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 |
| 145971909 | 164700 | 0 | None | 11 | 3 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | 411 | 11 | 2 | 6 | 4.8 | CCCC[C@](C)(O)C/C=C/[C@H]1CCC(=O)[C@@H]1CCSc1nc(C(=O)O)cs1 | 10.1016/j.bmc.2017.11.035 | ||
| CHEMBL4217198 | 164700 | 0 | None | 11 | 3 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | 411 | 11 | 2 | 6 | 4.8 | CCCC[C@](C)(O)C/C=C/[C@H]1CCC(=O)[C@@H]1CCSc1nc(C(=O)O)cs1 | 10.1016/j.bmc.2017.11.035 | ||
| 66978356 | 163708 | 0 | None | 10 | 3 | Human | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | 425 | 12 | 2 | 6 | 5.2 | CCCCC[C@](C)(O)C/C=C/[C@H]1CCC(=O)[C@@H]1CCSc1nc(C(=O)O)cs1 | 10.1016/j.bmc.2017.11.035 | ||
| CHEMBL4204996 | 163708 | 0 | None | 10 | 3 | Human | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | 425 | 12 | 2 | 6 | 5.2 | CCCCC[C@](C)(O)C/C=C/[C@H]1CCC(=O)[C@@H]1CCSc1nc(C(=O)O)cs1 | 10.1016/j.bmc.2017.11.035 | ||
| 127027876 | 139476 | 0 | None | - | 1 | Human | 10.0 | pEC50 | = | 10.0 | Functional | ChEMBL | 477 | 5 | 2 | 6 | 4.8 | O=C(O)c1csc([C@H]2CC[C@H]3[C@H](C[C@@H](O)[C@@H]3COc3ccc(Cl)c(C(F)(F)F)c3)O2)n1 | 10.1016/j.bmcl.2016.03.110 | ||
| CHEMBL3794302 | 139476 | 0 | None | - | 1 | Human | 10.0 | pEC50 | = | 10.0 | Functional | ChEMBL | 477 | 5 | 2 | 6 | 4.8 | O=C(O)c1csc([C@H]2CC[C@H]3[C@H](C[C@@H](O)[C@@H]3COc3ccc(Cl)c(C(F)(F)F)c3)O2)n1 | 10.1016/j.bmcl.2016.03.110 | ||
| 145978309 | 163752 | 0 | None | 27 | 3 | Human | 10.0 | pEC50 | = | 10.0 | Functional | ChEMBL | 429 | 12 | 2 | 6 | 4.8 | C[C@@](O)(C/C=C/[C@H]1CCC(=O)[C@@H]1CCSc1nc(C(=O)O)cs1)CCCCF | 10.1016/j.bmc.2017.11.035 | ||
| CHEMBL4205480 | 163752 | 0 | None | 27 | 3 | Human | 10.0 | pEC50 | = | 10.0 | Functional | ChEMBL | 429 | 12 | 2 | 6 | 4.8 | C[C@@](O)(C/C=C/[C@H]1CCC(=O)[C@@H]1CCSc1nc(C(=O)O)cs1)CCCCF | 10.1016/j.bmc.2017.11.035 | ||
| 127029692 | 139404 | 0 | None | - | 1 | Human | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | 423 | 5 | 2 | 6 | 4.1 | Cc1cc(OC[C@H]2[C@@H](O)C[C@@H]3O[C@@H](c4nc(C(=O)O)cs4)CC[C@@H]32)ccc1Cl | 10.1016/j.bmcl.2016.03.110 | ||
| CHEMBL3793515 | 139404 | 0 | None | - | 1 | Human | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | 423 | 5 | 2 | 6 | 4.1 | Cc1cc(OC[C@H]2[C@@H](O)C[C@@H]3O[C@@H](c4nc(C(=O)O)cs4)CC[C@@H]32)ccc1Cl | 10.1016/j.bmcl.2016.03.110 | ||
| 11855868 | 152544 | 0 | None | 24 | 3 | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | 429 | 11 | 2 | 4 | 5.6 | CCCCCC(O)c1ccc(N2C(=O)CC[C@@H]2CCCc2ccc(C(=O)O)s2)cc1 | nan | ||
| CHEMBL3971632 | 152544 | 0 | None | 24 | 3 | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | 429 | 11 | 2 | 4 | 5.6 | CCCCCC(O)c1ccc(N2C(=O)CC[C@@H]2CCCc2ccc(C(=O)O)s2)cc1 | nan | ||
| 11855865 | 153277 | 0 | None | 35 | 3 | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | 445 | 12 | 2 | 5 | 5.2 | CCCCCCC(O)c1ccc(N2C(=O)CC[C@@H]2COCc2ccc(C(=O)O)s2)cc1 | nan | ||
| CHEMBL3977724 | 153277 | 0 | None | 35 | 3 | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | 445 | 12 | 2 | 5 | 5.2 | CCCCCCC(O)c1ccc(N2C(=O)CC[C@@H]2COCc2ccc(C(=O)O)s2)cc1 | nan | ||
| 127026955 | 139450 | 0 | None | - | 1 | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | 437 | 5 | 2 | 6 | 4.4 | Cc1cc(OC[C@H]2[C@H](O)C[C@@H]3O[C@@H](c4nc(C(=O)O)cs4)CC[C@@H]32)cc(C)c1Cl | 10.1016/j.bmcl.2016.03.110 | ||
| CHEMBL3794016 | 139450 | 0 | None | - | 1 | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | 437 | 5 | 2 | 6 | 4.4 | Cc1cc(OC[C@H]2[C@H](O)C[C@@H]3O[C@@H](c4nc(C(=O)O)cs4)CC[C@@H]32)cc(C)c1Cl | 10.1016/j.bmcl.2016.03.110 | ||
| 1883 | 3082 | 75 | None | -2 | 12 | Rat | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.bmcl.2009.01.059 | ||
| 1916 | 3082 | 75 | None | -2 | 12 | Rat | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.bmcl.2009.01.059 | ||
| 5280360 | 3082 | 75 | None | -2 | 12 | Rat | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.bmcl.2009.01.059 | ||
| 913 | 3082 | 75 | None | -2 | 12 | Rat | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.bmcl.2009.01.059 | ||
| CHEMBL548 | 3082 | 75 | None | -2 | 12 | Rat | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.bmcl.2009.01.059 | ||
| DB00917 | 3082 | 75 | None | -2 | 12 | Rat | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.bmcl.2009.01.059 | ||
| 18376258 | 195902 | 0 | None | - | 1 | Rat | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 465 | 9 | 1 | 3 | 5.4 | CC(C)(C)c1ccc(CN(Cc2cccc(CCC(=O)O)c2)S(=O)(=O)c2ccccc2)cc1 | 10.1016/j.bmcl.2009.01.059 | ||
| CHEMBL559065 | 195902 | 0 | None | - | 1 | Rat | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 465 | 9 | 1 | 3 | 5.4 | CC(C)(C)c1ccc(CN(Cc2cccc(CCC(=O)O)c2)S(=O)(=O)c2ccccc2)cc1 | 10.1016/j.bmcl.2009.01.059 | ||
| 127026956 | 139426 | 0 | None | - | 1 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 477 | 5 | 2 | 6 | 5.1 | O=C(O)c1csc([C@H]2CC[C@H]3[C@H](C[C@@H](O)[C@@H]3COc3cc(Cl)c(Cl)cc3Cl)O2)n1 | 10.1016/j.bmcl.2016.03.110 | ||
| CHEMBL3793862 | 139426 | 0 | None | - | 1 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 477 | 5 | 2 | 6 | 5.1 | O=C(O)c1csc([C@H]2CC[C@H]3[C@H](C[C@@H](O)[C@@H]3COc3cc(Cl)c(Cl)cc3Cl)O2)n1 | 10.1016/j.bmcl.2016.03.110 | ||
| 126495400 | 139321 | 0 | None | - | 1 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 477 | 5 | 2 | 6 | 5.1 | O=C(O)c1csc([C@H]2CC[C@H]3[C@H](C[C@@H](O)[C@@H]3COc3ccc(Cl)c(Cl)c3Cl)O2)n1 | 10.1016/j.bmcl.2016.03.110 | ||
| CHEMBL3792632 | 139321 | 0 | None | - | 1 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 477 | 5 | 2 | 6 | 5.1 | O=C(O)c1csc([C@H]2CC[C@H]3[C@H](C[C@@H](O)[C@@H]3COc3ccc(Cl)c(Cl)c3Cl)O2)n1 | 10.1016/j.bmcl.2016.03.110 | ||
| 1929 | 1605 | 55 | None | 2 | 2 | Rat | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 468 | 9 | 1 | 5 | 4.2 | OC(=O)COc1cccc(c1)CN(S(=O)(=O)c1cccnc1)Cc1ccc(cc1)C(C)(C)C | 10.1016/j.bmcl.2009.01.059 | ||
| 9890801 | 1605 | 55 | None | 2 | 2 | Rat | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 468 | 9 | 1 | 5 | 4.2 | OC(=O)COc1cccc(c1)CN(S(=O)(=O)c1cccnc1)Cc1ccc(cc1)C(C)(C)C | 10.1016/j.bmcl.2009.01.059 | ||
| CHEMBL563646 | 1605 | 55 | None | 2 | 2 | Rat | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 468 | 9 | 1 | 5 | 4.2 | OC(=O)COc1cccc(c1)CN(S(=O)(=O)c1cccnc1)Cc1ccc(cc1)C(C)(C)C | 10.1016/j.bmcl.2009.01.059 | ||
| DB12022 | 1605 | 55 | None | 2 | 2 | Rat | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 468 | 9 | 1 | 5 | 4.2 | OC(=O)COc1cccc(c1)CN(S(=O)(=O)c1cccnc1)Cc1ccc(cc1)C(C)(C)C | 10.1016/j.bmcl.2009.01.059 | ||
| 67082748 | 164363 | 0 | None | 9 | 3 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 451 | 10 | 2 | 6 | 5.0 | C[C@@](O)(C/C=C/[C@H]1CCC(=O)[C@@H]1CCSc1nc(C(=O)O)cs1)CCC(F)(F)F | 10.1016/j.bmc.2017.11.035 | ||
| CHEMBL4212770 | 164363 | 0 | None | 9 | 3 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 451 | 10 | 2 | 6 | 5.0 | C[C@@](O)(C/C=C/[C@H]1CCC(=O)[C@@H]1CCSc1nc(C(=O)O)cs1)CCC(F)(F)F | 10.1016/j.bmc.2017.11.035 | ||
| 15979081 | 163840 | 0 | None | 5 | 3 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 425 | 12 | 2 | 6 | 5.2 | CCCCCC(C)(O)C/C=C/[C@H]1CCC(=O)[C@@H]1CCSc1nc(C(=O)O)cs1 | 10.1016/j.bmc.2017.11.035 | ||
| CHEMBL4206444 | 163840 | 0 | None | 5 | 3 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 425 | 12 | 2 | 6 | 5.2 | CCCCCC(C)(O)C/C=C/[C@H]1CCC(=O)[C@@H]1CCSc1nc(C(=O)O)cs1 | 10.1016/j.bmc.2017.11.035 | ||
| 127051063 | 140322 | 0 | None | - | 1 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 443 | 5 | 2 | 6 | 4.2 | O=C(O)c1csc([C@H]2CC[C@H]3[C@H](C[C@@H](O)[C@@H]3COc3ccccc3C(F)(F)F)O2)n1 | 10.1021/acsmedchemlett.5b00455 | ||
| CHEMBL3806284 | 140322 | 0 | None | - | 1 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 443 | 5 | 2 | 6 | 4.2 | O=C(O)c1csc([C@H]2CC[C@H]3[C@H](C[C@@H](O)[C@@H]3COc3ccccc3C(F)(F)F)O2)n1 | 10.1021/acsmedchemlett.5b00455 | ||
| 127027877 | 139419 | 0 | None | - | 1 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 443 | 5 | 2 | 6 | 4.4 | O=C(O)c1csc([C@H]2CC[C@H]3[C@H](C[C@@H](O)[C@@H]3COc3ccc(Cl)c(Cl)c3)O2)n1 | 10.1016/j.bmcl.2016.03.110 | ||
| CHEMBL3793802 | 139419 | 0 | None | - | 1 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 443 | 5 | 2 | 6 | 4.4 | O=C(O)c1csc([C@H]2CC[C@H]3[C@H](C[C@@H](O)[C@@H]3COc3ccc(Cl)c(Cl)c3)O2)n1 | 10.1016/j.bmcl.2016.03.110 | ||
| 16725337 | 149601 | 0 | None | 4 | 4 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 443 | 12 | 2 | 4 | 6.0 | CCCCCCC(O)c1ccc(N2C(=O)CC[C@@H]2CCCc2ccc(C(=O)O)s2)cc1 | nan | ||
| CHEMBL3947001 | 149601 | 0 | None | 4 | 4 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 443 | 12 | 2 | 4 | 6.0 | CCCCCCC(O)c1ccc(N2C(=O)CC[C@@H]2CCCc2ccc(C(=O)O)s2)cc1 | nan | ||
| 11294085 | 137252 | 0 | None | 1 | 3 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 458 | 12 | 2 | 7 | 4.0 | O=C(O)c1csc(SCCN2C(=O)OC[C@@H]2/C=C/[C@@H](O)C2(CCCCF)CCC2)n1 | 10.1016/j.bmc.2017.11.035 | ||
| CHEMBL3751951 | 137252 | 0 | None | 1 | 3 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 458 | 12 | 2 | 7 | 4.0 | O=C(O)c1csc(SCCN2C(=O)OC[C@@H]2/C=C/[C@@H](O)C2(CCCCF)CCC2)n1 | 10.1016/j.bmc.2017.11.035 | ||
| 127028169 | 139490 | 0 | None | - | 1 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 437 | 6 | 2 | 6 | 4.4 | CCc1cc(OC[C@H]2[C@H](O)C[C@@H]3O[C@@H](c4nc(C(=O)O)cs4)CC[C@@H]32)ccc1Cl | 10.1016/j.bmcl.2016.03.110 | ||
| CHEMBL3794466 | 139490 | 0 | None | - | 1 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 437 | 6 | 2 | 6 | 4.4 | CCc1cc(OC[C@H]2[C@H](O)C[C@@H]3O[C@@H](c4nc(C(=O)O)cs4)CC[C@@H]32)ccc1Cl | 10.1016/j.bmcl.2016.03.110 | ||
| 118352160 | 139429 | 0 | None | 7079 | 2 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 423 | 5 | 2 | 6 | 4.1 | Cc1cc(OC[C@H]2[C@H](O)C[C@@H]3O[C@@H](c4nc(C(=O)O)cs4)CC[C@@H]32)ccc1Cl | 10.1016/j.bmcl.2016.03.110 | ||
| CHEMBL3793892 | 139429 | 0 | None | 7079 | 2 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 423 | 5 | 2 | 6 | 4.1 | Cc1cc(OC[C@H]2[C@H](O)C[C@@H]3O[C@@H](c4nc(C(=O)O)cs4)CC[C@@H]32)ccc1Cl | 10.1016/j.bmcl.2016.03.110 | ||
| 127027874 | 139363 | 0 | None | - | 1 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 443 | 5 | 2 | 6 | 4.2 | O=C(O)c1csc([C@H]2CC[C@H]3[C@H](C[C@@H](O)[C@@H]3COc3cccc(C(F)(F)F)c3)O2)n1 | 10.1016/j.bmcl.2016.03.110 | ||
| CHEMBL3793045 | 139363 | 0 | None | - | 1 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 443 | 5 | 2 | 6 | 4.2 | O=C(O)c1csc([C@H]2CC[C@H]3[C@H](C[C@@H](O)[C@@H]3COc3cccc(C(F)(F)F)c3)O2)n1 | 10.1016/j.bmcl.2016.03.110 | ||
| 127027874 | 139363 | 0 | None | - | 1 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 443 | 5 | 2 | 6 | 4.2 | O=C(O)c1csc([C@H]2CC[C@H]3[C@H](C[C@@H](O)[C@@H]3COc3cccc(C(F)(F)F)c3)O2)n1 | 10.1021/acsmedchemlett.5b00455 | ||
| CHEMBL3793045 | 139363 | 0 | None | - | 1 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 443 | 5 | 2 | 6 | 4.2 | O=C(O)c1csc([C@H]2CC[C@H]3[C@H](C[C@@H](O)[C@@H]3COc3cccc(C(F)(F)F)c3)O2)n1 | 10.1021/acsmedchemlett.5b00455 | ||
| 127051656 | 140294 | 0 | None | - | 1 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 459 | 6 | 2 | 7 | 4.0 | O=C(O)c1csc([C@H]2CC[C@H]3[C@H](C[C@@H](O)[C@@H]3COc3cccc(OC(F)(F)F)c3)O2)n1 | 10.1021/acsmedchemlett.5b00455 | ||
| CHEMBL3805981 | 140294 | 0 | None | - | 1 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 459 | 6 | 2 | 7 | 4.0 | O=C(O)c1csc([C@H]2CC[C@H]3[C@H](C[C@@H](O)[C@@H]3COc3cccc(OC(F)(F)F)c3)O2)n1 | 10.1021/acsmedchemlett.5b00455 | ||
| 89443871 | 151445 | 0 | None | - | 1 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 423 | 8 | 2 | 4 | 5.5 | COc1c(C)cc(-c2cccc(F)c2)cc1CNc1c(C)ccc(OCC(=O)O)c1C | nan | ||
| CHEMBL3961932 | 151445 | 0 | None | - | 1 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 423 | 8 | 2 | 4 | 5.5 | COc1c(C)cc(-c2cccc(F)c2)cc1CNc1c(C)ccc(OCC(=O)O)c1C | nan | ||
| 89443827 | 144113 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 395 | 7 | 3 | 4 | 4.9 | Cc1ccc(OCC(=O)O)c(C)c1NCc1cc(O)cc(-c2cccc(F)c2)c1 | nan | ||
| CHEMBL3903635 | 144113 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 395 | 7 | 3 | 4 | 4.9 | Cc1ccc(OCC(=O)O)c(C)c1NCc1cc(O)cc(-c2cccc(F)c2)c1 | nan | ||
| 18376082 | 194923 | 0 | None | - | 1 | Rat | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 472 | 9 | 1 | 5 | 4.8 | CC(C)(C)c1ccc(CN(Cc2cccc(CCC(=O)O)c2)S(=O)(=O)c2nccs2)cc1 | 10.1016/j.bmcl.2009.01.059 | ||
| CHEMBL541517 | 194923 | 0 | None | - | 1 | Rat | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 472 | 9 | 1 | 5 | 4.8 | CC(C)(C)c1ccc(CN(Cc2cccc(CCC(=O)O)c2)S(=O)(=O)c2nccs2)cc1 | 10.1016/j.bmcl.2009.01.059 | ||
| 145977227 | 164007 | 0 | None | -1 | 4 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 437 | 10 | 2 | 6 | 5.2 | C[C@@](O)(C/C=C/[C@H]1CCC(=O)[C@@H]1CCSc1nc(C(=O)O)cs1)CC1CCCC1 | 10.1016/j.bmc.2017.11.035 | ||
| CHEMBL4208379 | 164007 | 0 | None | -1 | 4 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 437 | 10 | 2 | 6 | 5.2 | C[C@@](O)(C/C=C/[C@H]1CCC(=O)[C@@H]1CCSc1nc(C(=O)O)cs1)CC1CCCC1 | 10.1016/j.bmc.2017.11.035 | ||
| 10315 | 2926 | 28 | None | 1659 | 2 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 478 | 10 | 2 | 8 | 2.6 | OC(=O)CNc1cccc(n1)CN(S(=O)(=O)c1cccnc1)Cc1ccc(cc1)n1cccn1 | 10.1021/acs.jmedchem.8b00808 | ||
| 44230575 | 2926 | 28 | None | 1659 | 2 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 478 | 10 | 2 | 8 | 2.6 | OC(=O)CNc1cccc(n1)CN(S(=O)(=O)c1cccnc1)Cc1ccc(cc1)n1cccn1 | 10.1021/acs.jmedchem.8b00808 | ||
| CHEMBL3707245 | 2926 | 28 | None | 1659 | 2 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 478 | 10 | 2 | 8 | 2.6 | OC(=O)CNc1cccc(n1)CN(S(=O)(=O)c1cccnc1)Cc1ccc(cc1)n1cccn1 | 10.1021/acs.jmedchem.8b00808 | ||
| 126495463 | 140307 | 0 | None | 69 | 3 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 389 | 6 | 2 | 6 | 3.5 | O=C(O)c1csc([C@H]2CC[C@H]3[C@H](C[C@@H](O)[C@@H]3CCOc3ccccc3)O2)n1 | 10.1021/acsmedchemlett.5b00455 | ||
| CHEMBL3806130 | 140307 | 0 | None | 69 | 3 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 389 | 6 | 2 | 6 | 3.5 | O=C(O)c1csc([C@H]2CC[C@H]3[C@H](C[C@@H](O)[C@@H]3CCOc3ccccc3)O2)n1 | 10.1021/acsmedchemlett.5b00455 | ||
| 11502897 | 142793 | 0 | None | 43 | 3 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 431 | 11 | 2 | 5 | 4.8 | CCCCCC(O)c1ccc(N2C(=O)CC[C@@H]2COCc2ccc(C(=O)O)s2)cc1 | nan | ||
| CHEMBL3892847 | 142793 | 0 | None | 43 | 3 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 431 | 11 | 2 | 5 | 4.8 | CCCCCC(O)c1ccc(N2C(=O)CC[C@@H]2COCc2ccc(C(=O)O)s2)cc1 | nan | ||
| 11855870 | 146280 | 0 | None | 467 | 3 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 427 | 11 | 1 | 4 | 5.7 | CCCCCC(=O)c1ccc(N2C(=O)CC[C@@H]2CCCc2ccc(C(=O)O)s2)cc1 | nan | ||
| CHEMBL3920756 | 146280 | 0 | None | 467 | 3 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 427 | 11 | 1 | 4 | 5.7 | CCCCCC(=O)c1ccc(N2C(=O)CC[C@@H]2CCCc2ccc(C(=O)O)s2)cc1 | nan | ||
| 11855868 | 152544 | 0 | None | 24 | 3 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 429 | 11 | 2 | 4 | 5.6 | CCCCCC(O)c1ccc(N2C(=O)CC[C@@H]2CCCc2ccc(C(=O)O)s2)cc1 | nan | ||
| CHEMBL3971632 | 152544 | 0 | None | 24 | 3 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 429 | 11 | 2 | 4 | 5.6 | CCCCCC(O)c1ccc(N2C(=O)CC[C@@H]2CCCc2ccc(C(=O)O)s2)cc1 | nan | ||
| 11855865 | 153277 | 0 | None | 35 | 3 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 445 | 12 | 2 | 5 | 5.2 | CCCCCCC(O)c1ccc(N2C(=O)CC[C@@H]2COCc2ccc(C(=O)O)s2)cc1 | nan | ||
| CHEMBL3977724 | 153277 | 0 | None | 35 | 3 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 445 | 12 | 2 | 5 | 5.2 | CCCCCCC(O)c1ccc(N2C(=O)CC[C@@H]2COCc2ccc(C(=O)O)s2)cc1 | nan | ||
| 44230722 | 171729 | 0 | None | - | 1 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 489 | 10 | 2 | 7 | 3.4 | O=C(O)CNc1cccc(CN(Cc2ccc(-c3ccccn3)cc2)S(=O)(=O)c2cccnc2)n1 | 10.1021/acs.jmedchem.8b00808 | ||
| CHEMBL4467099 | 171729 | 0 | None | - | 1 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 489 | 10 | 2 | 7 | 3.4 | O=C(O)CNc1cccc(CN(Cc2ccc(-c3ccccn3)cc2)S(=O)(=O)c2cccnc2)n1 | 10.1021/acs.jmedchem.8b00808 | ||
| 11855868 | 152544 | 0 | None | 24 | 3 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 429 | 11 | 2 | 4 | 5.6 | CCCCCC(O)c1ccc(N2C(=O)CC[C@@H]2CCCc2ccc(C(=O)O)s2)cc1 | nan | ||
| CHEMBL3971632 | 152544 | 0 | None | 24 | 3 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 429 | 11 | 2 | 4 | 5.6 | CCCCCC(O)c1ccc(N2C(=O)CC[C@@H]2CCCc2ccc(C(=O)O)s2)cc1 | nan | ||
| 127026953 | 139499 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 439 | 6 | 2 | 7 | 3.8 | COc1cc(OC[C@H]2[C@H](O)C[C@@H]3O[C@@H](c4nc(C(=O)O)cs4)CC[C@@H]32)ccc1Cl | 10.1016/j.bmcl.2016.03.110 | ||
| CHEMBL3794585 | 139499 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 439 | 6 | 2 | 7 | 3.8 | COc1cc(OC[C@H]2[C@H](O)C[C@@H]3O[C@@H](c4nc(C(=O)O)cs4)CC[C@@H]32)ccc1Cl | 10.1016/j.bmcl.2016.03.110 | ||
| 1883 | 3082 | 75 | None | -6 | 12 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1021/acsmedchemlett.5b00455 | ||
| 1916 | 3082 | 75 | None | -6 | 12 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1021/acsmedchemlett.5b00455 | ||
| 5280360 | 3082 | 75 | None | -6 | 12 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1021/acsmedchemlett.5b00455 | ||
| 913 | 3082 | 75 | None | -6 | 12 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1021/acsmedchemlett.5b00455 | ||
| CHEMBL548 | 3082 | 75 | None | -6 | 12 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1021/acsmedchemlett.5b00455 | ||
| DB00917 | 3082 | 75 | None | -6 | 12 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1021/acsmedchemlett.5b00455 | ||
| 126495398 | 140211 | 0 | None | 416 | 3 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 403 | 7 | 2 | 6 | 3.9 | O=C(O)c1csc([C@H]2CC[C@H]3[C@H](C[C@@H](O)[C@@H]3CCCOc3ccccc3)O2)n1 | 10.1021/acsmedchemlett.5b00455 | ||
| CHEMBL3805044 | 140211 | 0 | None | 416 | 3 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 403 | 7 | 2 | 6 | 3.9 | O=C(O)c1csc([C@H]2CC[C@H]3[C@H](C[C@@H](O)[C@@H]3CCCOc3ccccc3)O2)n1 | 10.1021/acsmedchemlett.5b00455 | ||
| 89443586 | 145685 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 401 | 7 | 2 | 3 | 5.2 | Cc1c(OCC(=O)O)ccc(F)c1NCc1cc(-c2cccc(F)c2)ccc1F | nan | ||
| CHEMBL3916133 | 145685 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 401 | 7 | 2 | 3 | 5.2 | Cc1c(OCC(=O)O)ccc(F)c1NCc1cc(-c2cccc(F)c2)ccc1F | nan | ||
| 118517489 | 143691 | 0 | None | -18 | 3 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 414 | 8 | 2 | 3 | 4.4 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2cc(F)ccc2F)cc1 | nan | ||
| CHEMBL3900245 | 143691 | 0 | None | -18 | 3 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 414 | 8 | 2 | 3 | 4.4 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2cc(F)ccc2F)cc1 | nan | ||
| 92135977 | 152896 | 0 | None | -141 | 4 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 396 | 8 | 2 | 3 | 4.2 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2cccc(F)c2)cc1 | nan | ||
| CHEMBL3974652 | 152896 | 0 | None | -141 | 4 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 396 | 8 | 2 | 3 | 4.2 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2cccc(F)c2)cc1 | nan | ||
| 8541 | 2944 | 2 | None | -66069 | 4 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 436 | 13 | 3 | 6 | 2.8 | COCc1cccc(c1)C[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCSCCCC(=O)O)O | 10.1021/acs.jmedchem.9b00336 | ||
| 9824353 | 2944 | 2 | None | -66069 | 4 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 436 | 13 | 3 | 6 | 2.8 | COCc1cccc(c1)C[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCSCCCC(=O)O)O | 10.1021/acs.jmedchem.9b00336 | ||
| CHEMBL292964 | 2944 | 2 | None | -66069 | 4 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 436 | 13 | 3 | 6 | 2.8 | COCc1cccc(c1)C[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCSCCCC(=O)O)O | 10.1021/acs.jmedchem.9b00336 | ||
| 59465571 | 146285 | 0 | None | -1 | 2 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 386 | 12 | 2 | 3 | 5.6 | CCCCCC(O)c1ccc([C@H]2CCC(=O)[C@@H]2C/C=C\CCCC(=O)O)cc1 | nan | ||
| CHEMBL3920796 | 146285 | 0 | None | -1 | 2 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 386 | 12 | 2 | 3 | 5.6 | CCCCCC(O)c1ccc([C@H]2CCC(=O)[C@@H]2C/C=C\CCCC(=O)O)cc1 | nan | ||
| 118517361 | 153370 | 0 | None | -107 | 3 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 446 | 8 | 2 | 3 | 5.1 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2cccc(C(F)(F)F)c2)cc1 | nan | ||
| CHEMBL3978590 | 153370 | 0 | None | -107 | 3 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 446 | 8 | 2 | 3 | 5.1 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2cccc(C(F)(F)F)c2)cc1 | nan | ||
| 11955384 | 147538 | 0 | None | 33 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 360 | 8 | 2 | 3 | 4.4 | CC(C)(C)c1ccc([C@H]2[C@H](O)CC(=O)[C@@H]2CCCCCCC(=O)O)cc1 | nan | ||
| CHEMBL3930718 | 147538 | 0 | None | 33 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 360 | 8 | 2 | 3 | 4.4 | CC(C)(C)c1ccc([C@H]2[C@H](O)CC(=O)[C@@H]2CCCCCCC(=O)O)cc1 | nan | ||
| 45268715 | 195976 | 0 | None | - | 1 | Rat | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 403 | 11 | 1 | 3 | 4.4 | CCCCc1ccc(CN(c2ccccc2CCCC(=O)O)S(C)(=O)=O)cc1 | 10.1016/j.bmcl.2009.01.059 | ||
| CHEMBL559760 | 195976 | 0 | None | - | 1 | Rat | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 403 | 11 | 1 | 3 | 4.4 | CCCCc1ccc(CN(c2ccccc2CCCC(=O)O)S(C)(=O)=O)cc1 | 10.1016/j.bmcl.2009.01.059 | ||
| 16750455 | 151272 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 342 | 7 | 1 | 2 | 5.2 | CC(C)(C)c1ccc([C@H]2CCC(=O)[C@@H]2C/C=C\CCCC(=O)O)cc1 | nan | ||
| CHEMBL3960352 | 151272 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 342 | 7 | 1 | 2 | 5.2 | CC(C)(C)c1ccc([C@H]2CCC(=O)[C@@H]2C/C=C\CCCC(=O)O)cc1 | nan | ||
| 53259980 | 176369 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 468 | 9 | 2 | 6 | 3.7 | CC(C)(C)c1cccc(CN(Cc2cccc(NCC(=O)O)n2)S(=O)(=O)c2cccnc2)c1 | 10.1021/acs.jmedchem.8b00808 | ||
| CHEMBL4566584 | 176369 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 468 | 9 | 2 | 6 | 3.7 | CC(C)(C)c1cccc(CN(Cc2cccc(NCC(=O)O)n2)S(=O)(=O)c2cccnc2)c1 | 10.1021/acs.jmedchem.8b00808 | ||
| CHEMBL4595789 | 176369 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 468 | 9 | 2 | 6 | 3.7 | CC(C)(C)c1cccc(CN(Cc2cccc(NCC(=O)O)n2)S(=O)(=O)c2cccnc2)c1 | 10.1021/acs.jmedchem.8b00808 | ||
| 126495507 | 139379 | 0 | None | 154 | 2 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 425 | 5 | 1 | 5 | 5.1 | Cc1cc(OC[C@H]2[C@@H](F)C[C@@H]3O[C@@H](c4nc(C(=O)O)cs4)CC[C@@H]32)ccc1Cl | 10.1016/j.bmcl.2016.03.110 | ||
| CHEMBL3793167 | 139379 | 0 | None | 154 | 2 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 425 | 5 | 1 | 5 | 5.1 | Cc1cc(OC[C@H]2[C@@H](F)C[C@@H]3O[C@@H](c4nc(C(=O)O)cs4)CC[C@@H]32)ccc1Cl | 10.1016/j.bmcl.2016.03.110 | ||
| 71515776 | 154356 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 419 | 7 | 2 | 3 | 5.5 | CC(Nc1c(F)ccc(OCC(=O)O)c1F)c1cc(-c2cccc(F)c2)ccc1F | nan | ||
| CHEMBL3986985 | 154356 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 419 | 7 | 2 | 3 | 5.5 | CC(Nc1c(F)ccc(OCC(=O)O)c1F)c1cc(-c2cccc(F)c2)ccc1F | nan | ||
| 44304164 | 203234 | 0 | None | - | 1 | Mouse | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 378 | 11 | 3 | 4 | 3.6 | CCC1([C@@H](O)C/C=C/[C@H]2[C@H](O)CC(=O)[C@@H]2C/C=C\CCCC(=O)O)CCC1 | 10.1016/s0960-894x(01)00359-6 | ||
| CHEMBL64483 | 203234 | 0 | None | - | 1 | Mouse | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 378 | 11 | 3 | 4 | 3.6 | CCC1([C@@H](O)C/C=C/[C@H]2[C@H](O)CC(=O)[C@@H]2C/C=C\CCCC(=O)O)CCC1 | 10.1016/s0960-894x(01)00359-6 | ||
| 118517485 | 142750 | 0 | None | -3 | 4 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 396 | 8 | 2 | 3 | 4.2 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2ccc(F)cc2)cc1 | nan | ||
| CHEMBL3892492 | 142750 | 0 | None | -3 | 4 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 396 | 8 | 2 | 3 | 4.2 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2ccc(F)cc2)cc1 | nan | ||
| 71515515 | 151004 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 369 | 7 | 2 | 3 | 4.7 | O=C(O)COc1cccc(NCc2cc(-c3cccc(F)c3)ccc2F)c1 | nan | ||
| CHEMBL3958411 | 151004 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 369 | 7 | 2 | 3 | 4.7 | O=C(O)COc1cccc(NCc2cc(-c3cccc(F)c3)ccc2F)c1 | nan | ||
| 126495427 | 139466 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 422 | 5 | 2 | 5 | 4.7 | Cc1cc(OC[C@H]2[C@H](O)C[C@@H]3O[C@@H](c4csc(C(=O)O)c4)CC[C@@H]32)ccc1Cl | 10.1016/j.bmcl.2016.03.110 | ||
| CHEMBL3794185 | 139466 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 422 | 5 | 2 | 5 | 4.7 | Cc1cc(OC[C@H]2[C@H](O)C[C@@H]3O[C@@H](c4csc(C(=O)O)c4)CC[C@@H]32)ccc1Cl | 10.1016/j.bmcl.2016.03.110 | ||
| 11955193 | 143584 | 0 | None | 10 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 378 | 7 | 2 | 2 | 5.3 | CC(C)(C)c1ccc([C@H]2[C@H](O)C[C@@H](Cl)[C@@H]2C/C=C\CCCC(=O)O)cc1 | nan | ||
| CHEMBL3899346 | 143584 | 0 | None | 10 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 378 | 7 | 2 | 2 | 5.3 | CC(C)(C)c1ccc([C@H]2[C@H](O)C[C@@H](Cl)[C@@H]2C/C=C\CCCC(=O)O)cc1 | nan | ||
| 155550016 | 176682 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 468 | 13 | 2 | 6 | 3.6 | O=C(O)CNc1cccc(CN(CCCCCc2ccccc2)S(=O)(=O)c2cccnc2)n1 | 10.1021/acs.jmedchem.8b00808 | ||
| CHEMBL4539881 | 176682 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 468 | 13 | 2 | 6 | 3.6 | O=C(O)CNc1cccc(CN(CCCCCc2ccccc2)S(=O)(=O)c2cccnc2)n1 | 10.1021/acs.jmedchem.8b00808 | ||
| CHEMBL4598324 | 176682 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 468 | 13 | 2 | 6 | 3.6 | O=C(O)CNc1cccc(CN(CCCCCc2ccccc2)S(=O)(=O)c2cccnc2)n1 | 10.1021/acs.jmedchem.8b00808 | ||
| 53260150 | 176532 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 480 | 9 | 2 | 6 | 3.4 | O=C(O)CNc1cccc(CN(Cc2ccc(C(F)(F)F)cc2)S(=O)(=O)c2cccnc2)n1 | 10.1021/acs.jmedchem.8b00808 | ||
| CHEMBL4451786 | 176532 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 480 | 9 | 2 | 6 | 3.4 | O=C(O)CNc1cccc(CN(Cc2ccc(C(F)(F)F)cc2)S(=O)(=O)c2cccnc2)n1 | 10.1021/acs.jmedchem.8b00808 | ||
| CHEMBL4597091 | 176532 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 480 | 9 | 2 | 6 | 3.4 | O=C(O)CNc1cccc(CN(Cc2ccc(C(F)(F)F)cc2)S(=O)(=O)c2cccnc2)n1 | 10.1021/acs.jmedchem.8b00808 | ||
| 11855590 | 144374 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 387 | 8 | 2 | 5 | 3.4 | CC(C)C(O)c1ccc(N2C(=O)CC[C@@H]2COCc2ccc(C(=O)O)o2)cc1 | nan | ||
| CHEMBL3905811 | 144374 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 387 | 8 | 2 | 5 | 3.4 | CC(C)C(O)c1ccc(N2C(=O)CC[C@@H]2COCc2ccc(C(=O)O)o2)cc1 | nan | ||
| 11855591 | 144436 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 435 | 9 | 2 | 5 | 4.0 | O=C(O)c1ccc(COC[C@H]2CCC(=O)N2c2ccc(C(O)Cc3ccccc3)cc2)o1 | nan | ||
| CHEMBL3906402 | 144436 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 435 | 9 | 2 | 5 | 4.0 | O=C(O)c1ccc(COC[C@H]2CCC(=O)N2c2ccc(C(O)Cc3ccccc3)cc2)o1 | nan | ||
| 11855591 | 144436 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 435 | 9 | 2 | 5 | 4.0 | O=C(O)c1ccc(COC[C@H]2CCC(=O)N2c2ccc(C(O)Cc3ccccc3)cc2)o1 | nan | ||
| CHEMBL3906402 | 144436 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 435 | 9 | 2 | 5 | 4.0 | O=C(O)c1ccc(COC[C@H]2CCC(=O)N2c2ccc(C(O)Cc3ccccc3)cc2)o1 | nan | ||
| 118517360 | 143975 | 0 | None | -61 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 412 | 8 | 2 | 3 | 4.7 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2cccc(Cl)c2)cc1 | nan | ||
| CHEMBL3902700 | 143975 | 0 | None | -61 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 412 | 8 | 2 | 3 | 4.7 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2cccc(Cl)c2)cc1 | nan | ||
| 118517489 | 143691 | 0 | None | -18 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 414 | 8 | 2 | 3 | 4.4 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2cc(F)ccc2F)cc1 | nan | ||
| CHEMBL3900245 | 143691 | 0 | None | -18 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 414 | 8 | 2 | 3 | 4.4 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2cc(F)ccc2F)cc1 | nan | ||
| 11955257 | 153886 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 410 | 9 | 3 | 3 | 5.3 | CC(C)(C)C(O)c1ccc([C@H]2[C@H](O)C[C@@H](Cl)[C@@H]2CCCCCCC(=O)O)cc1 | nan | ||
| CHEMBL3983069 | 153886 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 410 | 9 | 3 | 3 | 5.3 | CC(C)(C)C(O)c1ccc([C@H]2[C@H](O)C[C@@H](Cl)[C@@H]2CCCCCCC(=O)O)cc1 | nan | ||
| 118352211 | 139385 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 375 | 5 | 2 | 6 | 3.1 | O=C(O)c1csc([C@H]2CC[C@H]3[C@H](C[C@@H](O)[C@@H]3COc3ccccc3)O2)n1 | 10.1016/j.bmcl.2016.03.110 | ||
| CHEMBL3793209 | 139385 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 375 | 5 | 2 | 6 | 3.1 | O=C(O)c1csc([C@H]2CC[C@H]3[C@H](C[C@@H](O)[C@@H]3COc3ccccc3)O2)n1 | 10.1016/j.bmcl.2016.03.110 | ||
| 118352211 | 139385 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 375 | 5 | 2 | 6 | 3.1 | O=C(O)c1csc([C@H]2CC[C@H]3[C@H](C[C@@H](O)[C@@H]3COc3ccccc3)O2)n1 | 10.1021/acsmedchemlett.5b00455 | ||
| CHEMBL3793209 | 139385 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 375 | 5 | 2 | 6 | 3.1 | O=C(O)c1csc([C@H]2CC[C@H]3[C@H](C[C@@H](O)[C@@H]3COc3ccccc3)O2)n1 | 10.1021/acsmedchemlett.5b00455 | ||
| 126495491 | 140225 | 0 | None | 28 | 4 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 429 | 8 | 2 | 6 | 4.5 | O=C(O)c1csc([C@H]2CC[C@H]3[C@H](C[C@@H](O)[C@@H]3/C=C/CCCOc3ccccc3)O2)n1 | 10.1021/acsmedchemlett.5b00455 | ||
| CHEMBL3805169 | 140225 | 0 | None | 28 | 4 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 429 | 8 | 2 | 6 | 4.5 | O=C(O)c1csc([C@H]2CC[C@H]3[C@H](C[C@@H](O)[C@@H]3/C=C/CCCOc3ccccc3)O2)n1 | 10.1021/acsmedchemlett.5b00455 | ||
| 127050452 | 140244 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 443 | 5 | 2 | 6 | 4.2 | O=C(O)c1csc([C@H]2CC[C@H]3[C@H](C[C@@H](O)[C@@H]3COc3ccc(C(F)(F)F)cc3)O2)n1 | 10.1021/acsmedchemlett.5b00455 | ||
| CHEMBL3805408 | 140244 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 443 | 5 | 2 | 6 | 4.2 | O=C(O)c1csc([C@H]2CC[C@H]3[C@H](C[C@@H](O)[C@@H]3COc3ccc(C(F)(F)F)cc3)O2)n1 | 10.1021/acsmedchemlett.5b00455 | ||
| 53260293 | 176213 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 494 | 11 | 2 | 6 | 4.2 | CCC1(c2ccc(CN(Cc3cccc(NCC(=O)O)n3)S(=O)(=O)c3cccnc3)cc2)CCC1 | 10.1021/acs.jmedchem.8b00808 | ||
| CHEMBL4594090 | 176213 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 494 | 11 | 2 | 6 | 4.2 | CCC1(c2ccc(CN(Cc3cccc(NCC(=O)O)n3)S(=O)(=O)c3cccnc3)cc2)CCC1 | 10.1021/acs.jmedchem.8b00808 | ||
| 89443700 | 152586 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 419 | 7 | 2 | 3 | 5.3 | Cc1cc(-c2cccc(F)c2)cc(CNc2c(F)ccc(OCC(=O)O)c2F)c1F | nan | ||
| CHEMBL3971868 | 152586 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 419 | 7 | 2 | 3 | 5.3 | Cc1cc(-c2cccc(F)c2)cc(CNc2c(F)ccc(OCC(=O)O)c2F)c1F | nan | ||
| 89444072 | 148944 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 419 | 7 | 2 | 3 | 5.3 | Cc1c(-c2cccc(F)c2)ccc(F)c1CNc1c(F)ccc(OCC(=O)O)c1F | nan | ||
| CHEMBL3941975 | 148944 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 419 | 7 | 2 | 3 | 5.3 | Cc1c(-c2cccc(F)c2)ccc(F)c1CNc1c(F)ccc(OCC(=O)O)c1F | nan | ||
| 44303952 | 100886 | 0 | None | - | 1 | Mouse | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 420 | 14 | 3 | 4 | 4.8 | CCCCCC1([C@@H](O)C/C=C/[C@H]2[C@H](O)CC(=O)[C@@H]2C/C=C\CCCC(=O)O)CCC1 | 10.1016/s0960-894x(01)00359-6 | ||
| CHEMBL293697 | 100886 | 0 | None | - | 1 | Mouse | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 420 | 14 | 3 | 4 | 4.8 | CCCCCC1([C@@H](O)C/C=C/[C@H]2[C@H](O)CC(=O)[C@@H]2C/C=C\CCCC(=O)O)CCC1 | 10.1016/s0960-894x(01)00359-6 | ||
| 10270893 | 94228 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 376 | 12 | 2 | 4 | 3.1 | CCCCCC(O)CCCN1CCC(=O)N1CCc1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2007.09.074 | ||
| CHEMBL249954 | 94228 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 376 | 12 | 2 | 4 | 3.1 | CCCCCC(O)CCCN1CCC(=O)N1CCc1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2007.09.074 | ||
| 9885481 | 195383 | 0 | None | 14 | 2 | Rat | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 365 | 16 | 2 | 4 | 3.0 | CCCCCC(O)CCCN(CCCCCCC(=O)O)S(C)(=O)=O | 10.1016/j.bmcl.2009.01.059 | ||
| CHEMBL551951 | 195383 | 0 | None | 14 | 2 | Rat | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 365 | 16 | 2 | 4 | 3.0 | CCCCCC(O)CCCN(CCCCCCC(=O)O)S(C)(=O)=O | 10.1016/j.bmcl.2009.01.059 | ||
| 11855325 | 144691 | 0 | None | 19 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 387 | 6 | 1 | 4 | 4.5 | CC(C)(C)c1ccc(N2C(=O)CC[C@@H]2COCc2ccc(C(=O)O)s2)cc1 | nan | ||
| CHEMBL3908484 | 144691 | 0 | None | 19 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 387 | 6 | 1 | 4 | 4.5 | CC(C)(C)c1ccc(N2C(=O)CC[C@@H]2COCc2ccc(C(=O)O)s2)cc1 | nan | ||
| 11855325 | 144691 | 0 | None | 19 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 387 | 6 | 1 | 4 | 4.5 | CC(C)(C)c1ccc(N2C(=O)CC[C@@H]2COCc2ccc(C(=O)O)s2)cc1 | nan | ||
| CHEMBL3908484 | 144691 | 0 | None | 19 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 387 | 6 | 1 | 4 | 4.5 | CC(C)(C)c1ccc(N2C(=O)CC[C@@H]2COCc2ccc(C(=O)O)s2)cc1 | nan | ||
| 127050451 | 140221 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 459 | 6 | 2 | 7 | 4.0 | O=C(O)c1csc([C@H]2CC[C@H]3[C@H](C[C@@H](O)[C@@H]3COc3ccc(OC(F)(F)F)cc3)O2)n1 | 10.1021/acsmedchemlett.5b00455 | ||
| CHEMBL3805122 | 140221 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 459 | 6 | 2 | 7 | 4.0 | O=C(O)c1csc([C@H]2CC[C@H]3[C@H](C[C@@H](O)[C@@H]3COc3ccc(OC(F)(F)F)cc3)O2)n1 | 10.1021/acsmedchemlett.5b00455 | ||
| 89443781 | 149278 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 423 | 7 | 2 | 3 | 5.1 | O=C(O)COc1ccc(F)c(NCc2cc(-c3ccc(F)c(F)c3)ccc2F)c1F | nan | ||
| CHEMBL3944601 | 149278 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 423 | 7 | 2 | 3 | 5.1 | O=C(O)COc1ccc(F)c(NCc2cc(-c3ccc(F)c(F)c3)ccc2F)c1F | nan | ||
| 10481859 | 75167 | 0 | None | -67 | 2 | Rat | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 522 | 10 | 2 | 6 | 5.4 | Cc1ccc(-c2cccc(C[C@H](O)/C=C/[C@H]3CCC(=O)N3CCSc3nc(C(=O)O)cs3)c2)cc1C | 10.1016/j.bmc.2012.04.008 | ||
| CHEMBL2036321 | 75167 | 0 | None | -67 | 2 | Rat | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 522 | 10 | 2 | 6 | 5.4 | Cc1ccc(-c2cccc(C[C@H](O)/C=C/[C@H]3CCC(=O)N3CCSc3nc(C(=O)O)cs3)c2)cc1C | 10.1016/j.bmc.2012.04.008 | ||
| 44303627 | 203205 | 0 | None | - | 1 | Mouse | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 364 | 11 | 3 | 3 | 4.5 | CCC1([C@@H](O)C/C=C/[C@H]2[C@H](O)CC[C@@H]2C/C=C\CCCC(=O)O)CCC1 | 10.1016/s0960-894x(01)00359-6 | ||
| CHEMBL64358 | 203205 | 0 | None | - | 1 | Mouse | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 364 | 11 | 3 | 3 | 4.5 | CCC1([C@@H](O)C/C=C/[C@H]2[C@H](O)CC[C@@H]2C/C=C\CCCC(=O)O)CCC1 | 10.1016/s0960-894x(01)00359-6 | ||
| 134146425 | 149203 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 394 | 12 | 2 | 2 | 6.4 | CCCCC(O)c1ccc([C@H]2CC[C@@H](Cl)[C@@H]2CCCCCCC(=O)O)cc1 | nan | ||
| CHEMBL3943966 | 149203 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 394 | 12 | 2 | 2 | 6.4 | CCCCC(O)c1ccc([C@H]2CC[C@@H](Cl)[C@@H]2CCCCCCC(=O)O)cc1 | nan | ||
| 11855591 | 144436 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 435 | 9 | 2 | 5 | 4.0 | O=C(O)c1ccc(COC[C@H]2CCC(=O)N2c2ccc(C(O)Cc3ccccc3)cc2)o1 | nan | ||
| CHEMBL3906402 | 144436 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 435 | 9 | 2 | 5 | 4.0 | O=C(O)c1ccc(COC[C@H]2CCC(=O)N2c2ccc(C(O)Cc3ccccc3)cc2)o1 | nan | ||
| 10291963 | 84708 | 0 | None | -32 | 4 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 359 | 10 | 2 | 3 | 3.4 | CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)N1CCc1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2007.11.020 | ||
| CHEMBL222715 | 84708 | 0 | None | -32 | 4 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 359 | 10 | 2 | 3 | 3.4 | CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)N1CCc1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2007.11.020 | ||
| 127029402 | 139358 | 0 | None | 524 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 407 | 5 | 2 | 6 | 3.6 | Cc1cc(OC[C@H]2[C@H](O)C[C@@H]3O[C@@H](c4nc(C(=O)O)co4)CC[C@@H]32)ccc1Cl | 10.1016/j.bmcl.2016.03.110 | ||
| CHEMBL3793009 | 139358 | 0 | None | 524 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 407 | 5 | 2 | 6 | 3.6 | Cc1cc(OC[C@H]2[C@H](O)C[C@@H]3O[C@@H](c4nc(C(=O)O)co4)CC[C@@H]32)ccc1Cl | 10.1016/j.bmcl.2016.03.110 | ||
| 24760052 | 151185 | 0 | None | 24 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 427 | 10 | 2 | 4 | 5.4 | CCCCCC(O)c1ccc(N2C(=O)CC[C@@H]2/C=C/Cc2ccc(C(=O)O)s2)cc1 | nan | ||
| CHEMBL3959769 | 151185 | 0 | None | 24 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 427 | 10 | 2 | 4 | 5.4 | CCCCCC(O)c1ccc(N2C(=O)CC[C@@H]2/C=C/Cc2ccc(C(=O)O)s2)cc1 | nan | ||
| 17751059 | 148268 | 0 | None | 3 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 440 | 12 | 2 | 2 | 6.8 | CCCCCC(O)c1ccc([C@H]2[C@H](Cl)C[C@@H](Cl)[C@@H]2C/C=C\CCCC(=O)O)cc1 | nan | ||
| CHEMBL3936540 | 148268 | 0 | None | 3 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 440 | 12 | 2 | 2 | 6.8 | CCCCCC(O)c1ccc([C@H]2[C@H](Cl)C[C@@H](Cl)[C@@H]2C/C=C\CCCC(=O)O)cc1 | nan | ||
| 89444124 | 143431 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 397 | 7 | 2 | 3 | 5.3 | Cc1cc(-c2ccccc2)cc(CNc2c(F)ccc(OCC(=O)O)c2F)c1C | nan | ||
| CHEMBL3898152 | 143431 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 397 | 7 | 2 | 3 | 5.3 | Cc1cc(-c2ccccc2)cc(CNc2c(F)ccc(OCC(=O)O)c2F)c1C | nan | ||
| 156014791 | 177584 | 0 | None | -309 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 439 | 11 | 2 | 4 | 5.0 | CCCCCC(O)CCc1c(Cl)cc(Cl)c(=O)n1CCc1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2020.127104 | ||
| CHEMBL4640635 | 177584 | 0 | None | -309 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 439 | 11 | 2 | 4 | 5.0 | CCCCCC(O)CCc1c(Cl)cc(Cl)c(=O)n1CCc1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2020.127104 | ||
| 57464006 | 75168 | 0 | None | -288 | 2 | Rat | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 534 | 10 | 2 | 7 | 5.5 | O=C(O)c1csc(SCCN2C(=O)CC[C@@H]2/C=C/[C@@H](O)Cc2cccc(-c3cc4ccccc4o3)c2)n1 | 10.1016/j.bmc.2012.04.008 | ||
