
| 9958441 | 116834 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 517 | 12 | 1 | 5 | 7.2 | COc1ccc(CCCCOc2ccc(CSc3c(Cl)cccc3Cl)nc2/C=C/C(=O)O)cc1 | 10.1021/jm960248s | |||
| CHEMBL337995 | 116834 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 517 | 12 | 1 | 5 | 7.2 | COc1ccc(CCCCOc2ccc(CSc3c(Cl)cccc3Cl)nc2/C=C/C(=O)O)cc1 | 10.1021/jm960248s | |||
| 2487 | 2368 | 36 | None | 31 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 336 | 14 | 3 | 3 | 4.2 | CCCCC/C=C\C[C@H](/C=C/C=C/C=C\[C@H](CCCC(=O)O)O)O | 10.1016/S0960-894X(01)80105-0 | |||
| 5280492 | 2368 | 36 | None | 31 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 336 | 14 | 3 | 3 | 4.2 | CCCCC/C=C\C[C@H](/C=C/C=C/C=C\[C@H](CCCC(=O)O)O)O | 10.1016/S0960-894X(01)80105-0 | |||
| CHEMBL65061 | 2368 | 36 | None | 31 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 336 | 14 | 3 | 3 | 4.2 | CCCCC/C=C\C[C@H](/C=C/C=C/C=C\[C@H](CCCC(=O)O)O)O | 10.1016/S0960-894X(01)80105-0 | |||
| DB12961 | 2368 | 36 | None | 31 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 336 | 14 | 3 | 3 | 4.2 | CCCCC/C=C\C[C@H](/C=C/C=C/C=C\[C@H](CCCC(=O)O)O)O | 10.1016/S0960-894X(01)80105-0 | |||
| 2487 | 2368 | 36 | None | 31 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 336 | 14 | 3 | 3 | 4.2 | CCCCC/C=C\C[C@H](/C=C/C=C/C=C\[C@H](CCCC(=O)O)O)O | 10.1021/jm00076a030 | |||
| 5280492 | 2368 | 36 | None | 31 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 336 | 14 | 3 | 3 | 4.2 | CCCCC/C=C\C[C@H](/C=C/C=C/C=C\[C@H](CCCC(=O)O)O)O | 10.1021/jm00076a030 | |||
| CHEMBL65061 | 2368 | 36 | None | 31 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 336 | 14 | 3 | 3 | 4.2 | CCCCC/C=C\C[C@H](/C=C/C=C/C=C\[C@H](CCCC(=O)O)O)O | 10.1021/jm00076a030 | |||
| DB12961 | 2368 | 36 | None | 31 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 336 | 14 | 3 | 3 | 4.2 | CCCCC/C=C\C[C@H](/C=C/C=C/C=C\[C@H](CCCC(=O)O)O)O | 10.1021/jm00076a030 | |||
| 18963032 | 101092 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 444 | 11 | 2 | 6 | 4.5 | CCCc1c(OCCCOc2cc(O)c(OC)cc2CC)ccc2c1OC(C(=O)O)CC2 | 10.1016/S0960-894X(00)80454-0 | |||
| CHEMBL294987 | 101092 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 444 | 11 | 2 | 6 | 4.5 | CCCc1c(OCCCOc2cc(O)c(OC)cc2CC)ccc2c1OC(C(=O)O)CC2 | 10.1016/S0960-894X(00)80454-0 | |||
| 44340787 | 14581 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 435 | 12 | 3 | 4 | 6.0 | CCCCCCCCC(O)c1ccc2ccc(CC(O)c3cccc(C(=O)O)c3)nc2c1 | 10.1021/jm00074a012 | |||
| CHEMBL1204561 | 14581 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 435 | 12 | 3 | 4 | 6.0 | CCCCCCCCC(O)c1ccc2ccc(CC(O)c3cccc(C(=O)O)c3)nc2c1 | 10.1021/jm00074a012 | |||
| CHEMBL326397 | 14581 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 435 | 12 | 3 | 4 | 6.0 | CCCCCCCCC(O)c1ccc2ccc(CC(O)c3cccc(C(=O)O)c3)nc2c1 | 10.1021/jm00074a012 | |||
| 15839729 | 206888 | 1 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 456 | 11 | 2 | 6 | 4.7 | CCCc1c(OCCCOc2cc(O)c(C(C)=O)cc2CC)ccc2c1OC(C(=O)O)CC2 | 10.1016/S0960-894X(00)80304-2 | |||
| CHEMBL15559 | 206888 | 1 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 456 | 11 | 2 | 6 | 4.7 | CCCc1c(OCCCOc2cc(O)c(C(C)=O)cc2CC)ccc2c1OC(C(=O)O)CC2 | 10.1016/S0960-894X(00)80304-2 | |||
| CHEMBL90788 | 206888 | 1 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 456 | 11 | 2 | 6 | 4.7 | CCCc1c(OCCCOc2cc(O)c(C(C)=O)cc2CC)ccc2c1OC(C(=O)O)CC2 | 10.1016/S0960-894X(00)80304-2 | |||
| 10046307 | 14796 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 374 | 12 | 2 | 5 | 4.7 | CCCCc1cc(CC)c(OCCCCCC(C)(C)c2nn[nH]n2)cc1O | 10.1016/0960-894X(95)00340-Y | |||
| CHEMBL1206771 | 14796 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 374 | 12 | 2 | 5 | 4.7 | CCCCc1cc(CC)c(OCCCCCC(C)(C)c2nn[nH]n2)cc1O | 10.1016/0960-894X(95)00340-Y | |||
| CHEMBL305560 | 14796 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 374 | 12 | 2 | 5 | 4.7 | CCCCc1cc(CC)c(OCCCCCC(C)(C)c2nn[nH]n2)cc1O | 10.1016/0960-894X(95)00340-Y | |||
| 15658110 | 14574 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 419 | 12 | 2 | 3 | 6.5 | CCCCCCCCC(O)c1ccc2ccc(CCc3cccc(C(=O)O)c3)nc2c1 | 10.1021/jm00074a012 | |||
| CHEMBL113528 | 14574 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 419 | 12 | 2 | 3 | 6.5 | CCCCCCCCC(O)c1ccc2ccc(CCc3cccc(C(=O)O)c3)nc2c1 | 10.1021/jm00074a012 | |||
| CHEMBL1204495 | 14574 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 419 | 12 | 2 | 3 | 6.5 | CCCCCCCCC(O)c1ccc2ccc(CCc3cccc(C(=O)O)c3)nc2c1 | 10.1021/jm00074a012 | |||
| 15658157 | 14575 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 449 | 12 | 3 | 5 | 4.9 | CCCCOc1cccc(C(O)CCc2cccc(CC(O)c3cccc(C(=O)O)c3)n2)c1 | 10.1021/jm00074a012 | |||
| CHEMBL114454 | 14575 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 449 | 12 | 3 | 5 | 4.9 | CCCCOc1cccc(C(O)CCc2cccc(CC(O)c3cccc(C(=O)O)c3)n2)c1 | 10.1021/jm00074a012 | |||
| CHEMBL1204496 | 14575 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 449 | 12 | 3 | 5 | 4.9 | CCCCOc1cccc(C(O)CCc2cccc(CC(O)c3cccc(C(=O)O)c3)n2)c1 | 10.1021/jm00074a012 | |||
| 10037501 | 184724 | 4 | None | - | 1 | Human | 4.0 | pKi | = | 4 | Binding | ChEMBL | 245 | 1 | 1 | 5 | 0.5 | CN1C(=O)/C(=C/c2ccc3c(c2)OCO3)N=C1N | 10.1021/np50100a005 | |||
| CHEMBL485053 | 184724 | 4 | None | - | 1 | Human | 4.0 | pKi | = | 4 | Binding | ChEMBL | 245 | 1 | 1 | 5 | 0.5 | CN1C(=O)/C(=C/c2ccc3c(c2)OCO3)N=C1N | 10.1021/np50100a005 | |||
| 18963059 | 14624 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 402 | 11 | 2 | 6 | 4.7 | CCc1cc(OC2CCCC2)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/S0960-894X(00)80453-9 | |||
| CHEMBL1205055 | 14624 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 402 | 11 | 2 | 6 | 4.7 | CCc1cc(OC2CCCC2)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/S0960-894X(00)80453-9 | |||
| CHEMBL47726 | 14624 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 402 | 11 | 2 | 6 | 4.7 | CCc1cc(OC2CCCC2)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/S0960-894X(00)80453-9 | |||
| 14977959 | 9487 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 506 | 15 | 2 | 5 | 6.0 | Nc1cccc([S+]([O-])Cc2ccc(OCCCCCCCCc3ccccc3)c(/C=C/C(=O)O)n2)c1 | 10.1021/jm00074a013 | |||
| CHEMBL112018 | 9487 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 506 | 15 | 2 | 5 | 6.0 | Nc1cccc([S+]([O-])Cc2ccc(OCCCCCCCCc3ccccc3)c(/C=C/C(=O)O)n2)c1 | 10.1021/jm00074a013 | |||
| 18963030 | 14623 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 442 | 12 | 2 | 6 | 5.1 | CCc1cc(OCc2ccc(F)cc2)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/S0960-894X(00)80453-9 | |||
| CHEMBL1205054 | 14623 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 442 | 12 | 2 | 6 | 5.1 | CCc1cc(OCc2ccc(F)cc2)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/S0960-894X(00)80453-9 | |||
| CHEMBL47725 | 14623 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 442 | 12 | 2 | 6 | 5.1 | CCc1cc(OCc2ccc(F)cc2)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/S0960-894X(00)80453-9 | |||
| 21765776 | 163691 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 563 | 18 | 2 | 6 | 7.3 | COc1ccc(CCCCCCCCOc2ccc(CSCc3ccccc3C(=O)O)nc2/C=C/C(=O)O)cc1 | 10.1021/jm00046a017 | |||
| CHEMBL420488 | 163691 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 563 | 18 | 2 | 6 | 7.3 | COc1ccc(CCCCCCCCOc2ccc(CSCc3ccccc3C(=O)O)nc2/C=C/C(=O)O)cc1 | 10.1021/jm00046a017 | |||
| 14977907 | 9550 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 483 | 18 | 2 | 5 | 6.8 | CCCCCCCCCCCCOc1ccc(COc2cccc(C(=O)O)c2)nc1/C=C/C(=O)O | 10.1021/jm00074a013 | |||
| CHEMBL112310 | 9550 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 483 | 18 | 2 | 5 | 6.8 | CCCCCCCCCCCCOc1ccc(COc2cccc(C(=O)O)c2)nc1/C=C/C(=O)O | 10.1021/jm00074a013 | |||
| 14977965 | 111349 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 524 | 15 | 2 | 5 | 6.2 | Nc1cccc([S+]([O-])Cc2ccc(OCCCCCCCCc3ccc(F)cc3)c(/C=C/C(=O)O)n2)c1 | 10.1021/jm00074a013 | |||
| CHEMBL326909 | 111349 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 524 | 15 | 2 | 5 | 6.2 | Nc1cccc([S+]([O-])Cc2ccc(OCCCCCCCCc3ccc(F)cc3)c(/C=C/C(=O)O)n2)c1 | 10.1021/jm00074a013 | |||
| 11798329 | 18505 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 463 | 8 | 1 | 4 | 6.5 | O=C(O)/C=C/c1nc(CSc2c(Cl)cccc2Cl)ccc1OCc1ccc(F)cc1 | 10.1021/jm960248s | |||
| CHEMBL127341 | 18505 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 463 | 8 | 1 | 4 | 6.5 | O=C(O)/C=C/c1nc(CSc2c(Cl)cccc2Cl)ccc1OCc1ccc(F)cc1 | 10.1021/jm960248s | |||
| 11800543 | 19391 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 538 | 11 | 2 | 6 | 6.7 | CCc1cc(-c2ccccc2)c(O)cc1OCCCOc1ccc2c(=O)c3ccccc3oc2c1CCC(=O)O | 10.1021/jm00076a030 | |||
| CHEMBL129272 | 19391 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 538 | 11 | 2 | 6 | 6.7 | CCc1cc(-c2ccccc2)c(O)cc1OCCCOc1ccc2c(=O)c3ccccc3oc2c1CCC(=O)O | 10.1021/jm00076a030 | |||
| 122023 | 50795 | 60 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 360 | 10 | 2 | 6 | 3.6 | CCc1cc(C(C)=O)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/0960-894X(95)00340-Y | |||
| CHEMBL15766 | 50795 | 60 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 360 | 10 | 2 | 6 | 3.6 | CCc1cc(C(C)=O)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/0960-894X(95)00340-Y | |||
| CHEMBL45460 | 50795 | 60 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 360 | 10 | 2 | 6 | 3.6 | CCc1cc(C(C)=O)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/0960-894X(95)00340-Y | |||
| 23257866 | 9466 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 515 | 18 | 2 | 5 | 6.5 | CCCCCCCCCCCCOc1ccc(C[S+]([O-])c2cccc(C(=O)O)c2)nc1/C=C/C(=O)O | 10.1021/jm00074a013 | |||
| CHEMBL111908 | 9466 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 515 | 18 | 2 | 5 | 6.5 | CCCCCCCCCCCCOc1ccc(C[S+]([O-])c2cccc(C(=O)O)c2)nc1/C=C/C(=O)O | 10.1021/jm00074a013 | |||
| 10021742 | 9456 | 6 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 365 | 4 | 1 | 7 | 2.6 | Cn1c(N)nc(Cc2ccc3c(c2)OCO3)c1Cc1ccc2c(c1)OCO2 | 10.1021/np50100a005 | |||
| CHEMBL111825 | 9456 | 6 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 365 | 4 | 1 | 7 | 2.6 | Cn1c(N)nc(Cc2ccc3c(c2)OCO3)c1Cc1ccc2c(c1)OCO2 | 10.1021/np50100a005 | |||
| 14977963 | 9643 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 574 | 15 | 2 | 5 | 7.1 | Nc1cccc([S+]([O-])Cc2ccc(OCCCCCCCCc3ccc(C(F)(F)F)cc3)c(/C=C/C(=O)O)n2)c1 | 10.1021/jm00074a013 | |||
| CHEMBL112737 | 9643 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 574 | 15 | 2 | 5 | 7.1 | Nc1cccc([S+]([O-])Cc2ccc(OCCCCCCCCc3ccc(C(F)(F)F)cc3)c(/C=C/C(=O)O)n2)c1 | 10.1021/jm00074a013 | |||
| 9829619 | 100753 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 574 | 14 | 3 | 6 | 7.1 | CCc1cc(-c2ccc(F)cc2)c(O)cc1OCCCOc1cc(Oc2ccc(C(=O)O)cc2)ccc1CCC(=O)O | 10.1016/S0960-894X(01)80105-0 | |||
| CHEMBL292783 | 100753 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 574 | 14 | 3 | 6 | 7.1 | CCc1cc(-c2ccc(F)cc2)c(O)cc1OCCCOc1cc(Oc2ccc(C(=O)O)cc2)ccc1CCC(=O)O | 10.1016/S0960-894X(01)80105-0 | |||
| 9977200 | 29376 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 360 | 11 | 2 | 5 | 4.3 | CCCc1cc(CC)c(OCCCCCC(C)(C)c2nn[nH]n2)cc1O | 10.1016/0960-894X(95)00340-Y | |||
| CHEMBL138370 | 29376 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 360 | 11 | 2 | 5 | 4.3 | CCCc1cc(CC)c(OCCCCCC(C)(C)c2nn[nH]n2)cc1O | 10.1016/0960-894X(95)00340-Y | |||
| CHEMBL60617 | 29376 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 360 | 11 | 2 | 5 | 4.3 | CCCc1cc(CC)c(OCCCCCC(C)(C)c2nn[nH]n2)cc1O | 10.1016/0960-894X(95)00340-Y | |||
| 10292143 | 116597 | 1 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 362 | 11 | 2 | 6 | 3.8 | CCOc1cc(CC)c(OCCCCCC(C)(C)c2nn[nH]n2)cc1O | 10.1016/0960-894X(95)00340-Y | |||
| CHEMBL336665 | 116597 | 1 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 362 | 11 | 2 | 6 | 3.8 | CCOc1cc(CC)c(OCCCCCC(C)(C)c2nn[nH]n2)cc1O | 10.1016/0960-894X(95)00340-Y | |||
| CHEMBL48667 | 116597 | 1 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 362 | 11 | 2 | 6 | 3.8 | CCOc1cc(CC)c(OCCCCCC(C)(C)c2nn[nH]n2)cc1O | 10.1016/0960-894X(95)00340-Y | |||
| 10292143 | 116597 | 1 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 362 | 11 | 2 | 6 | 3.8 | CCOc1cc(CC)c(OCCCCCC(C)(C)c2nn[nH]n2)cc1O | 10.1016/S0960-894X(00)80453-9 | |||
| CHEMBL336665 | 116597 | 1 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 362 | 11 | 2 | 6 | 3.8 | CCOc1cc(CC)c(OCCCCCC(C)(C)c2nn[nH]n2)cc1O | 10.1016/S0960-894X(00)80453-9 | |||
| CHEMBL48667 | 116597 | 1 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 362 | 11 | 2 | 6 | 3.8 | CCOc1cc(CC)c(OCCCCCC(C)(C)c2nn[nH]n2)cc1O | 10.1016/S0960-894X(00)80453-9 | |||
| 10292143 | 116597 | 1 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 362 | 11 | 2 | 6 | 3.8 | CCOc1cc(CC)c(OCCCCCC(C)(C)c2nn[nH]n2)cc1O | 10.1016/S0960-894X(00)80454-0 | |||
| CHEMBL336665 | 116597 | 1 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 362 | 11 | 2 | 6 | 3.8 | CCOc1cc(CC)c(OCCCCCC(C)(C)c2nn[nH]n2)cc1O | 10.1016/S0960-894X(00)80454-0 | |||
| CHEMBL48667 | 116597 | 1 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 362 | 11 | 2 | 6 | 3.8 | CCOc1cc(CC)c(OCCCCCC(C)(C)c2nn[nH]n2)cc1O | 10.1016/S0960-894X(00)80454-0 | |||
| 18963040 | 14868 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 404 | 14 | 2 | 6 | 5.0 | CCCCCOc1cc(CC)c(OCCCCCC(C)(C)c2nn[nH]n2)cc1O | 10.1016/0960-894X(95)00340-Y | |||
| CHEMBL1207571 | 14868 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 404 | 14 | 2 | 6 | 5.0 | CCCCCOc1cc(CC)c(OCCCCCC(C)(C)c2nn[nH]n2)cc1O | 10.1016/0960-894X(95)00340-Y | |||
| CHEMBL416259 | 14868 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 404 | 14 | 2 | 6 | 5.0 | CCCCCOc1cc(CC)c(OCCCCCC(C)(C)c2nn[nH]n2)cc1O | 10.1016/0960-894X(95)00340-Y | |||
| 15658122 | 9764 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 453 | 12 | 2 | 4 | 6.0 | CCCCCCCCC(O)c1ccc2ccc(C[S+]([O-])c3cccc(C(=O)O)c3)nc2c1 | 10.1021/jm00074a012 | |||
| CHEMBL113514 | 9764 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 453 | 12 | 2 | 4 | 6.0 | CCCCCCCCC(O)c1ccc2ccc(C[S+]([O-])c3cccc(C(=O)O)c3)nc2c1 | 10.1021/jm00074a012 | |||
| 15658098 | 169316 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 383 | 13 | 2 | 3 | 6.3 | CCCCCCCCC(O)c1ccc2ccc(/C=C/CCCC(=O)O)nc2c1 | 10.1021/jm00074a012 | |||
| CHEMBL441647 | 169316 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 383 | 13 | 2 | 3 | 6.3 | CCCCCCCCC(O)c1ccc2ccc(/C=C/CCCC(=O)O)nc2c1 | 10.1021/jm00074a012 | |||
| 14977952 | 109037 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 676 | 19 | 2 | 7 | 7.3 | COc1ccc(CCCCCCCCOc2ccc(C[S+]([O-])c3cccc(NS(=O)(=O)c4ccccc4)c3)nc2/C=C/C(=O)O)cc1 | 10.1021/jm00074a013 | |||
| CHEMBL321261 | 109037 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 676 | 19 | 2 | 7 | 7.3 | COc1ccc(CCCCCCCCOc2ccc(C[S+]([O-])c3cccc(NS(=O)(=O)c4ccccc4)c3)nc2/C=C/C(=O)O)cc1 | 10.1021/jm00074a013 | |||
| 14977946 | 110580 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 531 | 18 | 2 | 6 | 6.2 | CCCCCCCCCCCCOc1ccc(CS(=O)(=O)c2cccc(C(=O)O)c2)nc1/C=C/C(=O)O | 10.1021/jm00074a013 | |||
| CHEMBL325423 | 110580 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 531 | 18 | 2 | 6 | 6.2 | CCCCCCCCCCCCOc1ccc(CS(=O)(=O)c2cccc(C(=O)O)c2)nc1/C=C/C(=O)O | 10.1021/jm00074a013 | |||
| 44270188 | 51386 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 484 | 13 | 1 | 6 | 5.4 | CCCc1cc(OCCCOc2ccc(C(C)=O)c(OC)c2CCC)cc2c1OC(C(=O)O)CC2 | 10.1016/S0960-894X(00)80304-2 | |||
| CHEMBL15817 | 51386 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 484 | 13 | 1 | 6 | 5.4 | CCCc1cc(OCCCOc2ccc(C(C)=O)c(OC)c2CCC)cc2c1OC(C(=O)O)CC2 | 10.1016/S0960-894X(00)80304-2 | |||
| 9984593 | 9637 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 533 | 17 | 2 | 5 | 7.3 | O=C(O)/C=C/c1nc(CSCc2cccc(C(=O)O)c2)ccc1OCCCCCCCCc1ccccc1 | 10.1021/jm00046a017 | |||
| CHEMBL112707 | 9637 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 533 | 17 | 2 | 5 | 7.3 | O=C(O)/C=C/c1nc(CSCc2cccc(C(=O)O)c2)ccc1OCCCCCCCCc1ccccc1 | 10.1021/jm00046a017 | |||
| 15839733 | 45636 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 458 | 14 | 2 | 6 | 5.2 | CCCc1c(OCCCOc2cc(O)c(C(C)=O)cc2CC)cccc1OC(CC)C(=O)O | 10.1016/S0960-894X(00)80304-2 | |||
| CHEMBL15295 | 45636 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 458 | 14 | 2 | 6 | 5.2 | CCCc1c(OCCCOc2cc(O)c(C(C)=O)cc2CC)cccc1OC(CC)C(=O)O | 10.1016/S0960-894X(00)80304-2 | |||
| 14977913 | 9261 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 549 | 17 | 2 | 6 | 5.7 | COc1ccc(CCCCCCCCOc2ccc(COc3cccc(C(=O)O)c3)[n+]([O-])c2/C=C/C(=O)O)cc1 | 10.1021/jm00074a013 | |||
| CHEMBL110797 | 9261 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 549 | 17 | 2 | 6 | 5.7 | COc1ccc(CCCCCCCCOc2ccc(COc3cccc(C(=O)O)c3)[n+]([O-])c2/C=C/C(=O)O)cc1 | 10.1021/jm00074a013 | |||
| 14977924 | 110947 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 565 | 17 | 2 | 6 | 6.2 | COc1ccc(CCCCCCCCOc2ccc(C[S+]([O-])c3cccc(C(=O)O)c3)nc2/C=C/C(=O)O)cc1 | 10.1021/jm00074a013 | |||
| CHEMBL326192 | 110947 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 565 | 17 | 2 | 6 | 6.2 | COc1ccc(CCCCCCCCOc2ccc(C[S+]([O-])c3cccc(C(=O)O)c3)nc2/C=C/C(=O)O)cc1 | 10.1021/jm00074a013 | |||
| 10812265 | 58147 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 424 | 11 | 2 | 6 | 5.1 | CCc1cc(-c2cccc(OC)c2)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/S0960-894X(01)80850-7 | |||
| CHEMBL167923 | 58147 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 424 | 11 | 2 | 6 | 5.1 | CCc1cc(-c2cccc(OC)c2)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/S0960-894X(01)80850-7 | |||
| 10475982 | 161824 | 0 | None | -15 | 2 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 398 | 5 | 1 | 5 | 4.5 | O[C@@H]1c2cc(OCc3ccc4ccccc4n3)ccc2OC[C@H]1Cc1cccnc1 | 10.1016/0960-894X(95)00135-G | |||
| CHEMBL414462 | 161824 | 0 | None | -15 | 2 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 398 | 5 | 1 | 5 | 4.5 | O[C@@H]1c2cc(OCc3ccc4ccccc4n3)ccc2OC[C@H]1Cc1cccnc1 | 10.1016/0960-894X(95)00135-G | |||
| 21765774 | 9701 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 579 | 18 | 2 | 6 | 6.3 | COc1ccc(CCCCCCCCOc2ccc(C[S+]([O-])Cc3ccc(C(=O)O)cc3)nc2/C=C/C(=O)O)cc1 | 10.1021/jm00046a017 | |||
| CHEMBL113146 | 9701 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 579 | 18 | 2 | 6 | 6.3 | COc1ccc(CCCCCCCCOc2ccc(C[S+]([O-])Cc3ccc(C(=O)O)cc3)nc2/C=C/C(=O)O)cc1 | 10.1021/jm00046a017 | |||
| 14977898 | 10090 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 519 | 15 | 3 | 6 | 5.3 | COc1ccc(CCCCCCOc2ccc(CC(O)c3cccc(C(=O)O)c3)nc2/C=C/C(=O)O)cc1 | 10.1021/jm00074a013 | |||
| CHEMBL115437 | 10090 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 519 | 15 | 3 | 6 | 5.3 | COc1ccc(CCCCCCOc2ccc(CC(O)c3cccc(C(=O)O)c3)nc2/C=C/C(=O)O)cc1 | 10.1021/jm00074a013 | |||
| 14977924 | 110947 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 565 | 17 | 2 | 6 | 6.2 | COc1ccc(CCCCCCCCOc2ccc(C[S+]([O-])c3cccc(C(=O)O)c3)nc2/C=C/C(=O)O)cc1 | 10.1021/jm00046a017 | |||
| CHEMBL326192 | 110947 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 565 | 17 | 2 | 6 | 6.2 | COc1ccc(CCCCCCCCOc2ccc(C[S+]([O-])c3cccc(C(=O)O)c3)nc2/C=C/C(=O)O)cc1 | 10.1021/jm00046a017 | |||
| 10405361 | 14645 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 346 | 10 | 2 | 5 | 3.9 | CCc1cc(CC)c(OCCCCCC(C)(C)c2nn[nH]n2)cc1O | 10.1016/0960-894X(95)00340-Y | |||
| CHEMBL1205188 | 14645 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 346 | 10 | 2 | 5 | 3.9 | CCc1cc(CC)c(OCCCCCC(C)(C)c2nn[nH]n2)cc1O | 10.1016/0960-894X(95)00340-Y | |||
| CHEMBL62051 | 14645 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 346 | 10 | 2 | 5 | 3.9 | CCc1cc(CC)c(OCCCCCC(C)(C)c2nn[nH]n2)cc1O | 10.1016/0960-894X(95)00340-Y | |||
| 15839732 | 45687 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 444 | 13 | 2 | 6 | 4.8 | CCCc1c(OCCCOc2cc(O)c(C(C)=O)cc2CC)cccc1OC(C)C(=O)O | 10.1016/S0960-894X(00)80304-2 | |||
| CHEMBL15299 | 45687 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 444 | 13 | 2 | 6 | 4.8 | CCCc1c(OCCCOc2cc(O)c(C(C)=O)cc2CC)cccc1OC(C)C(=O)O | 10.1016/S0960-894X(00)80304-2 | |||
| 44382468 | 59088 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 412 | 5 | 1 | 5 | 5.1 | C[C@H](Oc1ccc2c(c1)OC[C@@H](Cc1cccnc1)[C@@H]2O)c1ccc2ccccc2n1 | 10.1016/0960-894X(95)00135-G | |||
| CHEMBL169639 | 59088 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 412 | 5 | 1 | 5 | 5.1 | C[C@H](Oc1ccc2c(c1)OC[C@@H](Cc1cccnc1)[C@@H]2O)c1ccc2ccccc2n1 | 10.1016/0960-894X(95)00135-G | |||