| CHEMBL2036322 | 75168 | 0 | None | -288 | 2 | Rat | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 534 | 10 | 2 | 7 | 5.5 | O=C(O)c1csc(SCCN2C(=O)CC[C@@H]2/C=C/[C@@H](O)Cc2cccc(-c3cc4ccccc4o3)c2)n1 | 10.1016/j.bmc.2012.04.008 | ||
| 10269242 | 155575 | 0 | None | -54 | 2 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 348 | 9 | 2 | 4 | 2.2 | CC(C)CC(O)CCN1CCC(=O)N1CCc1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2007.09.074 | ||
| CHEMBL404413 | 155575 | 0 | None | -54 | 2 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 348 | 9 | 2 | 4 | 2.2 | CC(C)CC(O)CCN1CCC(=O)N1CCc1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2007.09.074 | ||
| 59465577 | 143189 | 0 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 408 | 13 | 2 | 2 | 6.8 | CCCCCC(O)c1ccc([C@H]2CC[C@@H](Cl)[C@@H]2CCCCCCC(=O)O)cc1 | nan | ||
| CHEMBL3896183 | 143189 | 0 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 408 | 13 | 2 | 2 | 6.8 | CCCCCC(O)c1ccc([C@H]2CC[C@@H](Cl)[C@@H]2CCCCCCC(=O)O)cc1 | nan | ||
| 59465570 | 143259 | 0 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 392 | 13 | 2 | 2 | 6.6 | CCCCCC(O)c1ccc([C@H]2CC[C@@H](F)[C@@H]2CCCCCCC(=O)O)cc1 | nan | ||
| CHEMBL3896693 | 143259 | 0 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 392 | 13 | 2 | 2 | 6.6 | CCCCCC(O)c1ccc([C@H]2CC[C@@H](F)[C@@H]2CCCCCCC(=O)O)cc1 | nan | ||
| 134143292 | 145228 | 0 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 408 | 12 | 1 | 3 | 6.5 | CCCCC(O)c1ccc([C@H]2CC[C@@H](Cl)[C@@H]2CCCCCCC(=O)OC)cc1 | nan | ||
| CHEMBL3912658 | 145228 | 0 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 408 | 12 | 1 | 3 | 6.5 | CCCCC(O)c1ccc([C@H]2CC[C@@H](Cl)[C@@H]2CCCCCCC(=O)OC)cc1 | nan | ||
| 59465574 | 145945 | 0 | None | 1 | 2 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 400 | 12 | 1 | 4 | 5.7 | CCCCCC(O)c1ccc([C@H]2CCC(=O)[C@@H]2C/C=C\CCCC(=O)OC)cc1 | nan | ||
| CHEMBL3918084 | 145945 | 0 | None | 1 | 2 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 400 | 12 | 1 | 4 | 5.7 | CCCCCC(O)c1ccc([C@H]2CCC(=O)[C@@H]2C/C=C\CCCC(=O)OC)cc1 | nan | ||
| 59465601 | 149894 | 0 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 402 | 13 | 1 | 4 | 5.4 | CCCCC(O)Cc1ccc([C@H]2CCC(=O)[C@@H]2CCCCCCC(=O)OC)cc1 | nan | ||
| CHEMBL3949271 | 149894 | 0 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 402 | 13 | 1 | 4 | 5.4 | CCCCC(O)Cc1ccc([C@H]2CCC(=O)[C@@H]2CCCCCCC(=O)OC)cc1 | nan | ||
| 58681356 | 150371 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 434 | 7 | 3 | 4 | 3.9 | O=C(O)COCC#CCC1[C@@H](c2ccc(C(O)C3CCCCC3)cc2)[C@H](O)C[C@H]1Cl | nan | ||
| CHEMBL3953307 | 150371 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 434 | 7 | 3 | 4 | 3.9 | O=C(O)COCC#CCC1[C@@H](c2ccc(C(O)C3CCCCC3)cc2)[C@H](O)C[C@H]1Cl | nan | ||
| 44442327 | 94459 | 0 | None | -891 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 345 | 9 | 2 | 3 | 3.0 | CCCC[C@H](O)/C=C/[C@H]1CCC(=O)N1CCc1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2007.05.025 | ||
| CHEMBL251294 | 94459 | 0 | None | -891 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 345 | 9 | 2 | 3 | 3.0 | CCCC[C@H](O)/C=C/[C@H]1CCC(=O)N1CCc1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2007.05.025 | ||
| 11855870 | 146280 | 0 | None | 467 | 3 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 427 | 11 | 1 | 4 | 5.7 | CCCCCC(=O)c1ccc(N2C(=O)CC[C@@H]2CCCc2ccc(C(=O)O)s2)cc1 | nan | ||
| CHEMBL3920756 | 146280 | 0 | None | 467 | 3 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 427 | 11 | 1 | 4 | 5.7 | CCCCCC(=O)c1ccc(N2C(=O)CC[C@@H]2CCCc2ccc(C(=O)O)s2)cc1 | nan | ||
| 11855870 | 146280 | 0 | None | 467 | 3 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 427 | 11 | 1 | 4 | 5.7 | CCCCCC(=O)c1ccc(N2C(=O)CC[C@@H]2CCCc2ccc(C(=O)O)s2)cc1 | nan | ||
| CHEMBL3920756 | 146280 | 0 | None | 467 | 3 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 427 | 11 | 1 | 4 | 5.7 | CCCCCC(=O)c1ccc(N2C(=O)CC[C@@H]2CCCc2ccc(C(=O)O)s2)cc1 | nan | ||
| 71515516 | 148306 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 387 | 7 | 2 | 3 | 4.8 | O=C(O)COc1ccc(F)c(NCc2cccc(-c3cccc(F)c3)c2)c1F | nan | ||
| CHEMBL3936868 | 148306 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 387 | 7 | 2 | 3 | 4.8 | O=C(O)COc1ccc(F)c(NCc2cccc(-c3cccc(F)c3)c2)c1F | nan | ||
| 71516448 | 152560 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 421 | 7 | 3 | 4 | 4.7 | O=C(O)COc1ccc(F)c(NCc2cc(O)cc(-c3cccc(F)c3)c2F)c1F | nan | ||
| CHEMBL3971730 | 152560 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 421 | 7 | 3 | 4 | 4.7 | O=C(O)COc1ccc(F)c(NCc2cc(O)cc(-c3cccc(F)c3)c2F)c1F | nan | ||
| 57893848 | 75169 | 0 | None | -724 | 2 | Rat | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 535 | 10 | 2 | 8 | 4.9 | O=C(O)c1csc(SCCN2C(=O)CC[C@@H]2/C=C/[C@@H](O)Cc2cccc(-c3nc4ccccc4o3)c2)n1 | 10.1016/j.bmc.2012.04.008 | ||
| CHEMBL2036323 | 75169 | 0 | None | -724 | 2 | Rat | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 535 | 10 | 2 | 8 | 4.9 | O=C(O)c1csc(SCCN2C(=O)CC[C@@H]2/C=C/[C@@H](O)Cc2cccc(-c3nc4ccccc4o3)c2)n1 | 10.1016/j.bmc.2012.04.008 | ||
| 118517488 | 153711 | 0 | None | -14 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 414 | 8 | 2 | 3 | 4.4 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2cccc(F)c2F)cc1 | nan | ||
| CHEMBL3981554 | 153711 | 0 | None | -14 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 414 | 8 | 2 | 3 | 4.4 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2cccc(F)c2F)cc1 | nan | ||
| 58708286 | 154344 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 398 | 9 | 2 | 3 | 5.6 | O=C(O)CCC/C=C\C[C@H]1C(=O)CC[C@@H]1c1ccc([C@H](O)C2CCCCC2)cc1 | nan | ||
| CHEMBL3986874 | 154344 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 398 | 9 | 2 | 3 | 5.6 | O=C(O)CCC/C=C\C[C@H]1C(=O)CC[C@@H]1c1ccc([C@H](O)C2CCCCC2)cc1 | nan | ||
| 1929 | 1605 | 55 | None | -2 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 468 | 9 | 1 | 5 | 4.2 | OC(=O)COc1cccc(c1)CN(S(=O)(=O)c1cccnc1)Cc1ccc(cc1)C(C)(C)C | 10.1021/acs.jmedchem.8b00808 | ||
| 9890801 | 1605 | 55 | None | -2 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 468 | 9 | 1 | 5 | 4.2 | OC(=O)COc1cccc(c1)CN(S(=O)(=O)c1cccnc1)Cc1ccc(cc1)C(C)(C)C | 10.1021/acs.jmedchem.8b00808 | ||
| CHEMBL563646 | 1605 | 55 | None | -2 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 468 | 9 | 1 | 5 | 4.2 | OC(=O)COc1cccc(c1)CN(S(=O)(=O)c1cccnc1)Cc1ccc(cc1)C(C)(C)C | 10.1021/acs.jmedchem.8b00808 | ||
| DB12022 | 1605 | 55 | None | -2 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 468 | 9 | 1 | 5 | 4.2 | OC(=O)COc1cccc(c1)CN(S(=O)(=O)c1cccnc1)Cc1ccc(cc1)C(C)(C)C | 10.1021/acs.jmedchem.8b00808 | ||
| 89444254 | 142780 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 423 | 7 | 2 | 3 | 5.1 | O=C(O)COc1ccc(F)c(NCc2c(F)ccc(-c3cccc(F)c3)c2F)c1F | nan | ||
| CHEMBL3892751 | 142780 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 423 | 7 | 2 | 3 | 5.1 | O=C(O)COc1ccc(F)c(NCc2c(F)ccc(-c3cccc(F)c3)c2F)c1F | nan | ||
| 89443784 | 142906 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 431 | 8 | 2 | 4 | 5.2 | COc1c(C)cc(-c2cccc(F)c2)cc1CNc1c(F)ccc(OCC(=O)O)c1F | nan | ||
| CHEMBL3893770 | 142906 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 431 | 8 | 2 | 4 | 5.2 | COc1c(C)cc(-c2cccc(F)c2)cc1CNc1c(F)ccc(OCC(=O)O)c1F | nan | ||
| 89444126 | 147388 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 403 | 7 | 3 | 4 | 4.6 | O=C(O)COc1ccc(F)c(NCc2cc(O)cc(-c3cccc(F)c3)c2)c1F | nan | ||
| CHEMBL3929662 | 147388 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 403 | 7 | 3 | 4 | 4.6 | O=C(O)COc1ccc(F)c(NCc2cc(O)cc(-c3cccc(F)c3)c2)c1F | nan | ||
| 11955383 | 142533 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 358 | 7 | 2 | 3 | 4.2 | CC(C)(C)c1ccc([C@H]2[C@H](O)CC(=O)[C@@H]2C/C=C\CCCC(=O)O)cc1 | nan | ||
| CHEMBL3890808 | 142533 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 358 | 7 | 2 | 3 | 4.2 | CC(C)(C)c1ccc([C@H]2[C@H](O)CC(=O)[C@@H]2C/C=C\CCCC(=O)O)cc1 | nan | ||
| 53260155 | 171404 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 494 | 11 | 2 | 6 | 4.1 | CC(C)C1(c2ccc(CN(Cc3cccc(NCC(=O)O)n3)S(=O)(=O)c3cccnc3)cc2)CC1 | 10.1021/acs.jmedchem.8b00808 | ||
| CHEMBL4462507 | 171404 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 494 | 11 | 2 | 6 | 4.1 | CC(C)C1(c2ccc(CN(Cc3cccc(NCC(=O)O)n3)S(=O)(=O)c3cccnc3)cc2)CC1 | 10.1021/acs.jmedchem.8b00808 | ||
| 117703250 | 143639 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 419 | 7 | 2 | 3 | 5.5 | C[C@@H](Nc1c(F)ccc(OCC(=O)O)c1F)c1cc(-c2cccc(F)c2)ccc1F | nan | ||
| CHEMBL3899837 | 143639 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 419 | 7 | 2 | 3 | 5.5 | C[C@@H](Nc1c(F)ccc(OCC(=O)O)c1F)c1cc(-c2cccc(F)c2)ccc1F | nan | ||
| 89444132 | 143866 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 417 | 8 | 2 | 4 | 4.9 | COc1cc(CNc2c(F)ccc(OCC(=O)O)c2F)cc(-c2cccc(F)c2)c1 | nan | ||
| CHEMBL3901709 | 143866 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 417 | 8 | 2 | 4 | 4.9 | COc1cc(CNc2c(F)ccc(OCC(=O)O)c2F)cc(-c2cccc(F)c2)c1 | nan | ||
| 89443635 | 151904 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 415 | 7 | 2 | 3 | 5.5 | Cc1cc(OCC(=O)O)c(C)c(NCc2cc(-c3cccc(F)c3)ccc2F)c1F | nan | ||
| CHEMBL3965998 | 151904 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 415 | 7 | 2 | 3 | 5.5 | Cc1cc(OCC(=O)O)c(C)c(NCc2cc(-c3cccc(F)c3)ccc2F)c1F | nan | ||
| 57394893 | 71306 | 0 | None | -223 | 2 | Rat | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 494 | 10 | 2 | 6 | 4.8 | O=C(O)c1csc(SCCN2C(=O)CC[C@@H]2/C=C/[C@@H](O)Cc2cccc(-c3ccccc3)c2)n1 | 10.1016/j.bmc.2012.02.018 | ||
| CHEMBL1957435 | 71306 | 0 | None | -223 | 2 | Rat | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 494 | 10 | 2 | 6 | 4.8 | O=C(O)c1csc(SCCN2C(=O)CC[C@@H]2/C=C/[C@@H](O)Cc2cccc(-c3ccccc3)c2)n1 | 10.1016/j.bmc.2012.02.018 | ||
| 10291963 | 84708 | 0 | None | -3801 | 4 | Rat | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 359 | 10 | 2 | 3 | 3.4 | CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)N1CCc1ccc(C(=O)O)cc1 | 10.1016/j.bmc.2012.02.018 | ||
| CHEMBL222715 | 84708 | 0 | None | -3801 | 4 | Rat | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 359 | 10 | 2 | 3 | 3.4 | CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)N1CCc1ccc(C(=O)O)cc1 | 10.1016/j.bmc.2012.02.018 | ||
| 57394893 | 71306 | 0 | None | -223 | 2 | Rat | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 494 | 10 | 2 | 6 | 4.8 | O=C(O)c1csc(SCCN2C(=O)CC[C@@H]2/C=C/[C@@H](O)Cc2cccc(-c3ccccc3)c2)n1 | 10.1016/j.bmc.2012.04.008 | ||
| CHEMBL1957435 | 71306 | 0 | None | -223 | 2 | Rat | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 494 | 10 | 2 | 6 | 4.8 | O=C(O)c1csc(SCCN2C(=O)CC[C@@H]2/C=C/[C@@H](O)Cc2cccc(-c3ccccc3)c2)n1 | 10.1016/j.bmc.2012.04.008 | ||
| 11855867 | 145983 | 0 | None | 10 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 389 | 8 | 2 | 5 | 3.6 | CCC(O)c1ccc(N2C(=O)CC[C@@H]2COCc2ccc(C(=O)O)s2)cc1 | nan | ||
| CHEMBL3918349 | 145983 | 0 | None | 10 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 389 | 8 | 2 | 5 | 3.6 | CCC(O)c1ccc(N2C(=O)CC[C@@H]2COCc2ccc(C(=O)O)s2)cc1 | nan | ||
| 11855867 | 145983 | 0 | None | 10 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 389 | 8 | 2 | 5 | 3.6 | CCC(O)c1ccc(N2C(=O)CC[C@@H]2COCc2ccc(C(=O)O)s2)cc1 | nan | ||
| CHEMBL3918349 | 145983 | 0 | None | 10 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 389 | 8 | 2 | 5 | 3.6 | CCC(O)c1ccc(N2C(=O)CC[C@@H]2COCc2ccc(C(=O)O)s2)cc1 | nan | ||
| 44455115 | 95562 | 0 | None | -6 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 387 | 10 | 2 | 3 | 4.1 | CCCCC(C)(C)[C@H](O)/C=C/[C@H]1CCC(=O)N1CCc1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2007.11.020 | ||
| CHEMBL257658 | 95562 | 0 | None | -6 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 387 | 10 | 2 | 3 | 4.1 | CCCCC(C)(C)[C@H](O)/C=C/[C@H]1CCC(=O)N1CCc1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2007.11.020 | ||
| 1883 | 3082 | 75 | None | -2 | 12 | Rat | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.bmc.2012.02.018 | ||
| 1916 | 3082 | 75 | None | -2 | 12 | Rat | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.bmc.2012.02.018 | ||
| 5280360 | 3082 | 75 | None | -2 | 12 | Rat | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.bmc.2012.02.018 | ||
| 913 | 3082 | 75 | None | -2 | 12 | Rat | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.bmc.2012.02.018 | ||
| CHEMBL548 | 3082 | 75 | None | -2 | 12 | Rat | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.bmc.2012.02.018 | ||
| DB00917 | 3082 | 75 | None | -2 | 12 | Rat | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.bmc.2012.02.018 | ||
| 53259985 | 176477 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 497 | 10 | 2 | 6 | 4.3 | COc1ccc(S(=O)(=O)N(Cc2ccc(C(C)(C)C)cc2)Cc2cccc(NCC(=O)O)n2)cc1 | 10.1021/acs.jmedchem.8b00808 | ||
| CHEMBL4548451 | 176477 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 497 | 10 | 2 | 6 | 4.3 | COc1ccc(S(=O)(=O)N(Cc2ccc(C(C)(C)C)cc2)Cc2cccc(NCC(=O)O)n2)cc1 | 10.1021/acs.jmedchem.8b00808 | ||
| CHEMBL4596602 | 176477 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 497 | 10 | 2 | 6 | 4.3 | COc1ccc(S(=O)(=O)N(Cc2ccc(C(C)(C)C)cc2)Cc2cccc(NCC(=O)O)n2)cc1 | 10.1021/acs.jmedchem.8b00808 | ||
| 44442332 | 94527 | 0 | None | -97 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 341 | 9 | 1 | 2 | 4.2 | CCCC/C=C\C=C\[C@H]1CCC(=O)N1CCc1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2007.05.025 | ||
| CHEMBL251709 | 94527 | 0 | None | -97 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 341 | 9 | 1 | 2 | 4.2 | CCCC/C=C\C=C\[C@H]1CCC(=O)N1CCc1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2007.05.025 | ||
| 127026952 | 139361 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 451 | 6 | 2 | 6 | 4.9 | CC(C)c1cc(OC[C@H]2[C@H](O)C[C@@H]3O[C@@H](c4nc(C(=O)O)cs4)CC[C@@H]32)ccc1Cl | 10.1016/j.bmcl.2016.03.110 | ||
| CHEMBL3793020 | 139361 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 451 | 6 | 2 | 6 | 4.9 | CC(C)c1cc(OC[C@H]2[C@H](O)C[C@@H]3O[C@@H](c4nc(C(=O)O)cs4)CC[C@@H]32)ccc1Cl | 10.1016/j.bmcl.2016.03.110 | ||
| 59465581 | 144112 | 0 | None | 22 | 2 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 428 | 11 | 2 | 4 | 6.1 | CCCCCC(O)c1ccc([C@H]2CCC(=O)[C@@H]2CCCc2ccc(C(=O)O)s2)cc1 | nan | ||
| CHEMBL3903611 | 144112 | 0 | None | 22 | 2 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 428 | 11 | 2 | 4 | 6.1 | CCCCCC(O)c1ccc([C@H]2CCC(=O)[C@@H]2CCCc2ccc(C(=O)O)s2)cc1 | nan | ||
| 145966519 | 164399 | 0 | None | 15 | 2 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 437 | 10 | 2 | 6 | 5.2 | C[C@](O)(C/C=C/[C@H]1CCC(=O)[C@@H]1CCSc1nc(C(=O)O)cs1)CC1CCCC1 | 10.1016/j.bmc.2017.11.035 | ||
| CHEMBL4213312 | 164399 | 0 | None | 15 | 2 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 437 | 10 | 2 | 6 | 5.2 | C[C@](O)(C/C=C/[C@H]1CCC(=O)[C@@H]1CCSc1nc(C(=O)O)cs1)CC1CCCC1 | 10.1016/j.bmc.2017.11.035 | ||
| 44230429 | 176328 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 488 | 10 | 2 | 6 | 4.0 | O=C(O)CNc1cccc(CN(Cc2ccc(-c3ccccc3)cc2)S(=O)(=O)c2cccnc2)n1 | 10.1021/acs.jmedchem.8b00808 | ||
| CHEMBL4471378 | 176328 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 488 | 10 | 2 | 6 | 4.0 | O=C(O)CNc1cccc(CN(Cc2ccc(-c3ccccc3)cc2)S(=O)(=O)c2cccnc2)n1 | 10.1021/acs.jmedchem.8b00808 | ||
| CHEMBL4595426 | 176328 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 488 | 10 | 2 | 6 | 4.0 | O=C(O)CNc1cccc(CN(Cc2ccc(-c3ccccc3)cc2)S(=O)(=O)c2cccnc2)n1 | 10.1021/acs.jmedchem.8b00808 | ||
| 89443841 | 145895 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 407 | 7 | 2 | 3 | 5.8 | Cc1cc(-c2cccc(F)c2)cc(CNc2c(C)ccc(OCC(=O)O)c2C)c1C | nan | ||
| CHEMBL3917749 | 145895 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 407 | 7 | 2 | 3 | 5.8 | Cc1cc(-c2cccc(F)c2)cc(CNc2c(C)ccc(OCC(=O)O)c2C)c1C | nan | ||
| 89444231 | 146113 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 415 | 7 | 2 | 3 | 5.5 | Cc1cc(-c2cccc(F)c2)cc(CNc2c(F)ccc(OCC(=O)O)c2F)c1C | nan | ||
| CHEMBL3919482 | 146113 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 415 | 7 | 2 | 3 | 5.5 | Cc1cc(-c2cccc(F)c2)cc(CNc2c(F)ccc(OCC(=O)O)c2F)c1C | nan | ||
| 89443843 | 148797 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 433 | 7 | 2 | 3 | 5.6 | Cc1cc(-c2ccc(F)c(F)c2)cc(CNc2c(F)ccc(OCC(=O)O)c2F)c1C | nan | ||
| CHEMBL3940781 | 148797 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 433 | 7 | 2 | 3 | 5.6 | Cc1cc(-c2ccc(F)c(F)c2)cc(CNc2c(F)ccc(OCC(=O)O)c2F)c1C | nan | ||
| 89443583 | 150478 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 415 | 7 | 2 | 3 | 5.5 | Cc1cc(-c2cccc(F)c2)cc(CNc2c(F)ccc(OCC(=O)O)c2C)c1F | nan | ||
| CHEMBL3954347 | 150478 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 415 | 7 | 2 | 3 | 5.5 | Cc1cc(-c2cccc(F)c2)cc(CNc2c(F)ccc(OCC(=O)O)c2C)c1F | nan | ||
| 66857988 | 164122 | 0 | None | 1 | 3 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 428 | 12 | 2 | 7 | 4.0 | CCCCCC(C)(O)C/C=C/[C@H]1COC(=O)N1CCSc1nc(C(=O)O)cs1 | 10.1016/j.bmc.2017.11.035 | ||
| CHEMBL4209929 | 164122 | 0 | None | 1 | 3 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 428 | 12 | 2 | 7 | 4.0 | CCCCCC(C)(O)C/C=C/[C@H]1COC(=O)N1CCSc1nc(C(=O)O)cs1 | 10.1016/j.bmc.2017.11.035 | ||
| 5283086 | 203310 | 24 | None | -10 | 4 | Mouse | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O | 10.1016/s0960-894x(01)00359-6 | ||
| CHEMBL64804 | 203310 | 24 | None | -10 | 4 | Mouse | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O | 10.1016/s0960-894x(01)00359-6 | ||
| 118352285 | 139469 | 0 | None | 2398 | 2 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 406 | 5 | 2 | 5 | 4.2 | Cc1cc(OC[C@H]2[C@H](O)C[C@@H]3O[C@@H](c4ccc(C(=O)O)o4)CC[C@@H]32)ccc1Cl | 10.1016/j.bmcl.2016.03.110 | ||
| CHEMBL3794226 | 139469 | 0 | None | 2398 | 2 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 406 | 5 | 2 | 5 | 4.2 | Cc1cc(OC[C@H]2[C@H](O)C[C@@H]3O[C@@H](c4ccc(C(=O)O)o4)CC[C@@H]32)ccc1Cl | 10.1016/j.bmcl.2016.03.110 | ||
| 18376196 | 194922 | 0 | None | - | 1 | Rat | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 466 | 9 | 1 | 4 | 4.8 | CC(C)(C)c1ccc(CN(Cc2cccc(CCC(=O)O)c2)S(=O)(=O)c2ccccn2)cc1 | 10.1016/j.bmcl.2009.01.059 | ||
| CHEMBL541516 | 194922 | 0 | None | - | 1 | Rat | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 466 | 9 | 1 | 4 | 4.8 | CC(C)(C)c1ccc(CN(Cc2cccc(CCC(=O)O)c2)S(=O)(=O)c2ccccn2)cc1 | 10.1016/j.bmcl.2009.01.059 | ||
| 70815687 | 176546 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 466 | 10 | 2 | 6 | 3.4 | CC1(c2ccc(CN(Cc3cccc(NCC(=O)O)n3)S(=O)(=O)c3cccnc3)cc2)CC1 | 10.1021/acs.jmedchem.8b00808 | ||
| CHEMBL4515583 | 176546 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 466 | 10 | 2 | 6 | 3.4 | CC1(c2ccc(CN(Cc3cccc(NCC(=O)O)n3)S(=O)(=O)c3cccnc3)cc2)CC1 | 10.1021/acs.jmedchem.8b00808 | ||
| CHEMBL4597208 | 176546 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 466 | 10 | 2 | 6 | 3.4 | CC1(c2ccc(CN(Cc3cccc(NCC(=O)O)n3)S(=O)(=O)c3cccnc3)cc2)CC1 | 10.1021/acs.jmedchem.8b00808 | ||
| 138 | 3081 | 88 | None | -1 | 10 | Mouse | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | 10.1016/s0960-894x(01)00359-6 | ||
| 1882 | 3081 | 88 | None | -1 | 10 | Mouse | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | 10.1016/s0960-894x(01)00359-6 | ||
| 5280723 | 3081 | 88 | None | -1 | 10 | Mouse | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | 10.1016/s0960-894x(01)00359-6 | ||
| CHEMBL495 | 3081 | 88 | None | -1 | 10 | Mouse | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | 10.1016/s0960-894x(01)00359-6 | ||
| DB00770 | 3081 | 88 | None | -1 | 10 | Mouse | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | 10.1016/s0960-894x(01)00359-6 | ||
| 53260134 | 176262 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 485 | 9 | 2 | 5 | 4.4 | CC(C)(C)c1ccc(CN(Cc2cccc(NCC(=O)O)n2)S(=O)(=O)c2ccc(F)cc2)cc1 | 10.1021/acs.jmedchem.8b00808 | ||
| CHEMBL4466224 | 176262 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 485 | 9 | 2 | 5 | 4.4 | CC(C)(C)c1ccc(CN(Cc2cccc(NCC(=O)O)n2)S(=O)(=O)c2ccc(F)cc2)cc1 | 10.1021/acs.jmedchem.8b00808 | ||
| CHEMBL4594970 | 176262 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 485 | 9 | 2 | 5 | 4.4 | CC(C)(C)c1ccc(CN(Cc2cccc(NCC(=O)O)n2)S(=O)(=O)c2ccc(F)cc2)cc1 | 10.1021/acs.jmedchem.8b00808 | ||
| 53259986 | 176520 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 468 | 9 | 2 | 6 | 3.7 | CC(C)(C)c1ccc(CN(Cc2cccc(NCC(=O)O)n2)S(=O)(=O)c2ccccn2)cc1 | 10.1021/acs.jmedchem.8b00808 | ||
| CHEMBL4442505 | 176520 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 468 | 9 | 2 | 6 | 3.7 | CC(C)(C)c1ccc(CN(Cc2cccc(NCC(=O)O)n2)S(=O)(=O)c2ccccn2)cc1 | 10.1021/acs.jmedchem.8b00808 | ||
| CHEMBL4596979 | 176520 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 468 | 9 | 2 | 6 | 3.7 | CC(C)(C)c1ccc(CN(Cc2cccc(NCC(=O)O)n2)S(=O)(=O)c2ccccn2)cc1 | 10.1021/acs.jmedchem.8b00808 | ||
| 53259987 | 176498 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 468 | 9 | 2 | 6 | 3.7 | CC(C)(C)c1ccc(CN(Cc2cccc(NCC(=O)O)n2)S(=O)(=O)c2cccnc2)cc1 | 10.1021/acs.jmedchem.8b00808 | ||
| CHEMBL4591201 | 176498 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 468 | 9 | 2 | 6 | 3.7 | CC(C)(C)c1ccc(CN(Cc2cccc(NCC(=O)O)n2)S(=O)(=O)c2cccnc2)cc1 | 10.1021/acs.jmedchem.8b00808 | ||
| CHEMBL4596748 | 176498 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 468 | 9 | 2 | 6 | 3.7 | CC(C)(C)c1ccc(CN(Cc2cccc(NCC(=O)O)n2)S(=O)(=O)c2cccnc2)cc1 | 10.1021/acs.jmedchem.8b00808 | ||
| 9807448 | 203172 | 0 | None | 1 | 2 | Mouse | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 398 | 11 | 3 | 3 | 4.7 | CCC1([C@@H](O)C/C=C/[C@H]2[C@H](O)C[C@@H](Cl)[C@@H]2C/C=C\CCCC(=O)O)CCC1 | 10.1016/s0960-894x(01)00359-6 | ||
| CHEMBL64246 | 203172 | 0 | None | 1 | 2 | Mouse | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 398 | 11 | 3 | 3 | 4.7 | CCC1([C@@H](O)C/C=C/[C@H]2[C@H](O)C[C@@H](Cl)[C@@H]2C/C=C\CCCC(=O)O)CCC1 | 10.1016/s0960-894x(01)00359-6 | ||
| 118352215 | 139417 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 403 | 5 | 2 | 6 | 3.8 | Cc1ccc(OC[C@H]2[C@H](O)C[C@@H]3O[C@@H](c4nc(C(=O)O)cs4)CC[C@@H]32)cc1C | 10.1016/j.bmcl.2016.03.110 | ||
| CHEMBL3793797 | 139417 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 403 | 5 | 2 | 6 | 3.8 | Cc1ccc(OC[C@H]2[C@H](O)C[C@@H]3O[C@@H](c4nc(C(=O)O)cs4)CC[C@@H]32)cc1C | 10.1016/j.bmcl.2016.03.110 | ||
| 11855865 | 153277 | 0 | None | 35 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 445 | 12 | 2 | 5 | 5.2 | CCCCCCC(O)c1ccc(N2C(=O)CC[C@@H]2COCc2ccc(C(=O)O)s2)cc1 | nan | ||
| CHEMBL3977724 | 153277 | 0 | None | 35 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 445 | 12 | 2 | 5 | 5.2 | CCCCCCC(O)c1ccc(N2C(=O)CC[C@@H]2COCc2ccc(C(=O)O)s2)cc1 | nan | ||
| 10126807 | 195098 | 0 | None | - | 1 | Rat | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 405 | 8 | 1 | 4 | 3.4 | CC(C)(C)c1ccc(CN(Cc2cccc(OCC(=O)O)c2)S(C)(=O)=O)cc1 | 10.1016/j.bmcl.2009.01.059 | ||
| CHEMBL549869 | 195098 | 0 | None | - | 1 | Rat | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 405 | 8 | 1 | 4 | 3.4 | CC(C)(C)c1ccc(CN(Cc2cccc(OCC(=O)O)c2)S(C)(=O)=O)cc1 | 10.1016/j.bmcl.2009.01.059 | ||
| 11955273 | 152787 | 0 | None | - | 1 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 438 | 10 | 3 | 4 | 4.6 | O=C(O)COCCCC[C@@H]1[C@@H](c2ccc(C(O)C3CCCCC3)cc2)[C@H](O)C[C@H]1Cl | nan | ||
| CHEMBL3973644 | 152787 | 0 | None | - | 1 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 438 | 10 | 3 | 4 | 4.6 | O=C(O)COCCCC[C@@H]1[C@@H](c2ccc(C(O)C3CCCCC3)cc2)[C@H](O)C[C@H]1Cl | nan | ||
| 138107701 | 187464 | 46 | None | -1348 | 7 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 360 | 8 | 3 | 3 | 3.5 | CC#CCC(C)[C@H](O)/C=C/[C@@H]1[C@H]2C/C(=C/CCCC(=O)O)C[C@H]2C[C@H]1O | 10.1016/j.ejmech.2022.114154 | ||
| 5311181 | 187464 | 46 | None | -1348 | 7 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 360 | 8 | 3 | 3 | 3.5 | CC#CCC(C)[C@H](O)/C=C/[C@@H]1[C@H]2C/C(=C/CCCC(=O)O)C[C@H]2C[C@H]1O | 10.1016/j.ejmech.2022.114154 | ||
| CHEMBL494 | 187464 | 46 | None | -1348 | 7 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 360 | 8 | 3 | 3 | 3.5 | CC#CCC(C)[C@H](O)/C=C/[C@@H]1[C@H]2C/C(=C/CCCC(=O)O)C[C@H]2C[C@H]1O | 10.1016/j.ejmech.2022.114154 | ||
| 59465583 | 143274 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 398 | 9 | 2 | 3 | 5.6 | O=C(O)CCC/C=C\C[C@H]1C(=O)CC[C@@H]1c1ccc(C(O)C2CCCCC2)cc1 | nan | ||
| CHEMBL3896863 | 143274 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 398 | 9 | 2 | 3 | 5.6 | O=C(O)CCC/C=C\C[C@H]1C(=O)CC[C@@H]1c1ccc(C(O)C2CCCCC2)cc1 | nan | ||
| 11855594 | 152980 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 417 | 10 | 2 | 5 | 4.4 | CCCCC(O)c1ccc(N2C(=O)CC[C@@H]2COCc2ccc(C(=O)O)s2)cc1 | nan | ||
| CHEMBL3975238 | 152980 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 417 | 10 | 2 | 5 | 4.4 | CCCCC(O)c1ccc(N2C(=O)CC[C@@H]2COCc2ccc(C(=O)O)s2)cc1 | nan | ||
| 11855594 | 152980 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 417 | 10 | 2 | 5 | 4.4 | CCCCC(O)c1ccc(N2C(=O)CC[C@@H]2COCc2ccc(C(=O)O)s2)cc1 | nan | ||
| CHEMBL3975238 | 152980 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 417 | 10 | 2 | 5 | 4.4 | CCCCC(O)c1ccc(N2C(=O)CC[C@@H]2COCc2ccc(C(=O)O)s2)cc1 | nan | ||
| 11855871 | 146408 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 429 | 11 | 1 | 5 | 4.9 | CCCCCC(=O)c1ccc(N2C(=O)CC[C@@H]2COCc2ccc(C(=O)O)s2)cc1 | nan | ||
| CHEMBL3921784 | 146408 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 429 | 11 | 1 | 5 | 4.9 | CCCCCC(=O)c1ccc(N2C(=O)CC[C@@H]2COCc2ccc(C(=O)O)s2)cc1 | nan | ||
| 11855871 | 146408 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 429 | 11 | 1 | 5 | 4.9 | CCCCCC(=O)c1ccc(N2C(=O)CC[C@@H]2COCc2ccc(C(=O)O)s2)cc1 | nan | ||
| CHEMBL3921784 | 146408 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 429 | 11 | 1 | 5 | 4.9 | CCCCCC(=O)c1ccc(N2C(=O)CC[C@@H]2COCc2ccc(C(=O)O)s2)cc1 | nan | ||
| 54013831 | 146460 | 0 | None | 1 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 402 | 13 | 1 | 4 | 5.9 | CCCCCC(O)c1ccc([C@H]2CCC(=O)[C@@H]2CCCCCCC(=O)OC)cc1 | nan | ||
| CHEMBL3922151 | 146460 | 0 | None | 1 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 402 | 13 | 1 | 4 | 5.9 | CCCCCC(O)c1ccc([C@H]2CCC(=O)[C@@H]2CCCCCCC(=O)OC)cc1 | nan | ||
| 10363130 | 101035 | 1 | None | - | 1 | Mouse | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 392 | 12 | 3 | 4 | 4.0 | CCCC1([C@@H](O)C/C=C/[C@H]2[C@H](O)CC(=O)[C@@H]2C/C=C\CCCC(=O)O)CCC1 | 10.1016/s0960-894x(01)00359-6 | ||
| CHEMBL294585 | 101035 | 1 | None | - | 1 | Mouse | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 392 | 12 | 3 | 4 | 4.0 | CCCC1([C@@H](O)C/C=C/[C@H]2[C@H](O)CC(=O)[C@@H]2C/C=C\CCCC(=O)O)CCC1 | 10.1016/s0960-894x(01)00359-6 | ||
| 9975502 | 94489 | 0 | None | -14 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 355 | 9 | 1 | 2 | 4.6 | CCCC/C(C)=C/C=C/[C@H]1CCC(=O)N1CCc1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2007.05.025 | ||
| CHEMBL251504 | 94489 | 0 | None | -14 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 355 | 9 | 1 | 2 | 4.6 | CCCC/C(C)=C/C=C/[C@H]1CCC(=O)N1CCc1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2007.05.025 | ||
| 24760052 | 151185 | 0 | None | 24 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 427 | 10 | 2 | 4 | 5.4 | CCCCCC(O)c1ccc(N2C(=O)CC[C@@H]2/C=C/Cc2ccc(C(=O)O)s2)cc1 | nan | ||
| CHEMBL3959769 | 151185 | 0 | None | 24 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 427 | 10 | 2 | 4 | 5.4 | CCCCCC(O)c1ccc(N2C(=O)CC[C@@H]2/C=C/Cc2ccc(C(=O)O)s2)cc1 | nan | ||
| 70667255 | 151474 | 0 | None | 24 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 427 | 10 | 2 | 4 | 5.4 | CCCCCC(O)c1ccc(N2C(=O)CC[C@@H]2C=CCc2ccc(C(=O)O)s2)cc1 | nan | ||
| CHEMBL3962183 | 151474 | 0 | None | 24 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 427 | 10 | 2 | 4 | 5.4 | CCCCCC(O)c1ccc(N2C(=O)CC[C@@H]2C=CCc2ccc(C(=O)O)s2)cc1 | nan | ||
| 72950089 | 150591 | 0 | None | -4365 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 375 | 13 | 2 | 3 | 3.8 | CCCCC[C@H](O)/C=C/[C@H]1CC(F)(F)C(=O)N1CCCCCCC(=O)O | 10.1021/acs.jmedchem.9b00336 | ||
| CHEMBL3955128 | 150591 | 0 | None | -4365 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 375 | 13 | 2 | 3 | 3.8 | CCCCC[C@H](O)/C=C/[C@H]1CC(F)(F)C(=O)N1CCCCCCC(=O)O | 10.1021/acs.jmedchem.9b00336 | ||
| 11955180 | 151660 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 448 | 11 | 3 | 3 | 6.0 | CCCC1(C(O)c2ccc([C@H]3[C@H](O)C[C@@H](Cl)[C@@H]3C/C=C\CCCC(=O)O)cc2)CCC1 | nan | ||
| CHEMBL3963968 | 151660 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 448 | 11 | 3 | 3 | 6.0 | CCCC1(C(O)c2ccc([C@H]3[C@H](O)C[C@@H](Cl)[C@@H]3C/C=C\CCCC(=O)O)cc2)CCC1 | nan | ||
| 10089562 | 154422 | 0 | None | -1 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 355 | 9 | 1 | 2 | 4.6 | CCCC/C=C(C)/C=C/[C@H]1CCC(=O)N1CCc1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2007.05.025 | ||
| CHEMBL398948 | 154422 | 0 | None | -1 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 355 | 9 | 1 | 2 | 4.6 | CCCC/C=C(C)/C=C/[C@H]1CCC(=O)N1CCc1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2007.05.025 | ||
| 118352177 | 139412 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 437 | 6 | 1 | 6 | 4.8 | CO[C@H]1C[C@@H]2O[C@@H](c3nc(C(=O)O)cs3)CC[C@@H]2[C@H]1COc1ccc(Cl)c(C)c1 | 10.1016/j.bmcl.2016.03.110 | ||
| CHEMBL3793724 | 139412 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 437 | 6 | 1 | 6 | 4.8 | CO[C@H]1C[C@@H]2O[C@@H](c3nc(C(=O)O)cs3)CC[C@@H]2[C@H]1COc1ccc(Cl)c(C)c1 | 10.1016/j.bmcl.2016.03.110 | ||
| 127051064 | 140299 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 393 | 5 | 2 | 6 | 3.3 | O=C(O)c1csc([C@H]2CC[C@H]3[C@H](C[C@@H](O)[C@@H]3COc3ccccc3F)O2)n1 | 10.1021/acsmedchemlett.5b00455 | ||
| CHEMBL3806060 | 140299 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 393 | 5 | 2 | 6 | 3.3 | O=C(O)c1csc([C@H]2CC[C@H]3[C@H](C[C@@H](O)[C@@H]3COc3ccccc3F)O2)n1 | 10.1021/acsmedchemlett.5b00455 | ||
| 89443417 | 151592 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 421 | 7 | 2 | 3 | 5.5 | O=C(O)COc1ccc(F)c(NCc2cc(-c3cccc(F)c3)ccc2Cl)c1F | nan | ||
| CHEMBL3963438 | 151592 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 421 | 7 | 2 | 3 | 5.5 | O=C(O)COc1ccc(F)c(NCc2cc(-c3cccc(F)c3)ccc2Cl)c1F | nan | ||
| 44455046 | 95727 | 0 | None | -8317 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 413 | 8 | 2 | 3 | 3.7 | O=C(O)c1ccc(CCN2C(=O)CC[C@@H]2/C=C/[C@@H](O)Cc2cccc(Cl)c2)cc1 | 10.1016/j.bmcl.2007.11.020 | ||
| CHEMBL258332 | 95727 | 0 | None | -8317 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 413 | 8 | 2 | 3 | 3.7 | O=C(O)c1ccc(CCN2C(=O)CC[C@@H]2/C=C/[C@@H](O)Cc2cccc(Cl)c2)cc1 | 10.1016/j.bmcl.2007.11.020 | ||
| 56839536 | 143169 | 0 | None | -141 | 7 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 604 | 15 | 2 | 7 | 5.1 | CCCCCCCCNC(=O)c1coc([C@@H]2CCCN2Cc2cc(F)ccc2CCC(=O)NS(=O)(=O)C(F)(F)F)n1 | nan | ||
| CHEMBL3896035 | 143169 | 0 | None | -141 | 7 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 604 | 15 | 2 | 7 | 5.1 | CCCCCCCCNC(=O)c1coc([C@@H]2CCCN2Cc2cc(F)ccc2CCC(=O)NS(=O)(=O)C(F)(F)F)n1 | nan | ||
| 57529188 | 147195 | 0 | None | 19 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 415 | 11 | 2 | 5 | 4.3 | CCCCCC(O)c1ccc(N2C(=O)CC[C@@H]2COCc2ccc(C(=O)O)o2)cc1 | nan | ||
| CHEMBL3928130 | 147195 | 0 | None | 19 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 415 | 11 | 2 | 5 | 4.3 | CCCCCC(O)c1ccc(N2C(=O)CC[C@@H]2COCc2ccc(C(=O)O)o2)cc1 | nan | ||
| 89443813 | 151738 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 397 | 7 | 2 | 3 | 5.3 | Cc1ccc(OCC(=O)O)c(C)c1NCc1cc(-c2cccc(F)c2)ccc1F | nan | ||
| CHEMBL3964577 | 151738 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 397 | 7 | 2 | 3 | 5.3 | Cc1ccc(OCC(=O)O)c(C)c1NCc1cc(-c2cccc(F)c2)ccc1F | nan | ||
| 118517359 | 144396 | 0 | None | -79 | 4 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 456 | 8 | 2 | 3 | 4.8 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2cccc(Br)c2)cc1 | nan | ||
| CHEMBL3906016 | 144396 | 0 | None | -79 | 4 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 456 | 8 | 2 | 3 | 4.8 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2cccc(Br)c2)cc1 | nan | ||
| 57384034 | 71307 | 0 | None | -9 | 2 | Rat | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 528 | 10 | 2 | 6 | 5.4 | O=C(O)c1csc(SCCN2C(=O)CC[C@@H]2/C=C/[C@@H](O)Cc2cccc(-c3ccc(Cl)cc3)c2)n1 | 10.1016/j.bmc.2012.02.018 | ||
| CHEMBL1957436 | 71307 | 0 | None | -9 | 2 | Rat | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 528 | 10 | 2 | 6 | 5.4 | O=C(O)c1csc(SCCN2C(=O)CC[C@@H]2/C=C/[C@@H](O)Cc2cccc(-c3ccc(Cl)cc3)c2)n1 | 10.1016/j.bmc.2012.02.018 | ||
| 57384034 | 71307 | 0 | None | -9 | 2 | Rat | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 528 | 10 | 2 | 6 | 5.4 | O=C(O)c1csc(SCCN2C(=O)CC[C@@H]2/C=C/[C@@H](O)Cc2cccc(-c3ccc(Cl)cc3)c2)n1 | 10.1016/j.bmc.2012.04.008 | ||
| CHEMBL1957436 | 71307 | 0 | None | -9 | 2 | Rat | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 528 | 10 | 2 | 6 | 5.4 | O=C(O)c1csc(SCCN2C(=O)CC[C@@H]2/C=C/[C@@H](O)Cc2cccc(-c3ccc(Cl)cc3)c2)n1 | 10.1016/j.bmc.2012.04.008 | ||
| 11955194 | 151003 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 380 | 8 | 2 | 2 | 5.5 | CC(C)(C)c1ccc([C@H]2[C@H](O)C[C@@H](Cl)[C@@H]2CCCCCCC(=O)O)cc1 | nan | ||
| CHEMBL3958410 | 151003 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 380 | 8 | 2 | 2 | 5.5 | CC(C)(C)c1ccc([C@H]2[C@H](O)C[C@@H](Cl)[C@@H]2CCCCCCC(=O)O)cc1 | nan | ||
| 58708282 | 153124 | 0 | None | 1 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 412 | 11 | 2 | 3 | 6.0 | CCCC1([C@@H](O)c2cccc([C@H]3CCC(=O)[C@@H]3C/C=C\CCCC(=O)O)c2)CCC1 | nan | ||
| CHEMBL3976452 | 153124 | 0 | None | 1 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 412 | 11 | 2 | 3 | 6.0 | CCCC1([C@@H](O)c2cccc([C@H]3CCC(=O)[C@@H]3C/C=C\CCCC(=O)O)c2)CCC1 | nan | ||
| 58681352 | 154339 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 486 | 10 | 3 | 4 | 5.5 | CCCC1(C(O)c2cccc([C@H]3[C@H](O)C[C@@H](Cl)[C@@H]3Cc3cccc(OCC(=O)O)c3)c2)CCC1 | nan | ||
| CHEMBL3986829 | 154339 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 486 | 10 | 3 | 4 | 5.5 | CCCC1(C(O)c2cccc([C@H]3[C@H](O)C[C@@H](Cl)[C@@H]3Cc3cccc(OCC(=O)O)c3)c2)CCC1 | nan | ||
| 126495360 | 140234 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 389 | 5 | 2 | 6 | 3.4 | Cc1ccc(OC[C@H]2[C@H](O)C[C@@H]3O[C@@H](c4nc(C(=O)O)cs4)CC[C@@H]32)cc1 | 10.1021/acsmedchemlett.5b00455 | ||
| CHEMBL3805316 | 140234 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 389 | 5 | 2 | 6 | 3.4 | Cc1ccc(OC[C@H]2[C@H](O)C[C@@H]3O[C@@H](c4nc(C(=O)O)cs4)CC[C@@H]32)cc1 | 10.1021/acsmedchemlett.5b00455 | ||
| 11855866 | 144602 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 403 | 9 | 2 | 5 | 4.0 | CCCC(O)c1ccc(N2C(=O)CC[C@@H]2COCc2ccc(C(=O)O)s2)cc1 | nan | ||
| CHEMBL3907809 | 144602 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 403 | 9 | 2 | 5 | 4.0 | CCCC(O)c1ccc(N2C(=O)CC[C@@H]2COCc2ccc(C(=O)O)s2)cc1 | nan | ||
| 89443595 | 144961 | 5 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 412 | 7 | 2 | 4 | 4.7 | N#Cc1cc(CNc2c(F)ccc(OCC(=O)O)c2F)cc(-c2cccc(F)c2)c1 | nan | ||
| CHEMBL3910551 | 144961 | 5 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 412 | 7 | 2 | 4 | 4.7 | N#Cc1cc(CNc2c(F)ccc(OCC(=O)O)c2F)cc(-c2cccc(F)c2)c1 | nan | ||
| 57894053 | 75170 | 0 | None | -208 | 2 | Rat | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 551 | 10 | 2 | 8 | 5.4 | O=C(O)c1csc(SCCN2C(=O)CC[C@@H]2/C=C/[C@@H](O)Cc2cccc(-c3nc4ccccc4s3)c2)n1 | 10.1016/j.bmc.2012.04.008 | ||
| CHEMBL2036324 | 75170 | 0 | None | -208 | 2 | Rat | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 551 | 10 | 2 | 8 | 5.4 | O=C(O)c1csc(SCCN2C(=O)CC[C@@H]2/C=C/[C@@H](O)Cc2cccc(-c3nc4ccccc4s3)c2)n1 | 10.1016/j.bmc.2012.04.008 | ||
| 118517359 | 144396 | 0 | None | -79 | 4 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 456 | 8 | 2 | 3 | 4.8 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2cccc(Br)c2)cc1 | nan | ||
| CHEMBL3906016 | 144396 | 0 | None | -79 | 4 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 456 | 8 | 2 | 3 | 4.8 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2cccc(Br)c2)cc1 | nan | ||
| 126495420 | 140249 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 431 | 9 | 2 | 6 | 4.7 | O=C(O)c1csc([C@H]2CC[C@H]3[C@H](C[C@@H](O)[C@@H]3CCCCCOc3ccccc3)O2)n1 | 10.1021/acsmedchemlett.5b00455 | ||
| CHEMBL3805455 | 140249 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 431 | 9 | 2 | 6 | 4.7 | O=C(O)c1csc([C@H]2CC[C@H]3[C@H](C[C@@H](O)[C@@H]3CCCCCOc3ccccc3)O2)n1 | 10.1021/acsmedchemlett.5b00455 | ||
| 11855324 | 142605 | 0 | None | 14 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 371 | 6 | 1 | 4 | 4.0 | CC(C)(C)c1ccc(N2C(=O)CC[C@@H]2COCc2ccc(C(=O)O)o2)cc1 | nan | ||
| CHEMBL3891401 | 142605 | 0 | None | 14 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 371 | 6 | 1 | 4 | 4.0 | CC(C)(C)c1ccc(N2C(=O)CC[C@@H]2COCc2ccc(C(=O)O)o2)cc1 | nan | ||
| 71515514 | 147626 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 405 | 7 | 2 | 3 | 5.0 | O=C(O)COc1ccc(F)c(NCc2cc(-c3cccc(F)c3)ccc2F)c1F | nan | ||
| CHEMBL3931335 | 147626 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 405 | 7 | 2 | 3 | 5.0 | O=C(O)COc1ccc(F)c(NCc2cc(-c3cccc(F)c3)ccc2F)c1F | nan | ||
| 11955198 | 147243 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 436 | 10 | 3 | 3 | 5.8 | O=C(O)CCCCCC[C@@H]1[C@@H](c2ccc(C(O)C3CCCCC3)cc2)[C@H](O)C[C@H]1Cl | nan | ||
| CHEMBL3928466 | 147243 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 436 | 10 | 3 | 3 | 5.8 | O=C(O)CCCCCC[C@@H]1[C@@H](c2ccc(C(O)C3CCCCC3)cc2)[C@H](O)C[C@H]1Cl | nan | ||
| 155541719 | 176382 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 482 | 9 | 1 | 6 | 3.7 | CN(CC(=O)O)c1cccc(CN(Cc2ccc(C(C)(C)C)cc2)S(=O)(=O)c2cccnc2)n1 | 10.1021/acs.jmedchem.8b00808 | ||
| CHEMBL4519118 | 176382 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 482 | 9 | 1 | 6 | 3.7 | CN(CC(=O)O)c1cccc(CN(Cc2ccc(C(C)(C)C)cc2)S(=O)(=O)c2cccnc2)n1 | 10.1021/acs.jmedchem.8b00808 | ||