| 44341107 | 9460 | 0 | None | - | 1 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 277 | 4 | 1 | 3 | 3.2 | Cn1c(N)nc(Cc2ccccc2)c1Cc1ccccc1 | 10.1021/jm00074a014 | |||
| CHEMBL111872 | 9460 | 0 | None | - | 1 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 277 | 4 | 1 | 3 | 3.2 | Cn1c(N)nc(Cc2ccccc2)c1Cc1ccccc1 | 10.1021/jm00074a014 | |||
| 23257889 | 9502 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 535 | 17 | 1 | 6 | 7.5 | COc1ccc(CCCCCCCCOc2ccc(CSc3cccc(OC)c3)nc2/C=C/C(=O)O)cc1 | 10.1021/jm00074a013 | |||
| CHEMBL112088 | 9502 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 535 | 17 | 1 | 6 | 7.5 | COc1ccc(CCCCCCCCOc2ccc(CSc3cccc(OC)c3)nc2/C=C/C(=O)O)cc1 | 10.1021/jm00074a013 | |||
| 132379 | 111732 | 19 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 453 | 9 | 1 | 3 | 5.4 | CN(CCc1ccccc1)C(=O)Cc1cc(C(=O)O)cc2c(OCc3ccccc3)cccc12 | 10.1021/jm00100a034 | |||
| CHEMBL328712 | 111732 | 19 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 453 | 9 | 1 | 3 | 5.4 | CN(CCc1ccccc1)C(=O)Cc1cc(C(=O)O)cc2c(OCc3ccccc3)cccc12 | 10.1021/jm00100a034 | |||
| 132379 | 111732 | 19 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 453 | 9 | 1 | 3 | 5.4 | CN(CCc1ccccc1)C(=O)Cc1cc(C(=O)O)cc2c(OCc3ccccc3)cccc12 | 10.1021/jm00070a015 | |||
| CHEMBL328712 | 111732 | 19 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 453 | 9 | 1 | 3 | 5.4 | CN(CCc1ccccc1)C(=O)Cc1cc(C(=O)O)cc2c(OCc3ccccc3)cccc12 | 10.1021/jm00070a015 | |||
| 132379 | 111732 | 19 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 453 | 9 | 1 | 3 | 5.4 | CN(CCc1ccccc1)C(=O)Cc1cc(C(=O)O)cc2c(OCc3ccccc3)cccc12 | 10.1021/jm00046a017 | |||
| CHEMBL328712 | 111732 | 19 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 453 | 9 | 1 | 3 | 5.4 | CN(CCc1ccccc1)C(=O)Cc1cc(C(=O)O)cc2c(OCc3ccccc3)cccc12 | 10.1021/jm00046a017 | |||
| 10694814 | 16570 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 449 | 12 | 1 | 5 | 5.9 | COc1ccc(CCCCOc2ccc(CSc3ccccc3)nc2/C=C/C(=O)O)cc1 | 10.1021/jm960248s | |||
| CHEMBL123862 | 16570 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 449 | 12 | 1 | 5 | 5.9 | COc1ccc(CCCCOc2ccc(CSc3ccccc3)nc2/C=C/C(=O)O)cc1 | 10.1021/jm960248s | |||
| 2487 | 2368 | 36 | None | 31 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 336 | 14 | 3 | 3 | 4.2 | CCCCC/C=C\C[C@H](/C=C/C=C/C=C\[C@H](CCCC(=O)O)O)O | 10.1021/np50094a001 | |||
| 5280492 | 2368 | 36 | None | 31 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 336 | 14 | 3 | 3 | 4.2 | CCCCC/C=C\C[C@H](/C=C/C=C/C=C\[C@H](CCCC(=O)O)O)O | 10.1021/np50094a001 | |||
| CHEMBL65061 | 2368 | 36 | None | 31 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 336 | 14 | 3 | 3 | 4.2 | CCCCC/C=C\C[C@H](/C=C/C=C/C=C\[C@H](CCCC(=O)O)O)O | 10.1021/np50094a001 | |||
| DB12961 | 2368 | 36 | None | 31 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 336 | 14 | 3 | 3 | 4.2 | CCCCC/C=C\C[C@H](/C=C/C=C/C=C\[C@H](CCCC(=O)O)O)O | 10.1021/np50094a001 | |||
| 10182429 | 58139 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 428 | 10 | 2 | 5 | 5.7 | CCc1cc(-c2ccc(Cl)cc2)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/S0960-894X(01)80850-7 | |||
| CHEMBL167850 | 58139 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 428 | 10 | 2 | 5 | 5.7 | CCc1cc(-c2ccc(Cl)cc2)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/S0960-894X(01)80850-7 | |||
| 11800543 | 19391 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 538 | 11 | 2 | 6 | 6.7 | CCc1cc(-c2ccccc2)c(O)cc1OCCCOc1ccc2c(=O)c3ccccc3oc2c1CCC(=O)O | 10.1021/jm00076a030 | |||
| CHEMBL129272 | 19391 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 538 | 11 | 2 | 6 | 6.7 | CCc1cc(-c2ccccc2)c(O)cc1OCCCOc1ccc2c(=O)c3ccccc3oc2c1CCC(=O)O | 10.1021/jm00076a030 | |||
| 18963040 | 14868 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 404 | 14 | 2 | 6 | 5.0 | CCCCCOc1cc(CC)c(OCCCCCC(C)(C)c2nn[nH]n2)cc1O | 10.1016/0960-894X(95)00340-Y | |||
| CHEMBL1207571 | 14868 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 404 | 14 | 2 | 6 | 5.0 | CCCCCOc1cc(CC)c(OCCCCCC(C)(C)c2nn[nH]n2)cc1O | 10.1016/0960-894X(95)00340-Y | |||
| CHEMBL416259 | 14868 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 404 | 14 | 2 | 6 | 5.0 | CCCCCOc1cc(CC)c(OCCCCCC(C)(C)c2nn[nH]n2)cc1O | 10.1016/0960-894X(95)00340-Y | |||
| 18963040 | 14868 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 404 | 14 | 2 | 6 | 5.0 | CCCCCOc1cc(CC)c(OCCCCCC(C)(C)c2nn[nH]n2)cc1O | 10.1016/S0960-894X(00)80453-9 | |||
| CHEMBL1207571 | 14868 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 404 | 14 | 2 | 6 | 5.0 | CCCCCOc1cc(CC)c(OCCCCCC(C)(C)c2nn[nH]n2)cc1O | 10.1016/S0960-894X(00)80453-9 | |||
| CHEMBL416259 | 14868 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 404 | 14 | 2 | 6 | 5.0 | CCCCCOc1cc(CC)c(OCCCCCC(C)(C)c2nn[nH]n2)cc1O | 10.1016/S0960-894X(00)80453-9 | |||
| 114999 | 3538 | 21 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 484 | 13 | 1 | 6 | 5.4 | CCCc1c(OCCCOc2ccc(c(c2CCC)OC)C(=O)C)ccc2c1OC(CC2)C(=O)O | 10.1021/jm00074a014 | |||
| 6156 | 3538 | 21 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 484 | 13 | 1 | 6 | 5.4 | CCCc1c(OCCCOc2ccc(c(c2CCC)OC)C(=O)C)ccc2c1OC(CC2)C(=O)O | 10.1021/jm00074a014 | |||
| CHEMBL14823 | 3538 | 21 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 484 | 13 | 1 | 6 | 5.4 | CCCc1c(OCCCOc2ccc(c(c2CCC)OC)C(=O)C)ccc2c1OC(CC2)C(=O)O | 10.1021/jm00074a014 | |||
| 44341141 | 9434 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 667 | 18 | 1 | 7 | 6.9 | COc1ccc(CCCCCCCCOc2ccc(C[S+]([O-])c3cccc(CS(=O)(=O)C(F)(F)F)c3)nc2/C=C/C(=O)O)cc1 | 10.1021/jm00074a013 | |||
| CHEMBL111723 | 9434 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 667 | 18 | 1 | 7 | 6.9 | COc1ccc(CCCCCCCCOc2ccc(C[S+]([O-])c3cccc(CS(=O)(=O)C(F)(F)F)c3)nc2/C=C/C(=O)O)cc1 | 10.1021/jm00074a013 | |||
| 23257891 | 9705 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 551 | 17 | 1 | 6 | 6.5 | COc1ccc(CCCCCCCCOc2ccc(C[S+]([O-])c3cccc(OC)c3)nc2/C=C/C(=O)O)cc1 | 10.1021/jm00074a013 | |||
| CHEMBL113167 | 9705 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 551 | 17 | 1 | 6 | 6.5 | COc1ccc(CCCCCCCCOc2ccc(C[S+]([O-])c3cccc(OC)c3)nc2/C=C/C(=O)O)cc1 | 10.1021/jm00074a013 | |||
| 10325873 | 9519 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 579 | 18 | 2 | 6 | 6.3 | COc1ccc(CCCCCCCCOc2ccc(C[S+]([O-])Cc3cccc(C(=O)O)c3)nc2/C=C/C(=O)O)cc1 | 10.1021/jm00046a017 | |||
| CHEMBL112169 | 9519 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 579 | 18 | 2 | 6 | 6.3 | COc1ccc(CCCCCCCCOc2ccc(C[S+]([O-])Cc3cccc(C(=O)O)c3)nc2/C=C/C(=O)O)cc1 | 10.1021/jm00046a017 | |||
| 44382378 | 58869 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 412 | 5 | 1 | 5 | 5.1 | CC(Oc1ccc2c(c1)OC[C@@H](Cc1ccccn1)[C@@H]2O)c1ccc2ccccc2n1 | 10.1016/0960-894X(95)00135-G | |||
| CHEMBL168854 | 58869 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 412 | 5 | 1 | 5 | 5.1 | CC(Oc1ccc2c(c1)OC[C@@H](Cc1ccccn1)[C@@H]2O)c1ccc2ccccc2n1 | 10.1016/0960-894X(95)00135-G | |||
| 44341318 | 9549 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 349 | 8 | 2 | 4 | 3.5 | Cn1c(N)nc(Cc2ccc(CCCCO)cc2)c1Cc1ccccc1 | 10.1021/jm00074a014 | |||
| CHEMBL112309 | 9549 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 349 | 8 | 2 | 4 | 3.5 | Cn1c(N)nc(Cc2ccc(CCCCO)cc2)c1Cc1ccccc1 | 10.1021/jm00074a014 | |||
| 23257882 | 110415 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 564 | 17 | 1 | 6 | 6.5 | COc1ccc(CCCCCCCCOc2ccc(C[S+]([O-])c3cccc(N(C)C)c3)nc2/C=C/C(=O)O)cc1 | 10.1021/jm00074a013 | |||
| CHEMBL324478 | 110415 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 564 | 17 | 1 | 6 | 6.5 | COc1ccc(CCCCCCCCOc2ccc(C[S+]([O-])c3cccc(N(C)C)c3)nc2/C=C/C(=O)O)cc1 | 10.1021/jm00074a013 | |||
| 10745069 | 30096 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 542 | 13 | 2 | 4 | 7.9 | CCCc1c(Cc2ccccc2C(=O)O)cccc1OCCCOc1cc(O)c(-c2ccc(F)cc2)cc1CC | 10.1021/jm00022a006 | |||
| CHEMBL138954 | 30096 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 542 | 13 | 2 | 4 | 7.9 | CCCc1c(Cc2ccccc2C(=O)O)cccc1OCCCOc1cc(O)c(-c2ccc(F)cc2)cc1CC | 10.1021/jm00022a006 | |||
| 177941 | 1588 | 50 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 544 | 13 | 2 | 5 | 8.1 | CCCc1c(OCCCOc2cc(O)c(cc2CC)c2ccc(cc2)F)cccc1Oc1ccccc1C(=O)O | 10.1021/jm960088k | |||
| 2948 | 1588 | 50 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 544 | 13 | 2 | 5 | 8.1 | CCCc1c(OCCCOc2cc(O)c(cc2CC)c2ccc(cc2)F)cccc1Oc1ccccc1C(=O)O | 10.1021/jm960088k | |||
| CHEMBL329123 | 1588 | 50 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 544 | 13 | 2 | 5 | 8.1 | CCCc1c(OCCCOc2cc(O)c(cc2CC)c2ccc(cc2)F)cccc1Oc1ccccc1C(=O)O | 10.1021/jm960088k | |||
| DB12850 | 1588 | 50 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 544 | 13 | 2 | 5 | 8.1 | CCCc1c(OCCCOc2cc(O)c(cc2CC)c2ccc(cc2)F)cccc1Oc1ccccc1C(=O)O | 10.1021/jm960088k | |||
| 9906324 | 14619 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 348 | 10 | 2 | 6 | 3.4 | CCc1cc(OC)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/0960-894X(95)00340-Y | |||
| CHEMBL1205046 | 14619 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 348 | 10 | 2 | 6 | 3.4 | CCc1cc(OC)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/0960-894X(95)00340-Y | |||
| CHEMBL46820 | 14619 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 348 | 10 | 2 | 6 | 3.4 | CCc1cc(OC)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/0960-894X(95)00340-Y | |||
| 9906324 | 14619 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 348 | 10 | 2 | 6 | 3.4 | CCc1cc(OC)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/S0960-894X(00)80453-9 | |||
| CHEMBL1205046 | 14619 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 348 | 10 | 2 | 6 | 3.4 | CCc1cc(OC)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/S0960-894X(00)80453-9 | |||
| CHEMBL46820 | 14619 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 348 | 10 | 2 | 6 | 3.4 | CCc1cc(OC)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/S0960-894X(00)80453-9 | |||
| 9906324 | 14619 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 348 | 10 | 2 | 6 | 3.4 | CCc1cc(OC)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/S0960-894X(00)80454-0 | |||
| CHEMBL1205046 | 14619 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 348 | 10 | 2 | 6 | 3.4 | CCc1cc(OC)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/S0960-894X(00)80454-0 | |||