| CHEMBL4595870 | 176382 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 482 | 9 | 1 | 6 | 3.7 | CN(CC(=O)O)c1cccc(CN(Cc2ccc(C(C)(C)C)cc2)S(=O)(=O)c2cccnc2)n1 | 10.1021/acs.jmedchem.8b00808 | ||
| 132836 | 59695 | 23 | None | -3 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 388 | 13 | 2 | 3 | 5.8 | CCCCCC(O)c1ccc([C@H]2CCC(=O)[C@@H]2CCCCCCC(=O)O)cc1 | nan | ||
| CHEMBL1722929 | 59695 | 23 | None | -3 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 388 | 13 | 2 | 3 | 5.8 | CCCCCC(O)c1ccc([C@H]2CCC(=O)[C@@H]2CCCCCCC(=O)O)cc1 | nan | ||
| 155532079 | 171689 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 494 | 10 | 2 | 6 | 4.4 | O=C(O)CNc1cccc(CN(Cc2ccc(C3CCCCC3)cc2)S(=O)(=O)c2cccnc2)n1 | 10.1021/acs.jmedchem.8b00808 | ||
| CHEMBL4466523 | 171689 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 494 | 10 | 2 | 6 | 4.4 | O=C(O)CNc1cccc(CN(Cc2ccc(C3CCCCC3)cc2)S(=O)(=O)c2cccnc2)n1 | 10.1021/acs.jmedchem.8b00808 | ||
| 44455084 | 97867 | 0 | None | -10 | 2 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 399 | 10 | 2 | 3 | 4.2 | CCCCC1([C@@H](O)/C=C/[C@H]2CCC(=O)N2CCc2ccc(C(=O)O)cc2)CCC1 | 10.1016/j.bmcl.2007.11.020 | ||
| CHEMBL272277 | 97867 | 0 | None | -10 | 2 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 399 | 10 | 2 | 3 | 4.2 | CCCCC1([C@@H](O)/C=C/[C@H]2CCC(=O)N2CCc2ccc(C(=O)O)cc2)CCC1 | 10.1016/j.bmcl.2007.11.020 | ||
| 59465581 | 144112 | 0 | None | 22 | 2 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 428 | 11 | 2 | 4 | 6.1 | CCCCCC(O)c1ccc([C@H]2CCC(=O)[C@@H]2CCCc2ccc(C(=O)O)s2)cc1 | nan | ||
| CHEMBL3903611 | 144112 | 0 | None | 22 | 2 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 428 | 11 | 2 | 4 | 6.1 | CCCCCC(O)c1ccc([C@H]2CCC(=O)[C@@H]2CCCc2ccc(C(=O)O)s2)cc1 | nan | ||
| 89443767 | 145712 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 409 | 8 | 2 | 4 | 5.2 | COc1cc(CNc2c(C)ccc(OCC(=O)O)c2C)cc(-c2cccc(F)c2)c1 | nan | ||
| CHEMBL3916293 | 145712 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 409 | 8 | 2 | 4 | 5.2 | COc1cc(CNc2c(C)ccc(OCC(=O)O)c2C)cc(-c2cccc(F)c2)c1 | nan | ||
| 89443716 | 147026 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 397 | 7 | 2 | 3 | 5.3 | Cc1cc(CNc2c(F)ccc(OCC(=O)O)c2C)cc(-c2cccc(F)c2)c1 | nan | ||
| CHEMBL3926711 | 147026 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 397 | 7 | 2 | 3 | 5.3 | Cc1cc(CNc2c(F)ccc(OCC(=O)O)c2C)cc(-c2cccc(F)c2)c1 | nan | ||
| 89443671 | 147838 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 419 | 7 | 2 | 3 | 5.3 | Cc1c(F)cc(-c2cccc(F)c2)cc1CNc1c(F)ccc(OCC(=O)O)c1F | nan | ||
| CHEMBL3932999 | 147838 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 419 | 7 | 2 | 3 | 5.3 | Cc1c(F)cc(-c2cccc(F)c2)cc1CNc1c(F)ccc(OCC(=O)O)c1F | nan | ||
| 89445501 | 152276 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 411 | 7 | 2 | 3 | 5.6 | Cc1ccc(OCC(=O)O)c(C)c1NCc1cc(-c2cccc(F)c2)cc(F)c1C | nan | ||
| CHEMBL3969269 | 152276 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 411 | 7 | 2 | 3 | 5.6 | Cc1ccc(OCC(=O)O)c(C)c1NCc1cc(-c2cccc(F)c2)cc(F)c1C | nan | ||
| 89443873 | 153940 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 411 | 7 | 2 | 3 | 5.6 | Cc1cc(CNc2c(C)ccc(OCC(=O)O)c2C)c(F)c(-c2cccc(F)c2)c1 | nan | ||
| CHEMBL3983500 | 153940 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 411 | 7 | 2 | 3 | 5.6 | Cc1cc(CNc2c(C)ccc(OCC(=O)O)c2C)c(F)c(-c2cccc(F)c2)c1 | nan | ||
| 127051062 | 140274 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 409 | 5 | 2 | 6 | 3.8 | O=C(O)c1csc([C@H]2CC[C@H]3[C@H](C[C@@H](O)[C@@H]3COc3ccccc3Cl)O2)n1 | 10.1021/acsmedchemlett.5b00455 | ||
| CHEMBL3805767 | 140274 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 409 | 5 | 2 | 6 | 3.8 | O=C(O)c1csc([C@H]2CC[C@H]3[C@H](C[C@@H](O)[C@@H]3COc3ccccc3Cl)O2)n1 | 10.1021/acsmedchemlett.5b00455 | ||
| 46931421 | 176263 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 468 | 9 | 2 | 7 | 3.6 | O=C(O)CNc1cccc(CN(Cc2cc3ccccc3s2)S(=O)(=O)c2cccnc2)n1 | 10.1021/acs.jmedchem.8b00808 | ||
| CHEMBL4476670 | 176263 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 468 | 9 | 2 | 7 | 3.6 | O=C(O)CNc1cccc(CN(Cc2cc3ccccc3s2)S(=O)(=O)c2cccnc2)n1 | 10.1021/acs.jmedchem.8b00808 | ||
| CHEMBL4594971 | 176263 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 468 | 9 | 2 | 7 | 3.6 | O=C(O)CNc1cccc(CN(Cc2cc3ccccc3s2)S(=O)(=O)c2cccnc2)n1 | 10.1021/acs.jmedchem.8b00808 | ||
| 126495424 | 140255 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 389 | 5 | 2 | 6 | 3.4 | Cc1cccc(OC[C@H]2[C@H](O)C[C@@H]3O[C@@H](c4nc(C(=O)O)cs4)CC[C@@H]32)c1 | 10.1021/acsmedchemlett.5b00455 | ||
| CHEMBL3805554 | 140255 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 389 | 5 | 2 | 6 | 3.4 | Cc1cccc(OC[C@H]2[C@H](O)C[C@@H]3O[C@@H](c4nc(C(=O)O)cs4)CC[C@@H]32)c1 | 10.1021/acsmedchemlett.5b00455 | ||
| 127052615 | 140270 | 0 | None | 181 | 3 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 401 | 6 | 2 | 6 | 3.7 | O=C(O)c1csc([C@H]2CC[C@H]3[C@H](C[C@@H](O)[C@@H]3/C=C/COc3ccccc3)O2)n1 | 10.1021/acsmedchemlett.5b00455 | ||
| CHEMBL3805693 | 140270 | 0 | None | 181 | 3 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 401 | 6 | 2 | 6 | 3.7 | O=C(O)c1csc([C@H]2CC[C@H]3[C@H](C[C@@H](O)[C@@H]3/C=C/COc3ccccc3)O2)n1 | 10.1021/acsmedchemlett.5b00455 | ||
| 127027875 | 139416 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 409 | 5 | 2 | 6 | 3.8 | O=C(O)c1csc([C@H]2CC[C@H]3[C@H](C[C@@H](O)[C@@H]3COc3ccc(Cl)cc3)O2)n1 | 10.1016/j.bmcl.2016.03.110 | ||
| CHEMBL3793786 | 139416 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 409 | 5 | 2 | 6 | 3.8 | O=C(O)c1csc([C@H]2CC[C@H]3[C@H](C[C@@H](O)[C@@H]3COc3ccc(Cl)cc3)O2)n1 | 10.1016/j.bmcl.2016.03.110 | ||
| 127026954 | 139420 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 457 | 5 | 2 | 6 | 4.5 | Cc1cc(OC[C@H]2[C@H](O)C[C@@H]3O[C@@H](c4nc(C(=O)O)cs4)CC[C@@H]32)ccc1C(F)(F)F | 10.1016/j.bmcl.2016.03.110 | ||
| CHEMBL3793809 | 139420 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 457 | 5 | 2 | 6 | 4.5 | Cc1cc(OC[C@H]2[C@H](O)C[C@@H]3O[C@@H](c4nc(C(=O)O)cs4)CC[C@@H]32)ccc1C(F)(F)F | 10.1016/j.bmcl.2016.03.110 | ||
| 127027875 | 139416 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 409 | 5 | 2 | 6 | 3.8 | O=C(O)c1csc([C@H]2CC[C@H]3[C@H](C[C@@H](O)[C@@H]3COc3ccc(Cl)cc3)O2)n1 | 10.1021/acsmedchemlett.5b00455 | ||
| CHEMBL3793786 | 139416 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 409 | 5 | 2 | 6 | 3.8 | O=C(O)c1csc([C@H]2CC[C@H]3[C@H](C[C@@H](O)[C@@H]3COc3ccc(Cl)cc3)O2)n1 | 10.1021/acsmedchemlett.5b00455 | ||
| 127052614 | 140226 | 0 | None | 40 | 6 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 415 | 7 | 2 | 6 | 4.1 | O=C(O)c1csc([C@H]2CC[C@H]3[C@H](C[C@@H](O)[C@@H]3/C=C/CCOc3ccccc3)O2)n1 | 10.1021/acsmedchemlett.5b00455 | ||
| CHEMBL3805176 | 140226 | 0 | None | 40 | 6 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 415 | 7 | 2 | 6 | 4.1 | O=C(O)c1csc([C@H]2CC[C@H]3[C@H](C[C@@H](O)[C@@H]3/C=C/CCOc3ccccc3)O2)n1 | 10.1021/acsmedchemlett.5b00455 | ||
| 118517490 | 153155 | 0 | None | -12 | 4 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 414 | 8 | 2 | 3 | 4.4 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2ccc(F)c(F)c2)cc1 | nan | ||
| CHEMBL3976710 | 153155 | 0 | None | -12 | 4 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 414 | 8 | 2 | 3 | 4.4 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2ccc(F)c(F)c2)cc1 | nan | ||
| 44230723 | 176505 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 490 | 10 | 2 | 8 | 2.8 | O=C(O)CNc1cccc(CN(Cc2ccc(-c3ccnnc3)cc2)S(=O)(=O)c2cccnc2)n1 | 10.1021/acs.jmedchem.8b00808 | ||
| CHEMBL4473407 | 176505 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 490 | 10 | 2 | 8 | 2.8 | O=C(O)CNc1cccc(CN(Cc2ccc(-c3ccnnc3)cc2)S(=O)(=O)c2cccnc2)n1 | 10.1021/acs.jmedchem.8b00808 | ||
| CHEMBL4596867 | 176505 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 490 | 10 | 2 | 8 | 2.8 | O=C(O)CNc1cccc(CN(Cc2ccc(-c3ccnnc3)cc2)S(=O)(=O)c2cccnc2)n1 | 10.1021/acs.jmedchem.8b00808 | ||
| 134155748 | 151169 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 400 | 12 | 2 | 4 | 4.7 | CCCCCC(=O)c1ccc([C@H]2[C@H](O)CC(=O)[C@@H]2C/C=C\CCCC(=O)O)cc1 | nan | ||
| CHEMBL3959653 | 151169 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 400 | 12 | 2 | 4 | 4.7 | CCCCCC(=O)c1ccc([C@H]2[C@H](O)CC(=O)[C@@H]2C/C=C\CCCC(=O)O)cc1 | nan | ||
| 145965248 | 164230 | 0 | None | -9 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 439 | 10 | 2 | 6 | 5.4 | CC(C)(C)CC[C@](C)(O)C/C=C/[C@H]1CCC(=O)[C@@H]1CCSc1nc(C(=O)O)cs1 | 10.1016/j.bmc.2017.11.035 | ||
| CHEMBL4211120 | 164230 | 0 | None | -9 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 439 | 10 | 2 | 6 | 5.4 | CC(C)(C)CC[C@](C)(O)C/C=C/[C@H]1CCC(=O)[C@@H]1CCSc1nc(C(=O)O)cs1 | 10.1016/j.bmc.2017.11.035 | ||
| 11855867 | 145983 | 0 | None | 10 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 389 | 8 | 2 | 5 | 3.6 | CCC(O)c1ccc(N2C(=O)CC[C@@H]2COCc2ccc(C(=O)O)s2)cc1 | nan | ||
| CHEMBL3918349 | 145983 | 0 | None | 10 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 389 | 8 | 2 | 5 | 3.6 | CCC(O)c1ccc(N2C(=O)CC[C@@H]2COCc2ccc(C(=O)O)s2)cc1 | nan | ||
| 58681361 | 144681 | 0 | None | -33 | 3 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 318 | 8 | 2 | 3 | 3.5 | Cc1ccc([C@H]2[C@H](O)CC(=O)[C@@H]2CCCCCCC(=O)O)cc1 | nan | ||
| CHEMBL3908432 | 144681 | 0 | None | -33 | 3 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 318 | 8 | 2 | 3 | 3.5 | Cc1ccc([C@H]2[C@H](O)CC(=O)[C@@H]2CCCCCCC(=O)O)cc1 | nan | ||
| 44304181 | 203273 | 0 | None | -1 | 2 | Mouse | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 394 | 13 | 3 | 4 | 4.3 | CCCC1([C@@H](O)C/C=C/C2[C@H](O)CC(=O)[C@@H]2CCCCCCC(=O)O)CCC1 | 10.1016/s0960-894x(01)00359-6 | ||
| CHEMBL64663 | 203273 | 0 | None | -1 | 2 | Mouse | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 394 | 13 | 3 | 4 | 4.3 | CCCC1([C@@H](O)C/C=C/C2[C@H](O)CC(=O)[C@@H]2CCCCCCC(=O)O)CCC1 | 10.1016/s0960-894x(01)00359-6 | ||
| 58932683 | 75287 | 0 | None | -1995 | 2 | Rat | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 549 | 10 | 2 | 8 | 5.2 | Cc1ccc2nc(-c3cccc(C[C@H](O)/C=C/[C@H]4CCC(=O)N4CCSc4nc(C(=O)O)cs4)c3)oc2c1 | 10.1016/j.bmc.2012.04.008 | ||
| CHEMBL2037289 | 75287 | 0 | None | -1995 | 2 | Rat | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 549 | 10 | 2 | 8 | 5.2 | Cc1ccc2nc(-c3cccc(C[C@H](O)/C=C/[C@H]4CCC(=O)N4CCSc4nc(C(=O)O)cs4)c3)oc2c1 | 10.1016/j.bmc.2012.04.008 | ||
| 11955178 | 153787 | 0 | None | 1 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 448 | 11 | 3 | 3 | 6.0 | CCCC1(C(O)c2cccc([C@H]3[C@H](O)C[C@@H](Cl)[C@@H]3C/C=C\CCCC(=O)O)c2)CCC1 | nan | ||
| CHEMBL3982222 | 153787 | 0 | None | 1 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 448 | 11 | 3 | 3 | 6.0 | CCCC1(C(O)c2cccc([C@H]3[C@H](O)C[C@@H](Cl)[C@@H]3C/C=C\CCCC(=O)O)c2)CCC1 | nan | ||
| 44303980 | 168074 | 0 | None | 1 | 2 | Mouse | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 408 | 13 | 2 | 5 | 4.3 | CCCC1([C@@H](O)C/C=C/C2[C@H](O)CC(=O)[C@@H]2CCCCCCC(=O)OC)CCC1 | 10.1016/s0960-894x(01)00359-6 | ||
| CHEMBL432522 | 168074 | 0 | None | 1 | 2 | Mouse | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 408 | 13 | 2 | 5 | 4.3 | CCCC1([C@@H](O)C/C=C/C2[C@H](O)CC(=O)[C@@H]2CCCCCCC(=O)OC)CCC1 | 10.1016/s0960-894x(01)00359-6 | ||
| 1883 | 3082 | 75 | None | -6 | 12 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1021/acs.jmedchem.9b00336 | ||
| 1916 | 3082 | 75 | None | -6 | 12 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1021/acs.jmedchem.9b00336 | ||
| 5280360 | 3082 | 75 | None | -6 | 12 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1021/acs.jmedchem.9b00336 | ||
| 913 | 3082 | 75 | None | -6 | 12 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1021/acs.jmedchem.9b00336 | ||
| CHEMBL548 | 3082 | 75 | None | -6 | 12 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1021/acs.jmedchem.9b00336 | ||
| DB00917 | 3082 | 75 | None | -6 | 12 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1021/acs.jmedchem.9b00336 | ||
| 17757350 | 152754 | 0 | None | 870 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 413 | 12 | 3 | 4 | 5.1 | CCCCCC(O)c1ccc([C@@H]2[C@@H](C/C=C\CCCC(=O)O)[C@H](C#N)C[C@H]2O)cc1 | nan | ||
| CHEMBL3973347 | 152754 | 0 | None | 870 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 413 | 12 | 3 | 4 | 5.1 | CCCCCC(O)c1ccc([C@@H]2[C@@H](C/C=C\CCCC(=O)O)[C@H](C#N)C[C@H]2O)cc1 | nan | ||
| 89444121 | 147432 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 421 | 7 | 2 | 3 | 5.5 | O=C(O)COc1ccc(F)c(NCc2cc(-c3cccc(F)c3)ccc2F)c1Cl | nan | ||
| CHEMBL3929987 | 147432 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 421 | 7 | 2 | 3 | 5.5 | O=C(O)COc1ccc(F)c(NCc2cc(-c3cccc(F)c3)ccc2F)c1Cl | nan | ||
| 45271237 | 195099 | 0 | None | - | 1 | Rat | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 403 | 11 | 1 | 3 | 4.0 | CCCCc1ccc(CN(Cc2cccc(CCC(=O)O)c2)S(C)(=O)=O)cc1 | 10.1016/j.bmcl.2009.01.059 | ||
| CHEMBL549870 | 195099 | 0 | None | - | 1 | Rat | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 403 | 11 | 1 | 3 | 4.0 | CCCCc1ccc(CN(Cc2cccc(CCC(=O)O)c2)S(C)(=O)=O)cc1 | 10.1016/j.bmcl.2009.01.059 | ||
| 66858036 | 163891 | 0 | None | -93 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 468 | 10 | 2 | 7 | 4.8 | C[C@@H]1OC(=O)N(CCSc2nc(C(=O)O)cs2)[C@H]1/C=C/CC(C)(O)CC1CCCCC1 | 10.1016/j.bmc.2017.11.035 | ||
| CHEMBL4207054 | 163891 | 0 | None | -93 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 468 | 10 | 2 | 7 | 4.8 | C[C@@H]1OC(=O)N(CCSc2nc(C(=O)O)cs2)[C@H]1/C=C/CC(C)(O)CC1CCCCC1 | 10.1016/j.bmc.2017.11.035 | ||
| 59465599 | 146561 | 0 | None | 1 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 414 | 12 | 2 | 3 | 6.2 | CCCC1(C(O)c2cccc([C@H]3CCC(=O)[C@@H]3CCCCCCC(=O)O)c2)CCC1 | nan | ||
| CHEMBL3922856 | 146561 | 0 | None | 1 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 414 | 12 | 2 | 3 | 6.2 | CCCC1(C(O)c2cccc([C@H]3CCC(=O)[C@@H]3CCCCCCC(=O)O)c2)CCC1 | nan | ||
| 59465600 | 151698 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 388 | 13 | 2 | 3 | 5.3 | CCCCC(O)Cc1ccc([C@H]2CCC(=O)[C@@H]2CCCCCCC(=O)O)cc1 | nan | ||
| CHEMBL3964261 | 151698 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 388 | 13 | 2 | 3 | 5.3 | CCCCC(O)Cc1ccc([C@H]2CCC(=O)[C@@H]2CCCCCCC(=O)O)cc1 | nan | ||
| 58681358 | 150659 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 420 | 10 | 2 | 2 | 6.3 | O=C(O)CCCCCC[C@@H]1[C@@H](c2ccc(CC3CCCCC3)cc2)[C@H](O)C[C@H]1Cl | nan | ||
| CHEMBL3955642 | 150659 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 420 | 10 | 2 | 2 | 6.3 | O=C(O)CCCCCC[C@@H]1[C@@H](c2ccc(CC3CCCCC3)cc2)[C@H](O)C[C@H]1Cl | nan | ||
| 44442331 | 94490 | 0 | None | -346 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 355 | 9 | 1 | 2 | 4.6 | CCCC/C(C)=C\C=C\[C@H]1CCC(=O)N1CCc1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2007.05.025 | ||
| CHEMBL251505 | 94490 | 0 | None | -346 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 355 | 9 | 1 | 2 | 4.6 | CCCC/C(C)=C\C=C\[C@H]1CCC(=O)N1CCc1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2007.05.025 | ||
| 44230430 | 176370 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 506 | 10 | 2 | 6 | 4.2 | O=C(O)CNc1cccc(CN(Cc2ccc(-c3ccc(F)cc3)cc2)S(=O)(=O)c2cccnc2)n1 | 10.1021/acs.jmedchem.8b00808 | ||
| CHEMBL4449902 | 176370 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 506 | 10 | 2 | 6 | 4.2 | O=C(O)CNc1cccc(CN(Cc2ccc(-c3ccc(F)cc3)cc2)S(=O)(=O)c2cccnc2)n1 | 10.1021/acs.jmedchem.8b00808 | ||
| CHEMBL4595790 | 176370 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 506 | 10 | 2 | 6 | 4.2 | O=C(O)CNc1cccc(CN(Cc2ccc(-c3ccc(F)cc3)cc2)S(=O)(=O)c2cccnc2)n1 | 10.1021/acs.jmedchem.8b00808 | ||
| 71515518 | 142806 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 401 | 7 | 2 | 3 | 5.2 | Cc1cc(CNc2c(F)ccc(OCC(=O)O)c2F)cc(-c2cccc(F)c2)c1 | nan | ||
| CHEMBL3892911 | 142806 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 401 | 7 | 2 | 3 | 5.2 | Cc1cc(CNc2c(F)ccc(OCC(=O)O)c2F)cc(-c2cccc(F)c2)c1 | nan | ||
| 89443584 | 145177 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 415 | 7 | 2 | 3 | 5.5 | Cc1cc(CNc2c(F)ccc(OCC(=O)O)c2C)c(F)c(-c2cccc(F)c2)c1 | nan | ||
| CHEMBL3912323 | 145177 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 415 | 7 | 2 | 3 | 5.5 | Cc1cc(CNc2c(F)ccc(OCC(=O)O)c2C)c(F)c(-c2cccc(F)c2)c1 | nan | ||
| 118517361 | 153370 | 0 | None | -107 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 446 | 8 | 2 | 3 | 5.1 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2cccc(C(F)(F)F)c2)cc1 | nan | ||
| CHEMBL3978590 | 153370 | 0 | None | -107 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 446 | 8 | 2 | 3 | 5.1 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2cccc(C(F)(F)F)c2)cc1 | nan | ||
| 155542681 | 176600 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 474 | 9 | 2 | 7 | 3.7 | CC(C)(C)c1ccc(CN(Cc2csc(NCC(=O)O)n2)S(=O)(=O)c2cccnc2)cc1 | 10.1021/acs.jmedchem.8b00808 | ||
| CHEMBL4521659 | 176600 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 474 | 9 | 2 | 7 | 3.7 | CC(C)(C)c1ccc(CN(Cc2csc(NCC(=O)O)n2)S(=O)(=O)c2cccnc2)cc1 | 10.1021/acs.jmedchem.8b00808 | ||
| CHEMBL4597685 | 176600 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 474 | 9 | 2 | 7 | 3.7 | CC(C)(C)c1ccc(CN(Cc2csc(NCC(=O)O)n2)S(=O)(=O)c2cccnc2)cc1 | 10.1021/acs.jmedchem.8b00808 | ||
| 11955156 | 148454 | 1 | None | -2 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 428 | 11 | 3 | 4 | 4.9 | CCCC1(C(O)c2cccc([C@H]3[C@H](O)CC(=O)[C@@H]3C/C=C\CCCC(=O)O)c2)CCC1 | nan | ||
| CHEMBL3937945 | 148454 | 1 | None | -2 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 428 | 11 | 3 | 4 | 4.9 | CCCC1(C(O)c2cccc([C@H]3[C@H](O)CC(=O)[C@@H]3C/C=C\CCCC(=O)O)c2)CCC1 | nan | ||
| 118689427 | 151852 | 0 | None | -8 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 519 | 10 | 2 | 6 | 3.8 | O=C(O)c1ccc(CCCN2[C@@H](/C=C/C(O)Cc3cccc(OC(F)(F)F)c3)CCS2(=O)=O)s1 | nan | ||
| CHEMBL3965497 | 151852 | 0 | None | -8 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 519 | 10 | 2 | 6 | 3.8 | O=C(O)c1ccc(CCCN2[C@@H](/C=C/C(O)Cc3cccc(OC(F)(F)F)c3)CCS2(=O)=O)s1 | nan | ||
| 57893982 | 75164 | 0 | None | -25 | 2 | Rat | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 508 | 10 | 2 | 6 | 5.1 | Cc1ccc(-c2cccc(C[C@H](O)/C=C/[C@H]3CCC(=O)N3CCSc3nc(C(=O)O)cs3)c2)cc1 | 10.1016/j.bmc.2012.04.008 | ||
| CHEMBL2036318 | 75164 | 0 | None | -25 | 2 | Rat | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 508 | 10 | 2 | 6 | 5.1 | Cc1ccc(-c2cccc(C[C@H](O)/C=C/[C@H]3CCC(=O)N3CCSc3nc(C(=O)O)cs3)c2)cc1 | 10.1016/j.bmc.2012.04.008 | ||
| 11955259 | 146759 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 436 | 9 | 3 | 4 | 4.4 | O=C(O)COC/C=C\C[C@@H]1[C@@H](c2ccc(C(O)C3CCCCC3)cc2)[C@H](O)C[C@H]1Cl | nan | ||
| CHEMBL3924405 | 146759 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 436 | 9 | 3 | 4 | 4.4 | O=C(O)COC/C=C\C[C@@H]1[C@@H](c2ccc(C(O)C3CCCCC3)cc2)[C@H](O)C[C@H]1Cl | nan | ||
| 57529188 | 147195 | 0 | None | 19 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 415 | 11 | 2 | 5 | 4.3 | CCCCCC(O)c1ccc(N2C(=O)CC[C@@H]2COCc2ccc(C(=O)O)o2)cc1 | nan | ||
| CHEMBL3928130 | 147195 | 0 | None | 19 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 415 | 11 | 2 | 5 | 4.3 | CCCCCC(O)c1ccc(N2C(=O)CC[C@@H]2COCc2ccc(C(=O)O)o2)cc1 | nan | ||
| 57529188 | 147195 | 0 | None | 19 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 415 | 11 | 2 | 5 | 4.3 | CCCCCC(O)c1ccc(N2C(=O)CC[C@@H]2COCc2ccc(C(=O)O)o2)cc1 | nan | ||
| CHEMBL3928130 | 147195 | 0 | None | 19 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 415 | 11 | 2 | 5 | 4.3 | CCCCCC(O)c1ccc(N2C(=O)CC[C@@H]2COCc2ccc(C(=O)O)o2)cc1 | nan | ||
| 44303626 | 168182 | 0 | None | - | 1 | Mouse | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 398 | 11 | 3 | 3 | 4.7 | CCC1([C@@H](O)C/C=C/[C@H]2[C@H](O)C[C@H](Cl)[C@@H]2C/C=C\CCCC(=O)O)CCC1 | 10.1016/s0960-894x(01)00359-6 | ||
| CHEMBL433249 | 168182 | 0 | None | - | 1 | Mouse | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 398 | 11 | 3 | 3 | 4.7 | CCC1([C@@H](O)C/C=C/[C@H]2[C@H](O)C[C@H](Cl)[C@@H]2C/C=C\CCCC(=O)O)CCC1 | 10.1016/s0960-894x(01)00359-6 | ||
| 56839344 | 152051 | 0 | None | -12882 | 8 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 656 | 13 | 2 | 9 | 5.1 | O=C(CCc1cc2c(cc1CN1CCC[C@H]1c1nc(C(=O)NCCCCC3CCCCC3)co1)OCO2)NS(=O)(=O)C(F)(F)F | nan | ||
| CHEMBL3967284 | 152051 | 0 | None | -12882 | 8 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 656 | 13 | 2 | 9 | 5.1 | O=C(CCc1cc2c(cc1CN1CCC[C@H]1c1nc(C(=O)NCCCCC3CCCCC3)co1)OCO2)NS(=O)(=O)C(F)(F)F | nan | ||
| 11955196 | 144422 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 434 | 9 | 3 | 3 | 5.6 | O=C(O)CCC/C=C\C[C@@H]1[C@@H](c2ccc(C(O)C3CCCCC3)cc2)[C@H](O)C[C@H]1Cl | nan | ||
| CHEMBL3906280 | 144422 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 434 | 9 | 3 | 3 | 5.6 | O=C(O)CCC/C=C\C[C@@H]1[C@@H](c2ccc(C(O)C3CCCCC3)cc2)[C@H](O)C[C@H]1Cl | nan | ||
| 44444722 | 94256 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 402 | 11 | 2 | 4 | 3.5 | CCCC1(C(O)CCCN2CCC(=O)N2CCc2ccc(C(=O)O)cc2)CCC1 | 10.1016/j.bmcl.2007.09.074 | ||
| CHEMBL250153 | 94256 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 402 | 11 | 2 | 4 | 3.5 | CCCC1(C(O)CCCN2CCC(=O)N2CCc2ccc(C(=O)O)cc2)CCC1 | 10.1016/j.bmcl.2007.09.074 | ||
| 17751059 | 148268 | 0 | None | 3 | 2 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 440 | 12 | 2 | 2 | 6.8 | CCCCCC(O)c1ccc([C@H]2[C@H](Cl)C[C@@H](Cl)[C@@H]2C/C=C\CCCC(=O)O)cc1 | nan | ||
| CHEMBL3936540 | 148268 | 0 | None | 3 | 2 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 440 | 12 | 2 | 2 | 6.8 | CCCCCC(O)c1ccc([C@H]2[C@H](Cl)C[C@@H](Cl)[C@@H]2C/C=C\CCCC(=O)O)cc1 | nan | ||
| 17757350 | 152754 | 0 | None | 870 | 2 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 413 | 12 | 3 | 4 | 5.1 | CCCCCC(O)c1ccc([C@@H]2[C@@H](C/C=C\CCCC(=O)O)[C@H](C#N)C[C@H]2O)cc1 | nan | ||
| CHEMBL3973347 | 152754 | 0 | None | 870 | 2 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 413 | 12 | 3 | 4 | 5.1 | CCCCCC(O)c1ccc([C@@H]2[C@@H](C/C=C\CCCC(=O)O)[C@H](C#N)C[C@H]2O)cc1 | nan | ||
| 89444221 | 144280 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 430 | 8 | 3 | 4 | 3.9 | NC(=O)c1cc(CNc2c(F)ccc(OCC(=O)O)c2F)cc(-c2cccc(F)c2)c1 | nan | ||
| CHEMBL3904996 | 144280 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 430 | 8 | 3 | 4 | 3.9 | NC(=O)c1cc(CNc2c(F)ccc(OCC(=O)O)c2F)cc(-c2cccc(F)c2)c1 | nan | ||
| 53259981 | 176350 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 467 | 9 | 2 | 5 | 4.3 | CC(C)(C)c1ccc(CN(Cc2cccc(NCC(=O)O)n2)S(=O)(=O)c2ccccc2)cc1 | 10.1021/acs.jmedchem.8b00808 | ||
| CHEMBL4456588 | 176350 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 467 | 9 | 2 | 5 | 4.3 | CC(C)(C)c1ccc(CN(Cc2cccc(NCC(=O)O)n2)S(=O)(=O)c2ccccc2)cc1 | 10.1021/acs.jmedchem.8b00808 | ||
| CHEMBL4595646 | 176350 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 467 | 9 | 2 | 5 | 4.3 | CC(C)(C)c1ccc(CN(Cc2cccc(NCC(=O)O)n2)S(=O)(=O)c2ccccc2)cc1 | 10.1021/acs.jmedchem.8b00808 | ||
| 53259984 | 176535 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 501 | 9 | 2 | 5 | 4.9 | CC(C)(C)c1ccc(CN(Cc2cccc(NCC(=O)O)n2)S(=O)(=O)c2ccc(Cl)cc2)cc1 | 10.1021/acs.jmedchem.8b00808 | ||
| CHEMBL4447271 | 176535 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 501 | 9 | 2 | 5 | 4.9 | CC(C)(C)c1ccc(CN(Cc2cccc(NCC(=O)O)n2)S(=O)(=O)c2ccc(Cl)cc2)cc1 | 10.1021/acs.jmedchem.8b00808 | ||
| CHEMBL4597100 | 176535 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 501 | 9 | 2 | 5 | 4.9 | CC(C)(C)c1ccc(CN(Cc2cccc(NCC(=O)O)n2)S(=O)(=O)c2ccc(Cl)cc2)cc1 | 10.1021/acs.jmedchem.8b00808 | ||
| 53260154 | 171131 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 480 | 11 | 2 | 6 | 3.8 | CCC1(c2ccc(CN(Cc3cccc(NCC(=O)O)n3)S(=O)(=O)c3cccnc3)cc2)CC1 | 10.1021/acs.jmedchem.8b00808 | ||
| CHEMBL4458330 | 171131 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 480 | 11 | 2 | 6 | 3.8 | CCC1(c2ccc(CN(Cc3cccc(NCC(=O)O)n3)S(=O)(=O)c3cccnc3)cc2)CC1 | 10.1021/acs.jmedchem.8b00808 | ||
| 11955276 | 150751 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 358 | 7 | 3 | 4 | 2.9 | O=C(O)CCC/C=C\C[C@H]1C(=O)C[C@@H](O)[C@@H]1c1ccc2c(c1)CCC2O | nan | ||
| CHEMBL3956391 | 150751 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 358 | 7 | 3 | 4 | 2.9 | O=C(O)CCC/C=C\C[C@H]1C(=O)C[C@@H](O)[C@@H]1c1ccc2c(c1)CCC2O | nan | ||
| 22246893 | 195952 | 0 | None | - | 1 | Rat | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 371 | 13 | 1 | 4 | 2.7 | CCCCc1ccc(CN(CCCCOCC(=O)O)S(C)(=O)=O)cc1 | 10.1016/j.bmcl.2009.01.059 | ||
| CHEMBL559561 | 195952 | 0 | None | - | 1 | Rat | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 371 | 13 | 1 | 4 | 2.7 | CCCCc1ccc(CN(CCCCOCC(=O)O)S(C)(=O)=O)cc1 | 10.1016/j.bmcl.2009.01.059 | ||
| 11855588 | 147357 | 0 | None | 12 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 345 | 8 | 1 | 2 | 4.9 | CC(C)(C)c1ccc(N2C(=O)CC[C@@H]2CCCCCCC(=O)O)cc1 | nan | ||
| CHEMBL3929446 | 147357 | 0 | None | 12 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 345 | 8 | 1 | 2 | 4.9 | CC(C)(C)c1ccc(N2C(=O)CC[C@@H]2CCCCCCC(=O)O)cc1 | nan | ||
| 11855588 | 147357 | 0 | None | 12 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 345 | 8 | 1 | 2 | 4.9 | CC(C)(C)c1ccc(N2C(=O)CC[C@@H]2CCCCCCC(=O)O)cc1 | nan | ||
| CHEMBL3929446 | 147357 | 0 | None | 12 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 345 | 8 | 1 | 2 | 4.9 | CC(C)(C)c1ccc(N2C(=O)CC[C@@H]2CCCCCCC(=O)O)cc1 | nan | ||
| 22246765 | 195198 | 0 | None | - | 1 | Rat | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 403 | 11 | 1 | 3 | 3.7 | CCCCc1ccc(CN(CCc2ccc(CC(=O)O)cc2)S(C)(=O)=O)cc1 | 10.1016/j.bmcl.2009.01.059 | ||
| CHEMBL550619 | 195198 | 0 | None | - | 1 | Rat | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 403 | 11 | 1 | 3 | 3.7 | CCCCc1ccc(CN(CCc2ccc(CC(=O)O)cc2)S(C)(=O)=O)cc1 | 10.1016/j.bmcl.2009.01.059 | ||
| 22246895 | 195564 | 0 | None | - | 1 | Rat | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 399 | 14 | 2 | 4 | 3.7 | CCCCC(O)c1ccc(CN(CCCCCCC(=O)O)S(C)(=O)=O)cc1 | 10.1016/j.bmcl.2009.01.059 | ||
| CHEMBL554823 | 195564 | 0 | None | - | 1 | Rat | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 399 | 14 | 2 | 4 | 3.7 | CCCCC(O)c1ccc(CN(CCCCCCC(=O)O)S(C)(=O)=O)cc1 | 10.1016/j.bmcl.2009.01.059 | ||
| 11855866 | 144602 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 403 | 9 | 2 | 5 | 4.0 | CCCC(O)c1ccc(N2C(=O)CC[C@@H]2COCc2ccc(C(=O)O)s2)cc1 | nan | ||
| CHEMBL3907809 | 144602 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 403 | 9 | 2 | 5 | 4.0 | CCCC(O)c1ccc(N2C(=O)CC[C@@H]2COCc2ccc(C(=O)O)s2)cc1 | nan | ||
| 11855866 | 144602 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 403 | 9 | 2 | 5 | 4.0 | CCCC(O)c1ccc(N2C(=O)CC[C@@H]2COCc2ccc(C(=O)O)s2)cc1 | nan | ||
| CHEMBL3907809 | 144602 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 403 | 9 | 2 | 5 | 4.0 | CCCC(O)c1ccc(N2C(=O)CC[C@@H]2COCc2ccc(C(=O)O)s2)cc1 | nan | ||
| 57564500 | 151210 | 0 | None | 2 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 440 | 12 | 2 | 2 | 6.8 | CCCCCC(O)c1ccc([C@H]2[C@@H](Cl)C[C@@H](Cl)[C@@H]2C/C=C\CCCC(=O)O)cc1 | nan | ||
| CHEMBL3959926 | 151210 | 0 | None | 2 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 440 | 12 | 2 | 2 | 6.8 | CCCCCC(O)c1ccc([C@H]2[C@@H](Cl)C[C@@H](Cl)[C@@H]2C/C=C\CCCC(=O)O)cc1 | nan | ||
| 44230997 | 170537 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 479 | 10 | 2 | 9 | 1.9 | O=C(O)CNc1cccc(CN(Cc2ccc(-n3cncn3)cc2)S(=O)(=O)c2cccnc2)n1 | 10.1021/acs.jmedchem.8b00808 | ||
| CHEMBL4449855 | 170537 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 479 | 10 | 2 | 9 | 1.9 | O=C(O)CNc1cccc(CN(Cc2ccc(-n3cncn3)cc2)S(=O)(=O)c2cccnc2)n1 | 10.1021/acs.jmedchem.8b00808 | ||
| 44304199 | 100817 | 0 | None | - | 1 | Mouse | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 392 | 12 | 3 | 4 | 4.0 | CCCC1([C@@H](O)C/C=C/C2[C@H](O)CC(=O)[C@@H]2C/C=C/CCCC(=O)O)CCC1 | 10.1016/s0960-894x(01)00359-6 | ||
| CHEMBL293242 | 100817 | 0 | None | - | 1 | Mouse | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 392 | 12 | 3 | 4 | 4.0 | CCCC1([C@@H](O)C/C=C/C2[C@H](O)CC(=O)[C@@H]2C/C=C/CCCC(=O)O)CCC1 | 10.1016/s0960-894x(01)00359-6 | ||
| 9821171 | 97866 | 0 | None | -14454 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 379 | 8 | 2 | 3 | 3.1 | O=C(O)c1ccc(CCN2C(=O)CC[C@@H]2/C=C/[C@@H](O)Cc2ccccc2)cc1 | 10.1016/j.bmcl.2007.11.020 | ||
| CHEMBL272276 | 97866 | 0 | None | -14454 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 379 | 8 | 2 | 3 | 3.1 | O=C(O)c1ccc(CCN2C(=O)CC[C@@H]2/C=C/[C@@H](O)Cc2ccccc2)cc1 | 10.1016/j.bmcl.2007.11.020 | ||
| 10223499 | 196341 | 0 | None | - | 1 | Rat | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 413 | 15 | 2 | 4 | 4.1 | CCCCCC(O)c1ccc(CN(CCCCCCC(=O)O)S(C)(=O)=O)cc1 | 10.1016/j.bmcl.2009.01.059 | ||
| CHEMBL562411 | 196341 | 0 | None | - | 1 | Rat | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 413 | 15 | 2 | 4 | 4.1 | CCCCCC(O)c1ccc(CN(CCCCCCC(=O)O)S(C)(=O)=O)cc1 | 10.1016/j.bmcl.2009.01.059 | ||
| 11855324 | 142605 | 0 | None | 14 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 371 | 6 | 1 | 4 | 4.0 | CC(C)(C)c1ccc(N2C(=O)CC[C@@H]2COCc2ccc(C(=O)O)o2)cc1 | nan | ||
| CHEMBL3891401 | 142605 | 0 | None | 14 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 371 | 6 | 1 | 4 | 4.0 | CC(C)(C)c1ccc(N2C(=O)CC[C@@H]2COCc2ccc(C(=O)O)o2)cc1 | nan | ||
| 11855324 | 142605 | 0 | None | 14 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 371 | 6 | 1 | 4 | 4.0 | CC(C)(C)c1ccc(N2C(=O)CC[C@@H]2COCc2ccc(C(=O)O)o2)cc1 | nan | ||
| CHEMBL3891401 | 142605 | 0 | None | 14 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 371 | 6 | 1 | 4 | 4.0 | CC(C)(C)c1ccc(N2C(=O)CC[C@@H]2COCc2ccc(C(=O)O)o2)cc1 | nan | ||
| 53259982 | 176435 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 485 | 9 | 2 | 5 | 4.4 | CC(C)(C)c1ccc(CN(Cc2cccc(NCC(=O)O)n2)S(=O)(=O)c2ccccc2F)cc1 | 10.1021/acs.jmedchem.8b00808 | ||
| CHEMBL4561017 | 176435 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 485 | 9 | 2 | 5 | 4.4 | CC(C)(C)c1ccc(CN(Cc2cccc(NCC(=O)O)n2)S(=O)(=O)c2ccccc2F)cc1 | 10.1021/acs.jmedchem.8b00808 | ||
| CHEMBL4596258 | 176435 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 485 | 9 | 2 | 5 | 4.4 | CC(C)(C)c1ccc(CN(Cc2cccc(NCC(=O)O)n2)S(=O)(=O)c2ccccc2F)cc1 | 10.1021/acs.jmedchem.8b00808 | ||
| 89443872 | 145841 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 437 | 7 | 2 | 3 | 6.0 | O=C(O)COc1ccc(Cl)c(NCc2cc(-c3cccc(F)c3)ccc2F)c1Cl | nan | ||
| CHEMBL3917219 | 145841 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 437 | 7 | 2 | 3 | 6.0 | O=C(O)COc1ccc(Cl)c(NCc2cc(-c3cccc(F)c3)ccc2F)c1Cl | nan | ||
| 44304124 | 102623 | 0 | None | - | 1 | Mouse | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 406 | 12 | 3 | 4 | 4.3 | CC(C)CC1([C@@H](O)C/C=C/[C@H]2[C@H](O)CC(=O)[C@@H]2C/C=C\CCCC(=O)O)CCC1 | 10.1016/s0960-894x(01)00359-6 | ||
| CHEMBL304225 | 102623 | 0 | None | - | 1 | Mouse | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 406 | 12 | 3 | 4 | 4.3 | CC(C)CC1([C@@H](O)C/C=C/[C@H]2[C@H](O)CC(=O)[C@@H]2C/C=C\CCCC(=O)O)CCC1 | 10.1016/s0960-894x(01)00359-6 | ||
| 11955297 | 149887 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 416 | 10 | 3 | 4 | 4.8 | O=C(O)CCCCCC[C@H]1C(=O)C[C@@H](O)[C@@H]1c1ccc(C(O)C2CCCCC2)cc1 | nan | ||
| CHEMBL3949225 | 149887 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 416 | 10 | 3 | 4 | 4.8 | O=C(O)CCCCCC[C@H]1C(=O)C[C@@H](O)[C@@H]1c1ccc(C(O)C2CCCCC2)cc1 | nan | ||
| 22246983 | 195862 | 0 | None | - | 1 | Rat | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 389 | 11 | 1 | 3 | 4.2 | CS(=O)(=O)N(CCCCCCC(=O)O)Cc1ccc(-c2ccccc2)cc1 | 10.1016/j.bmcl.2009.01.059 | ||
| CHEMBL558671 | 195862 | 0 | None | - | 1 | Rat | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 389 | 11 | 1 | 3 | 4.2 | CS(=O)(=O)N(CCCCCCC(=O)O)Cc1ccc(-c2ccccc2)cc1 | 10.1016/j.bmcl.2009.01.059 | ||
| 23729077 | 78218 | 31 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 520 | 11 | 0 | 8 | 4.0 | CC(C)OC(=O)COc1cccc(CN(Cc2ccc(-n3cccn3)cc2)S(=O)(=O)c2cccnc2)c1 | nan | ||
| CHEMBL2105692 | 78218 | 31 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 520 | 11 | 0 | 8 | 4.0 | CC(C)OC(=O)COc1cccc(CN(Cc2ccc(-n3cccn3)cc2)S(=O)(=O)c2cccnc2)c1 | nan | ||
| 57894063 | 75165 | 0 | None | -301 | 2 | Rat | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 524 | 11 | 2 | 7 | 4.8 | COc1ccc(-c2cccc(C[C@H](O)/C=C/[C@H]3CCC(=O)N3CCSc3nc(C(=O)O)cs3)c2)cc1 | 10.1016/j.bmc.2012.04.008 | ||
| CHEMBL2036319 | 75165 | 0 | None | -301 | 2 | Rat | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 524 | 11 | 2 | 7 | 4.8 | COc1ccc(-c2cccc(C[C@H](O)/C=C/[C@H]3CCC(=O)N3CCSc3nc(C(=O)O)cs3)c2)cc1 | 10.1016/j.bmc.2012.04.008 | ||
| 156010583 | 177078 | 0 | None | -162 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 451 | 10 | 2 | 4 | 5.4 | CCCCCC(C)(O)/C=C/c1c(Cl)cc(Cl)c(=O)n1CCc1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2020.127104 | ||
| CHEMBL4633041 | 177078 | 0 | None | -162 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 451 | 10 | 2 | 4 | 5.4 | CCCCCC(C)(O)/C=C/c1c(Cl)cc(Cl)c(=O)n1CCc1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2020.127104 | ||
| 45271238 | 195641 | 0 | None | - | 1 | Rat | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 403 | 8 | 1 | 3 | 4.0 | CC(C)(C)c1ccc(CN(Cc2cccc(CCC(=O)O)c2)S(C)(=O)=O)cc1 | 10.1016/j.bmcl.2009.01.059 | ||
| CHEMBL556333 | 195641 | 0 | None | - | 1 | Rat | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 403 | 8 | 1 | 3 | 4.0 | CC(C)(C)c1ccc(CN(Cc2cccc(CCC(=O)O)c2)S(C)(=O)=O)cc1 | 10.1016/j.bmcl.2009.01.059 | ||
| 59465587 | 145190 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 372 | 13 | 2 | 2 | 6.5 | CCCCCC(O)c1ccc([C@H]2CCC=C2CCCCCCC(=O)O)cc1 | nan | ||
| CHEMBL3912391 | 145190 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 372 | 13 | 2 | 2 | 6.5 | CCCCCC(O)c1ccc([C@H]2CCC=C2CCCCCCC(=O)O)cc1 | nan | ||
| 11955315 | 143791 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 394 | 9 | 3 | 3 | 4.6 | CC(C)C(O)c1ccc([C@H]2[C@H](O)C[C@@H](Cl)[C@@H]2C/C=C\CCCC(=O)O)cc1 | nan | ||
| CHEMBL3901088 | 143791 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 394 | 9 | 3 | 3 | 4.6 | CC(C)C(O)c1ccc([C@H]2[C@H](O)C[C@@H](Cl)[C@@H]2C/C=C\CCCC(=O)O)cc1 | nan | ||
| 11955256 | 143316 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 424 | 9 | 2 | 4 | 5.4 | COC(=O)CCCCCC[C@@H]1[C@@H](c2ccc(C(O)C(C)(C)C)cc2)[C@H](O)C[C@H]1Cl | nan | ||
| CHEMBL3897181 | 143316 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 424 | 9 | 2 | 4 | 5.4 | COC(=O)CCCCCC[C@@H]1[C@@H](c2ccc(C(O)C(C)(C)C)cc2)[C@H](O)C[C@H]1Cl | nan | ||
| 16725337 | 149601 | 0 | None | 4 | 4 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 443 | 12 | 2 | 4 | 6.0 | CCCCCCC(O)c1ccc(N2C(=O)CC[C@@H]2CCCc2ccc(C(=O)O)s2)cc1 | nan | ||
| CHEMBL3947001 | 149601 | 0 | None | 4 | 4 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 443 | 12 | 2 | 4 | 6.0 | CCCCCCC(O)c1ccc(N2C(=O)CC[C@@H]2CCCc2ccc(C(=O)O)s2)cc1 | nan | ||
| 16725337 | 149601 | 0 | None | 4 | 4 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 443 | 12 | 2 | 4 | 6.0 | CCCCCCC(O)c1ccc(N2C(=O)CC[C@@H]2CCCc2ccc(C(=O)O)s2)cc1 | nan | ||
| CHEMBL3947001 | 149601 | 0 | None | 4 | 4 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 443 | 12 | 2 | 4 | 6.0 | CCCCCCC(O)c1ccc(N2C(=O)CC[C@@H]2CCCc2ccc(C(=O)O)s2)cc1 | nan | ||
| 89443809 | 148145 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 427 | 8 | 2 | 4 | 5.3 | COc1c(C)cc(-c2cccc(F)c2)cc1CNc1c(F)ccc(OCC(=O)O)c1C | nan | ||
| CHEMBL3935521 | 148145 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 427 | 8 | 2 | 4 | 5.3 | COc1c(C)cc(-c2cccc(F)c2)cc1CNc1c(F)ccc(OCC(=O)O)c1C | nan | ||
| 89443631 | 148665 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 415 | 7 | 2 | 3 | 5.5 | Cc1c(F)cc(-c2cccc(F)c2)cc1CNc1c(F)ccc(OCC(=O)O)c1C | nan | ||
| CHEMBL3939716 | 148665 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 415 | 7 | 2 | 3 | 5.5 | Cc1c(F)cc(-c2cccc(F)c2)cc1CNc1c(F)ccc(OCC(=O)O)c1C | nan | ||
| 127050450 | 140300 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 393 | 5 | 2 | 6 | 3.3 | O=C(O)c1csc([C@H]2CC[C@H]3[C@H](C[C@@H](O)[C@@H]3COc3cccc(F)c3)O2)n1 | 10.1021/acsmedchemlett.5b00455 | ||
| CHEMBL3806076 | 140300 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 393 | 5 | 2 | 6 | 3.3 | O=C(O)c1csc([C@H]2CC[C@H]3[C@H](C[C@@H](O)[C@@H]3COc3cccc(F)c3)O2)n1 | 10.1021/acsmedchemlett.5b00455 | ||
| 57395059 | 69474 | 0 | None | -11 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 418 | 9 | 2 | 6 | 3.1 | O=C(O)c1csc(SCCN2C(=O)CC[C@@H]2/C=C/[C@@H](O)Cc2ccccc2)n1 | 10.1021/acsmedchemlett.5b00455 | ||
| CHEMBL1933725 | 69474 | 0 | None | -11 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 418 | 9 | 2 | 6 | 3.1 | O=C(O)c1csc(SCCN2C(=O)CC[C@@H]2/C=C/[C@@H](O)Cc2ccccc2)n1 | 10.1021/acsmedchemlett.5b00455 | ||
| 44229605 | 176654 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 452 | 9 | 2 | 7 | 3.1 | O=C(O)CNc1cccc(CN(Cc2cc3ccccc3o2)S(=O)(=O)c2cccnc2)n1 | 10.1021/acs.jmedchem.8b00808 | ||
| CHEMBL4470479 | 176654 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 452 | 9 | 2 | 7 | 3.1 | O=C(O)CNc1cccc(CN(Cc2cc3ccccc3o2)S(=O)(=O)c2cccnc2)n1 | 10.1021/acs.jmedchem.8b00808 | ||
| CHEMBL4598070 | 176654 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 452 | 9 | 2 | 7 | 3.1 | O=C(O)CNc1cccc(CN(Cc2cc3ccccc3o2)S(=O)(=O)c2cccnc2)n1 | 10.1021/acs.jmedchem.8b00808 | ||
| 89443989 | 148668 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 419 | 7 | 2 | 3 | 5.3 | Cc1cc(OCC(=O)O)c(F)c(NCc2cc(-c3cccc(F)c3)ccc2F)c1F | nan | ||
| CHEMBL3939740 | 148668 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 419 | 7 | 2 | 3 | 5.3 | Cc1cc(OCC(=O)O)c(F)c(NCc2cc(-c3cccc(F)c3)ccc2F)c1F | nan | ||
| 44444714 | 94138 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 362 | 10 | 2 | 4 | 2.6 | CCCC(C)C(O)CCN1CCC(=O)N1CCc1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2007.09.074 | ||
| CHEMBL249341 | 94138 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 362 | 10 | 2 | 4 | 2.6 | CCCC(C)C(O)CCN1CCC(=O)N1CCc1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2007.09.074 | ||
| 59465588 | 143526 | 0 | None | - | 1 | Human | 4.3 | pEC50 | = | 4.3 | Functional | ChEMBL | 422 | 13 | 1 | 3 | 6.9 | CCCCCC(O)c1ccc([C@H]2CC[C@@H](Cl)[C@@H]2CCCCCCC(=O)OC)cc1 | nan | ||
| CHEMBL3898887 | 143526 | 0 | None | - | 1 | Human | 4.3 | pEC50 | = | 4.3 | Functional | ChEMBL | 422 | 13 | 1 | 3 | 6.9 | CCCCCC(O)c1ccc([C@H]2CC[C@@H](Cl)[C@@H]2CCCCCCC(=O)OC)cc1 | nan | ||
| 59465575 | 145067 | 0 | None | - | 1 | Human | 4.3 | pEC50 | = | 4.3 | Functional | ChEMBL | 402 | 13 | 1 | 4 | 5.9 | CCCCCC(O)c1cccc([C@H]2CCC(=O)[C@@H]2CCCCCCC(=O)OC)c1 | nan | ||
| CHEMBL3911438 | 145067 | 0 | None | - | 1 | Human | 4.3 | pEC50 | = | 4.3 | Functional | ChEMBL | 402 | 13 | 1 | 4 | 5.9 | CCCCCC(O)c1cccc([C@H]2CCC(=O)[C@@H]2CCCCCCC(=O)OC)c1 | nan | ||
| 59465595 | 145423 | 0 | None | - | 1 | Human | 4.3 | pEC50 | = | 4.3 | Functional | ChEMBL | 388 | 13 | 2 | 3 | 5.8 | CCCCCC(O)c1cccc([C@H]2CCC(=O)[C@@H]2CCCCCCC(=O)O)c1 | nan | ||
| CHEMBL3914108 | 145423 | 0 | None | - | 1 | Human | 4.3 | pEC50 | = | 4.3 | Functional | ChEMBL | 388 | 13 | 2 | 3 | 5.8 | CCCCCC(O)c1cccc([C@H]2CCC(=O)[C@@H]2CCCCCCC(=O)O)c1 | nan | ||
| 59465592 | 149702 | 0 | None | - | 1 | Human | 4.3 | pEC50 | = | 4.3 | Functional | ChEMBL | 386 | 13 | 1 | 3 | 6.6 | CCCCCC(O)c1ccc([C@H]2CCC=C2CCCCCCC(=O)OC)cc1 | nan | ||
| CHEMBL3947785 | 149702 | 0 | None | - | 1 | Human | 4.3 | pEC50 | = | 4.3 | Functional | ChEMBL | 386 | 13 | 1 | 3 | 6.6 | CCCCCC(O)c1ccc([C@H]2CCC=C2CCCCCCC(=O)OC)cc1 | nan | ||
| 59465590 | 150945 | 0 | None | - | 1 | Human | 4.3 | pEC50 | = | 4.3 | Functional | ChEMBL | 406 | 13 | 1 | 3 | 6.6 | CCCCCC(O)c1ccc([C@H]2CC[C@@H](F)[C@@H]2CCCCCCC(=O)OC)cc1 | nan | ||
| CHEMBL3957958 | 150945 | 0 | None | - | 1 | Human | 4.3 | pEC50 | = | 4.3 | Functional | ChEMBL | 406 | 13 | 1 | 3 | 6.6 | CCCCCC(O)c1ccc([C@H]2CC[C@@H](F)[C@@H]2CCCCCCC(=O)OC)cc1 | nan | ||
| 59465584 | 151430 | 0 | None | - | 1 | Human | 4.3 | pEC50 | = | 4.3 | Functional | ChEMBL | 394 | 13 | 2 | 2 | 6.7 | CCCCCC(O)c1ccc([C@H]2CC[C@@H](Cl)[C@@H]2CCCCCCCO)cc1 | nan | ||
| CHEMBL3961847 | 151430 | 0 | None | - | 1 | Human | 4.3 | pEC50 | = | 4.3 | Functional | ChEMBL | 394 | 13 | 2 | 2 | 6.7 | CCCCCC(O)c1ccc([C@H]2CC[C@@H](Cl)[C@@H]2CCCCCCCO)cc1 | nan | ||
| 11855325 | 144691 | 0 | None | 19 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 387 | 6 | 1 | 4 | 4.5 | CC(C)(C)c1ccc(N2C(=O)CC[C@@H]2COCc2ccc(C(=O)O)s2)cc1 | nan | ||
| CHEMBL3908484 | 144691 | 0 | None | 19 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 387 | 6 | 1 | 4 | 4.5 | CC(C)(C)c1ccc(N2C(=O)CC[C@@H]2COCc2ccc(C(=O)O)s2)cc1 | nan | ||
| 11955233 | 145593 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 392 | 8 | 3 | 3 | 4.3 | O=C(O)CCC/C=C\C[C@@H]1[C@@H](c2ccc(C3(O)CCC3)cc2)[C@H](O)C[C@H]1Cl | nan | ||
| CHEMBL3915426 | 145593 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 392 | 8 | 3 | 3 | 4.3 | O=C(O)CCC/C=C\C[C@@H]1[C@@H](c2ccc(C3(O)CCC3)cc2)[C@H](O)C[C@H]1Cl | nan | ||
| 11855593 | 146834 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 425 | 11 | 2 | 4 | 4.7 | CCCCCC(O)c1ccc(N2C(=O)CC[C@@H]2COCc2cccc(C(=O)O)c2)cc1 | nan | ||
| CHEMBL3924987 | 146834 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 425 | 11 | 2 | 4 | 4.7 | CCCCCC(O)c1ccc(N2C(=O)CC[C@@H]2COCc2cccc(C(=O)O)c2)cc1 | nan | ||
| 89444078 | 146074 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 405 | 7 | 2 | 3 | 5.0 | O=C(O)COc1ccc(F)c(NCc2cc(F)cc(-c3cccc(F)c3)c2)c1F | nan | ||
| CHEMBL3919144 | 146074 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 405 | 7 | 2 | 3 | 5.0 | O=C(O)COc1ccc(F)c(NCc2cc(F)cc(-c3cccc(F)c3)c2)c1F | nan | ||
| 11955406 | 146104 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 376 | 10 | 3 | 4 | 3.4 | CC(C)(CO)c1ccc([C@H]2[C@H](O)CC(=O)[C@@H]2CCCCCCC(=O)O)cc1 | nan | ||
| CHEMBL3919393 | 146104 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 376 | 10 | 3 | 4 | 3.4 | CC(C)(CO)c1ccc([C@H]2[C@H](O)CC(=O)[C@@H]2CCCCCCC(=O)O)cc1 | nan | ||
| 11955294 | 144768 | 0 | None | 1 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 380 | 8 | 3 | 3 | 4.2 | O=C(O)CCCCCC[C@@H]1[C@@H](c2ccc3c(c2)CCC3O)[C@H](O)C[C@H]1Cl | nan | ||
| CHEMBL3909111 | 144768 | 0 | None | 1 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 380 | 8 | 3 | 3 | 4.2 | O=C(O)CCCCCC[C@@H]1[C@@H](c2ccc3c(c2)CCC3O)[C@H](O)C[C@H]1Cl | nan | ||
| 44303889 | 203217 | 0 | None | - | 1 | Mouse | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 414 | 10 | 3 | 4 | 4.2 | CCCC1([C@@H](O)C/C=C/C2[C@H](O)CC(=O)[C@@H]2CCc2ccc(C(=O)O)cc2)CCC1 | 10.1016/s0960-894x(01)00359-6 | ||
| CHEMBL64423 | 203217 | 0 | None | - | 1 | Mouse | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 414 | 10 | 3 | 4 | 4.2 | CCCC1([C@@H](O)C/C=C/C2[C@H](O)CC(=O)[C@@H]2CCc2ccc(C(=O)O)cc2)CCC1 | 10.1016/s0960-894x(01)00359-6 | ||
| 11955179 | 146482 | 0 | None | 5 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 450 | 12 | 3 | 3 | 6.2 | CCCC1(C(O)c2cccc([C@H]3[C@H](O)C[C@@H](Cl)[C@@H]3CCCCCCC(=O)O)c2)CCC1 | nan | ||
| CHEMBL3922332 | 146482 | 0 | None | 5 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 450 | 12 | 3 | 3 | 6.2 | CCCC1(C(O)c2cccc([C@H]3[C@H](O)C[C@@H](Cl)[C@@H]3CCCCCCC(=O)O)c2)CCC1 | nan | ||
| 11855588 | 147357 | 0 | None | 12 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 345 | 8 | 1 | 2 | 4.9 | CC(C)(C)c1ccc(N2C(=O)CC[C@@H]2CCCCCCC(=O)O)cc1 | nan | ||
| CHEMBL3929446 | 147357 | 0 | None | 12 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 345 | 8 | 1 | 2 | 4.9 | CC(C)(C)c1ccc(N2C(=O)CC[C@@H]2CCCCCCC(=O)O)cc1 | nan | ||
| 126495432 | 139324 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 406 | 5 | 2 | 5 | 4.2 | Cc1cc(OC[C@H]2[C@H](O)C[C@@H]3O[C@@H](c4coc(C(=O)O)c4)CC[C@@H]32)ccc1Cl | 10.1016/j.bmcl.2016.03.110 | ||
| CHEMBL3792668 | 139324 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 406 | 5 | 2 | 5 | 4.2 | Cc1cc(OC[C@H]2[C@H](O)C[C@@H]3O[C@@H](c4coc(C(=O)O)c4)CC[C@@H]32)ccc1Cl | 10.1016/j.bmcl.2016.03.110 | ||
| 71515517 | 148082 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 419 | 7 | 2 | 3 | 5.3 | Cc1cc(CNc2c(F)ccc(OCC(=O)O)c2F)c(F)c(-c2cccc(F)c2)c1 | nan | ||
| CHEMBL3934986 | 148082 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 419 | 7 | 2 | 3 | 5.3 | Cc1cc(CNc2c(F)ccc(OCC(=O)O)c2F)c(F)c(-c2cccc(F)c2)c1 | nan | ||
| 56839343 | 144279 | 0 | None | -147 | 6 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 642 | 14 | 2 | 8 | 5.4 | COc1ccc(CCC(=O)NS(=O)(=O)C(F)(F)F)c(CN2CCC[C@H]2c2nc(C(=O)NCCCCC3CCCCC3)co2)c1 | nan | ||
| CHEMBL3904989 | 144279 | 0 | None | -147 | 6 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 642 | 14 | 2 | 8 | 5.4 | COc1ccc(CCC(=O)NS(=O)(=O)C(F)(F)F)c(CN2CCC[C@H]2c2nc(C(=O)NCCCCC3CCCCC3)co2)c1 | nan | ||
| 45266955 | 195645 | 0 | None | - | 1 | Rat | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 485 | 10 | 1 | 6 | 3.7 | Cn1ccnc1CS(=O)(=O)N(Cc1ccc(C(C)(C)C)cc1)Cc1cccc(OCC(=O)O)c1 | 10.1016/j.bmcl.2009.01.059 | ||
| CHEMBL556416 | 195645 | 0 | None | - | 1 | Rat | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 485 | 10 | 1 | 6 | 3.7 | Cn1ccnc1CS(=O)(=O)N(Cc1ccc(C(C)(C)C)cc1)Cc1cccc(OCC(=O)O)c1 | 10.1016/j.bmcl.2009.01.059 | ||
| 57564500 | 151210 | 0 | None | 2 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 440 | 12 | 2 | 2 | 6.8 | CCCCCC(O)c1ccc([C@H]2[C@@H](Cl)C[C@@H](Cl)[C@@H]2C/C=C\CCCC(=O)O)cc1 | nan | ||
| CHEMBL3959926 | 151210 | 0 | None | 2 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 440 | 12 | 2 | 2 | 6.8 | CCCCCC(O)c1ccc([C@H]2[C@@H](Cl)C[C@@H](Cl)[C@@H]2C/C=C\CCCC(=O)O)cc1 | nan | ||
| 44303723 | 202935 | 0 | None | - | 1 | Mouse | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 406 | 12 | 3 | 4 | 4.4 | CCCC1([C@@H](O)C/C=C/[C@H]2[C@H](O)CC(=O)[C@@H]2C/C=C\CCCC(=O)O)CCCC1 | 10.1016/s0960-894x(01)00359-6 | ||
| CHEMBL62885 | 202935 | 0 | None | - | 1 | Mouse | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 406 | 12 | 3 | 4 | 4.4 | CCCC1([C@@H](O)C/C=C/[C@H]2[C@H](O)CC(=O)[C@@H]2C/C=C\CCCC(=O)O)CCCC1 | 10.1016/s0960-894x(01)00359-6 | ||
| 45269576 | 195983 | 0 | None | - | 1 | Rat | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 403 | 11 | 1 | 3 | 4.4 | CCCCc1ccc(CN(c2ccc(CCCC(=O)O)cc2)S(C)(=O)=O)cc1 | 10.1016/j.bmcl.2009.01.059 | ||
| CHEMBL559820 | 195983 | 0 | None | - | 1 | Rat | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 403 | 11 | 1 | 3 | 4.4 | CCCCc1ccc(CN(c2ccc(CCCC(=O)O)cc2)S(C)(=O)=O)cc1 | 10.1016/j.bmcl.2009.01.059 | ||
| 9863804 | 94098 | 0 | None | -120 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 362 | 11 | 2 | 4 | 2.7 | CCCCCC(O)CCN1CCC(=O)N1CCc1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2007.09.074 | ||
| CHEMBL249136 | 94098 | 0 | None | -120 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 362 | 11 | 2 | 4 | 2.7 | CCCCCC(O)CCN1CCC(=O)N1CCc1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2007.09.074 | ||
| 89444271 | 151908 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 411 | 7 | 2 | 3 | 5.6 | Cc1cc(-c2cccc(F)c2)cc(CNc2c(F)ccc(OCC(=O)O)c2C)c1C | nan | ||
| CHEMBL3966050 | 151908 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 411 | 7 | 2 | 3 | 5.6 | Cc1cc(-c2cccc(F)c2)cc(CNc2c(F)ccc(OCC(=O)O)c2C)c1C | nan | ||
| 53259983 | 176301 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 485 | 9 | 2 | 5 | 4.4 | CC(C)(C)c1ccc(CN(Cc2cccc(NCC(=O)O)n2)S(=O)(=O)c2cccc(F)c2)cc1 | 10.1021/acs.jmedchem.8b00808 | ||
| CHEMBL4587628 | 176301 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 485 | 9 | 2 | 5 | 4.4 | CC(C)(C)c1ccc(CN(Cc2cccc(NCC(=O)O)n2)S(=O)(=O)c2cccc(F)c2)cc1 | 10.1021/acs.jmedchem.8b00808 | ||
| CHEMBL4595199 | 176301 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 485 | 9 | 2 | 5 | 4.4 | CC(C)(C)c1ccc(CN(Cc2cccc(NCC(=O)O)n2)S(=O)(=O)c2cccc(F)c2)cc1 | 10.1021/acs.jmedchem.8b00808 | ||
| 2720 | 3854 | 59 | None | -10 | 5 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 390 | 10 | 3 | 4 | 3.6 | CCCCC[C@@H](CC[C@H]1[C@H](O)C[C@H]2[C@@H]1Cc1cccc(c1C2)OCC(=O)O)O | 10.1016/j.ejmech.2022.114154 | ||
| 5820 | 3854 | 59 | None | -10 | 5 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 390 | 10 | 3 | 4 | 3.6 | CCCCC[C@@H](CC[C@H]1[C@H](O)C[C@H]2[C@@H]1Cc1cccc(c1C2)OCC(=O)O)O | 10.1016/j.ejmech.2022.114154 | ||
| 6918140 | 3854 | 59 | None | -10 | 5 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 390 | 10 | 3 | 4 | 3.6 | CCCCC[C@@H](CC[C@H]1[C@H](O)C[C@H]2[C@@H]1Cc1cccc(c1C2)OCC(=O)O)O | 10.1016/j.ejmech.2022.114154 | ||
| CHEMBL1237119 | 3854 | 59 | None | -10 | 5 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 390 | 10 | 3 | 4 | 3.6 | CCCCC[C@@H](CC[C@H]1[C@H](O)C[C@H]2[C@@H]1Cc1cccc(c1C2)OCC(=O)O)O | 10.1016/j.ejmech.2022.114154 | ||
| DB00374 | 3854 | 59 | None | -10 | 5 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 390 | 10 | 3 | 4 | 3.6 | CCCCC[C@@H](CC[C@H]1[C@H](O)C[C@H]2[C@@H]1Cc1cccc(c1C2)OCC(=O)O)O | 10.1016/j.ejmech.2022.114154 | ||
| 127052577 | 140260 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 409 | 5 | 2 | 6 | 3.8 | O=C(O)c1csc([C@H]2CC[C@H]3[C@H](C[C@@H](O)[C@@H]3COc3cccc(Cl)c3)O2)n1 | 10.1021/acsmedchemlett.5b00455 | ||
| CHEMBL3805596 | 140260 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 409 | 5 | 2 | 6 | 3.8 | O=C(O)c1csc([C@H]2CC[C@H]3[C@H](C[C@@H](O)[C@@H]3COc3cccc(Cl)c3)O2)n1 | 10.1021/acsmedchemlett.5b00455 | ||
| 67082722 | 164628 | 0 | None | 2 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 425 | 12 | 2 | 6 | 5.2 | CCCCC[C@@](C)(O)C/C=C/[C@H]1CCC(=O)[C@@H]1CCSc1nc(C(=O)O)cs1 | 10.1016/j.bmc.2017.11.035 | ||
| CHEMBL4216182 | 164628 | 0 | None | 2 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 425 | 12 | 2 | 6 | 5.2 | CCCCC[C@@](C)(O)C/C=C/[C@H]1CCC(=O)[C@@H]1CCSc1nc(C(=O)O)cs1 | 10.1016/j.bmc.2017.11.035 | ||
| 8541 | 2944 | 2 | None | -66069 | 4 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 436 | 13 | 3 | 6 | 2.8 | COCc1cccc(c1)C[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCSCCCC(=O)O)O | 10.1021/acs.jmedchem.9b00336 | ||
| 9824353 | 2944 | 2 | None | -66069 | 4 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 436 | 13 | 3 | 6 | 2.8 | COCc1cccc(c1)C[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCSCCCC(=O)O)O | 10.1021/acs.jmedchem.9b00336 | ||
| CHEMBL292964 | 2944 | 2 | None | -66069 | 4 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 436 | 13 | 3 | 6 | 2.8 | COCc1cccc(c1)C[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCSCCCC(=O)O)O | 10.1021/acs.jmedchem.9b00336 | ||
| 155527947 | 176534 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 501 | 9 | 2 | 5 | 4.9 | CC(C)(C)c1ccc(CN(Cc2cccc(NCC(=O)O)n2)S(=O)(=O)c2cccc(Cl)c2)cc1 | 10.1021/acs.jmedchem.8b00808 | ||
| CHEMBL4460294 | 176534 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 501 | 9 | 2 | 5 | 4.9 | CC(C)(C)c1ccc(CN(Cc2cccc(NCC(=O)O)n2)S(=O)(=O)c2cccc(Cl)c2)cc1 | 10.1021/acs.jmedchem.8b00808 | ||
| CHEMBL4597099 | 176534 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 501 | 9 | 2 | 5 | 4.9 | CC(C)(C)c1ccc(CN(Cc2cccc(NCC(=O)O)n2)S(=O)(=O)c2cccc(Cl)c2)cc1 | 10.1021/acs.jmedchem.8b00808 | ||
| 11955157 | 152643 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 430 | 12 | 3 | 4 | 5.1 | CCCC1(C(O)c2cccc([C@H]3[C@H](O)CC(=O)[C@@H]3CCCCCCC(=O)O)c2)CCC1 | nan | ||
| CHEMBL3972401 | 152643 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 430 | 12 | 3 | 4 | 5.1 | CCCC1(C(O)c2cccc([C@H]3[C@H](O)CC(=O)[C@@H]3CCCCCCC(=O)O)c2)CCC1 | nan | ||
| 56649302 | 152666 | 0 | None | -169 | 6 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 630 | 13 | 2 | 7 | 5.5 | O=C(CCc1ccc(F)cc1CN1CCC[C@H]1c1nc(C(=O)NCCCCC2CCCCC2)co1)NS(=O)(=O)C(F)(F)F | nan | ||
| CHEMBL3972583 | 152666 | 0 | None | -169 | 6 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 630 | 13 | 2 | 7 | 5.5 | O=C(CCc1ccc(F)cc1CN1CCC[C@H]1c1nc(C(=O)NCCCCC2CCCCC2)co1)NS(=O)(=O)C(F)(F)F | nan | ||
| 155539238 | 176481 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 474 | 9 | 2 | 6 | 4.0 | CC(C)(C)C1CCC(CN(Cc2cccc(NCC(=O)O)n2)S(=O)(=O)c2cccnc2)CC1 | 10.1021/acs.jmedchem.8b00808 | ||
| CHEMBL4514124 | 176481 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 474 | 9 | 2 | 6 | 4.0 | CC(C)(C)C1CCC(CN(Cc2cccc(NCC(=O)O)n2)S(=O)(=O)c2cccnc2)CC1 | 10.1021/acs.jmedchem.8b00808 | ||
| CHEMBL4596631 | 176481 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 474 | 9 | 2 | 6 | 4.0 | CC(C)(C)C1CCC(CN(Cc2cccc(NCC(=O)O)n2)S(=O)(=O)c2cccnc2)CC1 | 10.1021/acs.jmedchem.8b00808 | ||
| 71516449 | 149436 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 401 | 7 | 2 | 3 | 5.2 | Cc1ccc(-c2cccc(F)c2)cc1CNc1c(F)ccc(OCC(=O)O)c1F | nan | ||
| CHEMBL3945923 | 149436 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 401 | 7 | 2 | 3 | 5.2 | Cc1ccc(-c2cccc(F)c2)cc1CNc1c(F)ccc(OCC(=O)O)c1F | nan | ||
| 127050766 | 140213 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 393 | 5 | 2 | 6 | 3.3 | O=C(O)c1csc([C@H]2CC[C@H]3[C@H](C[C@@H](O)[C@@H]3COc3ccc(F)cc3)O2)n1 | 10.1021/acsmedchemlett.5b00455 | ||
| CHEMBL3805075 | 140213 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 393 | 5 | 2 | 6 | 3.3 | O=C(O)c1csc([C@H]2CC[C@H]3[C@H](C[C@@H](O)[C@@H]3COc3ccc(F)cc3)O2)n1 | 10.1021/acsmedchemlett.5b00455 | ||
| 89443614 | 150589 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 393 | 7 | 2 | 3 | 5.5 | Cc1cc(CNc2c(C)ccc(OCC(=O)O)c2C)cc(-c2cccc(F)c2)c1 | nan | ||
| CHEMBL3955120 | 150589 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 393 | 7 | 2 | 3 | 5.5 | Cc1cc(CNc2c(C)ccc(OCC(=O)O)c2C)cc(-c2cccc(F)c2)c1 | nan | ||
| 127052613 | 140206 | 0 | None | -10 | 6 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 431 | 7 | 3 | 7 | 3.1 | O=C(O)c1csc([C@H]2CC[C@H]3[C@H](C[C@@H](O)[C@@H]3/C=C/[C@@H](O)COc3ccccc3)O2)n1 | 10.1021/acsmedchemlett.5b00455 | ||
| CHEMBL3804978 | 140206 | 0 | None | -10 | 6 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 431 | 7 | 3 | 7 | 3.1 | O=C(O)c1csc([C@H]2CC[C@H]3[C@H](C[C@@H](O)[C@@H]3/C=C/[C@@H](O)COc3ccccc3)O2)n1 | 10.1021/acsmedchemlett.5b00455 | ||
| 11955236 | 146456 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 396 | 10 | 3 | 3 | 4.5 | CC(C)(CO)c1ccc([C@H]2[C@H](O)C[C@@H](Cl)[C@@H]2CCCCCCC(=O)O)cc1 | nan | ||
| CHEMBL3922121 | 146456 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 396 | 10 | 3 | 3 | 4.5 | CC(C)(CO)c1ccc([C@H]2[C@H](O)C[C@@H](Cl)[C@@H]2CCCCCCC(=O)O)cc1 | nan | ||
| 44303711 | 102352 | 0 | None | - | 1 | Mouse | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 406 | 13 | 3 | 4 | 4.4 | CCCCC1([C@@H](O)C/C=C/[C@H]2[C@H](O)CC(=O)[C@@H]2C/C=C\CCCC(=O)O)CCC1 | 10.1016/s0960-894x(01)00359-6 | ||
| CHEMBL303763 | 102352 | 0 | None | - | 1 | Mouse | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 406 | 13 | 3 | 4 | 4.4 | CCCCC1([C@@H](O)C/C=C/[C@H]2[C@H](O)CC(=O)[C@@H]2C/C=C\CCCC(=O)O)CCC1 | 10.1016/s0960-894x(01)00359-6 | ||
| 67245477 | 144883 | 0 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 428 | 13 | 1 | 4 | 7.0 | CCCCCC(O)c1ccc([C@H]2CC[C@@H](Cl)[C@@H]2CCCCCCC(=O)OC)s1 | nan | ||
| CHEMBL3909989 | 144883 | 0 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 428 | 13 | 1 | 4 | 7.0 | CCCCCC(O)c1ccc([C@H]2CC[C@@H](Cl)[C@@H]2CCCCCCC(=O)OC)s1 | nan | ||
| 24760055 | 143888 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 411 | 10 | 2 | 4 | 4.6 | CCCCCC(O)c1ccc(N2C(=O)CC[C@@H]2COc2ccc(C(=O)O)cc2)cc1 | nan | ||
| CHEMBL3901873 | 143888 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 411 | 10 | 2 | 4 | 4.6 | CCCCCC(O)c1ccc(N2C(=O)CC[C@@H]2COc2ccc(C(=O)O)cc2)cc1 | nan | ||
| 24760055 | 143888 | 0 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 411 | 10 | 2 | 4 | 4.6 | CCCCCC(O)c1ccc(N2C(=O)CC[C@@H]2COc2ccc(C(=O)O)cc2)cc1 | nan | ||
| CHEMBL3901873 | 143888 | 0 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 411 | 10 | 2 | 4 | 4.6 | CCCCCC(O)c1ccc(N2C(=O)CC[C@@H]2COc2ccc(C(=O)O)cc2)cc1 | nan | ||
| 89443736 | 151354 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 421 | 7 | 2 | 3 | 5.5 | O=C(O)COc1ccc(Cl)c(NCc2cc(-c3cccc(F)c3)ccc2F)c1F | nan | ||
| CHEMBL3961188 | 151354 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 421 | 7 | 2 | 3 | 5.5 | O=C(O)COc1ccc(Cl)c(NCc2cc(-c3cccc(F)c3)ccc2F)c1F | nan | ||
| 12521 | 2197 | 0 | None | -23988 | 2 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 399 | 11 | 2 | 3 | 3.6 | FC1(C(N([C@H](C1)/C=C/[C@H]([C@H](CC#CCC)C)O)CCCCCCC(=O)O)=O)F | 10.1021/acs.jmedchem.9b00336 | ||
| 72722131 | 2197 | 0 | None | -23988 | 2 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 399 | 11 | 2 | 3 | 3.6 | FC1(C(N([C@H](C1)/C=C/[C@H]([C@H](CC#CCC)C)O)CCCCCCC(=O)O)=O)F | 10.1021/acs.jmedchem.9b00336 | ||
| CHEMBL3918816 | 2197 | 0 | None | -23988 | 2 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 399 | 11 | 2 | 3 | 3.6 | FC1(C(N([C@H](C1)/C=C/[C@H]([C@H](CC#CCC)C)O)CCCCCCC(=O)O)=O)F | 10.1021/acs.jmedchem.9b00336 | ||
| 11955234 | 152217 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 394 | 9 | 3 | 3 | 4.6 | O=C(O)CCCCCC[C@@H]1[C@@H](c2ccc(C3(O)CCC3)cc2)[C@H](O)C[C@H]1Cl | nan | ||
| CHEMBL3968751 | 152217 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 394 | 9 | 3 | 3 | 4.6 | O=C(O)CCCCCC[C@@H]1[C@@H](c2ccc(C3(O)CCC3)cc2)[C@H](O)C[C@H]1Cl | nan | ||
| 44230431 | 176653 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 522 | 10 | 2 | 6 | 4.7 | O=C(O)CNc1cccc(CN(Cc2ccc(-c3ccc(Cl)cc3)cc2)S(=O)(=O)c2cccnc2)n1 | 10.1021/acs.jmedchem.8b00808 | ||
| CHEMBL4531171 | 176653 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 522 | 10 | 2 | 6 | 4.7 | O=C(O)CNc1cccc(CN(Cc2ccc(-c3ccc(Cl)cc3)cc2)S(=O)(=O)c2cccnc2)n1 | 10.1021/acs.jmedchem.8b00808 | ||
| CHEMBL4598069 | 176653 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 522 | 10 | 2 | 6 | 4.7 | O=C(O)CNc1cccc(CN(Cc2ccc(-c3ccc(Cl)cc3)cc2)S(=O)(=O)c2cccnc2)n1 | 10.1021/acs.jmedchem.8b00808 | ||
| 118517483 | 144271 | 0 | None | -22 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 396 | 8 | 2 | 3 | 4.2 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2ccccc2F)cc1 | nan | ||
| CHEMBL3904946 | 144271 | 0 | None | -22 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 396 | 8 | 2 | 3 | 4.2 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2ccccc2F)cc1 | nan | ||
| 11855590 | 144374 | 0 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 387 | 8 | 2 | 5 | 3.4 | CC(C)C(O)c1ccc(N2C(=O)CC[C@@H]2COCc2ccc(C(=O)O)o2)cc1 | nan | ||
| CHEMBL3905811 | 144374 | 0 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 387 | 8 | 2 | 5 | 3.4 | CC(C)C(O)c1ccc(N2C(=O)CC[C@@H]2COCc2ccc(C(=O)O)o2)cc1 | nan | ||
| 11855590 | 144374 | 0 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 387 | 8 | 2 | 5 | 3.4 | CC(C)C(O)c1ccc(N2C(=O)CC[C@@H]2COCc2ccc(C(=O)O)o2)cc1 | nan | ||
| CHEMBL3905811 | 144374 | 0 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 387 | 8 | 2 | 5 | 3.4 | CC(C)C(O)c1ccc(N2C(=O)CC[C@@H]2COCc2ccc(C(=O)O)o2)cc1 | nan | ||
| 134147021 | 150024 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 414 | 13 | 2 | 3 | 6.9 | CCCCCC(O)c1ccc([C@H]2CC[C@@H](Cl)[C@@H]2CCCCCCC(=O)O)s1 | nan | ||
| CHEMBL3950412 | 150024 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 414 | 13 | 2 | 3 | 6.9 | CCCCCC(O)c1ccc([C@H]2CC[C@@H](Cl)[C@@H]2CCCCCCC(=O)O)s1 | nan | ||
| 11955255 | 146257 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 408 | 8 | 3 | 3 | 5.0 | CC(C)(C)C(O)c1ccc([C@H]2[C@H](O)C[C@@H](Cl)[C@@H]2C/C=C\CCCC(=O)O)cc1 | nan | ||
| CHEMBL3920560 | 146257 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 408 | 8 | 3 | 3 | 5.0 | CC(C)(C)C(O)c1ccc([C@H]2[C@H](O)C[C@@H](Cl)[C@@H]2C/C=C\CCCC(=O)O)cc1 | nan | ||
| 92135977 | 152896 | 0 | None | -141 | 4 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 396 | 8 | 2 | 3 | 4.2 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2cccc(F)c2)cc1 | nan | ||
| CHEMBL3974652 | 152896 | 0 | None | -141 | 4 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 396 | 8 | 2 | 3 | 4.2 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2cccc(F)c2)cc1 | nan | ||
| 5819 | 1012 | 29 | None | 1 | 2 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 333 | 4 | 1 | 5 | 4.0 | CCOC(=O)c1c(sc2c1CCCCC2)NC(=O)c1ccco1 | 10.1021/jm401431x | ||
| 673766 | 1012 | 29 | None | 1 | 2 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 333 | 4 | 1 | 5 | 4.0 | CCOC(=O)c1c(sc2c1CCCCC2)NC(=O)c1ccco1 | 10.1021/jm401431x | ||
| CHEMBL1578948 | 1012 | 29 | None | 1 | 2 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 333 | 4 | 1 | 5 | 4.0 | CCOC(=O)c1c(sc2c1CCCCC2)NC(=O)c1ccco1 | 10.1021/jm401431x | ||
| 11855871 | 146408 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 429 | 11 | 1 | 5 | 4.9 | CCCCCC(=O)c1ccc(N2C(=O)CC[C@@H]2COCc2ccc(C(=O)O)s2)cc1 | nan | ||
| CHEMBL3921784 | 146408 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 429 | 11 | 1 | 5 | 4.9 | CCCCCC(=O)c1ccc(N2C(=O)CC[C@@H]2COCc2ccc(C(=O)O)s2)cc1 | nan | ||
| 11855594 | 152980 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 417 | 10 | 2 | 5 | 4.4 | CCCCC(O)c1ccc(N2C(=O)CC[C@@H]2COCc2ccc(C(=O)O)s2)cc1 | nan | ||
| CHEMBL3975238 | 152980 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 417 | 10 | 2 | 5 | 4.4 | CCCCC(O)c1ccc(N2C(=O)CC[C@@H]2COCc2ccc(C(=O)O)s2)cc1 | nan | ||
| 11502897 | 142793 | 0 | None | 43 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 431 | 11 | 2 | 5 | 4.8 | CCCCCC(O)c1ccc(N2C(=O)CC[C@@H]2COCc2ccc(C(=O)O)s2)cc1 | nan | ||
| CHEMBL3892847 | 142793 | 0 | None | 43 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 431 | 11 | 2 | 5 | 4.8 | CCCCCC(O)c1ccc(N2C(=O)CC[C@@H]2COCc2ccc(C(=O)O)s2)cc1 | nan | ||
| 11502897 | 142793 | 0 | None | 43 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 431 | 11 | 2 | 5 | 4.8 | CCCCCC(O)c1ccc(N2C(=O)CC[C@@H]2COCc2ccc(C(=O)O)s2)cc1 | nan | ||
| CHEMBL3892847 | 142793 | 0 | None | 43 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 431 | 11 | 2 | 5 | 4.8 | CCCCCC(O)c1ccc(N2C(=O)CC[C@@H]2COCc2ccc(C(=O)O)s2)cc1 | nan | ||
| 89443779 | 148739 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 399 | 7 | 3 | 4 | 4.7 | Cc1c(OCC(=O)O)ccc(F)c1NCc1cc(O)cc(-c2cccc(F)c2)c1 | nan | ||
| CHEMBL3940318 | 148739 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 399 | 7 | 3 | 4 | 4.7 | Cc1c(OCC(=O)O)ccc(F)c1NCc1cc(O)cc(-c2cccc(F)c2)c1 | nan | ||
| 89443711 | 150979 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 433 | 7 | 2 | 3 | 5.6 | Cc1cc(-c2cc(F)cc(F)c2)cc(CNc2c(F)ccc(OCC(=O)O)c2F)c1C | nan | ||
| CHEMBL3958279 | 150979 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 433 | 7 | 2 | 3 | 5.6 | Cc1cc(-c2cc(F)cc(F)c2)cc(CNc2c(F)ccc(OCC(=O)O)c2F)c1C | nan | ||
| 118517483 | 144271 | 0 | None | -22 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 396 | 8 | 2 | 3 | 4.2 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2ccccc2F)cc1 | nan | ||
| CHEMBL3904946 | 144271 | 0 | None | -22 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 396 | 8 | 2 | 3 | 4.2 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2ccccc2F)cc1 | nan | ||
| 118517359 | 144396 | 0 | None | -79 | 4 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 456 | 8 | 2 | 3 | 4.8 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2cccc(Br)c2)cc1 | nan | ||
| CHEMBL3906016 | 144396 | 0 | None | -79 | 4 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 456 | 8 | 2 | 3 | 4.8 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2cccc(Br)c2)cc1 | nan | ||
| 118517488 | 153711 | 0 | None | -14 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 414 | 8 | 2 | 3 | 4.4 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2cccc(F)c2F)cc1 | nan | ||
| CHEMBL3981554 | 153711 | 0 | None | -14 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 414 | 8 | 2 | 3 | 4.4 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2cccc(F)c2F)cc1 | nan | ||
| 44442327 | 94459 | 0 | None | -891 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 345 | 9 | 2 | 3 | 3.0 | CCCC[C@H](O)/C=C/[C@H]1CCC(=O)N1CCc1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2007.11.020 | ||
| CHEMBL251294 | 94459 | 0 | None | -891 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 345 | 9 | 2 | 3 | 3.0 | CCCC[C@H](O)/C=C/[C@H]1CCC(=O)N1CCc1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2007.11.020 | ||
| 11955358 | 153082 | 0 | None | -11 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 364 | 8 | 2 | 2 | 4.7 | O=C(O)CCCCCC[C@@H]1[C@@H](c2ccc3c(c2)CCC3)[C@H](O)C[C@H]1Cl | nan | ||
| CHEMBL3976116 | 153082 | 0 | None | -11 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 364 | 8 | 2 | 2 | 4.7 | O=C(O)CCCCCC[C@@H]1[C@@H](c2ccc3c(c2)CCC3)[C@H](O)C[C@H]1Cl | nan | ||
| 155521507 | 176449 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 482 | 10 | 2 | 6 | 4.1 | CC(C)(C)c1ccc(CN(Cc2cccc(NCCC(=O)O)n2)S(=O)(=O)c2cccnc2)cc1 | 10.1021/acs.jmedchem.8b00808 | ||
| CHEMBL4451941 | 176449 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 482 | 10 | 2 | 6 | 4.1 | CC(C)(C)c1ccc(CN(Cc2cccc(NCCC(=O)O)n2)S(=O)(=O)c2cccnc2)cc1 | 10.1021/acs.jmedchem.8b00808 | ||
| CHEMBL4596396 | 176449 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 482 | 10 | 2 | 6 | 4.1 | CC(C)(C)c1ccc(CN(Cc2cccc(NCCC(=O)O)n2)S(=O)(=O)c2cccnc2)cc1 | 10.1021/acs.jmedchem.8b00808 | ||
| 56839342 | 149007 | 0 | None | -83 | 7 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 646 | 13 | 2 | 7 | 6.0 | O=C(CCc1ccc(Cl)cc1CN1CCC[C@H]1c1nc(C(=O)NCCCCC2CCCCC2)co1)NS(=O)(=O)C(F)(F)F | nan | ||
| CHEMBL3942394 | 149007 | 0 | None | -83 | 7 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 646 | 13 | 2 | 7 | 6.0 | O=C(CCc1ccc(Cl)cc1CN1CCC[C@H]1c1nc(C(=O)NCCCCC2CCCCC2)co1)NS(=O)(=O)C(F)(F)F | nan | ||
| 58932678 | 75288 | 0 | None | -301 | 2 | Rat | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 549 | 10 | 2 | 8 | 5.2 | Cc1cccc2oc(-c3cccc(C[C@H](O)/C=C/[C@H]4CCC(=O)N4CCSc4nc(C(=O)O)cs4)c3)nc12 | 10.1016/j.bmc.2012.04.008 | ||
| CHEMBL2037290 | 75288 | 0 | None | -301 | 2 | Rat | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 549 | 10 | 2 | 8 | 5.2 | Cc1cccc2oc(-c3cccc(C[C@H](O)/C=C/[C@H]4CCC(=O)N4CCSc4nc(C(=O)O)cs4)c3)nc12 | 10.1016/j.bmc.2012.04.008 | ||
| 22246956 | 196319 | 0 | None | - | 1 | Rat | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 411 | 15 | 1 | 4 | 4.2 | CCCCCC(=O)c1ccc(CN(CCCCCCC(=O)O)S(C)(=O)=O)cc1 | 10.1016/j.bmcl.2009.01.059 | ||
| CHEMBL562291 | 196319 | 0 | None | - | 1 | Rat | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 411 | 15 | 1 | 4 | 4.2 | CCCCCC(=O)c1ccc(CN(CCCCCCC(=O)O)S(C)(=O)=O)cc1 | 10.1016/j.bmcl.2009.01.059 | ||
| 69753740 | 140222 | 0 | None | -2454 | 5 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 390 | 9 | 3 | 5 | 2.8 | O=C(O)CCC[C@H]1CC[C@H]2[C@H](C[C@@H](O)[C@@H]2/C=C/[C@@H](O)COc2ccccc2)O1 | 10.1021/acsmedchemlett.5b00455 | ||
| CHEMBL3805134 | 140222 | 0 | None | -2454 | 5 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 390 | 9 | 3 | 5 | 2.8 | O=C(O)CCC[C@H]1CC[C@H]2[C@H](C[C@@H](O)[C@@H]2/C=C/[C@@H](O)COc2ccccc2)O1 | 10.1021/acsmedchemlett.5b00455 | ||
| 134155748 | 151169 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 400 | 12 | 2 | 4 | 4.7 | CCCCCC(=O)c1ccc([C@H]2[C@H](O)CC(=O)[C@@H]2C/C=C\CCCC(=O)O)cc1 | nan | ||
| CHEMBL3959653 | 151169 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 400 | 12 | 2 | 4 | 4.7 | CCCCCC(=O)c1ccc([C@H]2[C@H](O)CC(=O)[C@@H]2C/C=C\CCCC(=O)O)cc1 | nan | ||
| 89443669 | 147212 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 417 | 7 | 3 | 4 | 4.9 | Cc1cc(-c2cccc(F)c2)cc(CNc2c(F)ccc(OCC(=O)O)c2F)c1O | nan | ||
| CHEMBL3928263 | 147212 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 417 | 7 | 3 | 4 | 4.9 | Cc1cc(-c2cccc(F)c2)cc(CNc2c(F)ccc(OCC(=O)O)c2F)c1O | nan | ||
| 89443662 | 152888 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 412 | 7 | 2 | 4 | 4.7 | N#Cc1c(OCC(=O)O)ccc(F)c1NCc1cc(-c2cccc(F)c2)ccc1F | nan | ||
| CHEMBL3974557 | 152888 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 412 | 7 | 2 | 4 | 4.7 | N#Cc1c(OCC(=O)O)ccc(F)c1NCc1cc(-c2cccc(F)c2)ccc1F | nan | ||
| 1883 | 3082 | 75 | None | -6 | 12 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1021/acs.jmedchem.9b00336 | ||
| 1916 | 3082 | 75 | None | -6 | 12 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1021/acs.jmedchem.9b00336 | ||
| 5280360 | 3082 | 75 | None | -6 | 12 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1021/acs.jmedchem.9b00336 | ||
| 913 | 3082 | 75 | None | -6 | 12 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1021/acs.jmedchem.9b00336 | ||
| CHEMBL548 | 3082 | 75 | None | -6 | 12 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1021/acs.jmedchem.9b00336 | ||
| DB00917 | 3082 | 75 | None | -6 | 12 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1021/acs.jmedchem.9b00336 | ||
| 56835070 | 69471 | 0 | None | -112 | 2 | Rat | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 432 | 9 | 2 | 6 | 3.4 | Cc1cccc(C[C@H](O)/C=C/[C@H]2CCC(=O)N2CCSc2nc(C(=O)O)cs2)c1 | 10.1016/j.bmc.2012.02.018 | ||
| CHEMBL1933722 | 69471 | 0 | None | -112 | 2 | Rat | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 432 | 9 | 2 | 6 | 3.4 | Cc1cccc(C[C@H](O)/C=C/[C@H]2CCC(=O)N2CCSc2nc(C(=O)O)cs2)c1 | 10.1016/j.bmc.2012.02.018 | ||
| 56835070 | 69471 | 0 | None | -112 | 2 | Rat | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 432 | 9 | 2 | 6 | 3.4 | Cc1cccc(C[C@H](O)/C=C/[C@H]2CCC(=O)N2CCSc2nc(C(=O)O)cs2)c1 | 10.1016/j.bmc.2012.04.008 | ||
| CHEMBL1933722 | 69471 | 0 | None | -112 | 2 | Rat | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 432 | 9 | 2 | 6 | 3.4 | Cc1cccc(C[C@H](O)/C=C/[C@H]2CCC(=O)N2CCSc2nc(C(=O)O)cs2)c1 | 10.1016/j.bmc.2012.04.008 | ||
| 51036042 | 176341 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 405 | 8 | 2 | 5 | 2.8 | CC(C)(C)c1ccc(CN(Cc2cccc(NCC(=O)O)n2)S(C)(=O)=O)cc1 | 10.1021/acs.jmedchem.8b00808 | ||
| CHEMBL4554216 | 176341 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 405 | 8 | 2 | 5 | 2.8 | CC(C)(C)c1ccc(CN(Cc2cccc(NCC(=O)O)n2)S(C)(=O)=O)cc1 | 10.1021/acs.jmedchem.8b00808 | ||
| CHEMBL4595541 | 176341 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 405 | 8 | 2 | 5 | 2.8 | CC(C)(C)c1ccc(CN(Cc2cccc(NCC(=O)O)n2)S(C)(=O)=O)cc1 | 10.1021/acs.jmedchem.8b00808 | ||
| 66857975 | 164488 | 0 | None | -10 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 454 | 10 | 2 | 7 | 4.4 | CC(O)(C/C=C/[C@H]1COC(=O)N1CCSc1nc(C(=O)O)cs1)CC1CCCCC1 | 10.1016/j.bmc.2017.11.035 | ||
| CHEMBL4214346 | 164488 | 0 | None | -10 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 454 | 10 | 2 | 7 | 4.4 | CC(O)(C/C=C/[C@H]1COC(=O)N1CCSc1nc(C(=O)O)cs1)CC1CCCCC1 | 10.1016/j.bmc.2017.11.035 | ||
| 11955133 | 145649 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 374 | 8 | 1 | 4 | 4.5 | COC(=O)CCCCCC[C@H]1C(=O)C[C@@H](O)[C@@H]1c1ccc(C(C)(C)C)cc1 | nan | ||
| CHEMBL3915820 | 145649 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 374 | 8 | 1 | 4 | 4.5 | COC(=O)CCCCCC[C@H]1C(=O)C[C@@H](O)[C@@H]1c1ccc(C(C)(C)C)cc1 | nan | ||
| 9820676 | 195045 | 0 | None | - | 1 | Rat | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 369 | 13 | 1 | 3 | 3.8 | CCCCc1ccc(CN(CCCCCCC(=O)O)S(C)(=O)=O)cc1 | 10.1016/j.bmcl.2009.01.059 | ||
| CHEMBL549461 | 195045 | 0 | None | - | 1 | Rat | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 369 | 13 | 1 | 3 | 3.8 | CCCCc1ccc(CN(CCCCCCC(=O)O)S(C)(=O)=O)cc1 | 10.1016/j.bmcl.2009.01.059 | ||
| 89444029 | 149094 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 401 | 7 | 2 | 3 | 5.2 | Cc1ccc(OCC(=O)O)c(F)c1NCc1cc(-c2cccc(F)c2)ccc1F | nan | ||
| CHEMBL3943109 | 149094 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 401 | 7 | 2 | 3 | 5.2 | Cc1ccc(OCC(=O)O)c(F)c1NCc1cc(-c2cccc(F)c2)ccc1F | nan | ||
| 122180297 | 121647 | 0 | None | 4466 | 2 | Human | 8.0 | pIC50 | = | 8 | Functional | ChEMBL | 437 | 3 | 1 | 4 | 4.9 | C[C@@H]1COc2c(Cl)cc(-n3ccc4cc(F)ccc43)cc2CN1Cc1cc[nH]c(=O)c1 | 10.1021/acs.jmedchem.5b00567 | ||
| CHEMBL3586362 | 121647 | 0 | None | 4466 | 2 | Human | 8.0 | pIC50 | = | 8 | Functional | ChEMBL | 437 | 3 | 1 | 4 | 4.9 | C[C@@H]1COc2c(Cl)cc(-n3ccc4cc(F)ccc43)cc2CN1Cc1cc[nH]c(=O)c1 | 10.1021/acs.jmedchem.5b00567 | ||
| 122180261 | 121613 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 426 | 4 | 0 | 5 | 5.8 | COc1cc(-c2csc3ccccc23)cc2c1OCCN(Cc1cccc(C#N)c1)C2 | 10.1021/acs.jmedchem.5b00567 | ||
| CHEMBL3586324 | 121613 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 426 | 4 | 0 | 5 | 5.8 | COc1cc(-c2csc3ccccc23)cc2c1OCCN(Cc1cccc(C#N)c1)C2 | 10.1021/acs.jmedchem.5b00567 | ||
| 122180274 | 121623 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 385 | 4 | 0 | 5 | 4.4 | COc1cc(-n2ccc3ccccc32)cc2c1OCCN(Cc1cccnc1)C2 | 10.1021/acs.jmedchem.5b00567 | ||
| CHEMBL3586337 | 121623 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 385 | 4 | 0 | 5 | 4.4 | COc1cc(-n2ccc3ccccc32)cc2c1OCCN(Cc1cccnc1)C2 | 10.1021/acs.jmedchem.5b00567 | ||
| 122180288 | 121638 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 386 | 3 | 0 | 4 | 5.7 | Cc1cc(-c2csc3ccccc23)cc2c1OCCN(Cc1cccnc1)C2 | 10.1021/acs.jmedchem.5b00567 | ||
| CHEMBL3586352 | 121638 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 386 | 3 | 0 | 4 | 5.7 | Cc1cc(-c2csc3ccccc23)cc2c1OCCN(Cc1cccnc1)C2 | 10.1021/acs.jmedchem.5b00567 | ||
| 122180250 | 121602 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 432 | 5 | 0 | 6 | 5.4 | COc1cc(-c2csc3ccccc23)cc2c1OCCN(Cc1cccnc1OC)C2 | 10.1021/acs.jmedchem.5b00567 | ||
| CHEMBL3586313 | 121602 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 432 | 5 | 0 | 6 | 5.4 | COc1cc(-c2csc3ccccc23)cc2c1OCCN(Cc1cccnc1OC)C2 | 10.1021/acs.jmedchem.5b00567 | ||
| 122180267 | 121617 | 0 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 360 | 4 | 0 | 4 | 4.5 | COc1cc(-c2cccc(C)c2)cc2c1OCCN(Cc1cccnc1)C2 | 10.1021/acs.jmedchem.5b00567 | ||
| CHEMBL3586330 | 121617 | 0 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 360 | 4 | 0 | 4 | 4.5 | COc1cc(-c2cccc(C)c2)cc2c1OCCN(Cc1cccnc1)C2 | 10.1021/acs.jmedchem.5b00567 | ||
| 122180251 | 121603 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 432 | 5 | 0 | 6 | 5.4 | COc1ccc(CN2CCOc3c(cc(-c4csc5ccccc45)cc3OC)C2)cn1 | 10.1021/acs.jmedchem.5b00567 | ||
| CHEMBL3586314 | 121603 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 432 | 5 | 0 | 6 | 5.4 | COc1ccc(CN2CCOc3c(cc(-c4csc5ccccc45)cc3OC)C2)cn1 | 10.1021/acs.jmedchem.5b00567 | ||
| 122180273 | 121622 | 0 | None | - | 1 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 386 | 4 | 0 | 6 | 3.8 | COc1cc(-n2cnc3ccccc32)cc2c1OCCN(Cc1cccnc1)C2 | 10.1021/acs.jmedchem.5b00567 | ||
| CHEMBL3586336 | 121622 | 0 | None | - | 1 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 386 | 4 | 0 | 6 | 3.8 | COc1cc(-n2cnc3ccccc32)cc2c1OCCN(Cc1cccnc1)C2 | 10.1021/acs.jmedchem.5b00567 | ||
| 1987175 | 3794 | 31 | None | 1 | 5 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 491 | 7 | 3 | 7 | 3.6 | CCc1nnc(s1)NS(=O)(=O)c1ccc(cc1)NC(=S)NC(=O)/C=C/c1ccc(cc1)F | 10.1021/ml400112h | ||
| 9283 | 3794 | 31 | None | 1 | 5 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 491 | 7 | 3 | 7 | 3.6 | CCc1nnc(s1)NS(=O)(=O)c1ccc(cc1)NC(=S)NC(=O)/C=C/c1ccc(cc1)F | 10.1021/ml400112h | ||
| CHEMBL1372836 | 3794 | 31 | None | 1 | 5 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 491 | 7 | 3 | 7 | 3.6 | CCc1nnc(s1)NS(=O)(=O)c1ccc(cc1)NC(=S)NC(=O)/C=C/c1ccc(cc1)F | 10.1021/ml400112h | ||
| 122180270 | 121619 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 380 | 4 | 0 | 4 | 4.8 | COc1cc(-c2cccc(Cl)c2)cc2c1OCCN(Cc1cccnc1)C2 | 10.1021/acs.jmedchem.5b00567 | ||
| CHEMBL3586333 | 121619 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 380 | 4 | 0 | 4 | 4.8 | COc1cc(-c2cccc(Cl)c2)cc2c1OCCN(Cc1cccnc1)C2 | 10.1021/acs.jmedchem.5b00567 | ||
| 122180282 | 121631 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 410 | 4 | 0 | 6 | 4.3 | COc1cc(-n2ccc3cc(C#N)ccc32)cc2c1OCCN(Cc1cccnc1)C2 | 10.1021/acs.jmedchem.5b00567 | ||
| CHEMBL3586345 | 121631 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 410 | 4 | 0 | 6 | 4.3 | COc1cc(-n2ccc3cc(C#N)ccc32)cc2c1OCCN(Cc1cccnc1)C2 | 10.1021/acs.jmedchem.5b00567 | ||
| 122180295 | 121644 | 0 | None | 281 | 2 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 422 | 3 | 1 | 4 | 5.3 | O=c1cc(CN2CCOc3c(Cl)cc(-c4csc5ccccc45)cc3C2)cc[nH]1 | 10.1021/acs.jmedchem.5b00567 | ||