| CHEMBL46820 | 14619 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 348 | 10 | 2 | 6 | 3.4 | CCc1cc(OC)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/S0960-894X(00)80454-0 | |||
| 14977920 | 9479 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 515 | 18 | 2 | 5 | 6.5 | CCCCCCCCCCCCOc1ccc(C[S+]([O-])c2ccc(C(=O)O)cc2)nc1/C=C/C(=O)O | 10.1021/jm00074a013 | |||
| CHEMBL111969 | 9479 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 515 | 18 | 2 | 5 | 6.5 | CCCCCCCCCCCCOc1ccc(C[S+]([O-])c2ccc(C(=O)O)cc2)nc1/C=C/C(=O)O | 10.1021/jm00074a013 | |||
| 44341073 | 10128 | 0 | None | - | 1 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 307 | 5 | 1 | 4 | 3.2 | COc1cccc(Cc2nc(N)n(C)c2Cc2ccccc2)c1 | 10.1021/jm00074a014 | |||
| CHEMBL115679 | 10128 | 0 | None | - | 1 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 307 | 5 | 1 | 4 | 3.2 | COc1cccc(Cc2nc(N)n(C)c2Cc2ccccc2)c1 | 10.1021/jm00074a014 | |||
| 10324028 | 10028 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 509 | 15 | 2 | 6 | 5.6 | COc1ccc(CCCCOc2ccc(CSCc3cccc(C(=O)O)c3)nc2CCC(=O)O)cc1 | 10.1021/jm00046a017 | |||
| CHEMBL115040 | 10028 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 509 | 15 | 2 | 6 | 5.6 | COc1ccc(CCCCOc2ccc(CSCc3cccc(C(=O)O)c3)nc2CCC(=O)O)cc1 | 10.1021/jm00046a017 | |||
| 44302963 | 14641 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 402 | 14 | 2 | 5 | 5.5 | CCCCCCc1cc(CC)c(OCCCCCC(C)(C)c2nn[nH]n2)cc1O | 10.1016/0960-894X(95)00340-Y | |||
| CHEMBL1205145 | 14641 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 402 | 14 | 2 | 5 | 5.5 | CCCCCCc1cc(CC)c(OCCCCCC(C)(C)c2nn[nH]n2)cc1O | 10.1016/0960-894X(95)00340-Y | |||
| CHEMBL58794 | 14641 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 402 | 14 | 2 | 5 | 5.5 | CCCCCCc1cc(CC)c(OCCCCCC(C)(C)c2nn[nH]n2)cc1O | 10.1016/0960-894X(95)00340-Y | |||
| 9826485 | 106364 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 469 | 16 | 3 | 5 | 5.7 | CCCCCCCCCCOc1ccc(CC(O)c2cccc(C(=O)O)c2)nc1/C=C/C(=O)O | 10.1021/jm00070a015 | |||
| CHEMBL313923 | 106364 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 469 | 16 | 3 | 5 | 5.7 | CCCCCCCCCCOc1ccc(CC(O)c2cccc(C(=O)O)c2)nc1/C=C/C(=O)O | 10.1021/jm00070a015 | |||
| 114999 | 3538 | 21 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 484 | 13 | 1 | 6 | 5.4 | CCCc1c(OCCCOc2ccc(c(c2CCC)OC)C(=O)C)ccc2c1OC(CC2)C(=O)O | 10.1016/0960-894X(95)00135-G | |||
| 6156 | 3538 | 21 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 484 | 13 | 1 | 6 | 5.4 | CCCc1c(OCCCOc2ccc(c(c2CCC)OC)C(=O)C)ccc2c1OC(CC2)C(=O)O | 10.1016/0960-894X(95)00135-G | |||
| CHEMBL14823 | 3538 | 21 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 484 | 13 | 1 | 6 | 5.4 | CCCc1c(OCCCOc2ccc(c(c2CCC)OC)C(=O)C)ccc2c1OC(CC2)C(=O)O | 10.1016/0960-894X(95)00135-G | |||
| 15658099 | 163333 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 385 | 14 | 2 | 3 | 6.2 | CCCCCCCCC(O)c1ccc2ccc(CCCCCC(=O)O)nc2c1 | 10.1021/jm00074a012 | |||
| CHEMBL419036 | 163333 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 385 | 14 | 2 | 3 | 6.2 | CCCCCCCCC(O)c1ccc2ccc(CCCCCC(=O)O)nc2c1 | 10.1021/jm00074a012 | |||
| 9826485 | 106364 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 469 | 16 | 3 | 5 | 5.7 | CCCCCCCCCCOc1ccc(CC(O)c2cccc(C(=O)O)c2)nc1/C=C/C(=O)O | 10.1021/jm00074a013 | |||
| CHEMBL313923 | 106364 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 469 | 16 | 3 | 5 | 5.7 | CCCCCCCCCCOc1ccc(CC(O)c2cccc(C(=O)O)c2)nc1/C=C/C(=O)O | 10.1021/jm00074a013 | |||
| 14977927 | 10256 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 652 | 18 | 2 | 7 | 7.7 | COc1ccc(CCCCCCCCOc2ccc(CSc3cccc(NS(=O)(=O)C(F)(F)F)c3)nc2/C=C/C(=O)O)cc1 | 10.1021/jm00074a013 | |||
| CHEMBL116101 | 10256 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 652 | 18 | 2 | 7 | 7.7 | COc1ccc(CCCCCCCCOc2ccc(CSc3cccc(NS(=O)(=O)C(F)(F)F)c3)nc2/C=C/C(=O)O)cc1 | 10.1021/jm00074a013 | |||
| 15658155 | 14572 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 447 | 11 | 3 | 5 | 5.0 | CCCCOc1cccc(C(O)/C=C/c2cccc(CC(O)c3cccc(C(=O)O)c3)n2)c1 | 10.1021/jm00074a012 | |||
| CHEMBL113288 | 14572 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 447 | 11 | 3 | 5 | 5.0 | CCCCOc1cccc(C(O)/C=C/c2cccc(CC(O)c3cccc(C(=O)O)c3)n2)c1 | 10.1021/jm00074a012 | |||
| CHEMBL1204493 | 14572 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 447 | 11 | 3 | 5 | 5.0 | CCCCOc1cccc(C(O)/C=C/c2cccc(CC(O)c3cccc(C(=O)O)c3)n2)c1 | 10.1021/jm00074a012 | |||
| 10179915 | 58107 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 412 | 10 | 2 | 5 | 5.2 | CCc1cc(-c2ccc(F)cc2)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/S0960-894X(01)80850-7 | |||
| CHEMBL167520 | 58107 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 412 | 10 | 2 | 5 | 5.2 | CCc1cc(-c2ccc(F)cc2)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/S0960-894X(01)80850-7 | |||
| 44302965 | 198954 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 551 | 14 | 1 | 7 | 6.5 | CCCc1c(OCCCOc2ccc(-c3cscn3)c(COC)c2CC2CC2)ccc2c1O[C@@H](C(=O)O)CC2 | 10.1021/jm990504b | |||
| CHEMBL58495 | 198954 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 551 | 14 | 1 | 7 | 6.5 | CCCc1c(OCCCOc2ccc(-c3cscn3)c(COC)c2CC2CC2)ccc2c1O[C@@H](C(=O)O)CC2 | 10.1021/jm990504b | |||
| 192624 | 168491 | 2 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 394 | 10 | 2 | 5 | 5.1 | CCc1cc(-c2ccccc2)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/S0960-894X(01)80850-7 | |||
| CHEMBL435273 | 168491 | 2 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 394 | 10 | 2 | 5 | 5.1 | CCc1cc(-c2ccccc2)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/S0960-894X(01)80850-7 | |||
| 9912012 | 162204 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 458 | 12 | 2 | 6 | 4.9 | CCCc1c(OCCCOc2cc(O)c(OCC)cc2CC)ccc2c1OC(C(=O)O)CC2 | 10.1016/S0960-894X(00)80454-0 | |||
| CHEMBL416277 | 162204 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 458 | 12 | 2 | 6 | 4.9 | CCCc1c(OCCCOc2cc(O)c(OCC)cc2CC)ccc2c1OC(C(=O)O)CC2 | 10.1016/S0960-894X(00)80454-0 | |||
| 9906324 | 14619 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 348 | 10 | 2 | 6 | 3.4 | CCc1cc(OC)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/0960-894X(95)00340-Y | |||
| CHEMBL1205046 | 14619 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 348 | 10 | 2 | 6 | 3.4 | CCc1cc(OC)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/0960-894X(95)00340-Y | |||
| CHEMBL46820 | 14619 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 348 | 10 | 2 | 6 | 3.4 | CCc1cc(OC)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/0960-894X(95)00340-Y | |||
| 6157 | 2934 | 20 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 470 | 17 | 2 | 5 | 5.6 | COc1ccc(cc1)/C=C/CCCCOc1cccc(c1CCC(=O)O)OCCCCC(=O)O | 10.1021/jm960088k | |||
| 6438358 | 2934 | 20 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 470 | 17 | 2 | 5 | 5.6 | COc1ccc(cc1)/C=C/CCCCOc1cccc(c1CCC(=O)O)OCCCCC(=O)O | 10.1021/jm960088k | |||
| CHEMBL422420 | 2934 | 20 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 470 | 17 | 2 | 5 | 5.6 | COc1ccc(cc1)/C=C/CCCCOc1cccc(c1CCC(=O)O)OCCCCC(=O)O | 10.1021/jm960088k | |||
| 44302966 | 96499 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 484 | 13 | 2 | 6 | 4.9 | CCCc1c(OCCCOc2ccc3c(c2CCC)O[C@@H](C(=O)O)CC3)ccc(C(C)=O)c1CO | 10.1021/jm990504b | |||
| CHEMBL262530 | 96499 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 484 | 13 | 2 | 6 | 4.9 | CCCc1c(OCCCOc2ccc3c(c2CCC)O[C@@H](C(=O)O)CC3)ccc(C(C)=O)c1CO | 10.1021/jm990504b | |||
| 10554820 | 30279 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 556 | 13 | 2 | 5 | 7.5 | CCCc1c(OCCCOc2cc(O)c(-c3ccc(F)cc3)cc2CC)cccc1C(=O)c1ccccc1C(=O)O | 10.1021/jm00022a006 | |||
| CHEMBL139115 | 30279 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 556 | 13 | 2 | 5 | 7.5 | CCCc1c(OCCCOc2cc(O)c(-c3ccc(F)cc3)cc2CC)cccc1C(=O)c1ccccc1C(=O)O | 10.1021/jm00022a006 | |||
| 44302963 | 14641 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 402 | 14 | 2 | 5 | 5.5 | CCCCCCc1cc(CC)c(OCCCCCC(C)(C)c2nn[nH]n2)cc1O | 10.1016/0960-894X(95)00340-Y | |||
| CHEMBL1205145 | 14641 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 402 | 14 | 2 | 5 | 5.5 | CCCCCCc1cc(CC)c(OCCCCCC(C)(C)c2nn[nH]n2)cc1O | 10.1016/0960-894X(95)00340-Y | |||
| CHEMBL58794 | 14641 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 402 | 14 | 2 | 5 | 5.5 | CCCCCCc1cc(CC)c(OCCCCCC(C)(C)c2nn[nH]n2)cc1O | 10.1016/0960-894X(95)00340-Y | |||
| 9845585 | 58156 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 408 | 10 | 2 | 5 | 5.4 | CCc1cc(-c2ccc(C)cc2)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/S0960-894X(01)80850-7 | |||
| CHEMBL168011 | 58156 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 408 | 10 | 2 | 5 | 5.4 | CCc1cc(-c2ccc(C)cc2)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/S0960-894X(01)80850-7 | |||
| 44382275 | 59737 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 412 | 5 | 1 | 5 | 5.1 | C[C@@H](Oc1ccc2c(c1)OC[C@@H](Cc1cccnc1)[C@@H]2O)c1ccc2ccccc2n1 | 10.1016/0960-894X(95)00135-G | |||
| CHEMBL172457 | 59737 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 412 | 5 | 1 | 5 | 5.1 | C[C@@H](Oc1ccc2c(c1)OC[C@@H](Cc1cccnc1)[C@@H]2O)c1ccc2ccccc2n1 | 10.1016/0960-894X(95)00135-G | |||
| 44382384 | 59542 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 412 | 5 | 1 | 5 | 5.1 | CC(Oc1ccc2c(c1)OC[C@H](Cc1ccccn1)[C@@H]2O)c1ccc2ccccc2n1 | 10.1016/0960-894X(95)00135-G | |||
| CHEMBL171666 | 59542 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 412 | 5 | 1 | 5 | 5.1 | CC(Oc1ccc2c(c1)OC[C@H](Cc1ccccn1)[C@@H]2O)c1ccc2ccccc2n1 | 10.1016/0960-894X(95)00135-G | |||
| 14977911 | 9599 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 499 | 18 | 2 | 5 | 6.0 | CCCCCCCCCCCCOc1ccc(COc2cccc(C(=O)O)c2)[n+]([O-])c1/C=C/C(=O)O | 10.1021/jm00074a013 | |||
| CHEMBL112544 | 9599 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 499 | 18 | 2 | 5 | 6.0 | CCCCCCCCCCCCOc1ccc(COc2cccc(C(=O)O)c2)[n+]([O-])c1/C=C/C(=O)O | 10.1021/jm00074a013 | |||
| 14977931 | 9656 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 520 | 16 | 2 | 6 | 7.0 | COc1ccc(CCCCCCCCOc2ccc(CSc3cccc(N)c3)nc2/C=C/C(=O)O)cc1 | 10.1021/jm00074a013 | |||