| CHEMBL3586359 | 121644 | 0 | None | 281 | 2 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 422 | 3 | 1 | 4 | 5.3 | O=c1cc(CN2CCOc3c(Cl)cc(-c4csc5ccccc45)cc3C2)cc[nH]1 | 10.1021/acs.jmedchem.5b00567 | ||
| 122180296 | 121646 | 0 | None | 758 | 2 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 436 | 3 | 1 | 4 | 5.7 | C[C@@H]1COc2c(Cl)cc(-c3csc4ccccc34)cc2CN1Cc1cc[nH]c(=O)c1 | 10.1021/acs.jmedchem.5b00567 | ||
| CHEMBL3586361 | 121646 | 0 | None | 758 | 2 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 436 | 3 | 1 | 4 | 5.7 | C[C@@H]1COc2c(Cl)cc(-c3csc4ccccc34)cc2CN1Cc1cc[nH]c(=O)c1 | 10.1021/acs.jmedchem.5b00567 | ||
| 122180265 | 121616 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 396 | 4 | 0 | 4 | 5.3 | COc1cc(-c2cccc3ccccc23)cc2c1OCCN(Cc1cccnc1)C2 | 10.1021/acs.jmedchem.5b00567 | ||
| CHEMBL3586328 | 121616 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 396 | 4 | 0 | 4 | 5.3 | COc1cc(-c2cccc3ccccc23)cc2c1OCCN(Cc1cccnc1)C2 | 10.1021/acs.jmedchem.5b00567 | ||
| 122180276 | 121625 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 399 | 4 | 0 | 5 | 4.6 | COc1cc(-c2cn(C)c3ccccc23)cc2c1OCCN(Cc1cccnc1)C2 | 10.1021/acs.jmedchem.5b00567 | ||
| CHEMBL3586339 | 121625 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 399 | 4 | 0 | 5 | 4.6 | COc1cc(-c2cn(C)c3ccccc23)cc2c1OCCN(Cc1cccnc1)C2 | 10.1021/acs.jmedchem.5b00567 | ||
| 122180289 | 121639 | 0 | None | 7 | 2 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 406 | 3 | 0 | 4 | 6.0 | Clc1cc(-c2csc3ccccc23)cc2c1OCCN(Cc1cccnc1)C2 | 10.1021/acs.jmedchem.5b00567 | ||
| CHEMBL3586353 | 121639 | 0 | None | 7 | 2 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 406 | 3 | 0 | 4 | 6.0 | Clc1cc(-c2csc3ccccc23)cc2c1OCCN(Cc1cccnc1)C2 | 10.1021/acs.jmedchem.5b00567 | ||
| 56927669 | 121645 | 0 | None | -2 | 4 | Rat | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 423 | 3 | 1 | 4 | 4.5 | O=c1cc(CN2CCOc3c(Cl)cc(-n4ccc5cc(F)ccc54)cc3C2)cc[nH]1 | 10.1021/acs.jmedchem.5b00567 | ||
| CHEMBL3586360 | 121645 | 0 | None | -2 | 4 | Rat | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 423 | 3 | 1 | 4 | 4.5 | O=c1cc(CN2CCOc3c(Cl)cc(-n4ccc5cc(F)ccc54)cc3C2)cc[nH]1 | 10.1021/acs.jmedchem.5b00567 | ||
| 30897313 | 121598 | 0 | None | -2 | 5 | Rat | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 402 | 4 | 0 | 5 | 5.4 | COc1cc(-c2csc3ccccc23)cc2c1OCCN(Cc1cccnc1)C2 | 10.1021/acs.jmedchem.5b00567 | ||
| CHEMBL3586309 | 121598 | 0 | None | -2 | 5 | Rat | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 402 | 4 | 0 | 5 | 5.4 | COc1cc(-c2csc3ccccc23)cc2c1OCCN(Cc1cccnc1)C2 | 10.1021/acs.jmedchem.5b00567 | ||
| 42484632 | 121599 | 5 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 402 | 4 | 0 | 5 | 5.4 | COc1cc(-c2csc3ccccc23)cc2c1OCCN(Cc1ccccn1)C2 | 10.1021/acs.jmedchem.5b00567 | ||
| CHEMBL3586310 | 121599 | 5 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 402 | 4 | 0 | 5 | 5.4 | COc1cc(-c2csc3ccccc23)cc2c1OCCN(Cc1ccccn1)C2 | 10.1021/acs.jmedchem.5b00567 | ||
| 122180275 | 121624 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 385 | 4 | 1 | 4 | 4.6 | COc1cc(-c2c[nH]c3ccccc23)cc2c1OCCN(Cc1cccnc1)C2 | 10.1021/acs.jmedchem.5b00567 | ||
| CHEMBL3586338 | 121624 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 385 | 4 | 1 | 4 | 4.6 | COc1cc(-c2c[nH]c3ccccc23)cc2c1OCCN(Cc1cccnc1)C2 | 10.1021/acs.jmedchem.5b00567 | ||
| 122180278 | 121627 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 419 | 4 | 0 | 5 | 5.1 | COc1cc(-n2ccc3c(Cl)cccc32)cc2c1OCCN(Cc1cccnc1)C2 | 10.1021/acs.jmedchem.5b00567 | ||
| CHEMBL3586341 | 121627 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 419 | 4 | 0 | 5 | 5.1 | COc1cc(-n2ccc3c(Cl)cccc32)cc2c1OCCN(Cc1cccnc1)C2 | 10.1021/acs.jmedchem.5b00567 | ||
| 122180286 | 121635 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 388 | 3 | 1 | 5 | 5.1 | Oc1cc(-c2csc3ccccc23)cc2c1OCCN(Cc1cccnc1)C2 | 10.1021/acs.jmedchem.5b00567 | ||
| CHEMBL3586349 | 121635 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 388 | 3 | 1 | 5 | 5.1 | Oc1cc(-c2csc3ccccc23)cc2c1OCCN(Cc1cccnc1)C2 | 10.1021/acs.jmedchem.5b00567 | ||
| 56927669 | 121645 | 0 | None | 2 | 4 | Mouse | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 423 | 3 | 1 | 4 | 4.5 | O=c1cc(CN2CCOc3c(Cl)cc(-n4ccc5cc(F)ccc54)cc3C2)cc[nH]1 | 10.1021/acs.jmedchem.5b00567 | ||
| CHEMBL3586360 | 121645 | 0 | None | 2 | 4 | Mouse | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 423 | 3 | 1 | 4 | 4.5 | O=c1cc(CN2CCOc3c(Cl)cc(-n4ccc5cc(F)ccc54)cc3C2)cc[nH]1 | 10.1021/acs.jmedchem.5b00567 | ||
| 122180283 | 121632 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 403 | 4 | 0 | 5 | 4.6 | COc1cc(-n2ccc3cc(F)ccc32)cc2c1OCCN(Cc1cccnc1)C2 | 10.1021/acs.jmedchem.5b00567 | ||
| CHEMBL3586346 | 121632 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 403 | 4 | 0 | 5 | 4.6 | COc1cc(-n2ccc3cc(F)ccc32)cc2c1OCCN(Cc1cccnc1)C2 | 10.1021/acs.jmedchem.5b00567 | ||
| 122180280 | 121629 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 419 | 4 | 0 | 5 | 5.1 | COc1cc(-n2ccc3ccc(Cl)cc32)cc2c1OCCN(Cc1cccnc1)C2 | 10.1021/acs.jmedchem.5b00567 | ||
| CHEMBL3586343 | 121629 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 419 | 4 | 0 | 5 | 5.1 | COc1cc(-n2ccc3ccc(Cl)cc32)cc2c1OCCN(Cc1cccnc1)C2 | 10.1021/acs.jmedchem.5b00567 | ||
| 122180263 | 121614 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 402 | 4 | 0 | 5 | 5.4 | COc1cc(-c2cc3ccccc3s2)cc2c1OCCN(Cc1cccnc1)C2 | 10.1021/acs.jmedchem.5b00567 | ||
| CHEMBL3586326 | 121614 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 402 | 4 | 0 | 5 | 5.4 | COc1cc(-c2cc3ccccc3s2)cc2c1OCCN(Cc1cccnc1)C2 | 10.1021/acs.jmedchem.5b00567 | ||
| 56927669 | 121645 | 0 | None | -3 | 4 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 423 | 3 | 1 | 4 | 4.5 | O=c1cc(CN2CCOc3c(Cl)cc(-n4ccc5cc(F)ccc54)cc3C2)cc[nH]1 | 10.1021/acs.jmedchem.5b00567 | ||
| CHEMBL3586360 | 121645 | 0 | None | -3 | 4 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 423 | 3 | 1 | 4 | 4.5 | O=c1cc(CN2CCOc3c(Cl)cc(-n4ccc5cc(F)ccc54)cc3C2)cc[nH]1 | 10.1021/acs.jmedchem.5b00567 | ||
| 122180252 | 121604 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 418 | 4 | 1 | 5 | 4.7 | COc1cc(-c2csc3ccccc23)cc2c1OCCN(Cc1ccc(=O)[nH]c1)C2 | 10.1021/acs.jmedchem.5b00567 | ||
| CHEMBL3586315 | 121604 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 418 | 4 | 1 | 5 | 4.7 | COc1cc(-c2csc3ccccc23)cc2c1OCCN(Cc1ccc(=O)[nH]c1)C2 | 10.1021/acs.jmedchem.5b00567 | ||
| 122180284 | 121633 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 421 | 4 | 0 | 5 | 4.8 | COc1cc(N2CCc3cc(Cl)ccc32)cc2c1OCCN(Cc1cccnc1)C2 | 10.1021/acs.jmedchem.5b00567 | ||
| CHEMBL3586347 | 121633 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 421 | 4 | 0 | 5 | 4.8 | COc1cc(N2CCc3cc(Cl)ccc32)cc2c1OCCN(Cc1cccnc1)C2 | 10.1021/acs.jmedchem.5b00567 | ||
| 30897313 | 121598 | 0 | None | 2 | 5 | Mouse | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 402 | 4 | 0 | 5 | 5.4 | COc1cc(-c2csc3ccccc23)cc2c1OCCN(Cc1cccnc1)C2 | 10.1021/acs.jmedchem.5b00567 | ||
| CHEMBL3586309 | 121598 | 0 | None | 2 | 5 | Mouse | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 402 | 4 | 0 | 5 | 5.4 | COc1cc(-c2csc3ccccc23)cc2c1OCCN(Cc1cccnc1)C2 | 10.1021/acs.jmedchem.5b00567 | ||
| 30897313 | 121598 | 0 | None | -2 | 5 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 402 | 4 | 0 | 5 | 5.4 | COc1cc(-c2csc3ccccc23)cc2c1OCCN(Cc1cccnc1)C2 | 10.1021/acs.jmedchem.5b00567 | ||
| CHEMBL3586309 | 121598 | 0 | None | -2 | 5 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 402 | 4 | 0 | 5 | 5.4 | COc1cc(-c2csc3ccccc23)cc2c1OCCN(Cc1cccnc1)C2 | 10.1021/acs.jmedchem.5b00567 | ||
| 122180272 | 121621 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 403 | 4 | 0 | 6 | 4.8 | COc1cc(-c2nsc3ccccc23)cc2c1OCCN(Cc1cccnc1)C2 | 10.1021/acs.jmedchem.5b00567 | ||
| CHEMBL3586335 | 121621 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 403 | 4 | 0 | 6 | 4.8 | COc1cc(-c2nsc3ccccc23)cc2c1OCCN(Cc1cccnc1)C2 | 10.1021/acs.jmedchem.5b00567 | ||
| 122180279 | 121628 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 419 | 4 | 0 | 5 | 5.1 | COc1cc(-n2ccc3cc(Cl)ccc32)cc2c1OCCN(Cc1cccnc1)C2 | 10.1021/acs.jmedchem.5b00567 | ||
| CHEMBL3586342 | 121628 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 419 | 4 | 0 | 5 | 5.1 | COc1cc(-n2ccc3cc(Cl)ccc32)cc2c1OCCN(Cc1cccnc1)C2 | 10.1021/acs.jmedchem.5b00567 | ||
| 122180249 | 121601 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 403 | 4 | 0 | 6 | 4.8 | COc1cc(-c2csc3ccccc23)cc2c1OCCN(Cc1cncnc1)C2 | 10.1021/acs.jmedchem.5b00567 | ||
| CHEMBL3586312 | 121601 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 403 | 4 | 0 | 6 | 4.8 | COc1cc(-c2csc3ccccc23)cc2c1OCCN(Cc1cncnc1)C2 | 10.1021/acs.jmedchem.5b00567 | ||
| 30956824 | 121600 | 4 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 402 | 4 | 0 | 5 | 5.4 | COc1cc(-c2csc3ccccc23)cc2c1OCCN(Cc1ccncc1)C2 | 10.1021/acs.jmedchem.5b00567 | ||
| CHEMBL3586311 | 121600 | 4 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 402 | 4 | 0 | 5 | 5.4 | COc1cc(-c2csc3ccccc23)cc2c1OCCN(Cc1ccncc1)C2 | 10.1021/acs.jmedchem.5b00567 | ||
| 122180277 | 121626 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 419 | 4 | 0 | 5 | 5.1 | COc1cc(-n2cc(Cl)c3ccccc32)cc2c1OCCN(Cc1cccnc1)C2 | 10.1021/acs.jmedchem.5b00567 | ||
| CHEMBL3586340 | 121626 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 419 | 4 | 0 | 5 | 5.1 | COc1cc(-n2cc(Cl)c3ccccc32)cc2c1OCCN(Cc1cccnc1)C2 | 10.1021/acs.jmedchem.5b00567 | ||
| 44365207 | 40696 | 0 | None | - | 0 | Human | 6.6 | pKd | = | 6.6 | Functional | ChEMBL | 489 | 5 | 2 | 6 | 3.8 | O=C(CCS(=O)(=O)Cc1ccco1)NNC(=O)N1Cc2ccccc2Oc2ccc(Cl)cc21 | 10.1016/0960-894X(94)80027-8 | ||
| CHEMBL148449 | 40696 | 0 | None | - | 0 | Human | 6.6 | pKd | = | 6.6 | Functional | ChEMBL | 489 | 5 | 2 | 6 | 3.8 | O=C(CCS(=O)(=O)Cc1ccco1)NNC(=O)N1Cc2ccccc2Oc2ccc(Cl)cc21 | 10.1016/0960-894X(94)80027-8 | ||
| 38191 | 9913 | 16 | None | - | 0 | Human | 6.2 | pKd | = | 6.2 | Functional | ChEMBL | 407 | 4 | 2 | 3 | 4.6 | O=C(CCCCCl)NNC(=O)N1Cc2ccccc2Oc2ccc(Cl)cc21 | 10.1016/0960-894X(94)80027-8 | ||
| CHEMBL114395 | 9913 | 16 | None | - | 0 | Human | 6.2 | pKd | = | 6.2 | Functional | ChEMBL | 407 | 4 | 2 | 3 | 4.6 | O=C(CCCCCl)NNC(=O)N1Cc2ccccc2Oc2ccc(Cl)cc21 | 10.1016/0960-894X(94)80027-8 | ||
| 44365227 | 121986 | 0 | None | - | 0 | Human | 6.2 | pKd | = | 6.2 | Functional | ChEMBL | 473 | 5 | 2 | 5 | 4.1 | O=C(CC[S+]([O-])Cc1ccco1)NNC(=O)N1Cc2ccccc2Oc2ccc(Cl)cc21 | 10.1016/0960-894X(94)80027-8 | ||
| CHEMBL359231 | 121986 | 0 | None | - | 0 | Human | 6.2 | pKd | = | 6.2 | Functional | ChEMBL | 473 | 5 | 2 | 5 | 4.1 | O=C(CC[S+]([O-])Cc1ccco1)NNC(=O)N1Cc2ccccc2Oc2ccc(Cl)cc21 | 10.1016/0960-894X(94)80027-8 | ||
| 1924 | 3542 | 39 | None | - | 0 | Human | 8.1 | pKd | = | 8.1 | Functional | ChEMBL | 457 | 5 | 2 | 5 | 5.1 | O=C(NNC(=O)N1Cc2ccccc2Oc2c1cc(Cl)cc2)CCSCc1ccco1 | 10.1016/0960-894X(94)80027-8 | ||
| 9933831 | 3542 | 39 | None | - | 0 | Human | 8.1 | pKd | = | 8.1 | Functional | ChEMBL | 457 | 5 | 2 | 5 | 5.1 | O=C(NNC(=O)N1Cc2ccccc2Oc2c1cc(Cl)cc2)CCSCc1ccco1 | 10.1016/0960-894X(94)80027-8 | ||
| CHEMBL358653 | 3542 | 39 | None | - | 0 | Human | 8.1 | pKd | = | 8.1 | Functional | ChEMBL | 457 | 5 | 2 | 5 | 5.1 | O=C(NNC(=O)N1Cc2ccccc2Oc2c1cc(Cl)cc2)CCSCc1ccco1 | 10.1016/0960-894X(94)80027-8 | ||
| 119461 | 320 | 72 | None | - | 0 | Human | 5.9 | pKi | = | 5.9 | Functional | ChEMBL | 298 | 3 | 1 | 4 | 3.4 | CC(Oc1ccc2c(c1)oc1c(c2=O)cc(cc1)C(=O)O)C | 10.1021/jm401431x | ||
| 1896 | 320 | 72 | None | - | 0 | Human | 5.9 | pKi | = | 5.9 | Functional | ChEMBL | 298 | 3 | 1 | 4 | 3.4 | CC(Oc1ccc2c(c1)oc1c(c2=O)cc(cc1)C(=O)O)C | 10.1021/jm401431x | ||
| CHEMBL1317823 | 320 | 72 | None | - | 0 | Human | 5.9 | pKi | = | 5.9 | Functional | ChEMBL | 298 | 3 | 1 | 4 | 3.4 | CC(Oc1ccc2c(c1)oc1c(c2=O)cc(cc1)C(=O)O)C | 10.1021/jm401431x | ||
| 9817405 | 165403 | 5 | None | - | 0 | Human | 4.9 | pKi | = | 4.9 | Functional | ChEMBL | 288 | 4 | 1 | 1 | 4.5 | O=C(O)/C=C/c1ccccc1Cc1ccc2ccccc2c1 | 10.1016/s0960-894x(01)00056-7 | ||
| CHEMBL423815 | 165403 | 5 | None | - | 0 | Human | 4.9 | pKi | = | 4.9 | Functional | ChEMBL | 288 | 4 | 1 | 1 | 4.5 | O=C(O)/C=C/c1ccccc1Cc1ccc2ccccc2c1 | 10.1016/s0960-894x(01)00056-7 | ||
| 10402929 | 57543 | 0 | None | - | 0 | Human | 4.9 | pKi | = | 4.9 | Functional | ChEMBL | 306 | 4 | 1 | 1 | 4.7 | O=C(O)/C=C/c1ccccc1Cc1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(01)00056-7 | ||
| CHEMBL166351 | 57543 | 0 | None | - | 0 | Human | 4.9 | pKi | = | 4.9 | Functional | ChEMBL | 306 | 4 | 1 | 1 | 4.7 | O=C(O)/C=C/c1ccccc1Cc1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(01)00056-7 | ||
| 44377464 | 120085 | 0 | None | - | 0 | Human | 5.4 | pKi | = | 5.4 | Functional | ChEMBL | 306 | 4 | 1 | 1 | 4.7 | O=C(O)/C=C/c1ccccc1Cc1ccc(Cl)cc1Cl | 10.1016/s0960-894x(01)00056-7 | ||
| CHEMBL350832 | 120085 | 0 | None | - | 0 | Human | 5.4 | pKi | = | 5.4 | Functional | ChEMBL | 306 | 4 | 1 | 1 | 4.7 | O=C(O)/C=C/c1ccccc1Cc1ccc(Cl)cc1Cl | 10.1016/s0960-894x(01)00056-7 | ||
| 9817292 | 57227 | 0 | None | - | 0 | Human | 4.4 | pKi | = | 4.4 | Functional | ChEMBL | 284 | 5 | 1 | 2 | 4.1 | CSc1ccc(Cc2ccccc2/C=C/C(=O)O)cc1 | 10.1016/s0960-894x(01)00056-7 | ||
| CHEMBL165010 | 57227 | 0 | None | - | 0 | Human | 4.4 | pKi | = | 4.4 | Functional | ChEMBL | 284 | 5 | 1 | 2 | 4.1 | CSc1ccc(Cc2ccccc2/C=C/C(=O)O)cc1 | 10.1016/s0960-894x(01)00056-7 | ||
| 10483360 | 199228 | 28 | None | - | 4 | Human | 4.4 | pKi | = | 4.4 | Functional | ChEMBL | 580 | 12 | 3 | 6 | 5.8 | CCCCNC(=O)c1ccc(Oc2ccc(CC(=O)O)cc2OC)c(NS(=O)(=O)c2ccc(Cl)cc2Cl)c1 | 10.1016/j.bmcl.2009.09.052 | ||
| CHEMBL589973 | 199228 | 28 | None | - | 4 | Human | 4.4 | pKi | = | 4.4 | Functional | ChEMBL | 580 | 12 | 3 | 6 | 5.8 | CCCCNC(=O)c1ccc(Oc2ccc(CC(=O)O)cc2OC)c(NS(=O)(=O)c2ccc(Cl)cc2Cl)c1 | 10.1016/j.bmcl.2009.09.052 | ||
| 138 | 3081 | 88 | None | -4 | 10 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | None | ||
| 1882 | 3081 | 88 | None | -4 | 10 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | None | ||
| 5280723 | 3081 | 88 | None | -4 | 10 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | None | ||
| CHEMBL495 | 3081 | 88 | None | -4 | 10 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | None | ||
| DB00770 | 3081 | 88 | None | -4 | 10 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | None | ||
| 44230999 | 167446 | 26 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 520 | 11 | 1 | 9 | 3.4 | CC(C)OC(=O)CNc1cccc(CN(Cc2ccc(-n3cccn3)cc2)S(=O)(=O)c2cccnc2)n1 | None | ||
| CHEMBL4297666 | 167446 | 26 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 520 | 11 | 1 | 9 | 3.4 | CC(C)OC(=O)CNc1cccc(CN(Cc2ccc(-n3cccn3)cc2)S(=O)(=O)c2cccnc2)n1 | None | ||
| 1929 | 1605 | 55 | None | 2 | 2 | Rat | 9.5 | pEC50 | = | 9.5 | Functional | Guide to Pharmacology | 468 | 9 | 1 | 5 | 4.2 | OC(=O)COc1cccc(c1)CN(S(=O)(=O)c1cccnc1)Cc1ccc(cc1)C(C)(C)C | 19250823 | ||
| 9890801 | 1605 | 55 | None | 2 | 2 | Rat | 9.5 | pEC50 | = | 9.5 | Functional | Guide to Pharmacology | 468 | 9 | 1 | 5 | 4.2 | OC(=O)COc1cccc(c1)CN(S(=O)(=O)c1cccnc1)Cc1ccc(cc1)C(C)(C)C | 19250823 | ||
| CHEMBL563646 | 1605 | 55 | None | 2 | 2 | Rat | 9.5 | pEC50 | = | 9.5 | Functional | Guide to Pharmacology | 468 | 9 | 1 | 5 | 4.2 | OC(=O)COc1cccc(c1)CN(S(=O)(=O)c1cccnc1)Cc1ccc(cc1)C(C)(C)C | 19250823 | ||
| DB12022 | 1605 | 55 | None | 2 | 2 | Rat | 9.5 | pEC50 | = | 9.5 | Functional | Guide to Pharmacology | 468 | 9 | 1 | 5 | 4.2 | OC(=O)COc1cccc(c1)CN(S(=O)(=O)c1cccnc1)Cc1ccc(cc1)C(C)(C)C | 19250823 | ||
| 1883 | 3082 | 75 | None | -2 | 12 | Rat | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | None | ||
| 1916 | 3082 | 75 | None | -2 | 12 | Rat | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | None | ||
| 5280360 | 3082 | 75 | None | -2 | 12 | Rat | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | None | ||
| 913 | 3082 | 75 | None | -2 | 12 | Rat | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | None | ||
| CHEMBL548 | 3082 | 75 | None | -2 | 12 | Rat | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | None | ||
| DB00917 | 3082 | 75 | None | -2 | 12 | Rat | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | None | ||
| 1929 | 1605 | 55 | None | 2 | 2 | Rat | 7.3 | pIC50 | = | 7.3 | Functional | Guide to Pharmacology | 468 | 9 | 1 | 5 | 4.2 | OC(=O)COc1cccc(c1)CN(S(=O)(=O)c1cccnc1)Cc1ccc(cc1)C(C)(C)C | 19250823 | ||
| 9890801 | 1605 | 55 | None | 2 | 2 | Rat | 7.3 | pIC50 | = | 7.3 | Functional | Guide to Pharmacology | 468 | 9 | 1 | 5 | 4.2 | OC(=O)COc1cccc(c1)CN(S(=O)(=O)c1cccnc1)Cc1ccc(cc1)C(C)(C)C | 19250823 | ||
| CHEMBL563646 | 1605 | 55 | None | 2 | 2 | Rat | 7.3 | pIC50 | = | 7.3 | Functional | Guide to Pharmacology | 468 | 9 | 1 | 5 | 4.2 | OC(=O)COc1cccc(c1)CN(S(=O)(=O)c1cccnc1)Cc1ccc(cc1)C(C)(C)C | 19250823 | ||
| DB12022 | 1605 | 55 | None | 2 | 2 | Rat | 7.3 | pIC50 | = | 7.3 | Functional | Guide to Pharmacology | 468 | 9 | 1 | 5 | 4.2 | OC(=O)COc1cccc(c1)CN(S(=O)(=O)c1cccnc1)Cc1ccc(cc1)C(C)(C)C | 19250823 | ||
| 18376177 | 3753 | 50 | None | -1 | 2 | Human | 8.0 | pIC50 | = | 8 | Functional | Guide to Pharmacology | 478 | 10 | 1 | 7 | 3.1 | OC(=O)COc1cccc(c1)CN(S(=O)(=O)c1cccnc1)Cc1ccc(cc1)n1cccn1 | 21376717 | ||
| 5816 | 3753 | 50 | None | -1 | 2 | Human | 8.0 | pIC50 | = | 8 | Functional | Guide to Pharmacology | 478 | 10 | 1 | 7 | 3.1 | OC(=O)COc1cccc(c1)CN(S(=O)(=O)c1cccnc1)Cc1ccc(cc1)n1cccn1 | 21376717 | ||
| CHEMBL2107783 | 3753 | 50 | None | -1 | 2 | Human | 8.0 | pIC50 | = | 8 | Functional | Guide to Pharmacology | 478 | 10 | 1 | 7 | 3.1 | OC(=O)COc1cccc(c1)CN(S(=O)(=O)c1cccnc1)Cc1ccc(cc1)n1cccn1 | 21376717 | ||
| DB12623 | 3753 | 50 | None | -1 | 2 | Human | 8.0 | pIC50 | = | 8 | Functional | Guide to Pharmacology | 478 | 10 | 1 | 7 | 3.1 | OC(=O)COc1cccc(c1)CN(S(=O)(=O)c1cccnc1)Cc1ccc(cc1)n1cccn1 | 21376717 | ||
| 18376177 | 3753 | 50 | None | 1 | 2 | Rat | 8.3 | pIC50 | = | 8.3 | Functional | Guide to Pharmacology | 478 | 10 | 1 | 7 | 3.1 | OC(=O)COc1cccc(c1)CN(S(=O)(=O)c1cccnc1)Cc1ccc(cc1)n1cccn1 | 21376717 | ||
| 5816 | 3753 | 50 | None | 1 | 2 | Rat | 8.3 | pIC50 | = | 8.3 | Functional | Guide to Pharmacology | 478 | 10 | 1 | 7 | 3.1 | OC(=O)COc1cccc(c1)CN(S(=O)(=O)c1cccnc1)Cc1ccc(cc1)n1cccn1 | 21376717 | ||
| CHEMBL2107783 | 3753 | 50 | None | 1 | 2 | Rat | 8.3 | pIC50 | = | 8.3 | Functional | Guide to Pharmacology | 478 | 10 | 1 | 7 | 3.1 | OC(=O)COc1cccc(c1)CN(S(=O)(=O)c1cccnc1)Cc1ccc(cc1)n1cccn1 | 21376717 | ||
| DB12623 | 3753 | 50 | None | 1 | 2 | Rat | 8.3 | pIC50 | = | 8.3 | Functional | Guide to Pharmacology | 478 | 10 | 1 | 7 | 3.1 | OC(=O)COc1cccc(c1)CN(S(=O)(=O)c1cccnc1)Cc1ccc(cc1)n1cccn1 | 21376717 | ||
| 12520 | 3796 | 0 | None | - | 1 | Human | 7.9 | pKB | = | 7.9 | Functional | Guide to Pharmacology | 344 | 5 | 3 | 2 | 3.8 | CC1=C(CCNC(=O)C2=CC=C(C=C2)C3=CNC=N3)C4=C(N1)C=CC=C4 | 35187419 | ||
| 12520 | 3796 | 0 | None | - | 1 | Human | 7.9 | pKB | = | 7.9 | Functional | Guide to Pharmacology | 344 | 5 | 3 | 2 | 3.8 | CC1=C(CCNC(=O)C2=CC=C(C=C2)C3=CNC=N3)C4=C(N1)C=CC=C4 | 36654746 | ||
| 155128767 | 3796 | 0 | None | - | 1 | Human | 7.9 | pKB | = | 7.9 | Functional | Guide to Pharmacology | 344 | 5 | 3 | 2 | 3.8 | CC1=C(CCNC(=O)C2=CC=C(C=C2)C3=CNC=N3)C4=C(N1)C=CC=C4 | 35187419 | ||
| 155128767 | 3796 | 0 | None | - | 1 | Human | 7.9 | pKB | = | 7.9 | Functional | Guide to Pharmacology | 344 | 5 | 3 | 2 | 3.8 | CC1=C(CCNC(=O)C2=CC=C(C=C2)C3=CNC=N3)C4=C(N1)C=CC=C4 | 36654746 | ||
| 10603 | 3792 | 0 | None | 537 | 3 | Human | 8.0 | pKB | = | 8.0 | Functional | Guide to Pharmacology | 400 | 6 | 3 | 5 | 4.0 | Cc1cc(Nc2ncc(cn2)C(=O)NCCc2c(C)[nH]c3c2cccc3)nc(c1)C | 31904232 | ||
| 145996528 | 3792 | 0 | None | 537 | 3 | Human | 8.0 | pKB | = | 8.0 | Functional | Guide to Pharmacology | 400 | 6 | 3 | 5 | 4.0 | Cc1cc(Nc2ncc(cn2)C(=O)NCCc2c(C)[nH]c3c2cccc3)nc(c1)C | 31904232 | ||
| CHEMBL4552900 | 3792 | 0 | None | 537 | 3 | Human | 8.0 | pKB | = | 8.0 | Functional | Guide to Pharmacology | 400 | 6 | 3 | 5 | 4.0 | Cc1cc(Nc2ncc(cn2)C(=O)NCCc2c(C)[nH]c3c2cccc3)nc(c1)C | 31904232 | ||
| 1987175 | 3794 | 31 | None | 1 | 5 | Human | 8.1 | pKB | = | 8.1 | Functional | Guide to Pharmacology | 491 | 7 | 3 | 7 | 3.6 | CCc1nnc(s1)NS(=O)(=O)c1ccc(cc1)NC(=S)NC(=O)/C=C/c1ccc(cc1)F | 23914286 | ||
| 9283 | 3794 | 31 | None | 1 | 5 | Human | 8.1 | pKB | = | 8.1 | Functional | Guide to Pharmacology | 491 | 7 | 3 | 7 | 3.6 | CCc1nnc(s1)NS(=O)(=O)c1ccc(cc1)NC(=S)NC(=O)/C=C/c1ccc(cc1)F | 23914286 | ||
| CHEMBL1372836 | 3794 | 31 | None | 1 | 5 | Human | 8.1 | pKB | = | 8.1 | Functional | Guide to Pharmacology | 491 | 7 | 3 | 7 | 3.6 | CCc1nnc(s1)NS(=O)(=O)c1ccc(cc1)NC(=S)NC(=O)/C=C/c1ccc(cc1)F | 23914286 | ||
| 25114442 | 3061 | 56 | None | -1 | 3 | Human | 8.3 | pKB | = | 8.3 | Functional | Guide to Pharmacology | 409 | 6 | 1 | 4 | 3.6 | COc1ccc2c(c1)ccc(c2)OCC1(CN(C1)C(=O)c1ccc(cc1)F)C(=O)O | 21595651 | ||
| 25114442 | 3061 | 56 | None | -1 | 3 | Human | 8.3 | pKB | = | 8.3 | Functional | Guide to Pharmacology | 409 | 6 | 1 | 4 | 3.6 | COc1ccc2c(c1)ccc(c2)OCC1(CN(C1)C(=O)c1ccc(cc1)F)C(=O)O | 22747912 | ||
| 5817 | 3061 | 56 | None | -1 | 3 | Human | 8.3 | pKB | = | 8.3 | Functional | Guide to Pharmacology | 409 | 6 | 1 | 4 | 3.6 | COc1ccc2c(c1)ccc(c2)OCC1(CN(C1)C(=O)c1ccc(cc1)F)C(=O)O | 21595651 | ||
| 5817 | 3061 | 56 | None | -1 | 3 | Human | 8.3 | pKB | = | 8.3 | Functional | Guide to Pharmacology | 409 | 6 | 1 | 4 | 3.6 | COc1ccc2c(c1)ccc(c2)OCC1(CN(C1)C(=O)c1ccc(cc1)F)C(=O)O | 22747912 | ||
| CHEMBL3286797 | 3061 | 56 | None | -1 | 3 | Human | 8.3 | pKB | = | 8.3 | Functional | Guide to Pharmacology | 409 | 6 | 1 | 4 | 3.6 | COc1ccc2c(c1)ccc(c2)OCC1(CN(C1)C(=O)c1ccc(cc1)F)C(=O)O | 21595651 | ||
| CHEMBL3286797 | 3061 | 56 | None | -1 | 3 | Human | 8.3 | pKB | = | 8.3 | Functional | Guide to Pharmacology | 409 | 6 | 1 | 4 | 3.6 | COc1ccc2c(c1)ccc(c2)OCC1(CN(C1)C(=O)c1ccc(cc1)F)C(=O)O | 22747912 | ||
| DB12024 | 3061 | 56 | None | -1 | 3 | Human | 8.3 | pKB | = | 8.3 | Functional | Guide to Pharmacology | 409 | 6 | 1 | 4 | 3.6 | COc1ccc2c(c1)ccc(c2)OCC1(CN(C1)C(=O)c1ccc(cc1)F)C(=O)O | 21595651 | ||
| DB12024 | 3061 | 56 | None | -1 | 3 | Human | 8.3 | pKB | = | 8.3 | Functional | Guide to Pharmacology | 409 | 6 | 1 | 4 | 3.6 | COc1ccc2c(c1)ccc(c2)OCC1(CN(C1)C(=O)c1ccc(cc1)F)C(=O)O | 22747912 | ||
| 25114442 | 3061 | 56 | None | 1 | 3 | Mouse | 8.3 | pKB | = | 8.3 | Functional | Guide to Pharmacology | 409 | 6 | 1 | 4 | 3.6 | COc1ccc2c(c1)ccc(c2)OCC1(CN(C1)C(=O)c1ccc(cc1)F)C(=O)O | 22747912 | ||
| 5817 | 3061 | 56 | None | 1 | 3 | Mouse | 8.3 | pKB | = | 8.3 | Functional | Guide to Pharmacology | 409 | 6 | 1 | 4 | 3.6 | COc1ccc2c(c1)ccc(c2)OCC1(CN(C1)C(=O)c1ccc(cc1)F)C(=O)O | 22747912 | ||
| CHEMBL3286797 | 3061 | 56 | None | 1 | 3 | Mouse | 8.3 | pKB | = | 8.3 | Functional | Guide to Pharmacology | 409 | 6 | 1 | 4 | 3.6 | COc1ccc2c(c1)ccc(c2)OCC1(CN(C1)C(=O)c1ccc(cc1)F)C(=O)O | 22747912 | ||
| DB12024 | 3061 | 56 | None | 1 | 3 | Mouse | 8.3 | pKB | = | 8.3 | Functional | Guide to Pharmacology | 409 | 6 | 1 | 4 | 3.6 | COc1ccc2c(c1)ccc(c2)OCC1(CN(C1)C(=O)c1ccc(cc1)F)C(=O)O | 22747912 | ||
| 46213069 | 3063 | 0 | None | - | 1 | Human | 8.5 | pKB | = | 8.5 | Functional | Guide to Pharmacology | 456 | 7 | 1 | 5 | 4.2 | COc1ccc(cc1)C(=O)N1CCC(C1)(COc1ccc(cc1)c1ccc(cc1)C#N)C(=O)O | 23786281 | ||
| 8538 | 3063 | 0 | None | - | 1 | Human | 8.5 | pKB | = | 8.5 | Functional | Guide to Pharmacology | 456 | 7 | 1 | 5 | 4.2 | COc1ccc(cc1)C(=O)N1CCC(C1)(COc1ccc(cc1)c1ccc(cc1)C#N)C(=O)O | 23786281 | ||
| CHEMBL5285583 | 3063 | 0 | None | - | 1 | Human | 8.5 | pKB | = | 8.5 | Functional | Guide to Pharmacology | 456 | 7 | 1 | 5 | 4.2 | COc1ccc(cc1)C(=O)N1CCC(C1)(COc1ccc(cc1)c1ccc(cc1)C#N)C(=O)O | 23786281 | ||
| 8546 | 3795 | 0 | None | - | 1 | Human | 8.6 | pKB | = | 8.6 | Functional | Guide to Pharmacology | 377 | 9 | 1 | 3 | 4.5 | CCN(c1ccc(cc1)CC(=O)NCCCn1c(C)cc2c1cccc2)CC | 24937185 | ||
| 91827368 | 3795 | 0 | None | - | 1 | Human | 8.6 | pKB | = | 8.6 | Functional | Guide to Pharmacology | 377 | 9 | 1 | 3 | 4.5 | CCN(c1ccc(cc1)CC(=O)NCCCn1c(C)cc2c1cccc2)CC | 24937185 | ||
| 5818 | 3793 | 47 | None | 1096 | 2 | Human | 8.6 | pKB | = | 8.6 | Functional | Guide to Pharmacology | 394 | 8 | 1 | 5 | 3.8 | COc1cc(/C=C/C(=O)NCCn2c(C)cc3c2cccc3)cc(c1OC)OC | 22323596 | ||
| 5886965 | 3793 | 47 | None | 1096 | 2 | Human | 8.6 | pKB | = | 8.6 | Functional | Guide to Pharmacology | 394 | 8 | 1 | 5 | 3.8 | COc1cc(/C=C/C(=O)NCCn2c(C)cc3c2cccc3)cc(c1OC)OC | 22323596 | ||
| CHEMBL1368005 | 3793 | 47 | None | 1096 | 2 | Human | 8.6 | pKB | = | 8.6 | Functional | Guide to Pharmacology | 394 | 8 | 1 | 5 | 3.8 | COc1cc(/C=C/C(=O)NCCn2c(C)cc3c2cccc3)cc(c1OC)OC | 22323596 | ||
| 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 |
| 11855868 | 152544 | 0 | None | - | 1 | Human | 9.8 | pEC50 | = | 9.8 | Binding | ChEMBL | 429 | 11 | 2 | 4 | 5.6 | CCCCCC(O)c1ccc(N2C(=O)CC[C@@H]2CCCc2ccc(C(=O)O)s2)cc1 | nan | |||
| CHEMBL3971632 | 152544 | 0 | None | - | 1 | Human | 9.8 | pEC50 | = | 9.8 | Binding | ChEMBL | 429 | 11 | 2 | 4 | 5.6 | CCCCCC(O)c1ccc(N2C(=O)CC[C@@H]2CCCc2ccc(C(=O)O)s2)cc1 | nan | |||
| 127037150 | 137560 | 0 | None | - | 0 | Human | 9.4 | pEC50 | = | 9.4 | Binding | ChEMBL | 426 | 12 | 2 | 6 | 4.1 | CCCC[C@H](C)C[C@H](O)/C=C/[C@H]1CCC(=O)N1CCSc1nc(C(=O)O)cs1 | 10.1016/j.bmcl.2015.12.039 | |||
| CHEMBL3754586 | 137560 | 0 | None | - | 0 | Human | 9.4 | pEC50 | = | 9.4 | Binding | ChEMBL | 426 | 12 | 2 | 6 | 4.1 | CCCC[C@H](C)C[C@H](O)/C=C/[C@H]1CCC(=O)N1CCSc1nc(C(=O)O)cs1 | 10.1016/j.bmcl.2015.12.039 | |||
| 16725337 | 149601 | 0 | None | - | 1 | Human | 9.2 | pEC50 | = | 9.2 | Binding | ChEMBL | 443 | 12 | 2 | 4 | 6.0 | CCCCCCC(O)c1ccc(N2C(=O)CC[C@@H]2CCCc2ccc(C(=O)O)s2)cc1 | nan | |||
| CHEMBL3947001 | 149601 | 0 | None | - | 1 | Human | 9.2 | pEC50 | = | 9.2 | Binding | ChEMBL | 443 | 12 | 2 | 4 | 6.0 | CCCCCCC(O)c1ccc(N2C(=O)CC[C@@H]2CCCc2ccc(C(=O)O)s2)cc1 | nan | |||
| 59554827 | 137293 | 0 | None | - | 0 | Human | 9.0 | pEC50 | = | 9.0 | Binding | ChEMBL | 426 | 11 | 2 | 6 | 4.1 | CCCCC(C)(C)[C@H](O)/C=C/[C@H]1CCC(=O)N1CCSc1nc(C(=O)O)cs1 | 10.1016/j.bmcl.2015.12.039 | |||
| CHEMBL3752377 | 137293 | 0 | None | - | 0 | Human | 9.0 | pEC50 | = | 9.0 | Binding | ChEMBL | 426 | 11 | 2 | 6 | 4.1 | CCCCC(C)(C)[C@H](O)/C=C/[C@H]1CCC(=O)N1CCSc1nc(C(=O)O)cs1 | 10.1016/j.bmcl.2015.12.039 | |||
| 11502897 | 142793 | 0 | None | - | 1 | Human | 8.8 | pEC50 | = | 8.8 | Binding | ChEMBL | 431 | 11 | 2 | 5 | 4.8 | CCCCCC(O)c1ccc(N2C(=O)CC[C@@H]2COCc2ccc(C(=O)O)s2)cc1 | nan | |||
| CHEMBL3892847 | 142793 | 0 | None | - | 1 | Human | 8.8 | pEC50 | = | 8.8 | Binding | ChEMBL | 431 | 11 | 2 | 5 | 4.8 | CCCCCC(O)c1ccc(N2C(=O)CC[C@@H]2COCc2ccc(C(=O)O)s2)cc1 | nan | |||
| 11855865 | 153277 | 0 | None | - | 1 | Human | 8.8 | pEC50 | = | 8.8 | Binding | ChEMBL | 445 | 12 | 2 | 5 | 5.2 | CCCCCCC(O)c1ccc(N2C(=O)CC[C@@H]2COCc2ccc(C(=O)O)s2)cc1 | nan | |||
| CHEMBL3977724 | 153277 | 0 | None | - | 1 | Human | 8.8 | pEC50 | = | 8.8 | Binding | ChEMBL | 445 | 12 | 2 | 5 | 5.2 | CCCCCCC(O)c1ccc(N2C(=O)CC[C@@H]2COCc2ccc(C(=O)O)s2)cc1 | nan | |||
| 11855870 | 146280 | 0 | None | - | 1 | Human | 8.8 | pEC50 | = | 8.8 | Binding | ChEMBL | 427 | 11 | 1 | 4 | 5.7 | CCCCCC(=O)c1ccc(N2C(=O)CC[C@@H]2CCCc2ccc(C(=O)O)s2)cc1 | nan | |||
| CHEMBL3920756 | 146280 | 0 | None | - | 1 | Human | 8.8 | pEC50 | = | 8.8 | Binding | ChEMBL | 427 | 11 | 1 | 4 | 5.7 | CCCCCC(=O)c1ccc(N2C(=O)CC[C@@H]2CCCc2ccc(C(=O)O)s2)cc1 | nan | |||
| 1932 | 2942 | 5 | None | 1 | 6 | Human | 8.7 | pEC50 | = | 8.7 | Binding | ChEMBL | 410 | 12 | 3 | 3 | 4.8 | C=CCC1(CCC1)[C@H](C/C=C/[C@H]1[C@H](O)C[C@H]([C@@H]1C/C=C\CCCC(=O)O)Cl)O | 10.1021/jm401431x | |||
| 5311228 | 2942 | 5 | None | 1 | 6 | Human | 8.7 | pEC50 | = | 8.7 | Binding | ChEMBL | 410 | 12 | 3 | 3 | 4.8 | C=CCC1(CCC1)[C@H](C/C=C/[C@H]1[C@H](O)C[C@H]([C@@H]1C/C=C\CCCC(=O)O)Cl)O | 10.1021/jm401431x | |||
| CHEMBL3286796 | 2942 | 5 | None | 1 | 6 | Human | 8.7 | pEC50 | = | 8.7 | Binding | ChEMBL | 410 | 12 | 3 | 3 | 4.8 | C=CCC1(CCC1)[C@H](C/C=C/[C@H]1[C@H](O)C[C@H]([C@@H]1C/C=C\CCCC(=O)O)Cl)O | 10.1021/jm401431x | |||
| 90054482 | 143917 | 0 | None | - | 0 | Human | 6.0 | pEC50 | = | 6 | Binding | ChEMBL | 463 | 10 | 2 | 4 | 4.4 | C[C@@H](Cc1ccccc1)[C@H](O)/C=C/[C@H]1CC(F)(F)C(=O)N1CCCc1ccc(C(=O)O)s1 | nan | |||
| CHEMBL3902065 | 143917 | 0 | None | - | 0 | Human | 6.0 | pEC50 | = | 6 | Binding | ChEMBL | 463 | 10 | 2 | 4 | 4.4 | C[C@@H](Cc1ccccc1)[C@H](O)/C=C/[C@H]1CC(F)(F)C(=O)N1CCCc1ccc(C(=O)O)s1 | nan | |||
| 90054490 | 152190 | 0 | None | - | 0 | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 519 | 14 | 2 | 4 | 6.0 | C[C@@H](CCCCCc1ccccc1)[C@H](O)/C=C/[C@H]1CC(F)(F)C(=O)N1CCCc1ccc(C(=O)O)s1 | nan | |||
| CHEMBL3968443 | 152190 | 0 | None | - | 0 | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 519 | 14 | 2 | 4 | 6.0 | C[C@@H](CCCCCc1ccccc1)[C@H](O)/C=C/[C@H]1CC(F)(F)C(=O)N1CCCc1ccc(C(=O)O)s1 | nan | |||
| 127051063 | 140322 | 0 | None | - | 0 | Human | 8.0 | pEC50 | = | 8.0 | Binding | ChEMBL | 443 | 5 | 2 | 6 | 4.2 | O=C(O)c1csc([C@H]2CC[C@H]3[C@H](C[C@@H](O)[C@@H]3COc3ccccc3C(F)(F)F)O2)n1 | 10.1021/acsmedchemlett.5b00455 | |||
| CHEMBL3806284 | 140322 | 0 | None | - | 0 | Human | 8.0 | pEC50 | = | 8.0 | Binding | ChEMBL | 443 | 5 | 2 | 6 | 4.2 | O=C(O)c1csc([C@H]2CC[C@H]3[C@H](C[C@@H](O)[C@@H]3COc3ccccc3C(F)(F)F)O2)n1 | 10.1021/acsmedchemlett.5b00455 | |||
| 11855590 | 144374 | 0 | None | - | 0 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 387 | 8 | 2 | 5 | 3.4 | CC(C)C(O)c1ccc(N2C(=O)CC[C@@H]2COCc2ccc(C(=O)O)o2)cc1 | nan | |||
| CHEMBL3905811 | 144374 | 0 | None | - | 0 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 387 | 8 | 2 | 5 | 3.4 | CC(C)C(O)c1ccc(N2C(=O)CC[C@@H]2COCc2ccc(C(=O)O)o2)cc1 | nan | |||
| 90054450 | 143776 | 0 | None | - | 0 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 493 | 13 | 2 | 4 | 5.4 | C[C@@H](CCCc1ccccc1)[C@H](O)CC[C@H]1CC(F)(F)C(=O)N1CCCc1ccc(C(=O)O)s1 | nan | |||
| CHEMBL3900979 | 143776 | 0 | None | - | 0 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 493 | 13 | 2 | 4 | 5.4 | C[C@@H](CCCc1ccccc1)[C@H](O)CC[C@H]1CC(F)(F)C(=O)N1CCCc1ccc(C(=O)O)s1 | nan | |||
| 11855591 | 144436 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 435 | 9 | 2 | 5 | 4.0 | O=C(O)c1ccc(COC[C@H]2CCC(=O)N2c2ccc(C(O)Cc3ccccc3)cc2)o1 | nan | |||
| CHEMBL3906402 | 144436 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 435 | 9 | 2 | 5 | 4.0 | O=C(O)c1ccc(COC[C@H]2CCC(=O)N2c2ccc(C(O)Cc3ccccc3)cc2)o1 | nan | |||
| 72948479 | 153033 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 491 | 12 | 2 | 4 | 5.2 | C[C@@H](CCCc1ccccc1)[C@H](O)/C=C/[C@H]1CC(F)(F)C(=O)N1CCCc1ccc(C(=O)O)s1 | nan | |||
| CHEMBL3975743 | 153033 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 491 | 12 | 2 | 4 | 5.2 | C[C@@H](CCCc1ccccc1)[C@H](O)/C=C/[C@H]1CC(F)(F)C(=O)N1CCCc1ccc(C(=O)O)s1 | nan | |||
| 70667255 | 151474 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | 427 | 10 | 2 | 4 | 5.4 | CCCCCC(O)c1ccc(N2C(=O)CC[C@@H]2C=CCc2ccc(C(=O)O)s2)cc1 | nan | |||
| CHEMBL3962183 | 151474 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | 427 | 10 | 2 | 4 | 5.4 | CCCCCC(O)c1ccc(N2C(=O)CC[C@@H]2C=CCc2ccc(C(=O)O)s2)cc1 | nan | |||
| 90054430 | 149364 | 0 | None | - | 0 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 505 | 13 | 2 | 4 | 5.6 | C[C@@H](CCCCc1ccccc1)[C@H](O)/C=C/[C@H]1CC(F)(F)C(=O)N1CCCc1ccc(C(=O)O)s1 | nan | |||
| CHEMBL3945327 | 149364 | 0 | None | - | 0 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 505 | 13 | 2 | 4 | 5.6 | C[C@@H](CCCCc1ccccc1)[C@H](O)/C=C/[C@H]1CC(F)(F)C(=O)N1CCCc1ccc(C(=O)O)s1 | nan | |||
| 5283056 | 202860 | 34 | None | - | 0 | Human | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O | nan | |||
| CHEMBL62570 | 202860 | 34 | None | - | 0 | Human | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O | nan | |||
| 66858111 | 137451 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 488 | 11 | 2 | 7 | 4.5 | O=C(O)c1csc(SCCN2C(=O)OC[C@@H]2/C=C/[C@@H](O)C2(CCc3ccccc3)CCC2)n1 | 10.1016/j.bmcl.2015.12.039 | |||
| CHEMBL3753622 | 137451 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 488 | 11 | 2 | 7 | 4.5 | O=C(O)c1csc(SCCN2C(=O)OC[C@@H]2/C=C/[C@@H](O)C2(CCc3ccccc3)CCC2)n1 | 10.1016/j.bmcl.2015.12.039 | |||
| 72950425 | 143050 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 419 | 8 | 2 | 3 | 3.5 | CCC#CC[C@H](C)[C@H](O)/C=C/[C@H]1CC(F)(F)C(=O)N1CCc1ccc(C(=O)O)cc1 | nan | |||
| CHEMBL3895047 | 143050 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 419 | 8 | 2 | 3 | 3.5 | CCC#CC[C@H](C)[C@H](O)/C=C/[C@H]1CC(F)(F)C(=O)N1CCc1ccc(C(=O)O)cc1 | nan | |||
| 11328569 | 137468 | 0 | None | - | 0 | Human | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | 456 | 12 | 2 | 8 | 3.3 | COCCCC1([C@H](O)/C=C/[C@H]2COC(=O)N2CCSc2nc(C(=O)O)cs2)CCC1 | 10.1016/j.bmcl.2015.12.039 | |||
| CHEMBL3753788 | 137468 | 0 | None | - | 0 | Human | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | 456 | 12 | 2 | 8 | 3.3 | COCCCC1([C@H](O)/C=C/[C@H]2COC(=O)N2CCSc2nc(C(=O)O)cs2)CCC1 | 10.1016/j.bmcl.2015.12.039 | |||
| 11855324 | 142605 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 371 | 6 | 1 | 4 | 4.0 | CC(C)(C)c1ccc(N2C(=O)CC[C@@H]2COCc2ccc(C(=O)O)o2)cc1 | nan | |||
| CHEMBL3891401 | 142605 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 371 | 6 | 1 | 4 | 4.0 | CC(C)(C)c1ccc(N2C(=O)CC[C@@H]2COCc2ccc(C(=O)O)o2)cc1 | nan | |||
| 72950929 | 146582 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 395 | 10 | 2 | 3 | 3.7 | CCCCC[C@H](O)/C=C/[C@H]1CC(F)(F)C(=O)N1CCc1ccc(C(=O)O)cc1 | nan | |||
| CHEMBL3923027 | 146582 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 395 | 10 | 2 | 3 | 3.7 | CCCCC[C@H](O)/C=C/[C@H]1CC(F)(F)C(=O)N1CCc1ccc(C(=O)O)cc1 | nan | |||
| 1883 | 3082 | 75 | None | -6 | 24 | Human | 8.7 | pEC50 | = | 8.7 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1021/jm401431x | |||
| 1916 | 3082 | 75 | None | -6 | 24 | Human | 8.7 | pEC50 | = | 8.7 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1021/jm401431x | |||
| 5280360 | 3082 | 75 | None | -6 | 24 | Human | 8.7 | pEC50 | = | 8.7 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1021/jm401431x | |||
| 913 | 3082 | 75 | None | -6 | 24 | Human | 8.7 | pEC50 | = | 8.7 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1021/jm401431x | |||
| CHEMBL548 | 3082 | 75 | None | -6 | 24 | Human | 8.7 | pEC50 | = | 8.7 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1021/jm401431x | |||
| DB00917 | 3082 | 75 | None | -6 | 24 | Human | 8.7 | pEC50 | = | 8.7 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1021/jm401431x | |||
| 126495400 | 139321 | 0 | None | - | 0 | Human | 8.6 | pEC50 | = | 8.6 | Binding | ChEMBL | 477 | 5 | 2 | 6 | 5.1 | O=C(O)c1csc([C@H]2CC[C@H]3[C@H](C[C@@H](O)[C@@H]3COc3ccc(Cl)c(Cl)c3Cl)O2)n1 | 10.1016/j.bmcl.2016.03.110 | |||
| CHEMBL3792632 | 139321 | 0 | None | - | 0 | Human | 8.6 | pEC50 | = | 8.6 | Binding | ChEMBL | 477 | 5 | 2 | 6 | 5.1 | O=C(O)c1csc([C@H]2CC[C@H]3[C@H](C[C@@H](O)[C@@H]3COc3ccc(Cl)c(Cl)c3Cl)O2)n1 | 10.1016/j.bmcl.2016.03.110 | |||
| 127026955 | 139450 | 0 | None | - | 0 | Human | 8.6 | pEC50 | = | 8.6 | Binding | ChEMBL | 437 | 5 | 2 | 6 | 4.4 | Cc1cc(OC[C@H]2[C@H](O)C[C@@H]3O[C@@H](c4nc(C(=O)O)cs4)CC[C@@H]32)cc(C)c1Cl | 10.1016/j.bmcl.2016.03.110 | |||
| CHEMBL3794016 | 139450 | 0 | None | - | 0 | Human | 8.6 | pEC50 | = | 8.6 | Binding | ChEMBL | 437 | 5 | 2 | 6 | 4.4 | Cc1cc(OC[C@H]2[C@H](O)C[C@@H]3O[C@@H](c4nc(C(=O)O)cs4)CC[C@@H]32)cc(C)c1Cl | 10.1016/j.bmcl.2016.03.110 | |||
| 18376177 | 3753 | 50 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Binding | ChEMBL | 478 | 10 | 1 | 7 | 3.1 | OC(=O)COc1cccc(c1)CN(S(=O)(=O)c1cccnc1)Cc1ccc(cc1)n1cccn1 | 10.1021/jm401431x | |||
| 5816 | 3753 | 50 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Binding | ChEMBL | 478 | 10 | 1 | 7 | 3.1 | OC(=O)COc1cccc(c1)CN(S(=O)(=O)c1cccnc1)Cc1ccc(cc1)n1cccn1 | 10.1021/jm401431x | |||
| CHEMBL2107783 | 3753 | 50 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Binding | ChEMBL | 478 | 10 | 1 | 7 | 3.1 | OC(=O)COc1cccc(c1)CN(S(=O)(=O)c1cccnc1)Cc1ccc(cc1)n1cccn1 | 10.1021/jm401431x | |||
| DB12623 | 3753 | 50 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Binding | ChEMBL | 478 | 10 | 1 | 7 | 3.1 | OC(=O)COc1cccc(c1)CN(S(=O)(=O)c1cccnc1)Cc1ccc(cc1)n1cccn1 | 10.1021/jm401431x | |||
| 11294085 | 137252 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Binding | ChEMBL | 458 | 12 | 2 | 7 | 4.0 | O=C(O)c1csc(SCCN2C(=O)OC[C@@H]2/C=C/[C@@H](O)C2(CCCCF)CCC2)n1 | 10.1016/j.bmcl.2015.12.039 | |||
| CHEMBL3751951 | 137252 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Binding | ChEMBL | 458 | 12 | 2 | 7 | 4.0 | O=C(O)c1csc(SCCN2C(=O)OC[C@@H]2/C=C/[C@@H](O)C2(CCCCF)CCC2)n1 | 10.1016/j.bmcl.2015.12.039 | |||
| 59554822 | 137394 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Binding | ChEMBL | 440 | 11 | 2 | 7 | 4.0 | CCCCC1([C@H](O)/C=C/[C@H]2COC(=O)N2CCSc2nc(C(=O)O)cs2)CCC1 | 10.1016/j.bmcl.2015.12.039 | |||
| CHEMBL3753221 | 137394 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Binding | ChEMBL | 440 | 11 | 2 | 7 | 4.0 | CCCCC1([C@H](O)/C=C/[C@H]2COC(=O)N2CCSc2nc(C(=O)O)cs2)CCC1 | 10.1016/j.bmcl.2015.12.039 | |||
| 127051062 | 140274 | 0 | None | - | 0 | Human | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 409 | 5 | 2 | 6 | 3.8 | O=C(O)c1csc([C@H]2CC[C@H]3[C@H](C[C@@H](O)[C@@H]3COc3ccccc3Cl)O2)n1 | 10.1021/acsmedchemlett.5b00455 | |||
| CHEMBL3805767 | 140274 | 0 | None | - | 0 | Human | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 409 | 5 | 2 | 6 | 3.8 | O=C(O)c1csc([C@H]2CC[C@H]3[C@H](C[C@@H](O)[C@@H]3COc3ccccc3Cl)O2)n1 | 10.1021/acsmedchemlett.5b00455 | |||
| 72950089 | 150591 | 0 | None | -1621 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 375 | 13 | 2 | 3 | 3.8 | CCCCC[C@H](O)/C=C/[C@H]1CC(F)(F)C(=O)N1CCCCCCC(=O)O | nan | |||
| CHEMBL3955128 | 150591 | 0 | None | -1621 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 375 | 13 | 2 | 3 | 3.8 | CCCCC[C@H](O)/C=C/[C@H]1CC(F)(F)C(=O)N1CCCCCCC(=O)O | nan | |||
| 66857670 | 137401 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 436 | 9 | 2 | 7 | 3.3 | CC#CCC1([C@H](O)/C=C/[C@H]2COC(=O)N2CCSc2nc(C(=O)O)cs2)CCC1 | 10.1016/j.bmcl.2015.12.039 | |||