| CHEMBL112808 | 9656 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 520 | 16 | 2 | 6 | 7.0 | COc1ccc(CCCCCCCCOc2ccc(CSc3cccc(N)c3)nc2/C=C/C(=O)O)cc1 | 10.1021/jm00074a013 | |||
| 10021742 | 9456 | 6 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 365 | 4 | 1 | 7 | 2.6 | Cn1c(N)nc(Cc2ccc3c(c2)OCO3)c1Cc1ccc2c(c1)OCO2 | 10.1021/jm00074a014 | |||
| CHEMBL111825 | 9456 | 6 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 365 | 4 | 1 | 7 | 2.6 | Cn1c(N)nc(Cc2ccc3c(c2)OCO3)c1Cc1ccc2c(c1)OCO2 | 10.1021/jm00074a014 | |||
| 14977957 | 9520 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 490 | 15 | 2 | 5 | 7.0 | Nc1cccc(SCc2ccc(OCCCCCCCCc3ccccc3)c(/C=C/C(=O)O)n2)c1 | 10.1021/jm00074a013 | |||
| CHEMBL112176 | 9520 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 490 | 15 | 2 | 5 | 7.0 | Nc1cccc(SCc2ccc(OCCCCCCCCc3ccccc3)c(/C=C/C(=O)O)n2)c1 | 10.1021/jm00074a013 | |||
| 14977933 | 9890 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 552 | 16 | 2 | 7 | 5.7 | COc1ccc(CCCCCCCCOc2ccc(CS(=O)(=O)c3cccc(N)c3)nc2/C=C/C(=O)O)cc1 | 10.1021/jm00074a013 | |||
| CHEMBL114290 | 9890 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 552 | 16 | 2 | 7 | 5.7 | COc1ccc(CCCCCCCCOc2ccc(CS(=O)(=O)c3cccc(N)c3)nc2/C=C/C(=O)O)cc1 | 10.1021/jm00074a013 | |||
| 10507666 | 30918 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 592 | 13 | 2 | 6 | 7.1 | CCCc1c(OCCCOc2cc(O)c(-c3ccc(F)cc3)cc2CC)cccc1S(=O)(=O)c1ccccc1C(=O)O | 10.1021/jm00022a006 | |||
| CHEMBL139799 | 30918 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 592 | 13 | 2 | 6 | 7.1 | CCCc1c(OCCCOc2cc(O)c(-c3ccc(F)cc3)cc2CC)cccc1S(=O)(=O)c1ccccc1C(=O)O | 10.1021/jm00022a006 | |||
| 9807782 | 19428 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 556 | 11 | 2 | 6 | 6.9 | CCc1cc(-c2ccc(F)cc2)c(O)cc1OCCCOc1ccc2c(=O)c3ccccc3oc2c1CCC(=O)O | 10.1021/jm00076a030 | |||
| CHEMBL129463 | 19428 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 556 | 11 | 2 | 6 | 6.9 | CCc1cc(-c2ccc(F)cc2)c(O)cc1OCCCOc1ccc2c(=O)c3ccccc3oc2c1CCC(=O)O | 10.1021/jm00076a030 | |||
| 6444688 | 187320 | 35 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 502 | 14 | 2 | 5 | 5.9 | COc1ccc(/C=C/CCCCOc2ccc(C(=O)c3cccc(C(=O)O)c3)cc2CCC(=O)O)cc1 | 10.1021/jm00074a014 | |||
| CHEMBL49302 | 187320 | 35 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 502 | 14 | 2 | 5 | 5.9 | COc1ccc(/C=C/CCCCOc2ccc(C(=O)c3cccc(C(=O)O)c3)cc2CCC(=O)O)cc1 | 10.1021/jm00074a014 | |||
| 23257894 | 9655 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 521 | 16 | 1 | 5 | 6.5 | COc1ccc(CCCCCCCCOc2ccc(C[S+]([O-])c3ccccc3)nc2/C=C/C(=O)O)cc1 | 10.1021/jm00074a013 | |||
| CHEMBL112804 | 9655 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 521 | 16 | 1 | 5 | 6.5 | COc1ccc(CCCCCCCCOc2ccc(C[S+]([O-])c3ccccc3)nc2/C=C/C(=O)O)cc1 | 10.1021/jm00074a013 | |||
| 10342316 | 58151 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 424 | 11 | 2 | 6 | 5.1 | CCc1cc(-c2ccc(OC)cc2)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/S0960-894X(01)80850-7 | |||
| CHEMBL167972 | 58151 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 424 | 11 | 2 | 6 | 5.1 | CCc1cc(-c2ccc(OC)cc2)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/S0960-894X(01)80850-7 | |||
| 10363485 | 59103 | 0 | None | -29 | 2 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 398 | 5 | 1 | 5 | 4.5 | O[C@@H]1c2ccc(OCc3ccc4ccccc4n3)cc2OC[C@@H]1Cc1cccnc1 | 10.1016/0960-894X(95)00135-G | |||
| CHEMBL169743 | 59103 | 0 | None | -29 | 2 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 398 | 5 | 1 | 5 | 4.5 | O[C@@H]1c2ccc(OCc3ccc4ccccc4n3)cc2OC[C@@H]1Cc1cccnc1 | 10.1016/0960-894X(95)00135-G | |||
| 9800998 | 99368 | 2 | None | -32 | 2 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 398 | 5 | 1 | 5 | 4.5 | O[C@@H]1c2cc(OCc3ccc4ccccc4n3)ccc2OC[C@@H]1Cc1cccnc1 | 10.1016/0960-894X(95)00135-G | |||
| CHEMBL282524 | 99368 | 2 | None | -32 | 2 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 398 | 5 | 1 | 5 | 4.5 | O[C@@H]1c2cc(OCc3ccc4ccccc4n3)ccc2OC[C@@H]1Cc1cccnc1 | 10.1016/0960-894X(95)00135-G | |||
| 9829619 | 100753 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 574 | 14 | 3 | 6 | 7.1 | CCc1cc(-c2ccc(F)cc2)c(O)cc1OCCCOc1cc(Oc2ccc(C(=O)O)cc2)ccc1CCC(=O)O | 10.1016/S0960-894X(01)80105-0 | |||
| CHEMBL292783 | 100753 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 574 | 14 | 3 | 6 | 7.1 | CCc1cc(-c2ccc(F)cc2)c(O)cc1OCCCOc1cc(Oc2ccc(C(=O)O)cc2)ccc1CCC(=O)O | 10.1016/S0960-894X(01)80105-0 | |||
| 44382463 | 59224 | 0 | None | -9 | 2 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 398 | 5 | 1 | 5 | 4.5 | O[C@@H]1c2ccc(OCc3ccc4ccccc4n3)cc2OC[C@H]1Cc1cccnc1 | 10.1016/0960-894X(95)00135-G | |||
| CHEMBL170226 | 59224 | 0 | None | -9 | 2 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 398 | 5 | 1 | 5 | 4.5 | O[C@@H]1c2ccc(OCc3ccc4ccccc4n3)cc2OC[C@H]1Cc1cccnc1 | 10.1016/0960-894X(95)00135-G | |||
| 6157 | 2934 | 20 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 470 | 17 | 2 | 5 | 5.6 | COc1ccc(cc1)/C=C/CCCCOc1cccc(c1CCC(=O)O)OCCCCC(=O)O | 10.1021/jm00070a015 | |||
| 6438358 | 2934 | 20 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 470 | 17 | 2 | 5 | 5.6 | COc1ccc(cc1)/C=C/CCCCOc1cccc(c1CCC(=O)O)OCCCCC(=O)O | 10.1021/jm00070a015 | |||
| CHEMBL422420 | 2934 | 20 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 470 | 17 | 2 | 5 | 5.6 | COc1ccc(cc1)/C=C/CCCCOc1cccc(c1CCC(=O)O)OCCCCC(=O)O | 10.1021/jm00070a015 | |||
| 6157 | 2934 | 20 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 470 | 17 | 2 | 5 | 5.6 | COc1ccc(cc1)/C=C/CCCCOc1cccc(c1CCC(=O)O)OCCCCC(=O)O | 10.1021/jm00046a017 | |||
| 6438358 | 2934 | 20 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 470 | 17 | 2 | 5 | 5.6 | COc1ccc(cc1)/C=C/CCCCOc1cccc(c1CCC(=O)O)OCCCCC(=O)O | 10.1021/jm00046a017 | |||
| CHEMBL422420 | 2934 | 20 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 470 | 17 | 2 | 5 | 5.6 | COc1ccc(cc1)/C=C/CCCCOc1cccc(c1CCC(=O)O)OCCCCC(=O)O | 10.1021/jm00046a017 | |||
| 9807782 | 19428 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 556 | 11 | 2 | 6 | 6.9 | CCc1cc(-c2ccc(F)cc2)c(O)cc1OCCCOc1ccc2c(=O)c3ccccc3oc2c1CCC(=O)O | 10.1021/jm00076a030 | |||
| CHEMBL129463 | 19428 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 556 | 11 | 2 | 6 | 6.9 | CCc1cc(-c2ccc(F)cc2)c(O)cc1OCCCOc1ccc2c(=O)c3ccccc3oc2c1CCC(=O)O | 10.1021/jm00076a030 | |||
| 9893718 | 206501 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 548 | 12 | 3 | 8 | 5.0 | CCc1cc(C(C)=O)c(O)cc1OCCCOc1ccc2c(=O)c3cc(C(=O)O)ccc3oc2c1CCC(=O)O | 10.1021/jm00076a030 | |||
| CHEMBL292768 | 206501 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 548 | 12 | 3 | 8 | 5.0 | CCc1cc(C(C)=O)c(O)cc1OCCCOc1ccc2c(=O)c3cc(C(=O)O)ccc3oc2c1CCC(=O)O | 10.1021/jm00076a030 | |||
| CHEMBL88337 | 206501 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 548 | 12 | 3 | 8 | 5.0 | CCc1cc(C(C)=O)c(O)cc1OCCCOc1ccc2c(=O)c3cc(C(=O)O)ccc3oc2c1CCC(=O)O | 10.1021/jm00076a030 | |||
| 3083459 | 120388 | 1 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 412 | 10 | 2 | 5 | 5.2 | CCc1cc(-c2cccc(F)c2)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/S0960-894X(01)80850-7 | |||
| CHEMBL353378 | 120388 | 1 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 412 | 10 | 2 | 5 | 5.2 | CCc1cc(-c2cccc(F)c2)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/S0960-894X(01)80850-7 | |||
| 6439436 | 9554 | 2 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 536 | 16 | 2 | 6 | 6.0 | COc1ccc(CCCCCCCCOc2ccc(C[S+]([O-])c3cccc(N)c3)nc2/C=C/C(=O)O)cc1 | 10.1021/jm00074a013 | |||
| CHEMBL112338 | 9554 | 2 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 536 | 16 | 2 | 6 | 6.0 | COc1ccc(CCCCCCCCOc2ccc(C[S+]([O-])c3cccc(N)c3)nc2/C=C/C(=O)O)cc1 | 10.1021/jm00074a013 | |||
| 6439436 | 9554 | 2 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 536 | 16 | 2 | 6 | 6.0 | COc1ccc(CCCCCCCCOc2ccc(C[S+]([O-])c3cccc(N)c3)nc2/C=C/C(=O)O)cc1 | 10.1021/jm960248s | |||
| CHEMBL112338 | 9554 | 2 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 536 | 16 | 2 | 6 | 6.0 | COc1ccc(CCCCCCCCOc2ccc(C[S+]([O-])c3cccc(N)c3)nc2/C=C/C(=O)O)cc1 | 10.1021/jm960248s | |||
| 10292143 | 116597 | 1 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 362 | 11 | 2 | 6 | 3.8 | CCOc1cc(CC)c(OCCCCCC(C)(C)c2nn[nH]n2)cc1O | 10.1016/0960-894X(95)00340-Y | |||
| CHEMBL336665 | 116597 | 1 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 362 | 11 | 2 | 6 | 3.8 | CCOc1cc(CC)c(OCCCCCC(C)(C)c2nn[nH]n2)cc1O | 10.1016/0960-894X(95)00340-Y | |||
| CHEMBL48667 | 116597 | 1 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 362 | 11 | 2 | 6 | 3.8 | CCOc1cc(CC)c(OCCCCCC(C)(C)c2nn[nH]n2)cc1O | 10.1016/0960-894X(95)00340-Y | |||
| 10050724 | 10124 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 477 | 13 | 2 | 5 | 5.7 | O=C(O)/C=C/c1nc(CSCc2cccc(C(=O)O)c2)ccc1OCCCCc1ccccc1 | 10.1021/jm00046a017 | |||
| CHEMBL115658 | 10124 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 477 | 13 | 2 | 5 | 5.7 | O=C(O)/C=C/c1nc(CSCc2cccc(C(=O)O)c2)ccc1OCCCCc1ccccc1 | 10.1021/jm00046a017 | |||
| 15839731 | 49451 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 430 | 13 | 2 | 6 | 4.4 | CCCc1c(OCCCOc2cc(O)c(C(C)=O)cc2CC)cccc1OCC(=O)O | 10.1016/S0960-894X(00)80304-2 | |||
| CHEMBL15648 | 49451 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 430 | 13 | 2 | 6 | 4.4 | CCCc1c(OCCCOc2cc(O)c(C(C)=O)cc2CC)cccc1OCC(=O)O | 10.1016/S0960-894X(00)80304-2 | |||
| 9872540 | 30441 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 560 | 13 | 2 | 5 | 8.4 | CCCc1c(OCCCOc2cc(O)c(-c3ccc(F)cc3)cc2CC)cccc1Sc1ccccc1C(=O)O | 10.1021/jm00022a006 | |||
| CHEMBL139254 | 30441 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 560 | 13 | 2 | 5 | 8.4 | CCCc1c(OCCCOc2cc(O)c(-c3ccc(F)cc3)cc2CC)cccc1Sc1ccccc1C(=O)O | 10.1021/jm00022a006 | |||
| 14977894 | 110607 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 471 | 17 | 3 | 5 | 5.6 | CCCCCCCCCCOc1ccc(CC(O)c2cccc(C(=O)O)c2)nc1CCC(=O)O | 10.1021/jm00074a013 | |||
| CHEMBL325615 | 110607 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 471 | 17 | 3 | 5 | 5.6 | CCCCCCCCCCOc1ccc(CC(O)c2cccc(C(=O)O)c2)nc1CCC(=O)O | 10.1021/jm00074a013 | |||