| CHEMBL3753268 | 137401 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 436 | 9 | 2 | 7 | 3.3 | CC#CCC1([C@H](O)/C=C/[C@H]2COC(=O)N2CCSc2nc(C(=O)O)cs2)CCC1 | 10.1016/j.bmcl.2015.12.039 | |||
| 57529188 | 147195 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 415 | 11 | 2 | 5 | 4.3 | CCCCCC(O)c1ccc(N2C(=O)CC[C@@H]2COCc2ccc(C(=O)O)o2)cc1 | nan | |||
| CHEMBL3928130 | 147195 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 415 | 11 | 2 | 5 | 4.3 | CCCCCC(O)c1ccc(N2C(=O)CC[C@@H]2COCc2ccc(C(=O)O)o2)cc1 | nan | |||
| 11855866 | 144602 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 403 | 9 | 2 | 5 | 4.0 | CCCC(O)c1ccc(N2C(=O)CC[C@@H]2COCc2ccc(C(=O)O)s2)cc1 | nan | |||
| CHEMBL3907809 | 144602 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 403 | 9 | 2 | 5 | 4.0 | CCCC(O)c1ccc(N2C(=O)CC[C@@H]2COCc2ccc(C(=O)O)s2)cc1 | nan | |||
| 11855325 | 144691 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 387 | 6 | 1 | 4 | 4.5 | CC(C)(C)c1ccc(N2C(=O)CC[C@@H]2COCc2ccc(C(=O)O)s2)cc1 | nan | |||
| CHEMBL3908484 | 144691 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 387 | 6 | 1 | 4 | 4.5 | CC(C)(C)c1ccc(N2C(=O)CC[C@@H]2COCc2ccc(C(=O)O)s2)cc1 | nan | |||
| 11855324 | 142605 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 371 | 6 | 1 | 4 | 4.0 | CC(C)(C)c1ccc(N2C(=O)CC[C@@H]2COCc2ccc(C(=O)O)o2)cc1 | nan | |||
| CHEMBL3891401 | 142605 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 371 | 6 | 1 | 4 | 4.0 | CC(C)(C)c1ccc(N2C(=O)CC[C@@H]2COCc2ccc(C(=O)O)o2)cc1 | nan | |||
| 127026652 | 137482 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 456 | 12 | 2 | 8 | 3.3 | CCOCCC1([C@H](O)/C=C/[C@H]2COC(=O)N2CCSc2nc(C(=O)O)cs2)CCC1 | 10.1016/j.bmcl.2015.12.039 | |||
| CHEMBL3753898 | 137482 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 456 | 12 | 2 | 8 | 3.3 | CCOCCC1([C@H](O)/C=C/[C@H]2COC(=O)N2CCSc2nc(C(=O)O)cs2)CCC1 | 10.1016/j.bmcl.2015.12.039 | |||
| 127026956 | 139426 | 0 | None | - | 0 | Human | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | 477 | 5 | 2 | 6 | 5.1 | O=C(O)c1csc([C@H]2CC[C@H]3[C@H](C[C@@H](O)[C@@H]3COc3cc(Cl)c(Cl)cc3Cl)O2)n1 | 10.1016/j.bmcl.2016.03.110 | |||
| CHEMBL3793862 | 139426 | 0 | None | - | 0 | Human | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | 477 | 5 | 2 | 6 | 5.1 | O=C(O)c1csc([C@H]2CC[C@H]3[C@H](C[C@@H](O)[C@@H]3COc3cc(Cl)c(Cl)cc3Cl)O2)n1 | 10.1016/j.bmcl.2016.03.110 | |||
| 9807448 | 203172 | 0 | None | 1 | 4 | Human | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | 398 | 11 | 3 | 3 | 4.7 | CCC1([C@@H](O)C/C=C/[C@H]2[C@H](O)C[C@@H](Cl)[C@@H]2C/C=C\CCCC(=O)O)CCC1 | 10.1021/jm401431x | |||
| CHEMBL64246 | 203172 | 0 | None | 1 | 4 | Human | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | 398 | 11 | 3 | 3 | 4.7 | CCC1([C@@H](O)C/C=C/[C@H]2[C@H](O)C[C@@H](Cl)[C@@H]2C/C=C\CCCC(=O)O)CCC1 | 10.1021/jm401431x | |||
| 11855867 | 145983 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 389 | 8 | 2 | 5 | 3.6 | CCC(O)c1ccc(N2C(=O)CC[C@@H]2COCc2ccc(C(=O)O)s2)cc1 | nan | |||
| CHEMBL3918349 | 145983 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 389 | 8 | 2 | 5 | 3.6 | CCC(O)c1ccc(N2C(=O)CC[C@@H]2COCc2ccc(C(=O)O)s2)cc1 | nan | |||
| 1892 | 747 | 20 | None | -2 | 9 | Human | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 394 | 13 | 3 | 4 | 4.3 | CCCC1(CCC1)[C@H](C/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | 10.1021/jm401431x | |||
| 25886893 | 747 | 20 | None | -2 | 9 | Human | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 394 | 13 | 3 | 4 | 4.3 | CCCC1(CCC1)[C@H](C/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | 10.1021/jm401431x | |||
| CHEMBL1628262 | 747 | 20 | None | -2 | 9 | Human | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 394 | 13 | 3 | 4 | 4.3 | CCCC1(CCC1)[C@H](C/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | 10.1021/jm401431x | |||
| 72948663 | 145734 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 415 | 11 | 2 | 4 | 4.1 | CCCCC[C@H](O)/C=C/[C@H]1CC(F)(F)C(=O)N1CCCc1ccc(C(=O)O)s1 | nan | |||
| CHEMBL3916499 | 145734 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 415 | 11 | 2 | 4 | 4.1 | CCCCC[C@H](O)/C=C/[C@H]1CC(F)(F)C(=O)N1CCCc1ccc(C(=O)O)s1 | nan | |||
| 5311035 | 97803 | 29 | None | -4 | 9 | Human | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 408 | 13 | 2 | 5 | 4.3 | CCCC1([C@H](O)C/C=C/[C@H]2[C@H](O)CC(=O)[C@@H]2CCCCCCC(=O)OC)CCC1 | 10.1021/jm401431x | |||
| CHEMBL271896 | 97803 | 29 | None | -4 | 9 | Human | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 408 | 13 | 2 | 5 | 4.3 | CCCC1([C@H](O)C/C=C/[C@H]2[C@H](O)CC(=O)[C@@H]2CCCCCCC(=O)OC)CCC1 | 10.1021/jm401431x | |||
| 1883 | 3082 | 75 | None | -6 | 24 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1021/acsmedchemlett.5b00455 | |||
| 1916 | 3082 | 75 | None | -6 | 24 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1021/acsmedchemlett.5b00455 | |||
| 5280360 | 3082 | 75 | None | -6 | 24 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1021/acsmedchemlett.5b00455 | |||
| 913 | 3082 | 75 | None | -6 | 24 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1021/acsmedchemlett.5b00455 | |||
| CHEMBL548 | 3082 | 75 | None | -6 | 24 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1021/acsmedchemlett.5b00455 | |||
| DB00917 | 3082 | 75 | None | -6 | 24 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1021/acsmedchemlett.5b00455 | |||
| 66857738 | 137300 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 468 | 10 | 2 | 7 | 4.7 | CC(C)(C)CCC1([C@H](O)/C=C/[C@H]2COC(=O)N2CCSc2nc(C(=O)O)cs2)CCC1 | 10.1016/j.bmcl.2015.12.039 | |||
| CHEMBL3752435 | 137300 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 468 | 10 | 2 | 7 | 4.7 | CC(C)(C)CCC1([C@H](O)/C=C/[C@H]2COC(=O)N2CCSc2nc(C(=O)O)cs2)CCC1 | 10.1016/j.bmcl.2015.12.039 | |||
| 127050451 | 140221 | 0 | None | - | 0 | Human | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 459 | 6 | 2 | 7 | 4.0 | O=C(O)c1csc([C@H]2CC[C@H]3[C@H](C[C@@H](O)[C@@H]3COc3ccc(OC(F)(F)F)cc3)O2)n1 | 10.1021/acsmedchemlett.5b00455 | |||
| CHEMBL3805122 | 140221 | 0 | None | - | 0 | Human | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 459 | 6 | 2 | 7 | 4.0 | O=C(O)c1csc([C@H]2CC[C@H]3[C@H](C[C@@H](O)[C@@H]3COc3ccc(OC(F)(F)F)cc3)O2)n1 | 10.1021/acsmedchemlett.5b00455 | |||
| 1929 | 1605 | 55 | None | -11 | 2 | Human | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 468 | 9 | 1 | 5 | 4.2 | OC(=O)COc1cccc(c1)CN(S(=O)(=O)c1cccnc1)Cc1ccc(cc1)C(C)(C)C | 10.1021/jm401431x | |||
| 9890801 | 1605 | 55 | None | -11 | 2 | Human | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 468 | 9 | 1 | 5 | 4.2 | OC(=O)COc1cccc(c1)CN(S(=O)(=O)c1cccnc1)Cc1ccc(cc1)C(C)(C)C | 10.1021/jm401431x | |||
| CHEMBL563646 | 1605 | 55 | None | -11 | 2 | Human | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 468 | 9 | 1 | 5 | 4.2 | OC(=O)COc1cccc(c1)CN(S(=O)(=O)c1cccnc1)Cc1ccc(cc1)C(C)(C)C | 10.1021/jm401431x | |||
| DB12022 | 1605 | 55 | None | -11 | 2 | Human | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 468 | 9 | 1 | 5 | 4.2 | OC(=O)COc1cccc(c1)CN(S(=O)(=O)c1cccnc1)Cc1ccc(cc1)C(C)(C)C | 10.1021/jm401431x | |||
| 11362836 | 137296 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Binding | ChEMBL | 446 | 12 | 2 | 7 | 3.8 | CC(C)(CCCCF)[C@H](O)/C=C/[C@H]1COC(=O)N1CCSc1nc(C(=O)O)cs1 | 10.1016/j.bmcl.2015.12.039 | |||
| CHEMBL3752406 | 137296 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Binding | ChEMBL | 446 | 12 | 2 | 7 | 3.8 | CC(C)(CCCCF)[C@H](O)/C=C/[C@H]1COC(=O)N1CCSc1nc(C(=O)O)cs1 | 10.1016/j.bmcl.2015.12.039 | |||
| 11855325 | 144691 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 387 | 6 | 1 | 4 | 4.5 | CC(C)(C)c1ccc(N2C(=O)CC[C@@H]2COCc2ccc(C(=O)O)s2)cc1 | nan | |||
| CHEMBL3908484 | 144691 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 387 | 6 | 1 | 4 | 4.5 | CC(C)(C)c1ccc(N2C(=O)CC[C@@H]2COCc2ccc(C(=O)O)s2)cc1 | nan | |||
| 11855593 | 146834 | 0 | None | - | 0 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 425 | 11 | 2 | 4 | 4.7 | CCCCCC(O)c1ccc(N2C(=O)CC[C@@H]2COCc2cccc(C(=O)O)c2)cc1 | nan | |||
| CHEMBL3924987 | 146834 | 0 | None | - | 0 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 425 | 11 | 2 | 4 | 4.7 | CCCCCC(O)c1ccc(N2C(=O)CC[C@@H]2COCc2cccc(C(=O)O)c2)cc1 | nan | |||
| 11855588 | 147357 | 0 | None | - | 0 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 345 | 8 | 1 | 2 | 4.9 | CC(C)(C)c1ccc(N2C(=O)CC[C@@H]2CCCCCCC(=O)O)cc1 | nan | |||
| CHEMBL3929446 | 147357 | 0 | None | - | 0 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 345 | 8 | 1 | 2 | 4.9 | CC(C)(C)c1ccc(N2C(=O)CC[C@@H]2CCCCCCC(=O)O)cc1 | nan | |||
| 5283086 | 203310 | 24 | None | - | 5 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O | nan | |||
| CHEMBL64804 | 203310 | 24 | None | - | 5 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O | nan | |||
| 11156167 | 137520 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 494 | 11 | 2 | 7 | 5.2 | O=C(O)c1csc(SCCN2C(=O)OC[C@@H]2/C=C/[C@@H](O)C2(CCC3CCCCC3)CCC2)n1 | 10.1016/j.bmcl.2015.12.039 | |||
| CHEMBL3754197 | 137520 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 494 | 11 | 2 | 7 | 5.2 | O=C(O)c1csc(SCCN2C(=O)OC[C@@H]2/C=C/[C@@H](O)C2(CCC3CCCCC3)CCC2)n1 | 10.1016/j.bmcl.2015.12.039 | |||
| 90054537 | 148403 | 0 | None | - | 0 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 491 | 12 | 2 | 4 | 5.2 | C[C@@H](CCCc1ccccc1)[C@@H](O)/C=C/[C@H]1CC(F)(F)C(=O)N1CCCc1ccc(C(=O)O)s1 | nan | |||
| CHEMBL3937596 | 148403 | 0 | None | - | 0 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 491 | 12 | 2 | 4 | 5.2 | C[C@@H](CCCc1ccccc1)[C@@H](O)/C=C/[C@H]1CC(F)(F)C(=O)N1CCCc1ccc(C(=O)O)s1 | nan | |||
| 127051656 | 140294 | 0 | None | - | 0 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 459 | 6 | 2 | 7 | 4.0 | O=C(O)c1csc([C@H]2CC[C@H]3[C@H](C[C@@H](O)[C@@H]3COc3cccc(OC(F)(F)F)c3)O2)n1 | 10.1021/acsmedchemlett.5b00455 | |||
| CHEMBL3805981 | 140294 | 0 | None | - | 0 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 459 | 6 | 2 | 7 | 4.0 | O=C(O)c1csc([C@H]2CC[C@H]3[C@H](C[C@@H](O)[C@@H]3COc3cccc(OC(F)(F)F)c3)O2)n1 | 10.1021/acsmedchemlett.5b00455 | |||
| 59554824 | 137475 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 428 | 11 | 2 | 7 | 3.9 | CCCCC(C)(C)[C@H](O)/C=C/[C@H]1COC(=O)N1CCSc1nc(C(=O)O)cs1 | 10.1016/j.bmcl.2015.12.039 | |||
| CHEMBL3753853 | 137475 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 428 | 11 | 2 | 7 | 3.9 | CCCCC(C)(C)[C@H](O)/C=C/[C@H]1COC(=O)N1CCSc1nc(C(=O)O)cs1 | 10.1016/j.bmcl.2015.12.039 | |||
| 90054519 | 151986 | 0 | None | - | 0 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 477 | 11 | 2 | 4 | 4.8 | C[C@@H](CCc1ccccc1)[C@@H](O)/C=C/[C@H]1CC(F)(F)C(=O)N1CCCc1ccc(C(=O)O)s1 | nan | |||
| CHEMBL3966743 | 151986 | 0 | None | - | 0 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 477 | 11 | 2 | 4 | 4.8 | C[C@@H](CCc1ccccc1)[C@@H](O)/C=C/[C@H]1CC(F)(F)C(=O)N1CCCc1ccc(C(=O)O)s1 | nan | |||
| 72948294 | 149957 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 439 | 9 | 2 | 4 | 4.0 | CCC#CC[C@H](C)[C@H](O)/C=C/[C@H]1CC(F)(F)C(=O)N1CCCc1ccc(C(=O)O)s1 | nan | |||
| CHEMBL3949856 | 149957 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 439 | 9 | 2 | 4 | 4.0 | CCC#CC[C@H](C)[C@H](O)/C=C/[C@H]1CC(F)(F)C(=O)N1CCCc1ccc(C(=O)O)s1 | nan | |||
| 90054392 | 142918 | 0 | None | - | 0 | Human | 4.1 | pEC50 | = | 4.1 | Binding | ChEMBL | 519 | 14 | 2 | 4 | 6.0 | C[C@@H](CCCCCc1ccccc1)[C@@H](O)/C=C/[C@H]1CC(F)(F)C(=O)N1CCCc1ccc(C(=O)O)s1 | nan | |||
| CHEMBL3893847 | 142918 | 0 | None | - | 0 | Human | 4.1 | pEC50 | = | 4.1 | Binding | ChEMBL | 519 | 14 | 2 | 4 | 6.0 | C[C@@H](CCCCCc1ccccc1)[C@@H](O)/C=C/[C@H]1CC(F)(F)C(=O)N1CCCc1ccc(C(=O)O)s1 | nan | |||
| 11855871 | 146408 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 429 | 11 | 1 | 5 | 4.9 | CCCCCC(=O)c1ccc(N2C(=O)CC[C@@H]2COCc2ccc(C(=O)O)s2)cc1 | nan | |||
| CHEMBL3921784 | 146408 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 429 | 11 | 1 | 5 | 4.9 | CCCCCC(=O)c1ccc(N2C(=O)CC[C@@H]2COCc2ccc(C(=O)O)s2)cc1 | nan | |||
| 11855594 | 152980 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 417 | 10 | 2 | 5 | 4.4 | CCCCC(O)c1ccc(N2C(=O)CC[C@@H]2COCc2ccc(C(=O)O)s2)cc1 | nan | |||
| CHEMBL3975238 | 152980 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 417 | 10 | 2 | 5 | 4.4 | CCCCC(O)c1ccc(N2C(=O)CC[C@@H]2COCc2ccc(C(=O)O)s2)cc1 | nan | |||
| 127027874 | 139363 | 0 | None | - | 0 | Human | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 443 | 5 | 2 | 6 | 4.2 | O=C(O)c1csc([C@H]2CC[C@H]3[C@H](C[C@@H](O)[C@@H]3COc3cccc(C(F)(F)F)c3)O2)n1 | 10.1021/acsmedchemlett.5b00455 | |||
| CHEMBL3793045 | 139363 | 0 | None | - | 0 | Human | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 443 | 5 | 2 | 6 | 4.2 | O=C(O)c1csc([C@H]2CC[C@H]3[C@H](C[C@@H](O)[C@@H]3COc3cccc(C(F)(F)F)c3)O2)n1 | 10.1021/acsmedchemlett.5b00455 | |||
| 127027874 | 139363 | 0 | None | - | 0 | Human | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 443 | 5 | 2 | 6 | 4.2 | O=C(O)c1csc([C@H]2CC[C@H]3[C@H](C[C@@H](O)[C@@H]3COc3cccc(C(F)(F)F)c3)O2)n1 | 10.1016/j.bmcl.2016.03.110 | |||
| CHEMBL3793045 | 139363 | 0 | None | - | 0 | Human | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 443 | 5 | 2 | 6 | 4.2 | O=C(O)c1csc([C@H]2CC[C@H]3[C@H](C[C@@H](O)[C@@H]3COc3cccc(C(F)(F)F)c3)O2)n1 | 10.1016/j.bmcl.2016.03.110 | |||
| 10339756 | 143085 | 0 | None | - | 0 | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 380 | 12 | 3 | 4 | 3.9 | CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C(C)(C)C(=O)[C@@H]1C/C=C\CCCC(=O)O | nan | |||
| CHEMBL3895324 | 143085 | 0 | None | - | 0 | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 380 | 12 | 3 | 4 | 3.9 | CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C(C)(C)C(=O)[C@@H]1C/C=C\CCCC(=O)O | nan | |||
| 118689427 | 151852 | 0 | None | - | 0 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 519 | 10 | 2 | 6 | 3.8 | O=C(O)c1ccc(CCCN2[C@@H](/C=C/C(O)Cc3cccc(OC(F)(F)F)c3)CCS2(=O)=O)s1 | nan | |||
| CHEMBL3965497 | 151852 | 0 | None | - | 0 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 519 | 10 | 2 | 6 | 3.8 | O=C(O)c1ccc(CCCN2[C@@H](/C=C/C(O)Cc3cccc(OC(F)(F)F)c3)CCS2(=O)=O)s1 | nan | |||
| 56927669 | 121645 | 0 | None | - | 0 | Mouse | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 423 | 3 | 1 | 4 | 4.5 | O=c1cc(CN2CCOc3c(Cl)cc(-n4ccc5cc(F)ccc54)cc3C2)cc[nH]1 | 10.1021/acs.jmedchem.5b00567 | |||
| CHEMBL3586360 | 121645 | 0 | None | - | 0 | Mouse | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 423 | 3 | 1 | 4 | 4.5 | O=c1cc(CN2CCOc3c(Cl)cc(-n4ccc5cc(F)ccc54)cc3C2)cc[nH]1 | 10.1021/acs.jmedchem.5b00567 | |||
| 56927669 | 121645 | 0 | None | - | 0 | Rat | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 423 | 3 | 1 | 4 | 4.5 | O=c1cc(CN2CCOc3c(Cl)cc(-n4ccc5cc(F)ccc54)cc3C2)cc[nH]1 | 10.1021/acs.jmedchem.5b00567 | |||
| CHEMBL3586360 | 121645 | 0 | None | - | 0 | Rat | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 423 | 3 | 1 | 4 | 4.5 | O=c1cc(CN2CCOc3c(Cl)cc(-n4ccc5cc(F)ccc54)cc3C2)cc[nH]1 | 10.1021/acs.jmedchem.5b00567 | |||
| 10315 | 2926 | 28 | None | - | 1 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 478 | 10 | 2 | 8 | 2.6 | OC(=O)CNc1cccc(n1)CN(S(=O)(=O)c1cccnc1)Cc1ccc(cc1)n1cccn1 | 10.1021/acs.jmedchem.8b00808 | |||
| 44230575 | 2926 | 28 | None | - | 1 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 478 | 10 | 2 | 8 | 2.6 | OC(=O)CNc1cccc(n1)CN(S(=O)(=O)c1cccnc1)Cc1ccc(cc1)n1cccn1 | 10.1021/acs.jmedchem.8b00808 | |||
| CHEMBL3707245 | 2926 | 28 | None | - | 1 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 478 | 10 | 2 | 8 | 2.6 | OC(=O)CNc1cccc(n1)CN(S(=O)(=O)c1cccnc1)Cc1ccc(cc1)n1cccn1 | 10.1021/acs.jmedchem.8b00808 | |||
| 122180251 | 121603 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 432 | 5 | 0 | 6 | 5.4 | COc1ccc(CN2CCOc3c(cc(-c4csc5ccccc45)cc3OC)C2)cn1 | 10.1021/acs.jmedchem.5b00567 | |||
| CHEMBL3586314 | 121603 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 432 | 5 | 0 | 6 | 5.4 | COc1ccc(CN2CCOc3c(cc(-c4csc5ccccc45)cc3OC)C2)cn1 | 10.1021/acs.jmedchem.5b00567 | |||
| 122180259 | 121611 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 479 | 5 | 0 | 6 | 5.4 | COc1cc(-c2csc3ccccc23)cc2c1OCCN(Cc1ccc(S(C)(=O)=O)cc1)C2 | 10.1021/acs.jmedchem.5b00567 | |||
| CHEMBL3586322 | 121611 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 479 | 5 | 0 | 6 | 5.4 | COc1cc(-c2csc3ccccc23)cc2c1OCCN(Cc1ccc(S(C)(=O)=O)cc1)C2 | 10.1021/acs.jmedchem.5b00567 | |||
| 122180261 | 121613 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 426 | 4 | 0 | 5 | 5.8 | COc1cc(-c2csc3ccccc23)cc2c1OCCN(Cc1cccc(C#N)c1)C2 | 10.1021/acs.jmedchem.5b00567 | |||
| CHEMBL3586324 | 121613 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 426 | 4 | 0 | 5 | 5.8 | COc1cc(-c2csc3ccccc23)cc2c1OCCN(Cc1cccc(C#N)c1)C2 | 10.1021/acs.jmedchem.5b00567 | |||
| 122180282 | 121631 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 4.3 | COc1cc(-n2ccc3cc(C#N)ccc32)cc2c1OCCN(Cc1cccnc1)C2 | 10.1021/acs.jmedchem.5b00567 | |||
| CHEMBL3586345 | 121631 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 4.3 | COc1cc(-n2ccc3cc(C#N)ccc32)cc2c1OCCN(Cc1cccnc1)C2 | 10.1021/acs.jmedchem.5b00567 | |||
| 30897313 | 121598 | 0 | None | - | 0 | Mouse | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 402 | 4 | 0 | 5 | 5.4 | COc1cc(-c2csc3ccccc23)cc2c1OCCN(Cc1cccnc1)C2 | 10.1021/acs.jmedchem.5b00567 | |||
| CHEMBL3586309 | 121598 | 0 | None | - | 0 | Mouse | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 402 | 4 | 0 | 5 | 5.4 | COc1cc(-c2csc3ccccc23)cc2c1OCCN(Cc1cccnc1)C2 | 10.1021/acs.jmedchem.5b00567 | |||
| 30897313 | 121598 | 0 | None | - | 0 | Rat | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 402 | 4 | 0 | 5 | 5.4 | COc1cc(-c2csc3ccccc23)cc2c1OCCN(Cc1cccnc1)C2 | 10.1021/acs.jmedchem.5b00567 | |||
| CHEMBL3586309 | 121598 | 0 | None | - | 0 | Rat | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 402 | 4 | 0 | 5 | 5.4 | COc1cc(-c2csc3ccccc23)cc2c1OCCN(Cc1cccnc1)C2 | 10.1021/acs.jmedchem.5b00567 | |||
| 122180253 | 121605 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 401 | 4 | 0 | 4 | 6.0 | COc1cc(-c2csc3ccccc23)cc2c1OCCN(Cc1ccccc1)C2 | 10.1021/acs.jmedchem.5b00567 | |||
| CHEMBL3586316 | 121605 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 401 | 4 | 0 | 4 | 6.0 | COc1cc(-c2csc3ccccc23)cc2c1OCCN(Cc1ccccc1)C2 | 10.1021/acs.jmedchem.5b00567 | |||
| 122180271 | 121620 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 380 | 4 | 0 | 4 | 4.8 | COc1cc(-c2ccc(Cl)cc2)cc2c1OCCN(Cc1cccnc1)C2 | 10.1021/acs.jmedchem.5b00567 | |||
| CHEMBL3586334 | 121620 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 380 | 4 | 0 | 4 | 4.8 | COc1cc(-c2ccc(Cl)cc2)cc2c1OCCN(Cc1cccnc1)C2 | 10.1021/acs.jmedchem.5b00567 | |||
| 44564990 | 192650 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 538 | 6 | 1 | 5 | 5.7 | Cn1cc(/C=C/C(=O)NS(=O)(=O)c2cc(F)c(F)cc2F)c2c(Oc3ccc(Cl)c(F)c3)cccc21 | 10.1016/j.bmcl.2008.12.112 | |||
| CHEMBL521777 | 192650 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 538 | 6 | 1 | 5 | 5.7 | Cn1cc(/C=C/C(=O)NS(=O)(=O)c2cc(F)c(F)cc2F)c2c(Oc3ccc(Cl)c(F)c3)cccc21 | 10.1016/j.bmcl.2008.12.112 | |||
| 122180276 | 121625 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 399 | 4 | 0 | 5 | 4.6 | COc1cc(-c2cn(C)c3ccccc23)cc2c1OCCN(Cc1cccnc1)C2 | 10.1021/acs.jmedchem.5b00567 | |||
| CHEMBL3586339 | 121625 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 399 | 4 | 0 | 5 | 4.6 | COc1cc(-c2cn(C)c3ccccc23)cc2c1OCCN(Cc1cccnc1)C2 | 10.1021/acs.jmedchem.5b00567 | |||
| 122180285 | 121634 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 372 | 3 | 0 | 4 | 5.4 | c1cncc(CN2CCOc3ccc(-c4csc5ccccc45)cc3C2)c1 | 10.1021/acs.jmedchem.5b00567 | |||
| CHEMBL3586348 | 121634 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 372 | 3 | 0 | 4 | 5.4 | c1cncc(CN2CCOc3ccc(-c4csc5ccccc45)cc3C2)c1 | 10.1021/acs.jmedchem.5b00567 | |||
| 44409693 | 166098 | 0 | None | - | 0 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 429 | 11 | 2 | 4 | 4.3 | CCc1ccc(CC(O)CC[C@H]2CCC(=O)N2CCCc2ccc(C(=O)O)s2)cc1 | 10.1016/j.bmcl.2006.01.018 | |||
| CHEMBL425950 | 166098 | 0 | None | - | 0 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 429 | 11 | 2 | 4 | 4.3 | CCc1ccc(CC(O)CC[C@H]2CCC(=O)N2CCCc2ccc(C(=O)O)s2)cc1 | 10.1016/j.bmcl.2006.01.018 | |||
| 122180269 | 121618 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 380 | 4 | 0 | 4 | 4.8 | COc1cc(-c2ccccc2Cl)cc2c1OCCN(Cc1cccnc1)C2 | 10.1021/acs.jmedchem.5b00567 | |||
| CHEMBL3586332 | 121618 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 380 | 4 | 0 | 4 | 4.8 | COc1cc(-c2ccccc2Cl)cc2c1OCCN(Cc1cccnc1)C2 | 10.1021/acs.jmedchem.5b00567 | |||
| 44409907 | 77050 | 0 | None | - | 0 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 419 | 10 | 2 | 4 | 3.9 | O=C(O)c1ccc(CCCN2C(=O)CC[C@@H]2CC[C@@H](O)Cc2ccc(F)cc2)s1 | 10.1016/j.bmcl.2006.01.018 | |||
| CHEMBL207237 | 77050 | 0 | None | - | 0 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 419 | 10 | 2 | 4 | 3.9 | O=C(O)c1ccc(CCCN2C(=O)CC[C@@H]2CC[C@@H](O)Cc2ccc(F)cc2)s1 | 10.1016/j.bmcl.2006.01.018 | |||
| 44570000 | 178650 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 544 | 7 | 2 | 5 | 6.2 | O=C(COc1cccc2[nH]cc(Cc3ccc4ccccc4c3)c12)NS(=O)(=O)c1cc(Cl)c(Cl)s1 | 10.1021/jm9005912 | |||
| CHEMBL467632 | 178650 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 544 | 7 | 2 | 5 | 6.2 | O=C(COc1cccc2[nH]cc(Cc3ccc4ccccc4c3)c12)NS(=O)(=O)c1cc(Cl)c(Cl)s1 | 10.1021/jm9005912 | |||
| 44409739 | 139660 | 0 | None | - | 0 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 477 | 11 | 2 | 4 | 5.4 | O=C(O)c1ccc(CCCN2C(=O)CC[C@@H]2CCC(O)Cc2ccccc2-c2ccccc2)s1 | 10.1016/j.bmcl.2006.01.018 | |||
| CHEMBL379785 | 139660 | 0 | None | - | 0 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 477 | 11 | 2 | 4 | 5.4 | O=C(O)c1ccc(CCCN2C(=O)CC[C@@H]2CCC(O)Cc2ccccc2-c2ccccc2)s1 | 10.1016/j.bmcl.2006.01.018 | |||
| 44157014 | 192617 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 518 | 6 | 1 | 5 | 5.9 | Cn1cc(/C=C/C(=O)NS(=O)(=O)c2ccc(F)c(F)c2)c2c(Oc3ccc4ccccc4c3)cccc21 | 10.1016/j.bmcl.2008.12.112 | |||
| CHEMBL521609 | 192617 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 518 | 6 | 1 | 5 | 5.9 | Cn1cc(/C=C/C(=O)NS(=O)(=O)c2ccc(F)c(F)c2)c2c(Oc3ccc4ccccc4c3)cccc21 | 10.1016/j.bmcl.2008.12.112 | |||
| 58905349 | 156278 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 400 | 6 | 2 | 4 | 4.3 | O=C(O)c1ccc(CNC(=O)c2cc(Cl)cnc2Oc2ccc(F)cc2)cc1 | 10.1016/j.bmcl.2017.01.067 | |||
| CHEMBL4065183 | 156278 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 400 | 6 | 2 | 4 | 4.3 | O=C(O)c1ccc(CNC(=O)c2cc(Cl)cnc2Oc2ccc(F)cc2)cc1 | 10.1016/j.bmcl.2017.01.067 | |||
| CHEMBL4552554 | 214001 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | None | None | None | O=C(c1ccc(F)cc1)N1CC(COc2ccc(Br)cc2)(C(=O)O)C1 | 10.6019/CHEMBL5210307 | |||||
| 10047541 | 132510 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 416 | 13 | 4 | 6 | 3.8 | O=C(O)CCCCCC[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1CCC(O)CSc1cccs1 | 10.1021/jm990542v | |||
| CHEMBL369797 | 132510 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 416 | 13 | 4 | 6 | 3.8 | O=C(O)CCCCCC[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1CCC(O)CSc1cccs1 | 10.1021/jm990542v | |||
| 122180293 | 121643 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 416 | 4 | 0 | 5 | 4.9 | COc1cc(-c2csc3ccccc23)cc2c1OCC(=O)N(Cc1cccnc1)C2 | 10.1021/acs.jmedchem.5b00567 | |||
| CHEMBL3586357 | 121643 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 416 | 4 | 0 | 5 | 4.9 | COc1cc(-c2csc3ccccc23)cc2c1OCC(=O)N(Cc1cccnc1)C2 | 10.1021/acs.jmedchem.5b00567 | |||
| 11955294 | 144768 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 380 | 8 | 3 | 3 | 4.2 | O=C(O)CCCCCC[C@@H]1[C@@H](c2ccc3c(c2)CCC3O)[C@H](O)C[C@H]1Cl | nan | |||
| CHEMBL3909111 | 144768 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 380 | 8 | 3 | 3 | 4.2 | O=C(O)CCCCCC[C@@H]1[C@@H](c2ccc3c(c2)CCC3O)[C@H](O)C[C@H]1Cl | nan | |||
| 11955240 | 147990 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 352 | 8 | 3 | 3 | 3.5 | O=C(O)CCC/C=C\C[C@@H]1[C@@H](c2ccc(CO)cc2)[C@H](O)C[C@H]1Cl | nan | |||
| CHEMBL3934202 | 147990 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 352 | 8 | 3 | 3 | 3.5 | O=C(O)CCC/C=C\C[C@@H]1[C@@H](c2ccc(CO)cc2)[C@H](O)C[C@H]1Cl | nan | |||
| 44409910 | 140909 | 0 | None | - | 0 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 477 | 11 | 2 | 4 | 5.4 | O=C(O)c1ccc(CCCN2C(=O)CC[C@@H]2CCC(O)Cc2cccc(-c3ccccc3)c2)s1 | 10.1016/j.bmcl.2006.01.018 | |||
| CHEMBL382197 | 140909 | 0 | None | - | 0 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 477 | 11 | 2 | 4 | 5.4 | O=C(O)c1ccc(CCCN2C(=O)CC[C@@H]2CCC(O)Cc2cccc(-c3ccccc3)c2)s1 | 10.1016/j.bmcl.2006.01.018 | |||
| 25195248 | 182935 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 540 | 6 | 1 | 4 | 4.6 | CC12CCCC(/C=C/C(=O)NS(=O)(=O)c3cc(F)c(F)cc3F)=C1N(Cc1ccc(F)c(F)c1)C(=O)C2 | 10.1016/j.bmcl.2008.12.027 | |||
| CHEMBL479263 | 182935 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 540 | 6 | 1 | 4 | 4.6 | CC12CCCC(/C=C/C(=O)NS(=O)(=O)c3cc(F)c(F)cc3F)=C1N(Cc1ccc(F)c(F)c1)C(=O)C2 | 10.1016/j.bmcl.2008.12.027 | |||
| 118756024 | 121637 | 4 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 416 | 5 | 0 | 5 | 5.8 | CCOc1cc(-c2csc3ccccc23)cc2c1OCCN(Cc1cccnc1)C2 | 10.1021/acs.jmedchem.5b00567 | |||
| CHEMBL3586350 | 121637 | 4 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 416 | 5 | 0 | 5 | 5.8 | CCOc1cc(-c2csc3ccccc23)cc2c1OCCN(Cc1cccnc1)C2 | 10.1021/acs.jmedchem.5b00567 | |||
| 122180286 | 121635 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 388 | 3 | 1 | 5 | 5.1 | Oc1cc(-c2csc3ccccc23)cc2c1OCCN(Cc1cccnc1)C2 | 10.1021/acs.jmedchem.5b00567 | |||
| CHEMBL3586349 | 121635 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 388 | 3 | 1 | 5 | 5.1 | Oc1cc(-c2csc3ccccc23)cc2c1OCCN(Cc1cccnc1)C2 | 10.1021/acs.jmedchem.5b00567 | |||
| 10339756 | 143085 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 380 | 12 | 3 | 4 | 3.9 | CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C(C)(C)C(=O)[C@@H]1C/C=C\CCCC(=O)O | nan | |||
| CHEMBL3895324 | 143085 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 380 | 12 | 3 | 4 | 3.9 | CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C(C)(C)C(=O)[C@@H]1C/C=C\CCCC(=O)O | nan | |||
| 122180264 | 121615 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 346 | 4 | 0 | 4 | 4.2 | COc1cc(-c2ccccc2)cc2c1OCCN(Cc1cccnc1)C2 | 10.1021/acs.jmedchem.5b00567 | |||
| CHEMBL3586327 | 121615 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 346 | 4 | 0 | 4 | 4.2 | COc1cc(-c2ccccc2)cc2c1OCCN(Cc1cccnc1)C2 | 10.1021/acs.jmedchem.5b00567 | |||
| 122180267 | 121617 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 360 | 4 | 0 | 4 | 4.5 | COc1cc(-c2cccc(C)c2)cc2c1OCCN(Cc1cccnc1)C2 | 10.1021/acs.jmedchem.5b00567 | |||
| CHEMBL3586330 | 121617 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 360 | 4 | 0 | 4 | 4.5 | COc1cc(-c2cccc(C)c2)cc2c1OCCN(Cc1cccnc1)C2 | 10.1021/acs.jmedchem.5b00567 | |||
| 11955255 | 146257 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 408 | 8 | 3 | 3 | 5.0 | CC(C)(C)C(O)c1ccc([C@H]2[C@H](O)C[C@@H](Cl)[C@@H]2C/C=C\CCCC(=O)O)cc1 | nan | |||
| CHEMBL3920560 | 146257 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 408 | 8 | 3 | 3 | 5.0 | CC(C)(C)C(O)c1ccc([C@H]2[C@H](O)C[C@@H](Cl)[C@@H]2C/C=C\CCCC(=O)O)cc1 | nan | |||
| 11495634 | 14905 | 13 | None | - | 4 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 405 | 6 | 1 | 3 | 5.4 | O=C(O)c1cccc(Cc2cc(Cl)ccc2OCc2ccc(Cl)cc2F)n1 | 10.1016/j.bmcl.2009.02.112 | |||
| CHEMBL1207972 | 14905 | 13 | None | - | 4 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 405 | 6 | 1 | 3 | 5.4 | O=C(O)c1cccc(Cc2cc(Cl)ccc2OCc2ccc(Cl)cc2F)n1 | 10.1016/j.bmcl.2009.02.112 | |||
| CHEMBL467114 | 14905 | 13 | None | - | 4 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 405 | 6 | 1 | 3 | 5.4 | O=C(O)c1cccc(Cc2cc(Cl)ccc2OCc2ccc(Cl)cc2F)n1 | 10.1016/j.bmcl.2009.02.112 | |||
| 9820676 | 195045 | 0 | None | - | 0 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 369 | 13 | 1 | 3 | 3.8 | CCCCc1ccc(CN(CCCCCCC(=O)O)S(C)(=O)=O)cc1 | 10.1016/j.bmcl.2009.01.059 | |||
| CHEMBL549461 | 195045 | 0 | None | - | 0 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 369 | 13 | 1 | 3 | 3.8 | CCCCc1ccc(CN(CCCCCCC(=O)O)S(C)(=O)=O)cc1 | 10.1016/j.bmcl.2009.01.059 | |||
| 122180290 | 121640 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 370 | 3 | 0 | 3 | 5.9 | c1cncc(CN2CCCc3ccc(-c4csc5ccccc45)cc3C2)c1 | 10.1021/acs.jmedchem.5b00567 | |||
| CHEMBL3586354 | 121640 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 370 | 3 | 0 | 3 | 5.9 | c1cncc(CN2CCCc3ccc(-c4csc5ccccc45)cc3C2)c1 | 10.1021/acs.jmedchem.5b00567 | |||
| 11575201 | 157422 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 413 | 6 | 2 | 3 | 5.5 | C[C@H](NC(=O)c1cc(Cl)ccc1Oc1cccc(F)c1)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2017.01.067 | |||
| CHEMBL4078648 | 157422 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 413 | 6 | 2 | 3 | 5.5 | C[C@H](NC(=O)c1cc(Cl)ccc1Oc1cccc(F)c1)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2017.01.067 | |||
| 72695027 | 106266 | 0 | None | -28 | 2 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 396 | 8 | 2 | 4 | 3.5 | C[C@H](NC(=O)[C@H]1CCCCN1CCOc1ccccc1)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2015.05.091 | |||
| CHEMBL3115074 | 106266 | 0 | None | -28 | 2 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 396 | 8 | 2 | 4 | 3.5 | C[C@H](NC(=O)[C@H]1CCCCN1CCOc1ccccc1)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2015.05.091 | |||
| CHEMBL3138992 | 106266 | 0 | None | -28 | 2 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 396 | 8 | 2 | 4 | 3.5 | C[C@H](NC(=O)[C@H]1CCCCN1CCOc1ccccc1)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2015.05.091 | |||
| 122180256 | 121608 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 431 | 5 | 0 | 5 | 6.0 | COc1ccc(CN2CCOc3c(cc(-c4csc5ccccc45)cc3OC)C2)cc1 | 10.1021/acs.jmedchem.5b00567 | |||
| CHEMBL3586319 | 121608 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 431 | 5 | 0 | 5 | 6.0 | COc1ccc(CN2CCOc3c(cc(-c4csc5ccccc45)cc3OC)C2)cc1 | 10.1021/acs.jmedchem.5b00567 | |||
| 11955406 | 146104 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 376 | 10 | 3 | 4 | 3.4 | CC(C)(CO)c1ccc([C@H]2[C@H](O)CC(=O)[C@@H]2CCCCCCC(=O)O)cc1 | nan | |||
| CHEMBL3919393 | 146104 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 376 | 10 | 3 | 4 | 3.4 | CC(C)(CO)c1ccc([C@H]2[C@H](O)CC(=O)[C@@H]2CCCCCCC(=O)O)cc1 | nan | |||
| 44409738 | 139606 | 0 | None | - | 0 | Rat | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 435 | 10 | 2 | 4 | 4.4 | O=C(O)c1ccc(CCCN2C(=O)CC[C@@H]2CC[C@@H](O)Cc2cccc(Cl)c2)s1 | 10.1016/j.bmcl.2006.01.018 | |||
| CHEMBL379746 | 139606 | 0 | None | - | 0 | Rat | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 435 | 10 | 2 | 4 | 4.4 | O=C(O)c1ccc(CCCN2C(=O)CC[C@@H]2CC[C@@H](O)Cc2cccc(Cl)c2)s1 | 10.1016/j.bmcl.2006.01.018 | |||
| 11577792 | 159318 | 19 | None | -1819 | 5 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 414 | 6 | 2 | 4 | 4.9 | C[C@H](NC(=O)c1cc(Cl)cnc1Oc1cccc(F)c1)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2017.01.067 | |||
| CHEMBL4099851 | 159318 | 19 | None | -1819 | 5 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 414 | 6 | 2 | 4 | 4.9 | C[C@H](NC(=O)c1cc(Cl)cnc1Oc1cccc(F)c1)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2017.01.067 | |||
| 46879894 | 6181 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 565 | 6 | 1 | 5 | 7.2 | Cc1cn(Cc2ccc(Cl)cc2Cl)c2c(-c3cc(NS(=O)(=O)c4ccc(F)c(F)c4)no3)cc(F)cc12 | 10.1016/j.bmcl.2009.09.084 | |||
| CHEMBL1081186 | 6181 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 565 | 6 | 1 | 5 | 7.2 | Cc1cn(Cc2ccc(Cl)cc2Cl)c2c(-c3cc(NS(=O)(=O)c4ccc(F)c(F)c4)no3)cc(F)cc12 | 10.1016/j.bmcl.2009.09.084 | |||
| 122180297 | 121647 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 437 | 3 | 1 | 4 | 4.9 | C[C@@H]1COc2c(Cl)cc(-n3ccc4cc(F)ccc43)cc2CN1Cc1cc[nH]c(=O)c1 | 10.1021/acs.jmedchem.5b00567 | |||
| CHEMBL3586362 | 121647 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 437 | 3 | 1 | 4 | 4.9 | C[C@@H]1COc2c(Cl)cc(-n3ccc4cc(F)ccc43)cc2CN1Cc1cc[nH]c(=O)c1 | 10.1021/acs.jmedchem.5b00567 | |||
| 1883 | 3082 | 75 | None | -6 | 24 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.bmc.2013.03.016 | |||
| 1916 | 3082 | 75 | None | -6 | 24 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.bmc.2013.03.016 | |||
| 5280360 | 3082 | 75 | None | -6 | 24 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.bmc.2013.03.016 | |||
| 913 | 3082 | 75 | None | -6 | 24 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.bmc.2013.03.016 | |||
| CHEMBL548 | 3082 | 75 | None | -6 | 24 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.bmc.2013.03.016 | |||
| DB00917 | 3082 | 75 | None | -6 | 24 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.bmc.2013.03.016 | |||
| 1883 | 3082 | 75 | None | -6 | 24 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.bmc.2016.11.014 | |||
| 1916 | 3082 | 75 | None | -6 | 24 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.bmc.2016.11.014 | |||
| 5280360 | 3082 | 75 | None | -6 | 24 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.bmc.2016.11.014 | |||
| 913 | 3082 | 75 | None | -6 | 24 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.bmc.2016.11.014 | |||
| CHEMBL548 | 3082 | 75 | None | -6 | 24 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.bmc.2016.11.014 | |||
| DB00917 | 3082 | 75 | None | -6 | 24 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.bmc.2016.11.014 | |||
| 1883 | 3082 | 75 | None | -6 | 24 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.bmc.2016.03.006 | |||
| 1916 | 3082 | 75 | None | -6 | 24 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.bmc.2016.03.006 | |||
| 5280360 | 3082 | 75 | None | -6 | 24 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.bmc.2016.03.006 | |||
| 913 | 3082 | 75 | None | -6 | 24 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.bmc.2016.03.006 | |||
| CHEMBL548 | 3082 | 75 | None | -6 | 24 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.bmc.2016.03.006 | |||
| DB00917 | 3082 | 75 | None | -6 | 24 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.bmc.2016.03.006 | |||
| 122180249 | 121601 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 403 | 4 | 0 | 6 | 4.8 | COc1cc(-c2csc3ccccc23)cc2c1OCCN(Cc1cncnc1)C2 | 10.1021/acs.jmedchem.5b00567 | |||
| CHEMBL3586312 | 121601 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 403 | 4 | 0 | 6 | 4.8 | COc1cc(-c2csc3ccccc23)cc2c1OCCN(Cc1cncnc1)C2 | 10.1021/acs.jmedchem.5b00567 | |||
| 122180295 | 121644 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 422 | 3 | 1 | 4 | 5.3 | O=c1cc(CN2CCOc3c(Cl)cc(-c4csc5ccccc45)cc3C2)cc[nH]1 | 10.1021/acs.jmedchem.5b00567 | |||
| CHEMBL3586359 | 121644 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 422 | 3 | 1 | 4 | 5.3 | O=c1cc(CN2CCOc3c(Cl)cc(-c4csc5ccccc45)cc3C2)cc[nH]1 | 10.1021/acs.jmedchem.5b00567 | |||
| 30956824 | 121600 | 4 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 402 | 4 | 0 | 5 | 5.4 | COc1cc(-c2csc3ccccc23)cc2c1OCCN(Cc1ccncc1)C2 | 10.1021/acs.jmedchem.5b00567 | |||
| CHEMBL3586311 | 121600 | 4 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 402 | 4 | 0 | 5 | 5.4 | COc1cc(-c2csc3ccccc23)cc2c1OCCN(Cc1ccncc1)C2 | 10.1021/acs.jmedchem.5b00567 | |||
| 122180250 | 121602 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 432 | 5 | 0 | 6 | 5.4 | COc1cc(-c2csc3ccccc23)cc2c1OCCN(Cc1cccnc1OC)C2 | 10.1021/acs.jmedchem.5b00567 | |||
| CHEMBL3586313 | 121602 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 432 | 5 | 0 | 6 | 5.4 | COc1cc(-c2csc3ccccc23)cc2c1OCCN(Cc1cccnc1OC)C2 | 10.1021/acs.jmedchem.5b00567 | |||
| 122180252 | 121604 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 418 | 4 | 1 | 5 | 4.7 | COc1cc(-c2csc3ccccc23)cc2c1OCCN(Cc1ccc(=O)[nH]c1)C2 | 10.1021/acs.jmedchem.5b00567 | |||
| CHEMBL3586315 | 121604 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 418 | 4 | 1 | 5 | 4.7 | COc1cc(-c2csc3ccccc23)cc2c1OCCN(Cc1ccc(=O)[nH]c1)C2 | 10.1021/acs.jmedchem.5b00567 | |||
| 122180288 | 121638 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 386 | 3 | 0 | 4 | 5.7 | Cc1cc(-c2csc3ccccc23)cc2c1OCCN(Cc1cccnc1)C2 | 10.1021/acs.jmedchem.5b00567 | |||
| CHEMBL3586352 | 121638 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 386 | 3 | 0 | 4 | 5.7 | Cc1cc(-c2csc3ccccc23)cc2c1OCCN(Cc1cccnc1)C2 | 10.1021/acs.jmedchem.5b00567 | |||
| 9885481 | 195383 | 0 | None | - | 0 | Rat | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 365 | 16 | 2 | 4 | 3.0 | CCCCCC(O)CCCN(CCCCCCC(=O)O)S(C)(=O)=O | 10.1016/j.bmcl.2009.01.059 | |||
| CHEMBL551951 | 195383 | 0 | None | - | 0 | Rat | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 365 | 16 | 2 | 4 | 3.0 | CCCCCC(O)CCCN(CCCCCCC(=O)O)S(C)(=O)=O | 10.1016/j.bmcl.2009.01.059 | |||
| 11955276 | 150751 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 358 | 7 | 3 | 4 | 2.9 | O=C(O)CCC/C=C\C[C@H]1C(=O)C[C@@H](O)[C@@H]1c1ccc2c(c1)CCC2O | nan | |||
| CHEMBL3956391 | 150751 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 358 | 7 | 3 | 4 | 2.9 | O=C(O)CCC/C=C\C[C@H]1C(=O)C[C@@H](O)[C@@H]1c1ccc2c(c1)CCC2O | nan | |||
| 44570666 | 183270 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 522 | 6 | 1 | 4 | 4.5 | CC12CCCC(/C=C/C(=O)NS(=O)(=O)c3ccc(F)c(F)c3)=C1N(Cc1ccc(F)c(F)c1)C(=O)C2 | 10.1016/j.bmcl.2008.12.027 | |||
| CHEMBL479664 | 183270 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 522 | 6 | 1 | 4 | 4.5 | CC12CCCC(/C=C/C(=O)NS(=O)(=O)c3ccc(F)c(F)c3)=C1N(Cc1ccc(F)c(F)c1)C(=O)C2 | 10.1016/j.bmcl.2008.12.027 | |||
| 58905388 | 158666 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 383 | 6 | 2 | 3 | 4.4 | O=C(O)c1ccc(CNC(=O)c2cc(F)ccc2Oc2ccc(F)cc2)cc1 | 10.1016/j.bmcl.2017.01.067 | |||
| CHEMBL4092846 | 158666 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 383 | 6 | 2 | 3 | 4.4 | O=C(O)c1ccc(CNC(=O)c2cc(F)ccc2Oc2ccc(F)cc2)cc1 | 10.1016/j.bmcl.2017.01.067 | |||