| 14977961 | 9510 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 558 | 15 | 2 | 5 | 8.0 | Nc1cccc(SCc2ccc(OCCCCCCCCc3ccc(C(F)(F)F)cc3)c(/C=C/C(=O)O)n2)c1 | 10.1021/jm00074a013 | |||
| CHEMBL112135 | 9510 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 558 | 15 | 2 | 5 | 8.0 | Nc1cccc(SCc2ccc(OCCCCCCCCc3ccc(C(F)(F)F)cc3)c(/C=C/C(=O)O)n2)c1 | 10.1021/jm00074a013 | |||
| 6450158 | 187174 | 20 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 516 | 12 | 2 | 6 | 5.9 | COc1ccc(/C=C/CCCCOc2ccc3c(=O)c4cc(C(=O)O)ccc4oc3c2CCC(=O)O)cc1 | 10.1016/S0960-894X(01)80999-9 | |||
| CHEMBL49210 | 187174 | 20 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 516 | 12 | 2 | 6 | 5.9 | COc1ccc(/C=C/CCCCOc2ccc3c(=O)c4cc(C(=O)O)ccc4oc3c2CCC(=O)O)cc1 | 10.1016/S0960-894X(01)80999-9 | |||
| 14977916 | 111325 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 515 | 18 | 2 | 5 | 6.5 | CCCCCCCCCCCCOc1ccc(C[S+]([O-])c2ccccc2C(=O)O)nc1/C=C/C(=O)O | 10.1021/jm00074a013 | |||
| CHEMBL326779 | 111325 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 515 | 18 | 2 | 5 | 6.5 | CCCCCCCCCCCCOc1ccc(C[S+]([O-])c2ccccc2C(=O)O)nc1/C=C/C(=O)O | 10.1021/jm00074a013 | |||
| 10405361 | 14645 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 346 | 10 | 2 | 5 | 3.9 | CCc1cc(CC)c(OCCCCCC(C)(C)c2nn[nH]n2)cc1O | 10.1016/0960-894X(95)00340-Y | |||
| CHEMBL1205188 | 14645 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 346 | 10 | 2 | 5 | 3.9 | CCc1cc(CC)c(OCCCCCC(C)(C)c2nn[nH]n2)cc1O | 10.1016/0960-894X(95)00340-Y | |||
| CHEMBL62051 | 14645 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 346 | 10 | 2 | 5 | 3.9 | CCc1cc(CC)c(OCCCCCC(C)(C)c2nn[nH]n2)cc1O | 10.1016/0960-894X(95)00340-Y | |||
| 9977200 | 29376 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 360 | 11 | 2 | 5 | 4.3 | CCCc1cc(CC)c(OCCCCCC(C)(C)c2nn[nH]n2)cc1O | 10.1016/0960-894X(95)00340-Y | |||
| CHEMBL138370 | 29376 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 360 | 11 | 2 | 5 | 4.3 | CCCc1cc(CC)c(OCCCCCC(C)(C)c2nn[nH]n2)cc1O | 10.1016/0960-894X(95)00340-Y | |||
| CHEMBL60617 | 29376 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 360 | 11 | 2 | 5 | 4.3 | CCCc1cc(CC)c(OCCCCCC(C)(C)c2nn[nH]n2)cc1O | 10.1016/0960-894X(95)00340-Y | |||
| 21765772 | 110610 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 563 | 18 | 2 | 6 | 7.3 | COc1ccc(CCCCCCCCOc2ccc(CSCc3ccc(C(=O)O)cc3)nc2/C=C/C(=O)O)cc1 | 10.1021/jm00046a017 | |||
| CHEMBL325637 | 110610 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 563 | 18 | 2 | 6 | 7.3 | COc1ccc(CCCCCCCCOc2ccc(CSCc3ccc(C(=O)O)cc3)nc2/C=C/C(=O)O)cc1 | 10.1021/jm00046a017 | |||
| 10793277 | 31085 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 576 | 13 | 2 | 5 | 7.4 | CCCc1c(OCCCOc2cc(O)c(-c3ccc(F)cc3)cc2CC)cccc1[S+]([O-])c1ccccc1C(=O)O | 10.1021/jm00022a006 | |||
| CHEMBL139969 | 31085 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 576 | 13 | 2 | 5 | 7.4 | CCCc1c(OCCCOc2cc(O)c(-c3ccc(F)cc3)cc2CC)cccc1[S+]([O-])c1ccccc1C(=O)O | 10.1021/jm00022a006 | |||
| 6450158 | 187174 | 20 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 516 | 12 | 2 | 6 | 5.9 | COc1ccc(/C=C/CCCCOc2ccc3c(=O)c4cc(C(=O)O)ccc4oc3c2CCC(=O)O)cc1 | 10.1021/jm00064a006 | |||
| CHEMBL49210 | 187174 | 20 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 516 | 12 | 2 | 6 | 5.9 | COc1ccc(/C=C/CCCCOc2ccc3c(=O)c4cc(C(=O)O)ccc4oc3c2CCC(=O)O)cc1 | 10.1021/jm00064a006 | |||
| 15658112 | 63174 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 419 | 12 | 2 | 3 | 6.5 | CCCCCCCC[C@@H](O)c1ccc2ccc(CCc3cccc(C(=O)O)c3)nc2c1 | 10.1021/jm00074a012 | |||
| CHEMBL1788228 | 63174 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 419 | 12 | 2 | 3 | 6.5 | CCCCCCCC[C@@H](O)c1ccc2ccc(CCc3cccc(C(=O)O)c3)nc2c1 | 10.1021/jm00074a012 | |||
| CHEMBL1789864 | 63174 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 419 | 12 | 2 | 3 | 6.5 | CCCCCCCC[C@@H](O)c1ccc2ccc(CCc3cccc(C(=O)O)c3)nc2c1 | 10.1021/jm00074a012 | |||
| 15658139 | 14576 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 452 | 12 | 2 | 3 | 6.6 | CCCCCCCCC(O)c1ccc2ccc(C[S+]([O-])c3cccc(C(=O)O)c3)cc2c1 | 10.1021/jm00074a012 | |||
| CHEMBL115826 | 14576 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 452 | 12 | 2 | 3 | 6.6 | CCCCCCCCC(O)c1ccc2ccc(C[S+]([O-])c3cccc(C(=O)O)c3)cc2c1 | 10.1021/jm00074a012 | |||
| CHEMBL1204497 | 14576 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 452 | 12 | 2 | 3 | 6.6 | CCCCCCCCC(O)c1ccc2ccc(C[S+]([O-])c3cccc(C(=O)O)c3)cc2c1 | 10.1021/jm00074a012 | |||
| 18963028 | 14622 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 376 | 11 | 2 | 6 | 4.2 | CCc1cc(OC(C)C)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/S0960-894X(00)80453-9 | |||
| CHEMBL1205053 | 14622 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 376 | 11 | 2 | 6 | 4.2 | CCc1cc(OC(C)C)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/S0960-894X(00)80453-9 | |||
| CHEMBL47716 | 14622 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 376 | 11 | 2 | 6 | 4.2 | CCc1cc(OC(C)C)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/S0960-894X(00)80453-9 | |||
| 44382276 | 120316 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 412 | 5 | 1 | 5 | 5.1 | CC(Oc1ccc2c(c1)OC[C@H](Cc1cccnc1)[C@@H]2O)c1ccc2ccccc2n1 | 10.1016/0960-894X(95)00135-G | |||
| CHEMBL352814 | 120316 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 412 | 5 | 1 | 5 | 5.1 | CC(Oc1ccc2c(c1)OC[C@H](Cc1cccnc1)[C@@H]2O)c1ccc2ccccc2n1 | 10.1016/0960-894X(95)00135-G | |||
| 10371282 | 110613 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 595 | 18 | 2 | 7 | 6.0 | COc1ccc(CCCCCCCCOc2ccc(CS(=O)(=O)Cc3cccc(C(=O)O)c3)nc2/C=C/C(=O)O)cc1 | 10.1021/jm00046a017 | |||
| CHEMBL325643 | 110613 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 595 | 18 | 2 | 7 | 6.0 | COc1ccc(CCCCCCCCOc2ccc(CS(=O)(=O)Cc3cccc(C(=O)O)c3)nc2/C=C/C(=O)O)cc1 | 10.1021/jm00046a017 | |||
| 20704716 | 184725 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 488 | 5 | 1 | 9 | 2.4 | CN1C(=N)N(C)/C(=N/c2nc(Cc3ccc4c(c3)OCO4)c(Cc3ccc4c(c3)OCO4)n2C)C1=O | 10.1021/np50100a005 | |||
| CHEMBL485054 | 184725 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 488 | 5 | 1 | 9 | 2.4 | CN1C(=N)N(C)/C(=N/c2nc(Cc3ccc4c(c3)OCO4)c(Cc3ccc4c(c3)OCO4)n2C)C1=O | 10.1021/np50100a005 | |||
| 10159791 | 58008 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 408 | 10 | 2 | 5 | 5.4 | CCc1cc(-c2ccccc2C)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/S0960-894X(01)80850-7 | |||
| CHEMBL167261 | 58008 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 408 | 10 | 2 | 5 | 5.4 | CCc1cc(-c2ccccc2C)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/S0960-894X(01)80850-7 | |||
| 10046307 | 14796 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 374 | 12 | 2 | 5 | 4.7 | CCCCc1cc(CC)c(OCCCCCC(C)(C)c2nn[nH]n2)cc1O | 10.1016/0960-894X(95)00340-Y | |||
| CHEMBL1206771 | 14796 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 374 | 12 | 2 | 5 | 4.7 | CCCCc1cc(CC)c(OCCCCCC(C)(C)c2nn[nH]n2)cc1O | 10.1016/0960-894X(95)00340-Y | |||
| CHEMBL305560 | 14796 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 374 | 12 | 2 | 5 | 4.7 | CCCCc1cc(CC)c(OCCCCCC(C)(C)c2nn[nH]n2)cc1O | 10.1016/0960-894X(95)00340-Y | |||
| 19427041 | 14643 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 534 | 14 | 3 | 7 | 5.0 | CCc1cc(C(C)=O)c(O)cc1OCCCOc1ccc(C(=O)c2cccc(C(=O)O)c2)cc1CCC(=O)O | 10.1016/S0960-894X(01)80999-9 | |||
| CHEMBL1205171 | 14643 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 534 | 14 | 3 | 7 | 5.0 | CCc1cc(C(C)=O)c(O)cc1OCCCOc1ccc(C(=O)c2cccc(C(=O)O)c2)cc1CCC(=O)O | 10.1016/S0960-894X(01)80999-9 | |||
| CHEMBL60881 | 14643 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 534 | 14 | 3 | 7 | 5.0 | CCc1cc(C(C)=O)c(O)cc1OCCCOc1ccc(C(=O)c2cccc(C(=O)O)c2)cc1CCC(=O)O | 10.1016/S0960-894X(01)80999-9 | |||
| 15658149 | 14571 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 413 | 14 | 3 | 4 | 5.1 | CCCCCCCCC(O)CCc1cccc(CC(O)c2cccc(C(=O)O)c2)n1 | 10.1021/jm00074a012 | |||
| CHEMBL111811 | 14571 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 413 | 14 | 3 | 4 | 5.1 | CCCCCCCCC(O)CCc1cccc(CC(O)c2cccc(C(=O)O)c2)n1 | 10.1021/jm00074a012 | |||
| CHEMBL1204492 | 14571 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 413 | 14 | 3 | 4 | 5.1 | CCCCCCCCC(O)CCc1cccc(CC(O)c2cccc(C(=O)O)c2)n1 | 10.1021/jm00074a012 | |||
| 15658119 | 9811 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 437 | 12 | 2 | 4 | 7.0 | CCCCCCCCC(O)c1ccc2ccc(CSc3cccc(C(=O)O)c3)nc2c1 | 10.1021/jm00074a012 | |||
| CHEMBL113792 | 9811 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 437 | 12 | 2 | 4 | 7.0 | CCCCCCCCC(O)c1ccc2ccc(CSc3cccc(C(=O)O)c3)nc2c1 | 10.1021/jm00074a012 | |||
| 14977948 | 9592 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 660 | 19 | 2 | 7 | 8.2 | COc1ccc(CCCCCCCCOc2ccc(CSc3cccc(NS(=O)(=O)c4ccccc4)c3)nc2/C=C/C(=O)O)cc1 | 10.1021/jm00074a013 | |||
| CHEMBL112510 | 9592 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 660 | 19 | 2 | 7 | 8.2 | COc1ccc(CCCCCCCCOc2ccc(CSc3cccc(NS(=O)(=O)c4ccccc4)c3)nc2/C=C/C(=O)O)cc1 | 10.1021/jm00074a013 | |||
| 9845587 | 165629 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 408 | 10 | 2 | 5 | 5.4 | CCc1cc(-c2cccc(C)c2)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/S0960-894X(01)80850-7 | |||
| CHEMBL424361 | 165629 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 408 | 10 | 2 | 5 | 5.4 | CCc1cc(-c2cccc(C)c2)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/S0960-894X(01)80850-7 | |||
| 10670634 | 57676 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 437 | 11 | 2 | 6 | 5.1 | CCc1cc(-c2ccc(N(C)C)cc2)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/S0960-894X(01)80850-7 | |||
| CHEMBL166862 | 57676 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 437 | 11 | 2 | 6 | 5.1 | CCc1cc(-c2ccc(N(C)C)cc2)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/S0960-894X(01)80850-7 | |||
| 122023 | 50795 | 60 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 360 | 10 | 2 | 6 | 3.6 | CCc1cc(C(C)=O)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/0960-894X(95)00340-Y | |||
| CHEMBL15766 | 50795 | 60 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 360 | 10 | 2 | 6 | 3.6 | CCc1cc(C(C)=O)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/0960-894X(95)00340-Y | |||