| 10670992 | 60056 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 444 | 13 | 4 | 5 | 4.4 | O=C(O)CCCCCC[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1CCC(O)CSc1cccc(Cl)c1 | 10.1021/jm990542v | |||
| CHEMBL173680 | 60056 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 444 | 13 | 4 | 5 | 4.4 | O=C(O)CCCCCC[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1CCC(O)CSc1cccc(Cl)c1 | 10.1021/jm990542v | |||
| 15486806 | 100487 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 392 | 13 | 4 | 4 | 3.5 | O=C(O)CCCCCC[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1CC[C@@H](O)CCc1ccccc1 | 10.1021/jm990542v | |||
| CHEMBL290969 | 100487 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 392 | 13 | 4 | 4 | 3.5 | O=C(O)CCCCCC[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1CC[C@@H](O)CCc1ccccc1 | 10.1021/jm990542v | |||
| 45270403 | 195117 | 0 | None | - | 0 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 351 | 14 | 2 | 4 | 2.5 | CC(C)CC(O)CCCN(CCCCCCC(=O)O)S(C)(=O)=O | 10.1016/j.bmcl.2009.01.059 | |||
| CHEMBL550015 | 195117 | 0 | None | - | 0 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 351 | 14 | 2 | 4 | 2.5 | CC(C)CC(O)CCCN(CCCCCCC(=O)O)S(C)(=O)=O | 10.1016/j.bmcl.2009.01.059 | |||
| 10180 | 3592 | 58 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 402 | 3 | 1 | 3 | 4.2 | Fc1ccc2c(c1)c1CN(CCc1n2CC(=O)O)C(=O)c1cccc2c1cccc2 | 10.1021/jm400122f | |||
| 49843471 | 3592 | 58 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 402 | 3 | 1 | 3 | 4.2 | Fc1ccc2c(c1)c1CN(CCc1n2CC(=O)O)C(=O)c1cccc2c1cccc2 | 10.1021/jm400122f | |||
| CHEMBL2386081 | 3592 | 58 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 402 | 3 | 1 | 3 | 4.2 | Fc1ccc2c(c1)c1CN(CCc1n2CC(=O)O)C(=O)c1cccc2c1cccc2 | 10.1021/jm400122f | |||
| DB12562 | 3592 | 58 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 402 | 3 | 1 | 3 | 4.2 | Fc1ccc2c(c1)c1CN(CCc1n2CC(=O)O)C(=O)c1cccc2c1cccc2 | 10.1021/jm400122f | |||
| 45271237 | 195099 | 0 | None | - | 0 | Rat | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 403 | 11 | 1 | 3 | 4.0 | CCCCc1ccc(CN(Cc2cccc(CCC(=O)O)c2)S(C)(=O)=O)cc1 | 10.1016/j.bmcl.2009.01.059 | |||
| CHEMBL549870 | 195099 | 0 | None | - | 0 | Rat | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 403 | 11 | 1 | 3 | 4.0 | CCCCc1ccc(CN(Cc2cccc(CCC(=O)O)c2)S(C)(=O)=O)cc1 | 10.1016/j.bmcl.2009.01.059 | |||
| 122180275 | 121624 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 385 | 4 | 1 | 4 | 4.6 | COc1cc(-c2c[nH]c3ccccc23)cc2c1OCCN(Cc1cccnc1)C2 | 10.1021/acs.jmedchem.5b00567 | |||
| CHEMBL3586338 | 121624 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 385 | 4 | 1 | 4 | 4.6 | COc1cc(-c2c[nH]c3ccccc23)cc2c1OCCN(Cc1cccnc1)C2 | 10.1021/acs.jmedchem.5b00567 | |||
| 71733910 | 90335 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 436 | 3 | 1 | 3 | 4.9 | O=C(O)Cn1c2c(c3cc(F)cc(Cl)c31)CN(C(=O)c1cccc3ccccc13)CC2 | 10.1021/jm400122f | |||
| CHEMBL2385900 | 90335 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 436 | 3 | 1 | 3 | 4.9 | O=C(O)Cn1c2c(c3cc(F)cc(Cl)c31)CN(C(=O)c1cccc3ccccc13)CC2 | 10.1021/jm400122f | |||
| 18376258 | 195902 | 0 | None | - | 0 | Rat | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 465 | 9 | 1 | 3 | 5.4 | CC(C)(C)c1ccc(CN(Cc2cccc(CCC(=O)O)c2)S(=O)(=O)c2ccccc2)cc1 | 10.1016/j.bmcl.2009.01.059 | |||
| CHEMBL559065 | 195902 | 0 | None | - | 0 | Rat | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 465 | 9 | 1 | 3 | 5.4 | CC(C)(C)c1ccc(CN(Cc2cccc(CCC(=O)O)c2)S(=O)(=O)c2ccccc2)cc1 | 10.1016/j.bmcl.2009.01.059 | |||
| 122180263 | 121614 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 402 | 4 | 0 | 5 | 5.4 | COc1cc(-c2cc3ccccc3s2)cc2c1OCCN(Cc1cccnc1)C2 | 10.1021/acs.jmedchem.5b00567 | |||
| CHEMBL3586326 | 121614 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 402 | 4 | 0 | 5 | 5.4 | COc1cc(-c2cc3ccccc3s2)cc2c1OCCN(Cc1cccnc1)C2 | 10.1021/acs.jmedchem.5b00567 | |||
| 22246983 | 195862 | 0 | None | - | 0 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 389 | 11 | 1 | 3 | 4.2 | CS(=O)(=O)N(CCCCCCC(=O)O)Cc1ccc(-c2ccccc2)cc1 | 10.1016/j.bmcl.2009.01.059 | |||
| CHEMBL558671 | 195862 | 0 | None | - | 0 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 389 | 11 | 1 | 3 | 4.2 | CS(=O)(=O)N(CCCCCCC(=O)O)Cc1ccc(-c2ccccc2)cc1 | 10.1016/j.bmcl.2009.01.059 | |||
| 1883 | 3082 | 75 | None | -6 | 24 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.ejmech.2013.01.044 | |||
| 1916 | 3082 | 75 | None | -6 | 24 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.ejmech.2013.01.044 | |||
| 5280360 | 3082 | 75 | None | -6 | 24 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.ejmech.2013.01.044 | |||
| 913 | 3082 | 75 | None | -6 | 24 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.ejmech.2013.01.044 | |||
| CHEMBL548 | 3082 | 75 | None | -6 | 24 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.ejmech.2013.01.044 | |||
| DB00917 | 3082 | 75 | None | -6 | 24 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.ejmech.2013.01.044 | |||
| 122180284 | 121633 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 421 | 4 | 0 | 5 | 4.8 | COc1cc(N2CCc3cc(Cl)ccc32)cc2c1OCCN(Cc1cccnc1)C2 | 10.1021/acs.jmedchem.5b00567 | |||
| CHEMBL3586347 | 121633 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 421 | 4 | 0 | 5 | 4.8 | COc1cc(N2CCc3cc(Cl)ccc32)cc2c1OCCN(Cc1cccnc1)C2 | 10.1021/acs.jmedchem.5b00567 | |||
| 122180265 | 121616 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 396 | 4 | 0 | 4 | 5.3 | COc1cc(-c2cccc3ccccc23)cc2c1OCCN(Cc1cccnc1)C2 | 10.1021/acs.jmedchem.5b00567 | |||
| CHEMBL3586328 | 121616 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 396 | 4 | 0 | 4 | 5.3 | COc1cc(-c2cccc3ccccc23)cc2c1OCCN(Cc1cccnc1)C2 | 10.1021/acs.jmedchem.5b00567 | |||
| 122180274 | 121623 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 385 | 4 | 0 | 5 | 4.4 | COc1cc(-n2ccc3ccccc32)cc2c1OCCN(Cc1cccnc1)C2 | 10.1021/acs.jmedchem.5b00567 | |||
| CHEMBL3586337 | 121623 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 385 | 4 | 0 | 5 | 4.4 | COc1cc(-n2ccc3ccccc32)cc2c1OCCN(Cc1cccnc1)C2 | 10.1021/acs.jmedchem.5b00567 | |||
| 122180254 | 121606 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 435 | 4 | 0 | 4 | 6.6 | COc1cc(-c2csc3ccccc23)cc2c1OCCN(Cc1ccc(Cl)cc1)C2 | 10.1021/acs.jmedchem.5b00567 | |||
| CHEMBL3586317 | 121606 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 435 | 4 | 0 | 4 | 6.6 | COc1cc(-c2csc3ccccc23)cc2c1OCCN(Cc1ccc(Cl)cc1)C2 | 10.1021/acs.jmedchem.5b00567 | |||
| 122180255 | 121607 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 415 | 4 | 0 | 4 | 6.3 | COc1cc(-c2csc3ccccc23)cc2c1OCCN(Cc1ccc(C)cc1)C2 | 10.1021/acs.jmedchem.5b00567 | |||
| CHEMBL3586318 | 121607 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 415 | 4 | 0 | 4 | 6.3 | COc1cc(-c2csc3ccccc23)cc2c1OCCN(Cc1ccc(C)cc1)C2 | 10.1021/acs.jmedchem.5b00567 | |||
| 122180260 | 121612 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 435 | 4 | 0 | 4 | 6.6 | COc1cc(-c2csc3ccccc23)cc2c1OCCN(Cc1cccc(Cl)c1)C2 | 10.1021/acs.jmedchem.5b00567 | |||
| CHEMBL3586323 | 121612 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 435 | 4 | 0 | 4 | 6.6 | COc1cc(-c2csc3ccccc23)cc2c1OCCN(Cc1cccc(Cl)c1)C2 | 10.1021/acs.jmedchem.5b00567 | |||
| 45269575 | 196405 | 0 | None | - | 0 | Rat | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 419 | 12 | 1 | 4 | 4.0 | CCCCc1ccc(CN(CCCOc2cccc(C(=O)O)c2)S(C)(=O)=O)cc1 | 10.1016/j.bmcl.2009.01.059 | |||
| CHEMBL562825 | 196405 | 0 | None | - | 0 | Rat | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 419 | 12 | 1 | 4 | 4.0 | CCCCc1ccc(CN(CCCOc2cccc(C(=O)O)c2)S(C)(=O)=O)cc1 | 10.1016/j.bmcl.2009.01.059 | |||
| 45271234 | 195083 | 0 | None | - | 0 | Rat | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 405 | 11 | 1 | 4 | 3.5 | CCCCc1ccc(CN(Cc2ccccc2OCC(=O)O)S(C)(=O)=O)cc1 | 10.1016/j.bmcl.2009.01.059 | |||
| CHEMBL549663 | 195083 | 0 | None | - | 0 | Rat | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 405 | 11 | 1 | 4 | 3.5 | CCCCc1ccc(CN(Cc2ccccc2OCC(=O)O)S(C)(=O)=O)cc1 | 10.1016/j.bmcl.2009.01.059 | |||
| 45268716 | 195998 | 0 | None | - | 0 | Rat | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 389 | 10 | 1 | 3 | 4.0 | CCCCc1ccc(CN(c2cccc(CCC(=O)O)c2)S(C)(=O)=O)cc1 | 10.1016/j.bmcl.2009.01.059 | |||
| CHEMBL559955 | 195998 | 0 | None | - | 0 | Rat | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 389 | 10 | 1 | 3 | 4.0 | CCCCc1ccc(CN(c2cccc(CCC(=O)O)c2)S(C)(=O)=O)cc1 | 10.1016/j.bmcl.2009.01.059 | |||
| 16664733 | 154827 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 483 | 9 | 3 | 5 | 4.3 | CC(=O)Nc1cccc(-c2ccc(Cc3ocnc3C(=O)N[C@@H](Cc3ccccc3)C(=O)O)cc2)c1 | 10.1016/j.bmcl.2006.12.025 | |||
| CHEMBL400404 | 154827 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 483 | 9 | 3 | 5 | 4.3 | CC(=O)Nc1cccc(-c2ccc(Cc3ocnc3C(=O)N[C@@H](Cc3ccccc3)C(=O)O)cc2)c1 | 10.1016/j.bmcl.2006.12.025 | |||
| 45266955 | 195645 | 0 | None | - | 0 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 485 | 10 | 1 | 6 | 3.7 | Cn1ccnc1CS(=O)(=O)N(Cc1ccc(C(C)(C)C)cc1)Cc1cccc(OCC(=O)O)c1 | 10.1016/j.bmcl.2009.01.059 | |||
| CHEMBL556416 | 195645 | 0 | None | - | 0 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 485 | 10 | 1 | 6 | 3.7 | Cn1ccnc1CS(=O)(=O)N(Cc1ccc(C(C)(C)C)cc1)Cc1cccc(OCC(=O)O)c1 | 10.1016/j.bmcl.2009.01.059 | |||
| 44627515 | 196837 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 572 | 6 | 1 | 5 | 7.2 | Cc1cn(Cc2ccc3ccccc3c2)c2c(/C=C/C(=O)NS(=O)(=O)c3cc(Cl)c(Cl)s3)cc(F)cc12 | 10.1021/jm9005912 | |||
| CHEMBL565799 | 196837 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 572 | 6 | 1 | 5 | 7.2 | Cc1cn(Cc2ccc3ccccc3c2)c2c(/C=C/C(=O)NS(=O)(=O)c3cc(Cl)c(Cl)s3)cc(F)cc12 | 10.1021/jm9005912 | |||
| 11618662 | 158822 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 421 | 6 | 2 | 5 | 4.6 | C[C@H](NC(=O)c1cc(Cl)cnc1Oc1cccc(C#N)c1)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2017.01.067 | |||
| CHEMBL4094572 | 158822 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 421 | 6 | 2 | 5 | 4.6 | C[C@H](NC(=O)c1cc(Cl)cnc1Oc1cccc(C#N)c1)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2017.01.067 | |||
| 11955257 | 153886 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 410 | 9 | 3 | 3 | 5.3 | CC(C)(C)C(O)c1ccc([C@H]2[C@H](O)C[C@@H](Cl)[C@@H]2CCCCCCC(=O)O)cc1 | nan | |||
| CHEMBL3983069 | 153886 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 410 | 9 | 3 | 3 | 5.3 | CC(C)(C)C(O)c1ccc([C@H]2[C@H](O)C[C@@H](Cl)[C@@H]2CCCCCCC(=O)O)cc1 | nan | |||
| 1883 | 3082 | 75 | None | -6 | 24 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1021/jm9018756 | |||
| 1916 | 3082 | 75 | None | -6 | 24 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1021/jm9018756 | |||
| 5280360 | 3082 | 75 | None | -6 | 24 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1021/jm9018756 | |||
| 913 | 3082 | 75 | None | -6 | 24 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1021/jm9018756 | |||
| CHEMBL548 | 3082 | 75 | None | -6 | 24 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1021/jm9018756 | |||
| DB00917 | 3082 | 75 | None | -6 | 24 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1021/jm9018756 | |||
| 1894 | 957 | 41 | None | - | 5 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 424 | 11 | 4 | 5 | 3.2 | OC(=O)CCC/C=C\C[C@H]1[C@@H](O)C[C@H]([C@@H]1/C=C/[C@H](COc1cccc(c1)Cl)O)O | 10.1021/jm990542v | |||
| 5311053 | 957 | 41 | None | - | 5 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 424 | 11 | 4 | 5 | 3.2 | OC(=O)CCC/C=C\C[C@H]1[C@@H](O)C[C@H]([C@@H]1/C=C/[C@H](COc1cccc(c1)Cl)O)O | 10.1021/jm990542v | |||
| CHEMBL37853 | 957 | 41 | None | - | 5 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 424 | 11 | 4 | 5 | 3.2 | OC(=O)CCC/C=C\C[C@H]1[C@@H](O)C[C@H]([C@@H]1/C=C/[C@H](COc1cccc(c1)Cl)O)O | 10.1021/jm990542v | |||
| DB11507 | 957 | 41 | None | - | 5 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 424 | 11 | 4 | 5 | 3.2 | OC(=O)CCC/C=C\C[C@H]1[C@@H](O)C[C@H]([C@@H]1/C=C/[C@H](COc1cccc(c1)Cl)O)O | 10.1021/jm990542v | |||
| 118175009 | 136685 | 0 | None | -812 | 2 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 429 | 4 | 2 | 2 | 6.7 | Cc1ccc(C(=O)O)c(C)c1NC(=O)c1cc(-c2cccc(Cl)c2)cc2ccccc12 | 10.1016/j.bmcl.2015.11.023 | |||
| CHEMBL3740325 | 136685 | 0 | None | -812 | 2 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 429 | 4 | 2 | 2 | 6.7 | Cc1ccc(C(=O)O)c(C)c1NC(=O)c1cc(-c2cccc(Cl)c2)cc2ccccc12 | 10.1016/j.bmcl.2015.11.023 | |||
| 45271238 | 195641 | 0 | None | - | 0 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 403 | 8 | 1 | 3 | 4.0 | CC(C)(C)c1ccc(CN(Cc2cccc(CCC(=O)O)c2)S(C)(=O)=O)cc1 | 10.1016/j.bmcl.2009.01.059 | |||
| CHEMBL556333 | 195641 | 0 | None | - | 0 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 403 | 8 | 1 | 3 | 4.0 | CC(C)(C)c1ccc(CN(Cc2cccc(CCC(=O)O)c2)S(C)(=O)=O)cc1 | 10.1016/j.bmcl.2009.01.059 | |||
| 1883 | 3082 | 75 | None | -6 | 24 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1021/acs.jmedchem.8b00808 | |||
| 1916 | 3082 | 75 | None | -6 | 24 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1021/acs.jmedchem.8b00808 | |||
| 5280360 | 3082 | 75 | None | -6 | 24 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1021/acs.jmedchem.8b00808 | |||
| 913 | 3082 | 75 | None | -6 | 24 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1021/acs.jmedchem.8b00808 | |||
| CHEMBL548 | 3082 | 75 | None | -6 | 24 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1021/acs.jmedchem.8b00808 | |||
| DB00917 | 3082 | 75 | None | -6 | 24 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1021/acs.jmedchem.8b00808 | |||
| 122180272 | 121621 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 403 | 4 | 0 | 6 | 4.8 | COc1cc(-c2nsc3ccccc23)cc2c1OCCN(Cc1cccnc1)C2 | 10.1021/acs.jmedchem.5b00567 | |||
| CHEMBL3586335 | 121621 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 403 | 4 | 0 | 6 | 4.8 | COc1cc(-c2nsc3ccccc23)cc2c1OCCN(Cc1cccnc1)C2 | 10.1021/acs.jmedchem.5b00567 | |||
| 122180278 | 121627 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 419 | 4 | 0 | 5 | 5.1 | COc1cc(-n2ccc3c(Cl)cccc32)cc2c1OCCN(Cc1cccnc1)C2 | 10.1021/acs.jmedchem.5b00567 | |||
| CHEMBL3586341 | 121627 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 419 | 4 | 0 | 5 | 5.1 | COc1cc(-n2ccc3c(Cl)cccc32)cc2c1OCCN(Cc1cccnc1)C2 | 10.1021/acs.jmedchem.5b00567 | |||
| 122180292 | 121642 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 385 | 3 | 0 | 4 | 5.4 | CN1CCN(Cc2cccnc2)Cc2cc(-c3csc4ccccc34)ccc21 | 10.1021/acs.jmedchem.5b00567 | |||
| CHEMBL3586356 | 121642 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 385 | 3 | 0 | 4 | 5.4 | CN1CCN(Cc2cccnc2)Cc2cc(-c3csc4ccccc34)ccc21 | 10.1021/acs.jmedchem.5b00567 | |||
| 11296282 | 1409 | 32 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 590 | 6 | 1 | 5 | 7.3 | Clc1ccc(c(c1)Cl)Cn1cc(c2c1c(/C=C/C(=O)NS(=O)(=O)c1sc(c(c1)Cl)Cl)cc(c2)F)C | 10.1021/jm9005912 | |||
| 5822 | 1409 | 32 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 590 | 6 | 1 | 5 | 7.3 | Clc1ccc(c(c1)Cl)Cn1cc(c2c1c(/C=C/C(=O)NS(=O)(=O)c1sc(c(c1)Cl)Cl)cc(c2)F)C | 10.1021/jm9005912 | |||
| CHEMBL565591 | 1409 | 32 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 590 | 6 | 1 | 5 | 7.3 | Clc1ccc(c(c1)Cl)Cn1cc(c2c1c(/C=C/C(=O)NS(=O)(=O)c1sc(c(c1)Cl)Cl)cc(c2)F)C | 10.1021/jm9005912 | |||
| 44230999 | 167446 | 26 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 520 | 11 | 1 | 9 | 3.4 | CC(C)OC(=O)CNc1cccc(CN(Cc2ccc(-n3cccn3)cc2)S(=O)(=O)c2cccnc2)n1 | 10.1021/acs.jmedchem.8b00808 | |||
| CHEMBL4297666 | 167446 | 26 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 520 | 11 | 1 | 9 | 3.4 | CC(C)OC(=O)CNc1cccc(CN(Cc2ccc(-n3cccn3)cc2)S(=O)(=O)c2cccnc2)n1 | 10.1021/acs.jmedchem.8b00808 | |||
| 11955235 | 152751 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 394 | 9 | 3 | 3 | 4.2 | CC(C)(CO)c1ccc([C@H]2[C@H](O)C[C@@H](Cl)[C@@H]2C/C=C\CCCC(=O)O)cc1 | nan | |||
| CHEMBL3973312 | 152751 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 394 | 9 | 3 | 3 | 4.2 | CC(C)(CO)c1ccc([C@H]2[C@H](O)C[C@@H](Cl)[C@@H]2C/C=C\CCCC(=O)O)cc1 | nan | |||
| 44564571 | 186815 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 536 | 6 | 1 | 5 | 6.1 | Cn1cc(/C=C/C(=O)NS(=O)(=O)c2ccc(F)c(F)c2)c2c(Oc3ccc(Cl)c(Cl)c3)cccc21 | 10.1016/j.bmcl.2008.12.112 | |||
| CHEMBL489310 | 186815 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 536 | 6 | 1 | 5 | 6.1 | Cn1cc(/C=C/C(=O)NS(=O)(=O)c2ccc(F)c(F)c2)c2c(Oc3ccc(Cl)c(Cl)c3)cccc21 | 10.1016/j.bmcl.2008.12.112 | |||
| 11683088 | 158978 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 414 | 6 | 2 | 4 | 4.9 | C[C@H](NC(=O)c1cc(Cl)cnc1Oc1ccc(F)cc1)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2017.01.067 | |||
| CHEMBL4096216 | 158978 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 414 | 6 | 2 | 4 | 4.9 | C[C@H](NC(=O)c1cc(Cl)cnc1Oc1ccc(F)cc1)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2017.01.067 | |||
| 162671048 | 182807 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 451 | 5 | 1 | 4 | 5.4 | Cc1c(-c2cccs2)nc2ccc(Br)cc2c1C(=O)NCCc1cccnc1 | 10.1021/acs.jmedchem.0c00834 | |||
| CHEMBL4790821 | 182807 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 451 | 5 | 1 | 4 | 5.4 | Cc1c(-c2cccs2)nc2ccc(Br)cc2c1C(=O)NCCc1cccnc1 | 10.1021/acs.jmedchem.0c00834 | |||
| 9934368 | 138921 | 11 | None | - | 1 | Rat | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 469 | 10 | 2 | 4 | 4.8 | O=C(O)c1ccc(CCCN2C(=O)CC[C@@H]2CC[C@@H](O)Cc2cccc(C(F)(F)F)c2)s1 | 10.1021/jm9018756 | |||
| CHEMBL378376 | 138921 | 11 | None | - | 1 | Rat | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 469 | 10 | 2 | 4 | 4.8 | O=C(O)c1ccc(CCCN2C(=O)CC[C@@H]2CC[C@@H](O)Cc2cccc(C(F)(F)F)c2)s1 | 10.1021/jm9018756 | |||
| 9934368 | 138921 | 11 | None | - | 1 | Rat | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 469 | 10 | 2 | 4 | 4.8 | O=C(O)c1ccc(CCCN2C(=O)CC[C@@H]2CC[C@@H](O)Cc2cccc(C(F)(F)F)c2)s1 | 10.1016/j.bmcl.2006.01.018 | |||
| CHEMBL378376 | 138921 | 11 | None | - | 1 | Rat | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 469 | 10 | 2 | 4 | 4.8 | O=C(O)c1ccc(CCCN2C(=O)CC[C@@H]2CC[C@@H](O)Cc2cccc(C(F)(F)F)c2)s1 | 10.1016/j.bmcl.2006.01.018 | |||
| 44627395 | 196872 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 563 | 7 | 1 | 7 | 5.6 | O=C(COc1cccc2ncn(Cc3ccc(Cl)cc3Cl)c12)NS(=O)(=O)c1cc(Cl)c(Cl)s1 | 10.1021/jm9005912 | |||
| CHEMBL565992 | 196872 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 563 | 7 | 1 | 7 | 5.6 | O=C(COc1cccc2ncn(Cc3ccc(Cl)cc3Cl)c12)NS(=O)(=O)c1cc(Cl)c(Cl)s1 | 10.1021/jm9005912 | |||
| 11955410 | 152529 | 0 | None | - | 0 | Human | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 408 | 9 | 2 | 4 | 4.3 | COC(=O)CCC/C=C\C[C@@H]1[C@@H](c2ccc(C(C)(C)CO)cc2)[C@H](O)C[C@H]1Cl | nan | |||
| CHEMBL3971493 | 152529 | 0 | None | - | 0 | Human | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 408 | 9 | 2 | 4 | 4.3 | COC(=O)CCC/C=C\C[C@@H]1[C@@H](c2ccc(C(C)(C)CO)cc2)[C@H](O)C[C@H]1Cl | nan | |||
| 5311239 | 130618 | 31 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 358 | 14 | 4 | 4 | 3.5 | CCCCC[C@H](O)CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1CCCCCCC(=O)O | 10.1021/jm990542v | |||
| CHEMBL36817 | 130618 | 31 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 358 | 14 | 4 | 4 | 3.5 | CCCCC[C@H](O)CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1CCCCCCC(=O)O | 10.1021/jm990542v | |||
| 45268715 | 195976 | 0 | None | - | 0 | Rat | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 403 | 11 | 1 | 3 | 4.4 | CCCCc1ccc(CN(c2ccccc2CCCC(=O)O)S(C)(=O)=O)cc1 | 10.1016/j.bmcl.2009.01.059 | |||
| CHEMBL559760 | 195976 | 0 | None | - | 0 | Rat | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 403 | 11 | 1 | 3 | 4.4 | CCCCc1ccc(CN(c2ccccc2CCCC(=O)O)S(C)(=O)=O)cc1 | 10.1016/j.bmcl.2009.01.059 | |||
| 25114442 | 3061 | 56 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | 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/CHEMBL5210307 | |||
| 5817 | 3061 | 56 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | 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/CHEMBL5210307 | |||
| CHEMBL3286797 | 3061 | 56 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | 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/CHEMBL5210307 | |||
| DB12024 | 3061 | 56 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | 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/CHEMBL5210307 | |||
| 1883 | 3082 | 75 | None | -7 | 24 | Rat | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.bmcl.2009.01.059 | |||
| 1916 | 3082 | 75 | None | -7 | 24 | Rat | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.bmcl.2009.01.059 | |||
| 5280360 | 3082 | 75 | None | -7 | 24 | Rat | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.bmcl.2009.01.059 | |||
| 913 | 3082 | 75 | None | -7 | 24 | Rat | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.bmcl.2009.01.059 | |||
| CHEMBL548 | 3082 | 75 | None | -7 | 24 | Rat | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.bmcl.2009.01.059 | |||
| DB00917 | 3082 | 75 | None | -7 | 24 | Rat | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.bmcl.2009.01.059 | |||
| 1929 | 1605 | 55 | None | - | 2 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 468 | 9 | 1 | 5 | 4.2 | OC(=O)COc1cccc(c1)CN(S(=O)(=O)c1cccnc1)Cc1ccc(cc1)C(C)(C)C | 10.1016/j.bmcl.2009.01.059 | |||
| 9890801 | 1605 | 55 | None | - | 2 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 468 | 9 | 1 | 5 | 4.2 | OC(=O)COc1cccc(c1)CN(S(=O)(=O)c1cccnc1)Cc1ccc(cc1)C(C)(C)C | 10.1016/j.bmcl.2009.01.059 | |||
| CHEMBL563646 | 1605 | 55 | None | - | 2 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 468 | 9 | 1 | 5 | 4.2 | OC(=O)COc1cccc(c1)CN(S(=O)(=O)c1cccnc1)Cc1ccc(cc1)C(C)(C)C | 10.1016/j.bmcl.2009.01.059 | |||
| DB12022 | 1605 | 55 | None | - | 2 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 468 | 9 | 1 | 5 | 4.2 | OC(=O)COc1cccc(c1)CN(S(=O)(=O)c1cccnc1)Cc1ccc(cc1)C(C)(C)C | 10.1016/j.bmcl.2009.01.059 | |||
| 22246895 | 195564 | 0 | None | - | 0 | Rat | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 399 | 14 | 2 | 4 | 3.7 | CCCCC(O)c1ccc(CN(CCCCCCC(=O)O)S(C)(=O)=O)cc1 | 10.1016/j.bmcl.2009.01.059 | |||
| CHEMBL554823 | 195564 | 0 | None | - | 0 | Rat | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 399 | 14 | 2 | 4 | 3.7 | CCCCC(O)c1ccc(CN(CCCCCCC(=O)O)S(C)(=O)=O)cc1 | 10.1016/j.bmcl.2009.01.059 | |||
| 18376196 | 194922 | 0 | None | - | 0 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 466 | 9 | 1 | 4 | 4.8 | CC(C)(C)c1ccc(CN(Cc2cccc(CCC(=O)O)c2)S(=O)(=O)c2ccccn2)cc1 | 10.1016/j.bmcl.2009.01.059 | |||
| CHEMBL541516 | 194922 | 0 | None | - | 0 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 466 | 9 | 1 | 4 | 4.8 | CC(C)(C)c1ccc(CN(Cc2cccc(CCC(=O)O)c2)S(=O)(=O)c2ccccn2)cc1 | 10.1016/j.bmcl.2009.01.059 | |||
| 58681352 | 154339 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 486 | 10 | 3 | 4 | 5.5 | CCCC1(C(O)c2cccc([C@H]3[C@H](O)C[C@@H](Cl)[C@@H]3Cc3cccc(OCC(=O)O)c3)c2)CCC1 | nan | |||
| CHEMBL3986829 | 154339 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 486 | 10 | 3 | 4 | 5.5 | CCCC1(C(O)c2cccc([C@H]3[C@H](O)C[C@@H](Cl)[C@@H]3Cc3cccc(OCC(=O)O)c3)c2)CCC1 | nan | |||
| 122180281 | 121630 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 419 | 4 | 0 | 5 | 5.1 | COc1cc(-n2ccc3cccc(Cl)c32)cc2c1OCCN(Cc1cccnc1)C2 | 10.1021/acs.jmedchem.5b00567 | |||
| CHEMBL3586344 | 121630 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 419 | 4 | 0 | 5 | 5.1 | COc1cc(-n2ccc3cccc(Cl)c32)cc2c1OCCN(Cc1cccnc1)C2 | 10.1021/acs.jmedchem.5b00567 | |||
| 16048029 | 195504 | 0 | None | - | 0 | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 369 | 10 | 1 | 3 | 3.8 | CC(C)(C)c1ccc(CN(CCCCCCC(=O)O)S(C)(=O)=O)cc1 | 10.1016/j.bmcl.2009.01.059 | |||
| CHEMBL553468 | 195504 | 0 | None | - | 0 | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 369 | 10 | 1 | 3 | 3.8 | CC(C)(C)c1ccc(CN(CCCCCCC(=O)O)S(C)(=O)=O)cc1 | 10.1016/j.bmcl.2009.01.059 | |||
| 122180277 | 121626 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 419 | 4 | 0 | 5 | 5.1 | COc1cc(-n2cc(Cl)c3ccccc32)cc2c1OCCN(Cc1cccnc1)C2 | 10.1021/acs.jmedchem.5b00567 | |||
| CHEMBL3586340 | 121626 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 419 | 4 | 0 | 5 | 5.1 | COc1cc(-n2cc(Cl)c3ccccc32)cc2c1OCCN(Cc1cccnc1)C2 | 10.1021/acs.jmedchem.5b00567 | |||
| 122180257 | 121609 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 459 | 5 | 0 | 6 | 5.8 | COC(=O)c1ccc(CN2CCOc3c(cc(-c4csc5ccccc45)cc3OC)C2)cc1 | 10.1021/acs.jmedchem.5b00567 | |||
| CHEMBL3586320 | 121609 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 459 | 5 | 0 | 6 | 5.8 | COC(=O)c1ccc(CN2CCOc3c(cc(-c4csc5ccccc45)cc3OC)C2)cc1 | 10.1021/acs.jmedchem.5b00567 | |||
| 122180258 | 121610 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 426 | 4 | 0 | 5 | 5.8 | COc1cc(-c2csc3ccccc23)cc2c1OCCN(Cc1ccc(C#N)cc1)C2 | 10.1021/acs.jmedchem.5b00567 | |||
| CHEMBL3586321 | 121610 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 426 | 4 | 0 | 5 | 5.8 | COc1cc(-c2csc3ccccc23)cc2c1OCCN(Cc1ccc(C#N)cc1)C2 | 10.1021/acs.jmedchem.5b00567 | |||
| 122180291 | 121641 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 371 | 3 | 1 | 4 | 5.4 | c1cncc(CN2CCNc3ccc(-c4csc5ccccc45)cc3C2)c1 | 10.1021/acs.jmedchem.5b00567 | |||
| CHEMBL3586355 | 121641 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 371 | 3 | 1 | 4 | 5.4 | c1cncc(CN2CCNc3ccc(-c4csc5ccccc45)cc3C2)c1 | 10.1021/acs.jmedchem.5b00567 | |||
| 11955358 | 153082 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 364 | 8 | 2 | 2 | 4.7 | O=C(O)CCCCCC[C@@H]1[C@@H](c2ccc3c(c2)CCC3)[C@H](O)C[C@H]1Cl | nan | |||
| CHEMBL3976116 | 153082 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 364 | 8 | 2 | 2 | 4.7 | O=C(O)CCCCCC[C@@H]1[C@@H](c2ccc3c(c2)CCC3)[C@H](O)C[C@H]1Cl | nan | |||
| 18376082 | 194923 | 0 | None | - | 0 | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 472 | 9 | 1 | 5 | 4.8 | CC(C)(C)c1ccc(CN(Cc2cccc(CCC(=O)O)c2)S(=O)(=O)c2nccs2)cc1 | 10.1016/j.bmcl.2009.01.059 | |||
| CHEMBL541517 | 194923 | 0 | None | - | 0 | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 472 | 9 | 1 | 5 | 4.8 | CC(C)(C)c1ccc(CN(Cc2cccc(CCC(=O)O)c2)S(=O)(=O)c2nccs2)cc1 | 10.1016/j.bmcl.2009.01.059 | |||
| 22246956 | 196319 | 0 | None | - | 0 | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 411 | 15 | 1 | 4 | 4.2 | CCCCCC(=O)c1ccc(CN(CCCCCCC(=O)O)S(C)(=O)=O)cc1 | 10.1016/j.bmcl.2009.01.059 | |||
| CHEMBL562291 | 196319 | 0 | None | - | 0 | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 411 | 15 | 1 | 4 | 4.2 | CCCCCC(=O)c1ccc(CN(CCCCCCC(=O)O)S(C)(=O)=O)cc1 | 10.1016/j.bmcl.2009.01.059 | |||
| 44409917 | 139250 | 0 | None | - | 0 | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 419 | 10 | 2 | 4 | 3.9 | O=C(O)c1ccc(CCCN2C(=O)CC[C@@H]2CCC(O)Cc2cccc(F)c2)s1 | 10.1016/j.bmcl.2006.01.018 | |||
| CHEMBL378968 | 139250 | 0 | None | - | 0 | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 419 | 10 | 2 | 4 | 3.9 | O=C(O)c1ccc(CCCN2C(=O)CC[C@@H]2CCC(O)Cc2cccc(F)c2)s1 | 10.1016/j.bmcl.2006.01.018 | |||
| 122180273 | 121622 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 386 | 4 | 0 | 6 | 3.8 | COc1cc(-n2cnc3ccccc32)cc2c1OCCN(Cc1cccnc1)C2 | 10.1021/acs.jmedchem.5b00567 | |||
| CHEMBL3586336 | 121622 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 386 | 4 | 0 | 6 | 3.8 | COc1cc(-n2cnc3ccccc32)cc2c1OCCN(Cc1cccnc1)C2 | 10.1021/acs.jmedchem.5b00567 | |||
| 11539410 | 90339 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 438 | 5 | 1 | 3 | 5.2 | CCc1ccc(-c2ccc(C(=O)N3CCc4c(c5ccccc5n4CC(=O)O)C3)cc2)cc1 | 10.1021/jm400122f | |||
| CHEMBL2385904 | 90339 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 438 | 5 | 1 | 3 | 5.2 | CCc1ccc(-c2ccc(C(=O)N3CCc4c(c5ccccc5n4CC(=O)O)C3)cc2)cc1 | 10.1021/jm400122f | |||
| 45269576 | 195983 | 0 | None | - | 0 | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 403 | 11 | 1 | 3 | 4.4 | CCCCc1ccc(CN(c2ccc(CCCC(=O)O)cc2)S(C)(=O)=O)cc1 | 10.1016/j.bmcl.2009.01.059 | |||
| CHEMBL559820 | 195983 | 0 | None | - | 0 | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 403 | 11 | 1 | 3 | 4.4 | CCCCc1ccc(CN(c2ccc(CCCC(=O)O)cc2)S(C)(=O)=O)cc1 | 10.1016/j.bmcl.2009.01.059 | |||
| 11653874 | 90359 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 384 | 3 | 1 | 3 | 4.1 | O=C(O)Cn1c2c(c3ccccc31)CN(C(=O)c1cccc3ccccc13)CC2 | 10.1021/jm400122f | |||
| CHEMBL2386079 | 90359 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 384 | 3 | 1 | 3 | 4.1 | O=C(O)Cn1c2c(c3ccccc31)CN(C(=O)c1cccc3ccccc13)CC2 | 10.1021/jm400122f | |||
| 1955 | 16 | 1 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 428 | 13 | 4 | 5 | 3.6 | O[C@@H](COc1cccc(c1)Cl)CC[C@H]1[C@H](O)C[C@@H]([C@@H]1CCCCCCC(=O)O)O | 10.1021/jm990542v | |||
| 5311240 | 16 | 1 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 428 | 13 | 4 | 5 | 3.6 | O[C@@H](COc1cccc(c1)Cl)CC[C@H]1[C@H](O)C[C@@H]([C@@H]1CCCCCCC(=O)O)O | 10.1021/jm990542v | |||
| CHEMBL36041 | 16 | 1 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 428 | 13 | 4 | 5 | 3.6 | O[C@@H](COc1cccc(c1)Cl)CC[C@H]1[C@H](O)C[C@@H]([C@@H]1CCCCCCC(=O)O)O | 10.1021/jm990542v | |||
| 44409733 | 140884 | 0 | None | - | 0 | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 401 | 10 | 2 | 4 | 3.8 | O=C(O)c1ccc(CCCN2C(=O)CC[C@@H]2CCC(O)Cc2ccccc2)s1 | 10.1016/j.bmcl.2006.01.018 | |||
| CHEMBL382029 | 140884 | 0 | None | - | 0 | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 401 | 10 | 2 | 4 | 3.8 | O=C(O)c1ccc(CCCN2C(=O)CC[C@@H]2CCC(O)Cc2ccccc2)s1 | 10.1016/j.bmcl.2006.01.018 | |||
| 30897313 | 121598 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 402 | 4 | 0 | 5 | 5.4 | COc1cc(-c2csc3ccccc23)cc2c1OCCN(Cc1cccnc1)C2 | 10.1021/acs.jmedchem.5b00567 | |||
| CHEMBL3586309 | 121598 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 402 | 4 | 0 | 5 | 5.4 | COc1cc(-c2csc3ccccc23)cc2c1OCCN(Cc1cccnc1)C2 | 10.1021/acs.jmedchem.5b00567 | |||
| 42484632 | 121599 | 5 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 402 | 4 | 0 | 5 | 5.4 | COc1cc(-c2csc3ccccc23)cc2c1OCCN(Cc1ccccn1)C2 | 10.1021/acs.jmedchem.5b00567 | |||
| CHEMBL3586310 | 121599 | 5 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 402 | 4 | 0 | 5 | 5.4 | COc1cc(-c2csc3ccccc23)cc2c1OCCN(Cc1ccccn1)C2 | 10.1021/acs.jmedchem.5b00567 | |||
| 122180270 | 121619 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 380 | 4 | 0 | 4 | 4.8 | COc1cc(-c2cccc(Cl)c2)cc2c1OCCN(Cc1cccnc1)C2 | 10.1021/acs.jmedchem.5b00567 | |||
| CHEMBL3586333 | 121619 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 380 | 4 | 0 | 4 | 4.8 | COc1cc(-c2cccc(Cl)c2)cc2c1OCCN(Cc1cccnc1)C2 | 10.1021/acs.jmedchem.5b00567 | |||
| 22246893 | 195952 | 0 | None | - | 0 | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 371 | 13 | 1 | 4 | 2.7 | CCCCc1ccc(CN(CCCCOCC(=O)O)S(C)(=O)=O)cc1 | 10.1016/j.bmcl.2009.01.059 | |||
| CHEMBL559561 | 195952 | 0 | None | - | 0 | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 371 | 13 | 1 | 4 | 2.7 | CCCCc1ccc(CN(CCCCOCC(=O)O)S(C)(=O)=O)cc1 | 10.1016/j.bmcl.2009.01.059 | |||
| 11524454 | 946 | 55 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 413 | 6 | 2 | 3 | 5.5 | Clc1ccc(c(c1)C(=O)N[C@H](c1ccc(cc1)C(=O)O)C)Oc1ccc(cc1)F | 10.1016/j.bmcl.2017.01.067 | |||
| 5857 | 946 | 55 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 413 | 6 | 2 | 3 | 5.5 | Clc1ccc(c(c1)C(=O)N[C@H](c1ccc(cc1)C(=O)O)C)Oc1ccc(cc1)F | 10.1016/j.bmcl.2017.01.067 | |||
| CHEMBL591666 | 946 | 55 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 413 | 6 | 2 | 3 | 5.5 | Clc1ccc(c(c1)C(=O)N[C@H](c1ccc(cc1)C(=O)O)C)Oc1ccc(cc1)F | 10.1016/j.bmcl.2017.01.067 | |||
| 68505327 | 90360 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 418 | 3 | 1 | 3 | 4.7 | O=C(O)Cn1c2c(c3cc(Cl)ccc31)CN(C(=O)c1cccc3ccccc13)CC2 | 10.1021/jm400122f | |||
| CHEMBL2386080 | 90360 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 418 | 3 | 1 | 3 | 4.7 | O=C(O)Cn1c2c(c3cc(Cl)ccc31)CN(C(=O)c1cccc3ccccc13)CC2 | 10.1021/jm400122f | |||
| 44564892 | 180522 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 554 | 6 | 1 | 5 | 6.2 | Cn1cc(/C=C/C(=O)NS(=O)(=O)c2cc(F)c(F)cc2F)c2c(Oc3ccc(Cl)c(Cl)c3)cccc21 | 10.1016/j.bmcl.2008.12.112 | |||
| CHEMBL475348 | 180522 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 554 | 6 | 1 | 5 | 6.2 | Cn1cc(/C=C/C(=O)NS(=O)(=O)c2cc(F)c(F)cc2F)c2c(Oc3ccc(Cl)c(Cl)c3)cccc21 | 10.1016/j.bmcl.2008.12.112 | |||
| 10126807 | 195098 | 0 | None | - | 0 | Rat | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 405 | 8 | 1 | 4 | 3.4 | CC(C)(C)c1ccc(CN(Cc2cccc(OCC(=O)O)c2)S(C)(=O)=O)cc1 | 10.1016/j.bmcl.2009.01.059 | |||
| CHEMBL549869 | 195098 | 0 | None | - | 0 | Rat | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 405 | 8 | 1 | 4 | 3.4 | CC(C)(C)c1ccc(CN(Cc2cccc(OCC(=O)O)c2)S(C)(=O)=O)cc1 | 10.1016/j.bmcl.2009.01.059 | |||
| 56927669 | 121645 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 423 | 3 | 1 | 4 | 4.5 | O=c1cc(CN2CCOc3c(Cl)cc(-n4ccc5cc(F)ccc54)cc3C2)cc[nH]1 | 10.1021/acs.jmedchem.5b00567 | |||
| CHEMBL3586360 | 121645 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 423 | 3 | 1 | 4 | 4.5 | O=c1cc(CN2CCOc3c(Cl)cc(-n4ccc5cc(F)ccc54)cc3C2)cc[nH]1 | 10.1021/acs.jmedchem.5b00567 | |||
| 122180296 | 121646 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 436 | 3 | 1 | 4 | 5.7 | C[C@@H]1COc2c(Cl)cc(-c3csc4ccccc34)cc2CN1Cc1cc[nH]c(=O)c1 | 10.1021/acs.jmedchem.5b00567 | |||
| CHEMBL3586361 | 121646 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 436 | 3 | 1 | 4 | 5.7 | C[C@@H]1COc2c(Cl)cc(-c3csc4ccccc34)cc2CN1Cc1cc[nH]c(=O)c1 | 10.1021/acs.jmedchem.5b00567 | |||
| 122180279 | 121628 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 419 | 4 | 0 | 5 | 5.1 | COc1cc(-n2ccc3cc(Cl)ccc32)cc2c1OCCN(Cc1cccnc1)C2 | 10.1021/acs.jmedchem.5b00567 | |||
| CHEMBL3586342 | 121628 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 419 | 4 | 0 | 5 | 5.1 | COc1cc(-n2ccc3cc(Cl)ccc32)cc2c1OCCN(Cc1cccnc1)C2 | 10.1021/acs.jmedchem.5b00567 | |||
| 122180289 | 121639 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 406 | 3 | 0 | 4 | 6.0 | Clc1cc(-c2csc3ccccc23)cc2c1OCCN(Cc1cccnc1)C2 | 10.1021/acs.jmedchem.5b00567 | |||
| CHEMBL3586353 | 121639 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 406 | 3 | 0 | 4 | 6.0 | Clc1cc(-c2csc3ccccc23)cc2c1OCCN(Cc1cccnc1)C2 | 10.1021/acs.jmedchem.5b00567 | |||
| 122180280 | 121629 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 419 | 4 | 0 | 5 | 5.1 | COc1cc(-n2ccc3ccc(Cl)cc32)cc2c1OCCN(Cc1cccnc1)C2 | 10.1021/acs.jmedchem.5b00567 | |||
| CHEMBL3586343 | 121629 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 419 | 4 | 0 | 5 | 5.1 | COc1cc(-n2ccc3ccc(Cl)cc32)cc2c1OCCN(Cc1cccnc1)C2 | 10.1021/acs.jmedchem.5b00567 | |||
| 22246765 | 195198 | 0 | None | - | 0 | Rat | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 403 | 11 | 1 | 3 | 3.7 | CCCCc1ccc(CN(CCc2ccc(CC(=O)O)cc2)S(C)(=O)=O)cc1 | 10.1016/j.bmcl.2009.01.059 | |||
| CHEMBL550619 | 195198 | 0 | None | - | 0 | Rat | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 403 | 11 | 1 | 3 | 3.7 | CCCCc1ccc(CN(CCc2ccc(CC(=O)O)cc2)S(C)(=O)=O)cc1 | 10.1016/j.bmcl.2009.01.059 | |||
| 44409918 | 165973 | 0 | None | - | 0 | Rat | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 435 | 10 | 2 | 4 | 4.4 | O=C(O)c1ccc(CCCN2C(=O)CC[C@@H]2CCC(O)Cc2ccc(Cl)cc2)s1 | 10.1016/j.bmcl.2006.01.018 | |||
| CHEMBL425243 | 165973 | 0 | None | - | 0 | Rat | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 435 | 10 | 2 | 4 | 4.4 | O=C(O)c1ccc(CCCN2C(=O)CC[C@@H]2CCC(O)Cc2ccc(Cl)cc2)s1 | 10.1016/j.bmcl.2006.01.018 | |||
| 11955236 | 146456 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 396 | 10 | 3 | 3 | 4.5 | CC(C)(CO)c1ccc([C@H]2[C@H](O)C[C@@H](Cl)[C@@H]2CCCCCCC(=O)O)cc1 | nan | |||
| CHEMBL3922121 | 146456 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 396 | 10 | 3 | 3 | 4.5 | CC(C)(CO)c1ccc([C@H]2[C@H](O)C[C@@H](Cl)[C@@H]2CCCCCCC(=O)O)cc1 | nan | |||
| 122180283 | 121632 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 403 | 4 | 0 | 5 | 4.6 | COc1cc(-n2ccc3cc(F)ccc32)cc2c1OCCN(Cc1cccnc1)C2 | 10.1021/acs.jmedchem.5b00567 | |||
| CHEMBL3586346 | 121632 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 403 | 4 | 0 | 5 | 4.6 | COc1cc(-n2ccc3cc(F)ccc32)cc2c1OCCN(Cc1cccnc1)C2 | 10.1021/acs.jmedchem.5b00567 | |||
| 45268713 | 195951 | 0 | None | - | 0 | Rat | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 351 | 15 | 2 | 4 | 2.6 | CCCCCC(O)CCCN(CCCCCC(=O)O)S(C)(=O)=O | 10.1016/j.bmcl.2009.01.059 | |||
| CHEMBL559560 | 195951 | 0 | None | - | 0 | Rat | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 351 | 15 | 2 | 4 | 2.6 | CCCCCC(O)CCCN(CCCCCC(=O)O)S(C)(=O)=O | 10.1016/j.bmcl.2009.01.059 | |||
| 10223499 | 196341 | 0 | None | - | 0 | Rat | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 413 | 15 | 2 | 4 | 4.1 | CCCCCC(O)c1ccc(CN(CCCCCCC(=O)O)S(C)(=O)=O)cc1 | 10.1016/j.bmcl.2009.01.059 | |||
| CHEMBL562411 | 196341 | 0 | None | - | 0 | Rat | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 413 | 15 | 2 | 4 | 4.1 | CCCCCC(O)c1ccc(CN(CCCCCCC(=O)O)S(C)(=O)=O)cc1 | 10.1016/j.bmcl.2009.01.059 | |||
| 44564893 | 180523 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 554 | 6 | 1 | 5 | 6.2 | Cn1cc(/C=C/C(=O)NS(=O)(=O)c2cc(F)c(F)cc2F)c2c(Oc3ccc(Cl)cc3Cl)cccc21 | 10.1016/j.bmcl.2008.12.112 | |||
| CHEMBL475349 | 180523 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 554 | 6 | 1 | 5 | 6.2 | Cn1cc(/C=C/C(=O)NS(=O)(=O)c2cc(F)c(F)cc2F)c2c(Oc3ccc(Cl)cc3Cl)cccc21 | 10.1016/j.bmcl.2008.12.112 | |||
| 71733912 | 90338 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 430 | 5 | 1 | 3 | 4.5 | O=C(O)Cn1c2c(c3cc(F)ccc31)CN(C(=O)CCc1cccc3ccccc13)CC2 | 10.1021/jm400122f | |||
| CHEMBL2385903 | 90338 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 430 | 5 | 1 | 3 | 4.5 | O=C(O)Cn1c2c(c3cc(F)ccc31)CN(C(=O)CCc1cccc3ccccc13)CC2 | 10.1021/jm400122f | |||
| 44564804 | 176700 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 536 | 6 | 1 | 5 | 6.1 | Cn1cc(/C=C/C(=O)NS(=O)(=O)c2ccc(F)c(F)c2)c2c(Oc3ccc(Cl)cc3Cl)cccc21 | 10.1016/j.bmcl.2008.12.112 | |||