| CHEMBL45460 | 50795 | 60 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 360 | 10 | 2 | 6 | 3.6 | CCc1cc(C(C)=O)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/0960-894X(95)00340-Y | |||
| 10600128 | 58110 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 462 | 10 | 2 | 5 | 6.1 | CCc1cc(-c2cccc(C(F)(F)F)c2)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/S0960-894X(01)80850-7 | |||
| CHEMBL167580 | 58110 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 462 | 10 | 2 | 5 | 6.1 | CCc1cc(-c2cccc(C(F)(F)F)c2)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/S0960-894X(01)80850-7 | |||
| 6435820 | 165016 | 6 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 563 | 18 | 2 | 6 | 7.3 | COc1ccc(CCCCCCCCOc2ccc(CSCc3cccc(C(=O)O)c3)nc2/C=C/C(=O)O)cc1 | 10.1021/jm00070a015 | |||
| CHEMBL422598 | 165016 | 6 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 563 | 18 | 2 | 6 | 7.3 | COc1ccc(CCCCCCCCOc2ccc(CSCc3cccc(C(=O)O)c3)nc2/C=C/C(=O)O)cc1 | 10.1021/jm00070a015 | |||
| 6435820 | 165016 | 6 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 563 | 18 | 2 | 6 | 7.3 | COc1ccc(CCCCCCCCOc2ccc(CSCc3cccc(C(=O)O)c3)nc2/C=C/C(=O)O)cc1 | 10.1021/jm00046a017 | |||
| CHEMBL422598 | 165016 | 6 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 563 | 18 | 2 | 6 | 7.3 | COc1ccc(CCCCCCCCOc2ccc(CSCc3cccc(C(=O)O)c3)nc2/C=C/C(=O)O)cc1 | 10.1021/jm00046a017 | |||
| 6435820 | 165016 | 6 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 563 | 18 | 2 | 6 | 7.3 | COc1ccc(CCCCCCCCOc2ccc(CSCc3cccc(C(=O)O)c3)nc2/C=C/C(=O)O)cc1 | 10.1021/jm960088k | |||
| CHEMBL422598 | 165016 | 6 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 563 | 18 | 2 | 6 | 7.3 | COc1ccc(CCCCCCCCOc2ccc(CSCc3cccc(C(=O)O)c3)nc2/C=C/C(=O)O)cc1 | 10.1021/jm960088k | |||
| 6435820 | 165016 | 6 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 563 | 18 | 2 | 6 | 7.3 | COc1ccc(CCCCCCCCOc2ccc(CSCc3cccc(C(=O)O)c3)nc2/C=C/C(=O)O)cc1 | 10.1021/jm960248s | |||
| CHEMBL422598 | 165016 | 6 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 563 | 18 | 2 | 6 | 7.3 | COc1ccc(CCCCCCCCOc2ccc(CSCc3cccc(C(=O)O)c3)nc2/C=C/C(=O)O)cc1 | 10.1021/jm960248s | |||
| 6444688 | 187320 | 35 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 502 | 14 | 2 | 5 | 5.9 | COc1ccc(/C=C/CCCCOc2ccc(C(=O)c3cccc(C(=O)O)c3)cc2CCC(=O)O)cc1 | 10.1016/S0960-894X(01)80999-9 | |||
| CHEMBL49302 | 187320 | 35 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 502 | 14 | 2 | 5 | 5.9 | COc1ccc(/C=C/CCCCOc2ccc(C(=O)c3cccc(C(=O)O)c3)cc2CCC(=O)O)cc1 | 10.1016/S0960-894X(01)80999-9 | |||
| 6852392 | 17270 | 4 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 361 | 14 | 3 | 4 | 4.0 | CCCCC/C=C\C[C@H](O)/C=C/c1cccc(C[C@H](O)CCCCO)n1 | 10.1021/jm00074a012 | |||
| CHEMBL1256923 | 17270 | 4 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 361 | 14 | 3 | 4 | 4.0 | CCCCC/C=C\C[C@H](O)/C=C/c1cccc(C[C@H](O)CCCCO)n1 | 10.1021/jm00074a012 | |||
| 14977943 | 114962 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 592 | 17 | 3 | 7 | 6.5 | COc1ccc(CCCCCCCCOc2ccc(CSc3cccc(NC(=O)C(=O)O)c3)nc2/C=C/C(=O)O)cc1 | 10.1021/jm00074a013 | |||
| CHEMBL334267 | 114962 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 592 | 17 | 3 | 7 | 6.5 | COc1ccc(CCCCCCCCOc2ccc(CSc3cccc(NC(=O)C(=O)O)c3)nc2/C=C/C(=O)O)cc1 | 10.1021/jm00074a013 | |||
| 14977939 | 96717 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 505 | 16 | 1 | 5 | 7.4 | COc1ccc(CCCCCCCCOc2ccc(CSc3ccccc3)nc2/C=C/C(=O)O)cc1 | 10.1021/jm00074a013 | |||
| CHEMBL264197 | 96717 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 505 | 16 | 1 | 5 | 7.4 | COc1ccc(CCCCCCCCOc2ccc(CSc3ccccc3)nc2/C=C/C(=O)O)cc1 | 10.1021/jm00074a013 | |||
| 15839736 | 14640 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 476 | 9 | 2 | 7 | 5.0 | CCc1cc(C(C)=O)c(O)cc1OCCCOc1ccc2c(=O)c3cc(C(=O)O)ccc3oc2c1 | 10.1016/S0960-894X(01)80999-9 | |||
| CHEMBL1205143 | 14640 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 476 | 9 | 2 | 7 | 5.0 | CCc1cc(C(C)=O)c(O)cc1OCCCOc1ccc2c(=O)c3cc(C(=O)O)ccc3oc2c1 | 10.1016/S0960-894X(01)80999-9 | |||
| CHEMBL58534 | 14640 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 476 | 9 | 2 | 7 | 5.0 | CCc1cc(C(C)=O)c(O)cc1OCCCOc1ccc2c(=O)c3cc(C(=O)O)ccc3oc2c1 | 10.1016/S0960-894X(01)80999-9 | |||
| 122023 | 50795 | 60 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 360 | 10 | 2 | 6 | 3.6 | CCc1cc(C(C)=O)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/S0960-894X(01)80999-9 | |||
| CHEMBL15766 | 50795 | 60 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 360 | 10 | 2 | 6 | 3.6 | CCc1cc(C(C)=O)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/S0960-894X(01)80999-9 | |||
| CHEMBL45460 | 50795 | 60 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 360 | 10 | 2 | 6 | 3.6 | CCc1cc(C(C)=O)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/S0960-894X(01)80999-9 | |||
| 122023 | 50795 | 60 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 360 | 10 | 2 | 6 | 3.6 | CCc1cc(C(C)=O)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/S0960-894X(00)80304-2 | |||
| CHEMBL15766 | 50795 | 60 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 360 | 10 | 2 | 6 | 3.6 | CCc1cc(C(C)=O)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/S0960-894X(00)80304-2 | |||
| CHEMBL45460 | 50795 | 60 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 360 | 10 | 2 | 6 | 3.6 | CCc1cc(C(C)=O)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/S0960-894X(00)80304-2 | |||
| 122023 | 50795 | 60 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 360 | 10 | 2 | 6 | 3.6 | CCc1cc(C(C)=O)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/S0960-894X(00)80453-9 | |||
| CHEMBL15766 | 50795 | 60 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 360 | 10 | 2 | 6 | 3.6 | CCc1cc(C(C)=O)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/S0960-894X(00)80453-9 | |||
| CHEMBL45460 | 50795 | 60 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 360 | 10 | 2 | 6 | 3.6 | CCc1cc(C(C)=O)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/S0960-894X(00)80453-9 | |||
| 14977955 | 9576 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 548 | 17 | 1 | 6 | 7.5 | COc1ccc(CCCCCCCCOc2ccc(CSc3cccc(N(C)C)c3)nc2/C=C/C(=O)O)cc1 | 10.1021/jm00074a013 | |||
| CHEMBL112455 | 9576 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 548 | 17 | 1 | 6 | 7.5 | COc1ccc(CCCCCCCCOc2ccc(CSc3cccc(N(C)C)c3)nc2/C=C/C(=O)O)cc1 | 10.1021/jm00074a013 | |||
| 10257351 | 110642 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 565 | 19 | 2 | 6 | 7.2 | COc1ccc(CCCCCCCCOc2ccc(CSCc3cccc(C(=O)O)c3)nc2CCC(=O)O)cc1 | 10.1021/jm00046a017 | |||
| CHEMBL325773 | 110642 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 565 | 19 | 2 | 6 | 7.2 | COc1ccc(CCCCCCCCOc2ccc(CSCc3cccc(C(=O)O)c3)nc2CCC(=O)O)cc1 | 10.1021/jm00046a017 | |||
| 9959228 | 10075 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 549 | 17 | 2 | 6 | 7.1 | COc1ccc(CCCCCCCCOc2ccc(CSc3cccc(C(=O)O)c3)nc2/C=C/C(=O)O)cc1 | 10.1021/jm00046a017 | |||
| CHEMBL115362 | 10075 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 549 | 17 | 2 | 6 | 7.1 | COc1ccc(CCCCCCCCOc2ccc(CSc3cccc(C(=O)O)c3)nc2/C=C/C(=O)O)cc1 | 10.1021/jm00046a017 | |||
| 9959228 | 10075 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 549 | 17 | 2 | 6 | 7.1 | COc1ccc(CCCCCCCCOc2ccc(CSc3cccc(C(=O)O)c3)nc2/C=C/C(=O)O)cc1 | 10.1021/jm00074a013 | |||
| CHEMBL115362 | 10075 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 549 | 17 | 2 | 6 | 7.1 | COc1ccc(CCCCCCCCOc2ccc(CSc3cccc(C(=O)O)c3)nc2/C=C/C(=O)O)cc1 | 10.1021/jm00074a013 | |||
| 18963062 | 14782 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 404 | 13 | 2 | 6 | 4.8 | CCc1cc(OCCC(C)C)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/S0960-894X(00)80453-9 | |||
| CHEMBL1206683 | 14782 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 404 | 13 | 2 | 6 | 4.8 | CCc1cc(OCCC(C)C)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/S0960-894X(00)80453-9 | |||
| CHEMBL295799 | 14782 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 404 | 13 | 2 | 6 | 4.8 | CCc1cc(OCCC(C)C)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 | 10.1016/S0960-894X(00)80453-9 | |||
| 10346127 | 9678 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 507 | 14 | 2 | 6 | 5.7 | COc1ccc(CCCCOc2ccc(CSCc3cccc(C(=O)O)c3)nc2/C=C/C(=O)O)cc1 | 10.1021/jm00046a017 | |||
| CHEMBL112972 | 9678 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 507 | 14 | 2 | 6 | 5.7 | COc1ccc(CCCCOc2ccc(CSCc3cccc(C(=O)O)c3)nc2/C=C/C(=O)O)cc1 | 10.1021/jm00046a017 | |||
| 15658097 | 9735 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 401 | 14 | 3 | 4 | 5.2 | CCCCCCCCC(O)c1ccc2ccc(CC(O)CCCC(=O)O)nc2c1 | 10.1021/jm00074a012 | |||
| CHEMBL113351 | 9735 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 401 | 14 | 3 | 4 | 5.2 | CCCCCCCCC(O)c1ccc2ccc(CC(O)CCCC(=O)O)nc2c1 | 10.1021/jm00074a012 | |||
| 44341265 | 10405 | 0 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 263 | 4 | 2 | 2 | 3.2 | Nc1nc(Cc2ccccc2)c(Cc2ccccc2)[nH]1 | 10.1021/jm00074a014 | |||
| CHEMBL116278 | 10405 | 0 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 263 | 4 | 2 | 2 | 3.2 | Nc1nc(Cc2ccccc2)c(Cc2ccccc2)[nH]1 | 10.1021/jm00074a014 | |||
| 15658135 | 14573 | 0 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 436 | 12 | 2 | 3 | 7.6 | CCCCCCCCC(O)c1ccc2ccc(CSc3cccc(C(=O)O)c3)cc2c1 | 10.1021/jm00074a012 | |||
| CHEMBL113401 | 14573 | 0 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 436 | 12 | 2 | 3 | 7.6 | CCCCCCCCC(O)c1ccc2ccc(CSc3cccc(C(=O)O)c3)cc2c1 | 10.1021/jm00074a012 | |||
| CHEMBL1204494 | 14573 | 0 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 436 | 12 | 2 | 3 | 7.6 | CCCCCCCCC(O)c1ccc2ccc(CSc3cccc(C(=O)O)c3)cc2c1 | 10.1021/jm00074a012 | |||
| None | 216197 | 0 | 3H-LTB4 | 3 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 336 | 14 | 3 | 3 | 4.2 | CCCCCC=CCC(C=CC=CC=CC(CCCC(=O)O)O)O | None | |||
| None | 216200 | 0 | 3H-LTB4 | -6 | 2 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 318 | 14 | 1 | 2 | 5.4 | CCCCCC=CCC(=O)C=CC=CCC=CCCCC(=O)O | None | |||
| None | 216202 | 0 | 3H-LTB4 | 1 | 2 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 318 | 14 | 1 | 2 | 5.4 | CCCCCC=CCC=CCC=CC=CC(=O)CCCC(=O)O | None | |||
| None | 216203 | 0 | 3H-LTB4 | -1 | 2 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 320 | 14 | 2 | 2 | 5.2 | CCCCCC=CCC=CCC=CC=CC(CCCC(=O)O)O | None | |||
| None | 216206 | 0 | 3H-LTB4 | 1 | 2 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 302 | 12 | 1 | 1 | 5.7 | CCCCCC=CCC=CCC=CCC#CCCCC(=O)O | None | |||
| None | 216199 | 0 | 3H-LTB4 | -57 | 2 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 320 | 14 | 2 | 2 | 5.2 | CCCCCC(C=CC=CCC=CCC=CCCCC(=O)O)O | None | |||
| None | 216203 | 0 | 3H-LTB4 | -1 | 2 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 320 | 14 | 2 | 2 | 5.2 | CCCCCC=CCC=CCC=CC=CC(CCCC(=O)O)O | None | |||
| None | 216204 | 0 | 3H-LTB4 | -10 | 2 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 320 | 15 | 2 | 2 | 5.2 | C(CCC=CCC=CCC=CCC=CCCCC(=O)O)CCO | None | |||
| None | 216205 | 0 | 3H-LTB4 | -10 | 2 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 320 | 14 | 2 | 2 | 5.2 | CCCCCC=CCC=CC=CC(CC=CCCCC(=O)O)O | None | |||
| None | 216208 | 0 | 3H-LTB4 | -4365 | 4 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 473 | 7 | 2 | 3 | 7.9 | CC(C)(C1=CC=CC=C1CCC(C2=CC=CC(=C2)C=CC3=NC4=C(C=CC(=C4)Cl)C=C3)S)O | None | |||
| None | 216213 | 0 | 3H-LTB4 | 1 | 2 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 332 | 13 | 0 | 3 | 5.3 | CCCCCC=CCC=CC=CC=CC1C(O1)CCCC(=O)OC | None | |||
| 132191096 | 216207 | 0 | 3H-LTB4 | -1 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 352 | 14 | 4 | 4 | 3.1 | CCCCCC(C=CC=CC=CC=CC(C(CCCC(=O)O)O)O)O | None | |||
| None | 216209 | 0 | 3H-LTB4 | 4 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 625 | 25 | 7 | 8 | 2.8 | CCCCCC=CCC=CC=CC=CC(C(CCCC(=O)O)O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N | None | |||
| None | 216211 | 0 | 3H-LTB4 | 2 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 439 | 18 | 4 | 5 | 4.3 | CCCCCC=CCC=CC=CC=CC(C(CCCC(=O)O)O)SCC(C(=O)O)N | None | |||
| None | 216201 | 0 | 3H-LTB4 | 218 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 361 | 14 | 3 | 4 | 4.0 | CCCCCC=CCC(C=CC1=NC(=CC=C1)CC(CCCCO)O)O | None | |||
| None | 216198 | 0 | 3H-LTB4 | 2 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 334 | 13 | 3 | 3 | 3.9 | CCC=CCC=CCC(C=CC=CC=CC(CCCC(=O)O)O)O | None | |||
| None | 216210 | 0 | 3H-LTB4 | 2 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 496 | 20 | 5 | 6 | 3.4 | CCCCCC=CCC=CC=CC=CC(C(CCCC(=O)O)O)SCC(C(=O)NCC(=O)O)N | None | |||
| None | 216212 | 0 | 3H-LTB4 | 1 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 568 | 23 | 6 | 7 | 3.7 | CCCCCC=CCC=CC=CC=CC(C(CCCC(=O)O)O)SCC(C(=O)O)NC(=O)CCC(C(=O)O)N | None | |||
| 2855 | 4132 | 104 | 3H-LTB4 | -147 | 6 | Human | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 575 | 8 | 2 | 7 | 5.7 | COc1cc(ccc1Cc1cn(c2c1cc(cc2)NC(=O)OC1CCCC1)C)C(=O)NS(=O)(=O)c1ccccc1C | None | |||
| 3322 | 4132 | 104 | 3H-LTB4 | -147 | 6 | Human | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 575 | 8 | 2 | 7 | 5.7 | COc1cc(ccc1Cc1cn(c2c1cc(cc2)NC(=O)OC1CCCC1)C)C(=O)NS(=O)(=O)c1ccccc1C | None | |||
| 5717 | 4132 | 104 | 3H-LTB4 | -147 | 6 | Human | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 575 | 8 | 2 | 7 | 5.7 | COc1cc(ccc1Cc1cn(c2c1cc(cc2)NC(=O)OC1CCCC1)C)C(=O)NS(=O)(=O)c1ccccc1C | None | |||
| CHEMBL603 | 4132 | 104 | 3H-LTB4 | -147 | 6 | Human | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 575 | 8 | 2 | 7 | 5.7 | COc1cc(ccc1Cc1cn(c2c1cc(cc2)NC(=O)OC1CCCC1)C)C(=O)NS(=O)(=O)c1ccccc1C | None | |||
| DB00549 | 4132 | 104 | 3H-LTB4 | -147 | 6 | Human | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 575 | 8 | 2 | 7 | 5.7 | COc1cc(ccc1Cc1cn(c2c1cc(cc2)NC(=O)OC1CCCC1)C)C(=O)NS(=O)(=O)c1ccccc1C | None | |||
| 3325 | 3904 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | Guide to Pharmacology | 361 | 14 | 3 | 4 | 4.0 | CCCCC/C=C\C[C@H](/C=C/c1cccc(n1)C[C@H](CCCCO)O)O | 10513580 | |||
| 6449854 | 3904 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | Guide to Pharmacology | 361 | 14 | 3 | 4 | 4.0 | CCCCC/C=C\C[C@H](/C=C/c1cccc(n1)C[C@H](CCCCO)O)O | 10513580 | |||
| 3351 | 2402 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | Guide to Pharmacology | 360 | 10 | 2 | 6 | 3.6 | CCc1c(OCCCCCC(c2nnn[nH]2)(C)C)cc(cc1C(=O)C)O | 1659282 | |||
| 35025716 | 2402 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | Guide to Pharmacology | 360 | 10 | 2 | 6 | 3.6 | CCc1c(OCCCCCC(c2nnn[nH]2)(C)C)cc(cc1C(=O)C)O | 1659282 | |||
| 3405 | 11 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 320 | 14 | 2 | 2 | 5.2 | CCCCC/C=C\C[C@H](/C=C/C=C\C/C=C\CCCC(=O)O)O | 9177352 | |||
| 5283156 | 11 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 320 | 14 | 2 | 2 | 5.2 | CCCCC/C=C\C[C@H](/C=C/C=C\C/C=C\CCCC(=O)O)O | 9177352 | |||
| CHEMBL1435825 | 11 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 320 | 14 | 2 | 2 | 5.2 | CCCCC/C=C\C[C@H](/C=C/C=C\C/C=C\CCCC(=O)O)O | 9177352 | |||
| 177941 | 1588 | 50 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 544 | 13 | 2 | 5 | 8.1 | CCCc1c(OCCCOc2cc(O)c(cc2CC)c2ccc(cc2)F)cccc1Oc1ccccc1C(=O)O | 9862783 | |||
| 2948 | 1588 | 50 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 544 | 13 | 2 | 5 | 8.1 | CCCc1c(OCCCOc2cc(O)c(cc2CC)c2ccc(cc2)F)cccc1Oc1ccccc1C(=O)O | 9862783 | |||
| CHEMBL329123 | 1588 | 50 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 544 | 13 | 2 | 5 | 8.1 | CCCc1c(OCCCOc2cc(O)c(cc2CC)c2ccc(cc2)F)cccc1Oc1ccccc1C(=O)O | 9862783 | |||
| DB12850 | 1588 | 50 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 544 | 13 | 2 | 5 | 8.1 | CCCc1c(OCCCOc2cc(O)c(cc2CC)c2ccc(cc2)F)cccc1Oc1ccccc1C(=O)O | 9862783 | |||
| 114999 | 3538 | 21 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 484 | 13 | 1 | 6 | 5.4 | CCCc1c(OCCCOc2ccc(c(c2CCC)OC)C(=O)C)ccc2c1OC(CC2)C(=O)O | 7786309 | |||
| 6156 | 3538 | 21 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 484 | 13 | 1 | 6 | 5.4 | CCCc1c(OCCCOc2ccc(c(c2CCC)OC)C(=O)C)ccc2c1OC(CC2)C(=O)O | 7786309 | |||
| CHEMBL14823 | 3538 | 21 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 484 | 13 | 1 | 6 | 5.4 | CCCc1c(OCCCOc2ccc(c(c2CCC)OC)C(=O)C)ccc2c1OC(CC2)C(=O)O | 7786309 | |||
| 3399 | 41 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | Guide to Pharmacology | 352 | 15 | 4 | 4 | 3.1 | OCCCCC/C=C\C[C@H](/C=C/C=C/C=C\[C@H](CCCC(=O)O)O)O | 9177352 | |||
| 5280745 | 41 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | Guide to Pharmacology | 352 | 15 | 4 | 4 | 3.1 | OCCCCC/C=C\C[C@H](/C=C/C=C/C=C\[C@H](CCCC(=O)O)O)O | 9177352 | |||
| CHEMBL1593789 | 41 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | Guide to Pharmacology | 352 | 15 | 4 | 4 | 3.1 | OCCCCC/C=C\C[C@H](/C=C/C=C/C=C\[C@H](CCCC(=O)O)O)O | 9177352 | |||
| 6155 | 1176 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 428 | 4 | 2 | 3 | 5.4 | O[C@@H]1[C@H](COc2c1ccc(c2)c1cc(ccc1C(=O)O)C(F)(F)F)Cc1ccccc1 | 9618393 | |||
| 9823886 | 1176 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 428 | 4 | 2 | 3 | 5.4 | O[C@@H]1[C@H](COc2c1ccc(c2)c1cc(ccc1C(=O)O)C(F)(F)F)Cc1ccccc1 | 9618393 | |||
| CHEMBL301829 | 1176 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 428 | 4 | 2 | 3 | 5.4 | O[C@@H]1[C@H](COc2c1ccc(c2)c1cc(ccc1C(=O)O)C(F)(F)F)Cc1ccccc1 | 9618393 | |||
| DB13053 | 1176 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 428 | 4 | 2 | 3 | 5.4 | O[C@@H]1[C@H](COc2c1ccc(c2)c1cc(ccc1C(=O)O)C(F)(F)F)Cc1ccccc1 | 9618393 | |||
| 6157 | 2934 | 20 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 470 | 17 | 2 | 5 | 5.6 | COc1ccc(cc1)/C=C/CCCCOc1cccc(c1CCC(=O)O)OCCCCC(=O)O | 1332129 | |||
| 6438358 | 2934 | 20 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 470 | 17 | 2 | 5 | 5.6 | COc1ccc(cc1)/C=C/CCCCOc1cccc(c1CCC(=O)O)OCCCCC(=O)O | 1332129 | |||
| CHEMBL422420 | 2934 | 20 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 470 | 17 | 2 | 5 | 5.6 | COc1ccc(cc1)/C=C/CCCCOc1cccc(c1CCC(=O)O)OCCCCC(=O)O | 1332129 | |||
| 6154 | 634 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 466 | 9 | 3 | 4 | 6.2 | Oc1ccc(cc1)C(c1ccc(cc1)OCc1cccc(c1)COc1ccc(cc1)C(=N)N)(C)C | 11259574 | |||
| 6154 | 634 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 466 | 9 | 3 | 4 | 6.2 | Oc1ccc(cc1)C(c1ccc(cc1)OCc1cccc(c1)COc1ccc(cc1)C(=N)N)(C)C | 17170051 | |||
| 9956189 | 634 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 466 | 9 | 3 | 4 | 6.2 | Oc1ccc(cc1)C(c1ccc(cc1)OCc1cccc(c1)COc1ccc(cc1)C(=N)N)(C)C | 11259574 | |||
| 9956189 | 634 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 466 | 9 | 3 | 4 | 6.2 | Oc1ccc(cc1)C(c1ccc(cc1)OCc1cccc(c1)COc1ccc(cc1)C(=N)N)(C)C | 17170051 | |||
| 2487 | 2368 | 36 | None | 31 | 2 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | 336 | 14 | 3 | 3 | 4.2 | CCCCC/C=C\C[C@H](/C=C/C=C/C=C\[C@H](CCCC(=O)O)O)O | None | |||
| 5280492 | 2368 | 36 | None | 31 | 2 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | 336 | 14 | 3 | 3 | 4.2 | CCCCC/C=C\C[C@H](/C=C/C=C/C=C\[C@H](CCCC(=O)O)O)O | None | |||
| CHEMBL65061 | 2368 | 36 | None | 31 | 2 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | 336 | 14 | 3 | 3 | 4.2 | CCCCC/C=C\C[C@H](/C=C/C=C/C=C\[C@H](CCCC(=O)O)O)O | None | |||
| DB12961 | 2368 | 36 | None | 31 | 2 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | 336 | 14 | 3 | 3 | 4.2 | CCCCC/C=C\C[C@H](/C=C/C=C/C=C\[C@H](CCCC(=O)O)O)O | None | |||
| 2855 | 4132 | 104 | None | -147 | 6 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 575 | 8 | 2 | 7 | 5.7 | COc1cc(ccc1Cc1cn(c2c1cc(cc2)NC(=O)OC1CCCC1)C)C(=O)NS(=O)(=O)c1ccccc1C | None | |||
| 3322 | 4132 | 104 | None | -147 | 6 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 575 | 8 | 2 | 7 | 5.7 | COc1cc(ccc1Cc1cn(c2c1cc(cc2)NC(=O)OC1CCCC1)C)C(=O)NS(=O)(=O)c1ccccc1C | None | |||
| 5717 | 4132 | 104 | None | -147 | 6 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 575 | 8 | 2 | 7 | 5.7 | COc1cc(ccc1Cc1cn(c2c1cc(cc2)NC(=O)OC1CCCC1)C)C(=O)NS(=O)(=O)c1ccccc1C | None | |||
| CHEMBL603 | 4132 | 104 | None | -147 | 6 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 575 | 8 | 2 | 7 | 5.7 | COc1cc(ccc1Cc1cn(c2c1cc(cc2)NC(=O)OC1CCCC1)C)C(=O)NS(=O)(=O)c1ccccc1C | None | |||
| DB00549 | 4132 | 104 | None | -147 | 6 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 575 | 8 | 2 | 7 | 5.7 | COc1cc(ccc1Cc1cn(c2c1cc(cc2)NC(=O)OC1CCCC1)C)C(=O)NS(=O)(=O)c1ccccc1C | None | |||