| CHEMBL459885 | 176700 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 536 | 6 | 1 | 5 | 6.1 | Cn1cc(/C=C/C(=O)NS(=O)(=O)c2ccc(F)c(F)c2)c2c(Oc3ccc(Cl)cc3Cl)cccc21 | 10.1016/j.bmcl.2008.12.112 | |||
| 25114442 | 3061 | 56 | None | - | 1 | Human | 8.7 | pKd | = | 8.7 | 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/CHEMBL5210121 | |||
| 5817 | 3061 | 56 | None | - | 1 | Human | 8.7 | pKd | = | 8.7 | 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/CHEMBL5210121 | |||
| CHEMBL3286797 | 3061 | 56 | None | - | 1 | Human | 8.7 | pKd | = | 8.7 | 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/CHEMBL5210121 | |||
| DB12024 | 3061 | 56 | None | - | 1 | Human | 8.7 | pKd | = | 8.7 | 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/CHEMBL5210121 | |||
| CHEMBL5281349 | 194110 | 0 | None | - | 1 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 1581 | 31 | 10 | 14 | 8.1 | CC(C)C[C@H]1CN(CC(=O)NCCC(=O)N[C@@H](CCCCNC(=S)Nc2ccccc2)C(N)=O)C(=O)CCSCc2ccc(cc2)C(=O)N[C@@H](CC(C)C)CN(C(=O)CC2CC2)CC(=O)N[C@@H](CCCCN)CN(C(=O)CCc2ccccc2)CC(=O)N[C@@H](Cc2ccccc2)CN(C(=O)CCC2CCCCC2)CC(=O)N1 | 10.1016/j.bmcl.2023.129255 | |||
| CHEMBL5279002 | 194009 | 0 | None | - | 1 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 1921 | 33 | 12 | 18 | 12.0 | CC(C)C[C@H]1CN(CC(=O)NCCC(=O)N[C@@H](CCCCNC(=S)Nc2ccc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)c2)C(N)=O)C(=O)CCSCc2ccc(cc2)C(=O)N[C@@H](CCCCN)CN(C(=O)CCc2ccccc2)CC(=O)N[C@@H](CC(C)C)CN(C(=O)CCC2CCCCC2)CC(=O)N[C@@H](Cc2ccccc2)CN(C(=O)Cc2ccc3ccccc3c2)CC(=O)N1 | 10.1016/j.bmcl.2023.129255 | |||
| 46213069 | 3063 | 0 | None | 1905 | 3 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 456 | 7 | 1 | 5 | 4.2 | COc1ccc(cc1)C(=O)N1CCC(C1)(COc1ccc(cc1)c1ccc(cc1)C#N)C(=O)O | 10.1021/acs.jmedchem.1c00816 | |||
| 8538 | 3063 | 0 | None | 1905 | 3 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 456 | 7 | 1 | 5 | 4.2 | COc1ccc(cc1)C(=O)N1CCC(C1)(COc1ccc(cc1)c1ccc(cc1)C#N)C(=O)O | 10.1021/acs.jmedchem.1c00816 | |||
| CHEMBL5285583 | 3063 | 0 | None | 1905 | 3 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 456 | 7 | 1 | 5 | 4.2 | COc1ccc(cc1)C(=O)N1CCC(C1)(COc1ccc(cc1)c1ccc(cc1)C#N)C(=O)O | 10.1021/acs.jmedchem.1c00816 | |||
| 9807448 | 203172 | 0 | None | 1 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 398 | 11 | 3 | 3 | 4.7 | CCC1([C@@H](O)C/C=C/[C@H]2[C@H](O)C[C@@H](Cl)[C@@H]2C/C=C\CCCC(=O)O)CCC1 | 10.1016/s0960-894x(01)00359-6 | |||
| CHEMBL64246 | 203172 | 0 | None | 1 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 398 | 11 | 3 | 3 | 4.7 | CCC1([C@@H](O)C/C=C/[C@H]2[C@H](O)C[C@@H](Cl)[C@@H]2C/C=C\CCCC(=O)O)CCC1 | 10.1016/s0960-894x(01)00359-6 | |||
| 1883 | 3082 | 75 | None | -6 | 24 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1021/acs.jmedchem.9b00336 | |||
| 1916 | 3082 | 75 | None | -6 | 24 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1021/acs.jmedchem.9b00336 | |||
| 5280360 | 3082 | 75 | None | -6 | 24 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1021/acs.jmedchem.9b00336 | |||
| 913 | 3082 | 75 | None | -6 | 24 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1021/acs.jmedchem.9b00336 | |||
| CHEMBL548 | 3082 | 75 | None | -6 | 24 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1021/acs.jmedchem.9b00336 | |||
| DB00917 | 3082 | 75 | None | -6 | 24 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1021/acs.jmedchem.9b00336 | |||
| 51039069 | 129203 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 419 | 6 | 4 | 4 | 4.1 | O=C(NO)c1ccc(CNC(=O)c2[nH]c(-c3ccoc3)cc2-c2ccc(F)cc2)cc1 | nan | |||
| CHEMBL3670659 | 129203 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 419 | 6 | 4 | 4 | 4.1 | O=C(NO)c1ccc(CNC(=O)c2[nH]c(-c3ccoc3)cc2-c2ccc(F)cc2)cc1 | nan | |||
| 51039071 | 129207 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 419 | 6 | 4 | 4 | 4.1 | O=C(NO)c1ccc(CNC(=O)c2[nH]c(-c3ccccc3)cc2-c2ccc(F)cc2)o1 | nan | |||
| CHEMBL3670663 | 129207 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 419 | 6 | 4 | 4 | 4.1 | O=C(NO)c1ccc(CNC(=O)c2[nH]c(-c3ccccc3)cc2-c2ccc(F)cc2)o1 | nan | |||
| 10481859 | 75167 | 0 | None | -4 | 3 | Mouse | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 522 | 10 | 2 | 6 | 5.4 | Cc1ccc(-c2cccc(C[C@H](O)/C=C/[C@H]3CCC(=O)N3CCSc3nc(C(=O)O)cs3)c2)cc1C | 10.1016/j.bmc.2012.04.008 | |||
| CHEMBL2036321 | 75167 | 0 | None | -4 | 3 | Mouse | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 522 | 10 | 2 | 6 | 5.4 | Cc1ccc(-c2cccc(C[C@H](O)/C=C/[C@H]3CCC(=O)N3CCSc3nc(C(=O)O)cs3)c2)cc1C | 10.1016/j.bmc.2012.04.008 | |||
| 1932 | 2942 | 5 | None | 1 | 6 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 410 | 12 | 3 | 3 | 4.8 | C=CCC1(CCC1)[C@H](C/C=C/[C@H]1[C@H](O)C[C@H]([C@@H]1C/C=C\CCCC(=O)O)Cl)O | 10.1021/jm401431x | |||
| 5311228 | 2942 | 5 | None | 1 | 6 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 410 | 12 | 3 | 3 | 4.8 | C=CCC1(CCC1)[C@H](C/C=C/[C@H]1[C@H](O)C[C@H]([C@@H]1C/C=C\CCCC(=O)O)Cl)O | 10.1021/jm401431x | |||
| CHEMBL3286796 | 2942 | 5 | None | 1 | 6 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 410 | 12 | 3 | 3 | 4.8 | C=CCC1(CCC1)[C@H](C/C=C/[C@H]1[C@H](O)C[C@H]([C@@H]1C/C=C\CCCC(=O)O)Cl)O | 10.1021/jm401431x | |||
| 1883 | 3082 | 75 | None | -6 | 24 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.ejmech.2013.01.044 | |||
| 1916 | 3082 | 75 | None | -6 | 24 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.ejmech.2013.01.044 | |||
| 5280360 | 3082 | 75 | None | -6 | 24 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.ejmech.2013.01.044 | |||
| 913 | 3082 | 75 | None | -6 | 24 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.ejmech.2013.01.044 | |||
| CHEMBL548 | 3082 | 75 | None | -6 | 24 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.ejmech.2013.01.044 | |||
| DB00917 | 3082 | 75 | None | -6 | 24 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.ejmech.2013.01.044 | |||
| 57384034 | 71307 | 0 | None | -2 | 3 | Mouse | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 528 | 10 | 2 | 6 | 5.4 | O=C(O)c1csc(SCCN2C(=O)CC[C@@H]2/C=C/[C@@H](O)Cc2cccc(-c3ccc(Cl)cc3)c2)n1 | 10.1016/j.bmc.2012.02.018 | |||
| CHEMBL1957436 | 71307 | 0 | None | -2 | 3 | Mouse | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 528 | 10 | 2 | 6 | 5.4 | O=C(O)c1csc(SCCN2C(=O)CC[C@@H]2/C=C/[C@@H](O)Cc2cccc(-c3ccc(Cl)cc3)c2)n1 | 10.1016/j.bmc.2012.02.018 | |||
| 57384034 | 71307 | 0 | None | -2 | 3 | Mouse | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 528 | 10 | 2 | 6 | 5.4 | O=C(O)c1csc(SCCN2C(=O)CC[C@@H]2/C=C/[C@@H](O)Cc2cccc(-c3ccc(Cl)cc3)c2)n1 | 10.1016/j.bmc.2012.04.008 | |||
| CHEMBL1957436 | 71307 | 0 | None | -2 | 3 | Mouse | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 528 | 10 | 2 | 6 | 5.4 | O=C(O)c1csc(SCCN2C(=O)CC[C@@H]2/C=C/[C@@H](O)Cc2cccc(-c3ccc(Cl)cc3)c2)n1 | 10.1016/j.bmc.2012.04.008 | |||
| 67078793 | 129197 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 287 | 3 | 2 | 2 | 4.2 | O=C(O)c1[nH]c(-c2cccs2)cc1-c1ccc(F)cc1 | nan | |||
| CHEMBL3670653 | 129197 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 287 | 3 | 2 | 2 | 4.2 | O=C(O)c1[nH]c(-c2cccs2)cc1-c1ccc(F)cc1 | nan | |||
| 18376177 | 3753 | 50 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 478 | 10 | 1 | 7 | 3.1 | OC(=O)COc1cccc(c1)CN(S(=O)(=O)c1cccnc1)Cc1ccc(cc1)n1cccn1 | 10.1021/jm401431x | |||
| 5816 | 3753 | 50 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 478 | 10 | 1 | 7 | 3.1 | OC(=O)COc1cccc(c1)CN(S(=O)(=O)c1cccnc1)Cc1ccc(cc1)n1cccn1 | 10.1021/jm401431x | |||
| CHEMBL2107783 | 3753 | 50 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 478 | 10 | 1 | 7 | 3.1 | OC(=O)COc1cccc(c1)CN(S(=O)(=O)c1cccnc1)Cc1ccc(cc1)n1cccn1 | 10.1021/jm401431x | |||
| DB12623 | 3753 | 50 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 478 | 10 | 1 | 7 | 3.1 | OC(=O)COc1cccc(c1)CN(S(=O)(=O)c1cccnc1)Cc1ccc(cc1)n1cccn1 | 10.1021/jm401431x | |||
| 11855865 | 153277 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 445 | 12 | 2 | 5 | 5.2 | CCCCCCC(O)c1ccc(N2C(=O)CC[C@@H]2COCc2ccc(C(=O)O)s2)cc1 | nan | |||
| CHEMBL3977724 | 153277 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 445 | 12 | 2 | 5 | 5.2 | CCCCCCC(O)c1ccc(N2C(=O)CC[C@@H]2COCc2ccc(C(=O)O)s2)cc1 | nan | |||
| 10116114 | 125886 | 0 | None | -28 | 8 | Mouse | 7.0 | pKi | = | 7 | Binding | ChEMBL | 470 | 6 | 1 | 6 | 4.5 | Cc1cc2c(CC(=O)O)cccc2n1C(=O)c1ccc(OC[C@@H]2CN(C)c3ccccc3O2)cc1 | 10.1016/j.bmcl.2004.07.039 | |||
| CHEMBL364841 | 125886 | 0 | None | -28 | 8 | Mouse | 7.0 | pKi | = | 7 | Binding | ChEMBL | 470 | 6 | 1 | 6 | 4.5 | Cc1cc2c(CC(=O)O)cccc2n1C(=O)c1ccc(OC[C@@H]2CN(C)c3ccccc3O2)cc1 | 10.1016/j.bmcl.2004.07.039 | |||
| 13231966 | 100951 | 0 | None | -141 | 5 | Mouse | 7.0 | pKi | = | 7 | Binding | ChEMBL | 372 | 13 | 3 | 5 | 3.2 | CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1SCCCCCC(=O)O | 10.1016/s0960-894x(01)00365-1 | |||
| CHEMBL294108 | 100951 | 0 | None | -141 | 5 | Mouse | 7.0 | pKi | = | 7 | Binding | ChEMBL | 372 | 13 | 3 | 5 | 3.2 | CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1SCCCCCC(=O)O | 10.1016/s0960-894x(01)00365-1 | |||
| 13231966 | 100951 | 0 | None | -141 | 5 | Mouse | 7.0 | pKi | = | 7 | Binding | ChEMBL | 372 | 13 | 3 | 5 | 3.2 | CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1SCCCCCC(=O)O | 10.1016/s0960-894x(01)00364-x | |||
| CHEMBL294108 | 100951 | 0 | None | -141 | 5 | Mouse | 7.0 | pKi | = | 7 | Binding | ChEMBL | 372 | 13 | 3 | 5 | 3.2 | CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1SCCCCCC(=O)O | 10.1016/s0960-894x(01)00364-x | |||
| 44455046 | 95727 | 0 | None | -50118 | 2 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 413 | 8 | 2 | 3 | 3.7 | O=C(O)c1ccc(CCN2C(=O)CC[C@@H]2/C=C/[C@@H](O)Cc2cccc(Cl)c2)cc1 | 10.1016/j.bmcl.2007.11.020 | |||
| CHEMBL258332 | 95727 | 0 | None | -50118 | 2 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 413 | 8 | 2 | 3 | 3.7 | O=C(O)c1ccc(CCN2C(=O)CC[C@@H]2/C=C/[C@@H](O)Cc2cccc(Cl)c2)cc1 | 10.1016/j.bmcl.2007.11.020 | |||
| 44304057 | 203259 | 0 | None | -288 | 4 | Mouse | 6.0 | pKi | = | 6 | Binding | ChEMBL | 390 | 13 | 3 | 6 | 2.6 | CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CSCCSCC(=O)O | 10.1016/s0960-894x(01)00364-x | |||
| CHEMBL64598 | 203259 | 0 | None | -288 | 4 | Mouse | 6.0 | pKi | = | 6 | Binding | ChEMBL | 390 | 13 | 3 | 6 | 2.6 | CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CSCCSCC(=O)O | 10.1016/s0960-894x(01)00364-x | |||
| 10181606 | 206351 | 0 | None | -645 | 7 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 437 | 5 | 1 | 4 | 5.2 | O=C(/C=C/c1ccccc1-c1ccc(Cl)c(Cl)c1)NS(=O)(=O)c1cccs1 | 10.1016/s0960-894x(03)00794-7 | |||
| CHEMBL87371 | 206351 | 0 | None | -645 | 7 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 437 | 5 | 1 | 4 | 5.2 | O=C(/C=C/c1ccccc1-c1ccc(Cl)c(Cl)c1)NS(=O)(=O)c1cccs1 | 10.1016/s0960-894x(03)00794-7 | |||
| 118517483 | 144271 | 0 | None | -93 | 2 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 396 | 8 | 2 | 3 | 4.2 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2ccccc2F)cc1 | nan | |||
| CHEMBL3904946 | 144271 | 0 | None | -93 | 2 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 396 | 8 | 2 | 3 | 4.2 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2ccccc2F)cc1 | nan | |||
| 71455094 | 81881 | 0 | None | -407 | 4 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 623 | 12 | 1 | 8 | 6.4 | COc1cc(C/C=C/c2ccccc2/C=C/C(=O)NS(=O)(=O)c2cccs2)ccc1OCCn1cc2ccccc2c1C#N | 10.1021/ml300191g | |||
| CHEMBL2164609 | 81881 | 0 | None | -407 | 4 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 623 | 12 | 1 | 8 | 6.4 | COc1cc(C/C=C/c2ccccc2/C=C/C(=O)NS(=O)(=O)c2cccs2)ccc1OCCn1cc2ccccc2c1C#N | 10.1021/ml300191g | |||
| 44303627 | 203205 | 0 | None | 467 | 2 | Mouse | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 364 | 11 | 3 | 3 | 4.5 | CCC1([C@@H](O)C/C=C/[C@H]2[C@H](O)CC[C@@H]2C/C=C\CCCC(=O)O)CCC1 | 10.1016/s0960-894x(01)00359-6 | |||
| CHEMBL64358 | 203205 | 0 | None | 467 | 2 | Mouse | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 364 | 11 | 3 | 3 | 4.5 | CCC1([C@@H](O)C/C=C/[C@H]2[C@H](O)CC[C@@H]2C/C=C\CCCC(=O)O)CCC1 | 10.1016/s0960-894x(01)00359-6 | |||
| 5311035 | 97803 | 29 | None | -4 | 9 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 408 | 13 | 2 | 5 | 4.3 | CCCC1([C@H](O)C/C=C/[C@H]2[C@H](O)CC(=O)[C@@H]2CCCCCCC(=O)OC)CCC1 | 10.1016/j.bmcl.2007.09.074 | |||
| CHEMBL271896 | 97803 | 29 | None | -4 | 9 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 408 | 13 | 2 | 5 | 4.3 | CCCC1([C@H](O)C/C=C/[C@H]2[C@H](O)CC(=O)[C@@H]2CCCCCCC(=O)OC)CCC1 | 10.1016/j.bmcl.2007.09.074 | |||
| 52941778 | 16542 | 0 | None | -1 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 712 | 14 | 2 | 4 | 11.7 | O=C(O)/C=C/c1ccccc1/C=C/Cc1ccccc1Oc1ccccc1.O=C(O)/C=C/c1ccccc1C/C=C\c1ccccc1Oc1ccccc1 | 10.1016/j.bmcl.2004.11.051 | |||
| CHEMBL1237304 | 16542 | 0 | None | -1 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 712 | 14 | 2 | 4 | 11.7 | O=C(O)/C=C/c1ccccc1/C=C/Cc1ccccc1Oc1ccccc1.O=C(O)/C=C/c1ccccc1C/C=C\c1ccccc1Oc1ccccc1 | 10.1016/j.bmcl.2004.11.051 | |||
| 5311035 | 97803 | 29 | None | -4 | 9 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 408 | 13 | 2 | 5 | 4.3 | CCCC1([C@H](O)C/C=C/[C@H]2[C@H](O)CC(=O)[C@@H]2CCCCCCC(=O)OC)CCC1 | 10.1016/j.bmcl.2007.11.020 | |||
| CHEMBL271896 | 97803 | 29 | None | -4 | 9 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 408 | 13 | 2 | 5 | 4.3 | CCCC1([C@H](O)C/C=C/[C@H]2[C@H](O)CC(=O)[C@@H]2CCCCCCC(=O)OC)CCC1 | 10.1016/j.bmcl.2007.11.020 | |||
| 44390782 | 64603 | 0 | None | -57 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 402 | 10 | 1 | 3 | 5.5 | COc1cccc(CCCc2ccccc2/C=C/C(=O)O)c1OCc1ccccc1 | 10.1016/j.bmcl.2004.11.051 | |||
| CHEMBL181691 | 64603 | 0 | None | -57 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 402 | 10 | 1 | 3 | 5.5 | COc1cccc(CCCc2ccccc2/C=C/C(=O)O)c1OCc1ccccc1 | 10.1016/j.bmcl.2004.11.051 | |||
| 44303907 | 202741 | 0 | None | - | 1 | Mouse | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 390 | 10 | 3 | 4 | 3.5 | CCCC1([C@@H](O)C/C=C/C2[C@H](O)CC(=O)[C@@H]2CC#CCCCC(=O)O)CCC1 | 10.1016/s0960-894x(01)00359-6 | |||
| CHEMBL61925 | 202741 | 0 | None | - | 1 | Mouse | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 390 | 10 | 3 | 4 | 3.5 | CCCC1([C@@H](O)C/C=C/C2[C@H](O)CC(=O)[C@@H]2CC#CCCCC(=O)O)CCC1 | 10.1016/s0960-894x(01)00359-6 | |||
| 10431288 | 69366 | 0 | None | -1318 | 3 | Mouse | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 403 | 12 | 2 | 3 | 4.5 | CCc1cccc(C[C@H](O)/C=C/[C@H]2CCC(=S)N2CCCCCCC(=O)O)c1 | 10.1016/j.bmc.2011.12.009 | |||
| CHEMBL1929546 | 69366 | 0 | None | -1318 | 3 | Mouse | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 403 | 12 | 2 | 3 | 4.5 | CCc1cccc(C[C@H](O)/C=C/[C@H]2CCC(=S)N2CCCCCCC(=O)O)c1 | 10.1016/j.bmc.2011.12.009 | |||
| 46201043 | 200582 | 0 | None | -5011 | 3 | Mouse | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 453 | 9 | 2 | 3 | 5.9 | C[C@@H](NC(=O)c1cc(COc2ccccc2)ccc1CCC(=O)O)c1cccc2ccccc12 | 10.1016/j.bmc.2009.11.023 | |||
| CHEMBL599154 | 200582 | 0 | None | -5011 | 3 | Mouse | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 453 | 9 | 2 | 3 | 5.9 | C[C@@H](NC(=O)c1cc(COc2ccccc2)ccc1CCC(=O)O)c1cccc2ccccc12 | 10.1016/j.bmc.2009.11.023 | |||
| 9939791 | 161918 | 0 | None | -912 | 8 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 684 | 8 | 1 | 5 | 7.2 | CO[C@](C(=O)NS(=O)(=O)c1ccccc1-c1ccc(CN2C(=O)c3ccccc3CCc3ccccc32)cc1)(c1ccccc1)C(F)(F)F | 10.1016/s0960-894x(99)00465-5 | |||
| CHEMBL415310 | 161918 | 0 | None | -912 | 8 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 684 | 8 | 1 | 5 | 7.2 | CO[C@](C(=O)NS(=O)(=O)c1ccccc1-c1ccc(CN2C(=O)c3ccccc3CCc3ccccc32)cc1)(c1ccccc1)C(F)(F)F | 10.1016/s0960-894x(99)00465-5 | |||
| 9873528 | 206930 | 0 | None | -72 | 4 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 602 | 7 | 1 | 5 | 6.9 | O=C(NS(=O)(=O)c1ccccc1-c1ccc(CN2C(=O)c3ccccc3CCc3ccccc32)cc1)OCc1ccccc1 | 10.1016/s0960-894x(99)00465-5 | |||
| CHEMBL91063 | 206930 | 0 | None | -72 | 4 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 602 | 7 | 1 | 5 | 6.9 | O=C(NS(=O)(=O)c1ccccc1-c1ccc(CN2C(=O)c3ccccc3CCc3ccccc32)cc1)OCc1ccccc1 | 10.1016/s0960-894x(99)00465-5 | |||
| 134155748 | 151169 | 0 | None | 25 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 400 | 12 | 2 | 4 | 4.7 | CCCCCC(=O)c1ccc([C@H]2[C@H](O)CC(=O)[C@@H]2C/C=C\CCCC(=O)O)cc1 | nan | |||
| CHEMBL3959653 | 151169 | 0 | None | 25 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 400 | 12 | 2 | 4 | 4.7 | CCCCCC(=O)c1ccc([C@H]2[C@H](O)CC(=O)[C@@H]2C/C=C\CCCC(=O)O)cc1 | nan | |||
| 11502897 | 142793 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 431 | 11 | 2 | 5 | 4.8 | CCCCCC(O)c1ccc(N2C(=O)CC[C@@H]2COCc2ccc(C(=O)O)s2)cc1 | nan | |||
| CHEMBL3892847 | 142793 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 431 | 11 | 2 | 5 | 4.8 | CCCCCC(O)c1ccc(N2C(=O)CC[C@@H]2COCc2ccc(C(=O)O)s2)cc1 | nan | |||
| 11502897 | 142793 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 431 | 11 | 2 | 5 | 4.8 | CCCCCC(O)c1ccc(N2C(=O)CC[C@@H]2COCc2ccc(C(=O)O)s2)cc1 | nan | |||
| CHEMBL3892847 | 142793 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 431 | 11 | 2 | 5 | 4.8 | CCCCCC(O)c1ccc(N2C(=O)CC[C@@H]2COCc2ccc(C(=O)O)s2)cc1 | nan | |||
| 119461 | 320 | 72 | None | -3 | 10 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 298 | 3 | 1 | 4 | 3.4 | CC(Oc1ccc2c(c1)oc1c(c2=O)cc(cc1)C(=O)O)C | 10.1021/jm401431x | |||
| 1896 | 320 | 72 | None | -3 | 10 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 298 | 3 | 1 | 4 | 3.4 | CC(Oc1ccc2c(c1)oc1c(c2=O)cc(cc1)C(=O)O)C | 10.1021/jm401431x | |||
| CHEMBL1317823 | 320 | 72 | None | -3 | 10 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 298 | 3 | 1 | 4 | 3.4 | CC(Oc1ccc2c(c1)oc1c(c2=O)cc(cc1)C(=O)O)C | 10.1021/jm401431x | |||
| 118517359 | 144396 | 0 | None | -114 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 456 | 8 | 2 | 3 | 4.8 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2cccc(Br)c2)cc1 | nan | |||
| CHEMBL3906016 | 144396 | 0 | None | -114 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 456 | 8 | 2 | 3 | 4.8 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2cccc(Br)c2)cc1 | nan | |||
| 24952927 | 201231 | 0 | None | -851 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 461 | 6 | 2 | 3 | 6.2 | Cc1sc(C)c(C(=O)N[C@@H](C)c2ccc(C(=O)O)cc2)c1Cc1ccc(C(F)(F)F)cc1 | 10.1021/jm901771h | |||
| CHEMBL603690 | 201231 | 0 | None | -851 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 461 | 6 | 2 | 3 | 6.2 | Cc1sc(C)c(C(=O)N[C@@H](C)c2ccc(C(=O)O)cc2)c1Cc1ccc(C(F)(F)F)cc1 | 10.1021/jm901771h | |||
| 44304404 | 100581 | 0 | None | -23 | 4 | Mouse | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 436 | 12 | 3 | 4 | 4.1 | COCc1cccc(C[C@H](O)/C=C/[C@H]2[C@H](O)C[C@@H](Cl)[C@@H]2C/C=C/CCCC(=O)O)c1 | 10.1016/s0960-894x(01)00365-1 | |||
| CHEMBL291630 | 100581 | 0 | None | -23 | 4 | Mouse | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 436 | 12 | 3 | 4 | 4.1 | COCc1cccc(C[C@H](O)/C=C/[C@H]2[C@H](O)C[C@@H](Cl)[C@@H]2C/C=C/CCCC(=O)O)c1 | 10.1016/s0960-894x(01)00365-1 | |||
| 10291963 | 84708 | 0 | None | -74 | 6 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 359 | 10 | 2 | 3 | 3.4 | CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)N1CCc1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2007.11.020 | |||
| CHEMBL222715 | 84708 | 0 | None | -74 | 6 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 359 | 10 | 2 | 3 | 3.4 | CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)N1CCc1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2007.11.020 | |||
| 44520989 | 199764 | 0 | None | -2 | 3 | Mouse | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 396 | 6 | 2 | 4 | 5.0 | Cc1c(C)c2c(c(C)c1O)CCC(C)(CCOc1ccccc1/C=C/C(=O)O)O2 | 10.1016/j.bmc.2009.08.007 | |||
| CHEMBL593764 | 199764 | 0 | None | -2 | 3 | Mouse | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 396 | 6 | 2 | 4 | 5.0 | Cc1c(C)c2c(c(C)c1O)CCC(C)(CCOc1ccccc1/C=C/C(=O)O)O2 | 10.1016/j.bmc.2009.08.007 | |||
| 23016719 | 201220 | 0 | None | -1 | 2 | Mouse | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 424 | 9 | 1 | 3 | 6.1 | O=C(O)/C=C/c1ccc(OCc2ccccc2)cc1OCCc1ccc2ccccc2c1 | 10.1016/j.bmc.2009.08.007 | |||
| CHEMBL603625 | 201220 | 0 | None | -1 | 2 | Mouse | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 424 | 9 | 1 | 3 | 6.1 | O=C(O)/C=C/c1ccc(OCc2ccccc2)cc1OCCc1ccc2ccccc2c1 | 10.1016/j.bmc.2009.08.007 | |||
| 44304055 | 102723 | 0 | None | -371 | 4 | Mouse | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 390 | 13 | 3 | 6 | 2.7 | CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1SCCSCCC(=O)O | 10.1016/s0960-894x(01)00364-x | |||
| CHEMBL304887 | 102723 | 0 | None | -371 | 4 | Mouse | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 390 | 13 | 3 | 6 | 2.7 | CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1SCCSCCC(=O)O | 10.1016/s0960-894x(01)00364-x | |||
| 44304034 | 200594 | 0 | None | -165 | 3 | Mouse | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 424 | 11 | 3 | 6 | 2.7 | Cc1ccc(C[C@H](O)/C=C/[C@H]2[C@H](O)CC(=O)[C@@H]2SCCCSCC(=O)O)cc1 | 10.1016/s0960-894x(01)00364-x | |||
| CHEMBL59921 | 200594 | 0 | None | -165 | 3 | Mouse | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 424 | 11 | 3 | 6 | 2.7 | Cc1ccc(C[C@H](O)/C=C/[C@H]2[C@H](O)CC(=O)[C@@H]2SCCCSCC(=O)O)cc1 | 10.1016/s0960-894x(01)00364-x | |||
| 9817405 | 165403 | 5 | None | -165 | 6 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 288 | 4 | 1 | 1 | 4.5 | O=C(O)/C=C/c1ccccc1Cc1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.08.025 | |||
| CHEMBL423815 | 165403 | 5 | None | -165 | 6 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 288 | 4 | 1 | 1 | 4.5 | O=C(O)/C=C/c1ccccc1Cc1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.08.025 | |||
| 72695027 | 106266 | 0 | None | -28 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 396 | 8 | 2 | 4 | 3.5 | C[C@H](NC(=O)[C@H]1CCCCN1CCOc1ccccc1)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2015.05.091 | |||
| CHEMBL3115074 | 106266 | 0 | None | -28 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 396 | 8 | 2 | 4 | 3.5 | C[C@H](NC(=O)[C@H]1CCCCN1CCOc1ccccc1)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2015.05.091 | |||
| CHEMBL3138992 | 106266 | 0 | None | -28 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 396 | 8 | 2 | 4 | 3.5 | C[C@H](NC(=O)[C@H]1CCCCN1CCOc1ccccc1)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2015.05.091 | |||
| 72706947 | 174664 | 20 | None | -5128 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 363 | 11 | 2 | 3 | 3.4 | CCC#CC[C@H](C)[C@H](O)/C=C/[C@H]1CCC(=O)N1CCCCCCC(=O)O | 10.1021/acs.jmedchem.9b00336 | |||
| CHEMBL4558749 | 174664 | 20 | None | -5128 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 363 | 11 | 2 | 3 | 3.4 | CCC#CC[C@H](C)[C@H](O)/C=C/[C@H]1CCC(=O)N1CCCCCCC(=O)O | 10.1021/acs.jmedchem.9b00336 | |||
| 118517488 | 153711 | 0 | None | -56 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 414 | 8 | 2 | 3 | 4.4 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2cccc(F)c2F)cc1 | nan | |||
| CHEMBL3981554 | 153711 | 0 | None | -56 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 414 | 8 | 2 | 3 | 4.4 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2cccc(F)c2F)cc1 | nan | |||
| 44442327 | 94459 | 0 | None | -147 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 345 | 9 | 2 | 3 | 3.0 | CCCC[C@H](O)/C=C/[C@H]1CCC(=O)N1CCc1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2007.05.025 | |||
| CHEMBL251294 | 94459 | 0 | None | -147 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 345 | 9 | 2 | 3 | 3.0 | CCCC[C@H](O)/C=C/[C@H]1CCC(=O)N1CCc1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2007.05.025 | |||
| 17757350 | 152754 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 413 | 12 | 3 | 4 | 5.1 | CCCCCC(O)c1ccc([C@@H]2[C@@H](C/C=C\CCCC(=O)O)[C@H](C#N)C[C@H]2O)cc1 | nan | |||
| CHEMBL3973347 | 152754 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 413 | 12 | 3 | 4 | 5.1 | CCCCCC(O)c1ccc([C@@H]2[C@@H](C/C=C\CCCC(=O)O)[C@H](C#N)C[C@H]2O)cc1 | nan | |||
| 10112412 | 69468 | 0 | None | -208 | 3 | Mouse | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 413 | 9 | 2 | 4 | 3.8 | Cc1cccc(C[C@H](O)/C=C/[C@H]2CCC(=O)N2CCCc2ccc(C(=O)O)s2)c1 | 10.1016/j.bmcl.2011.10.109 | |||
| CHEMBL1933719 | 69468 | 0 | None | -208 | 3 | Mouse | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 413 | 9 | 2 | 4 | 3.8 | Cc1cccc(C[C@H](O)/C=C/[C@H]2CCC(=O)N2CCCc2ccc(C(=O)O)s2)c1 | 10.1016/j.bmcl.2011.10.109 | |||
| 10112412 | 69468 | 0 | None | -208 | 3 | Mouse | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 413 | 9 | 2 | 4 | 3.8 | Cc1cccc(C[C@H](O)/C=C/[C@H]2CCC(=O)N2CCCc2ccc(C(=O)O)s2)c1 | 10.1016/j.bmc.2012.02.018 | |||
| CHEMBL1933719 | 69468 | 0 | None | -208 | 3 | Mouse | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 413 | 9 | 2 | 4 | 3.8 | Cc1cccc(C[C@H](O)/C=C/[C@H]2CCC(=O)N2CCCc2ccc(C(=O)O)s2)c1 | 10.1016/j.bmc.2012.02.018 | |||
| 118517489 | 143691 | 0 | None | -44 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 414 | 8 | 2 | 3 | 4.4 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2cc(F)ccc2F)cc1 | nan | |||
| CHEMBL3900245 | 143691 | 0 | None | -44 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 414 | 8 | 2 | 3 | 4.4 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2cc(F)ccc2F)cc1 | nan | |||
| 51039070 | 129204 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 433 | 6 | 5 | 5 | 4.2 | O=C(NO)c1ccc(CNC(=O)c2[nH]c(-c3cccs3)cc2-c2ccc(O)cc2)cc1 | nan | |||
| CHEMBL3670660 | 129204 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 433 | 6 | 5 | 5 | 4.2 | O=C(NO)c1ccc(CNC(=O)c2[nH]c(-c3cccs3)cc2-c2ccc(O)cc2)cc1 | nan | |||
| 44303626 | 168182 | 0 | None | - | 1 | Mouse | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 398 | 11 | 3 | 3 | 4.7 | CCC1([C@@H](O)C/C=C/[C@H]2[C@H](O)C[C@H](Cl)[C@@H]2C/C=C\CCCC(=O)O)CCC1 | 10.1016/s0960-894x(01)00359-6 | |||
| CHEMBL433249 | 168182 | 0 | None | - | 1 | Mouse | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 398 | 11 | 3 | 3 | 4.7 | CCC1([C@@H](O)C/C=C/[C@H]2[C@H](O)C[C@H](Cl)[C@@H]2C/C=C\CCCC(=O)O)CCC1 | 10.1016/s0960-894x(01)00359-6 | |||
| 57400249 | 69477 | 0 | None | 3 | 3 | Mouse | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 410 | 9 | 2 | 6 | 3.4 | O=C(O)c1csc(SCCN2C(=O)CC[C@@H]2/C=C/[C@@H](O)CC2CCCC2)n1 | 10.1016/j.bmcl.2011.10.109 | |||
| CHEMBL1933728 | 69477 | 0 | None | 3 | 3 | Mouse | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 410 | 9 | 2 | 6 | 3.4 | O=C(O)c1csc(SCCN2C(=O)CC[C@@H]2/C=C/[C@@H](O)CC2CCCC2)n1 | 10.1016/j.bmcl.2011.10.109 | |||
| 10291963 | 84708 | 0 | None | -74 | 6 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 359 | 10 | 2 | 3 | 3.4 | CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)N1CCc1ccc(C(=O)O)cc1 | 10.1021/jm049290a | |||
| CHEMBL222715 | 84708 | 0 | None | -74 | 6 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 359 | 10 | 2 | 3 | 3.4 | CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)N1CCc1ccc(C(=O)O)cc1 | 10.1021/jm049290a | |||
| 11315933 | 123294 | 4 | None | -707 | 5 | Mouse | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 413 | 7 | 1 | 4 | 4.9 | Cc1cc2c(CC(=O)O)cccc2n1C(=O)c1ccc(OCCc2ccccc2)cc1 | 10.1016/j.bmcl.2004.07.039 | |||
| CHEMBL361457 | 123294 | 4 | None | -707 | 5 | Mouse | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 413 | 7 | 1 | 4 | 4.9 | Cc1cc2c(CC(=O)O)cccc2n1C(=O)c1ccc(OCCc2ccccc2)cc1 | 10.1016/j.bmcl.2004.07.039 | |||
| 44394432 | 127326 | 0 | None | -10 | 5 | Mouse | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 457 | 6 | 1 | 6 | 4.5 | Cc1cc2c(CC(=O)O)cccc2n1C(=O)c1ccc(OC[C@H]2COc3ccccc3O2)cc1 | 10.1016/j.bmcl.2004.07.039 | |||
| CHEMBL365908 | 127326 | 0 | None | -10 | 5 | Mouse | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 457 | 6 | 1 | 6 | 4.5 | Cc1cc2c(CC(=O)O)cccc2n1C(=O)c1ccc(OC[C@H]2COc3ccccc3O2)cc1 | 10.1016/j.bmcl.2004.07.039 | |||
| 23017109 | 200074 | 0 | None | -6 | 2 | Mouse | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 416 | 10 | 1 | 5 | 4.3 | O=C(O)COCc1ccc(Cn2cccn2)cc1OCCc1ccc2ccccc2c1 | 10.1016/j.bmc.2009.08.007 | |||
| CHEMBL595830 | 200074 | 0 | None | -6 | 2 | Mouse | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 416 | 10 | 1 | 5 | 4.3 | O=C(O)COCc1ccc(Cn2cccn2)cc1OCCc1ccc2ccccc2c1 | 10.1016/j.bmc.2009.08.007 | |||
| 15907747 | 207023 | 0 | None | -257 | 4 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 684 | 8 | 1 | 5 | 7.2 | CO[C@@](C(=O)NS(=O)(=O)c1ccccc1-c1ccc(CN2C(=O)c3ccccc3CCc3ccccc32)cc1)(c1ccccc1)C(F)(F)F | 10.1016/s0960-894x(99)00465-5 | |||
| CHEMBL91537 | 207023 | 0 | None | -257 | 4 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 684 | 8 | 1 | 5 | 7.2 | CO[C@@](C(=O)NS(=O)(=O)c1ccccc1-c1ccc(CN2C(=O)c3ccccc3CCc3ccccc32)cc1)(c1ccccc1)C(F)(F)F | 10.1016/s0960-894x(99)00465-5 | |||
| 118517361 | 153370 | 0 | None | -218 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 446 | 8 | 2 | 3 | 5.1 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2cccc(C(F)(F)F)c2)cc1 | nan | |||
| CHEMBL3978590 | 153370 | 0 | None | -218 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 446 | 8 | 2 | 3 | 5.1 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2cccc(C(F)(F)F)c2)cc1 | nan | |||
| 9975502 | 94489 | 0 | None | 1 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 355 | 9 | 1 | 2 | 4.6 | CCCC/C(C)=C/C=C/[C@H]1CCC(=O)N1CCc1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2007.05.025 | |||
| CHEMBL251504 | 94489 | 0 | None | 1 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 355 | 9 | 1 | 2 | 4.6 | CCCC/C(C)=C/C=C/[C@H]1CCC(=O)N1CCc1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2007.05.025 | |||
| 3356 | 2280 | 73 | None | -53 | 8 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 435 | 5 | 1 | 4 | 4.4 | OC(=O)C[C@H]1CCc2c1n(Cc1ccc(cc1)Cl)c1c2cc(cc1S(=O)(=O)C)F | 10.1021/jm0603668 | |||
| 4326 | 2280 | 73 | None | -53 | 8 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 435 | 5 | 1 | 4 | 4.4 | OC(=O)C[C@H]1CCc2c1n(Cc1ccc(cc1)Cl)c1c2cc(cc1S(=O)(=O)C)F | 10.1021/jm0603668 | |||
| 9867642 | 2280 | 73 | None | -53 | 8 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 435 | 5 | 1 | 4 | 4.4 | OC(=O)C[C@H]1CCc2c1n(Cc1ccc(cc1)Cl)c1c2cc(cc1S(=O)(=O)C)F | 10.1021/jm0603668 | |||
| CHEMBL426559 | 2280 | 73 | None | -53 | 8 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 435 | 5 | 1 | 4 | 4.4 | OC(=O)C[C@H]1CCc2c1n(Cc1ccc(cc1)Cl)c1c2cc(cc1S(=O)(=O)C)F | 10.1021/jm0603668 | |||
| DB11629 | 2280 | 73 | None | -53 | 8 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 435 | 5 | 1 | 4 | 4.4 | OC(=O)C[C@H]1CCc2c1n(Cc1ccc(cc1)Cl)c1c2cc(cc1S(=O)(=O)C)F | 10.1021/jm0603668 | |||
| 70667255 | 151474 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 427 | 10 | 2 | 4 | 5.4 | CCCCCC(O)c1ccc(N2C(=O)CC[C@@H]2C=CCc2ccc(C(=O)O)s2)cc1 | nan | |||
| CHEMBL3962183 | 151474 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 427 | 10 | 2 | 4 | 5.4 | CCCCCC(O)c1ccc(N2C(=O)CC[C@@H]2C=CCc2ccc(C(=O)O)s2)cc1 | nan | |||
| 24760052 | 151185 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 427 | 10 | 2 | 4 | 5.4 | CCCCCC(O)c1ccc(N2C(=O)CC[C@@H]2/C=C/Cc2ccc(C(=O)O)s2)cc1 | nan | |||
| CHEMBL3959769 | 151185 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 427 | 10 | 2 | 4 | 5.4 | CCCCCC(O)c1ccc(N2C(=O)CC[C@@H]2/C=C/Cc2ccc(C(=O)O)s2)cc1 | nan | |||
| 44304436 | 203320 | 0 | None | -35 | 5 | Mouse | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 400 | 14 | 3 | 5 | 3.8 | CCCC[C@H](C)C[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1SCCCCCC(=O)O | 10.1016/s0960-894x(01)00364-x | |||
| CHEMBL64854 | 203320 | 0 | None | -35 | 5 | Mouse | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 400 | 14 | 3 | 5 | 3.8 | CCCC[C@H](C)C[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1SCCCCCC(=O)O | 10.1016/s0960-894x(01)00364-x | |||
| 44320373 | 206250 | 0 | None | 5 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 376 | 9 | 1 | 2 | 5.8 | O=C(O)CCc1ccccc1-c1ccc(CSCCc2ccccc2)cc1 | 10.1016/s0960-894x(02)00518-8 | |||
| CHEMBL86799 | 206250 | 0 | None | 5 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 376 | 9 | 1 | 2 | 5.8 | O=C(O)CCc1ccccc1-c1ccc(CSCCc2ccccc2)cc1 | 10.1016/s0960-894x(02)00518-8 | |||
| 52947851 | 16545 | 0 | None | -14 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 528 | 10 | 2 | 2 | 8.1 | O=C(O)/C=C/c1ccccc1/C=C/Cc1ccccc1.O=C(O)/C=C/c1ccccc1C/C=C/c1ccccc1 | 10.1016/j.bmcl.2004.11.051 | |||
| CHEMBL1237315 | 16545 | 0 | None | -14 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 528 | 10 | 2 | 2 | 8.1 | O=C(O)/C=C/c1ccccc1/C=C/Cc1ccccc1.O=C(O)/C=C/c1ccccc1C/C=C/c1ccccc1 | 10.1016/j.bmcl.2004.11.051 | |||
| 52947851 | 16545 | 0 | None | -14 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 528 | 10 | 2 | 2 | 8.1 | O=C(O)/C=C/c1ccccc1/C=C/Cc1ccccc1.O=C(O)/C=C/c1ccccc1C/C=C/c1ccccc1 | 10.1016/j.bmcl.2006.08.025 | |||
| CHEMBL1237315 | 16545 | 0 | None | -14 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 528 | 10 | 2 | 2 | 8.1 | O=C(O)/C=C/c1ccccc1/C=C/Cc1ccccc1.O=C(O)/C=C/c1ccccc1C/C=C/c1ccccc1 | 10.1016/j.bmcl.2006.08.025 | |||
| 9813912 | 137882 | 0 | None | -14 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 264 | 5 | 1 | 1 | 4.0 | O=C(O)/C=C/c1ccccc1C/C=C/c1ccccc1 | 10.1016/j.bmcl.2006.08.025 | |||
| CHEMBL376282 | 137882 | 0 | None | -14 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 264 | 5 | 1 | 1 | 4.0 | O=C(O)/C=C/c1ccccc1C/C=C/c1ccccc1 | 10.1016/j.bmcl.2006.08.025 | |||
| 57394140 | 69371 | 0 | None | -707 | 3 | Mouse | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 419 | 13 | 2 | 4 | 4.1 | COCc1cccc(C[C@H](O)/C=C/[C@H]2CCC(=S)N2CCCCCCC(=O)O)c1 | 10.1016/j.bmc.2011.12.009 | |||
| CHEMBL1929550 | 69371 | 0 | None | -707 | 3 | Mouse | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 419 | 13 | 2 | 4 | 4.1 | COCc1cccc(C[C@H](O)/C=C/[C@H]2CCC(=S)N2CCCCCCC(=O)O)c1 | 10.1016/j.bmc.2011.12.009 | |||
| 134146425 | 149203 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 394 | 12 | 2 | 2 | 6.4 | CCCCC(O)c1ccc([C@H]2CC[C@@H](Cl)[C@@H]2CCCCCCC(=O)O)cc1 | nan | |||
| CHEMBL3943966 | 149203 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 394 | 12 | 2 | 2 | 6.4 | CCCCC(O)c1ccc([C@H]2CC[C@@H](Cl)[C@@H]2CCCCCCC(=O)O)cc1 | nan | |||
| 11519006 | 102486 | 0 | None | -229 | 6 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 481 | 8 | 1 | 5 | 6.1 | O=C(O)COc1cccc(C[C@@H]2CCC[C@H]3O[C@]23c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1 | 10.1016/j.bmcl.2005.04.076 | |||
| CHEMBL2373410 | 102486 | 0 | None | -229 | 6 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 481 | 8 | 1 | 5 | 6.1 | O=C(O)COc1cccc(C[C@@H]2CCC[C@H]3O[C@]23c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1 | 10.1016/j.bmcl.2005.04.076 | |||
| CHEMBL3040272 | 102486 | 0 | None | -229 | 6 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 481 | 8 | 1 | 5 | 6.1 | O=C(O)COc1cccc(C[C@@H]2CCC[C@H]3O[C@]23c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1 | 10.1016/j.bmcl.2005.04.076 | |||
| 9808508 | 111560 | 0 | None | -245 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 586 | 7 | 1 | 4 | 6.3 | O=C(Cc1ccccc1)NS(=O)(=O)c1ccccc1-c1ccc(CN2C(=O)c3ccccc3CCc3ccccc32)cc1 | 10.1016/s0960-894x(99)00465-5 | |||
| CHEMBL328067 | 111560 | 0 | None | -245 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 586 | 7 | 1 | 4 | 6.3 | O=C(Cc1ccccc1)NS(=O)(=O)c1ccccc1-c1ccc(CN2C(=O)c3ccccc3CCc3ccccc32)cc1 | 10.1016/s0960-894x(99)00465-5 | |||
| 44455115 | 95562 | 0 | None | -15 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 387 | 10 | 2 | 3 | 4.1 | CCCCC(C)(C)[C@H](O)/C=C/[C@H]1CCC(=O)N1CCc1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2007.11.020 | |||
| CHEMBL257658 | 95562 | 0 | None | -15 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 387 | 10 | 2 | 3 | 4.1 | CCCCC(C)(C)[C@H](O)/C=C/[C@H]1CCC(=O)N1CCc1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2007.11.020 | |||
| 118517359 | 144396 | 0 | None | -114 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 456 | 8 | 2 | 3 | 4.8 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2cccc(Br)c2)cc1 | nan | |||
| CHEMBL3906016 | 144396 | 0 | None | -114 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 456 | 8 | 2 | 3 | 4.8 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2cccc(Br)c2)cc1 | nan | |||
| 44289922 | 163524 | 0 | None | -954 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 339 | 13 | 2 | 3 | 3.5 | CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)N1CCCCCCC(=O)O | 10.1021/acs.jmedchem.9b00336 | |||
| CHEMBL42027 | 163524 | 0 | None | -954 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 339 | 13 | 2 | 3 | 3.5 | CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)N1CCCCCCC(=O)O | 10.1021/acs.jmedchem.9b00336 | |||
| 11855868 | 152544 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 429 | 11 | 2 | 4 | 5.6 | CCCCCC(O)c1ccc(N2C(=O)CC[C@@H]2CCCc2ccc(C(=O)O)s2)cc1 | nan | |||
| CHEMBL3971632 | 152544 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 429 | 11 | 2 | 4 | 5.6 | CCCCCC(O)c1ccc(N2C(=O)CC[C@@H]2CCCc2ccc(C(=O)O)s2)cc1 | nan | |||
| 57393340 | 69475 | 0 | None | -10 | 4 | Mouse | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 530 | 12 | 2 | 7 | 4.2 | O=C(O)c1csc(SCCN2C(=O)CC[C@@H]2/C=C/[C@@H](O)Cc2cccc(COCC(F)(F)F)c2)n1 | 10.1016/j.bmcl.2011.10.109 | |||
| CHEMBL1933726 | 69475 | 0 | None | -10 | 4 | Mouse | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 530 | 12 | 2 | 7 | 4.2 | O=C(O)c1csc(SCCN2C(=O)CC[C@@H]2/C=C/[C@@H](O)Cc2cccc(COCC(F)(F)F)c2)n1 | 10.1016/j.bmcl.2011.10.109 | |||
| 11855868 | 152544 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 429 | 11 | 2 | 4 | 5.6 | CCCCCC(O)c1ccc(N2C(=O)CC[C@@H]2CCCc2ccc(C(=O)O)s2)cc1 | nan | |||
| CHEMBL3971632 | 152544 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 429 | 11 | 2 | 4 | 5.6 | CCCCCC(O)c1ccc(N2C(=O)CC[C@@H]2CCCc2ccc(C(=O)O)s2)cc1 | nan | |||
| 57894053 | 75170 | 0 | None | -79 | 3 | Mouse | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 551 | 10 | 2 | 8 | 5.4 | O=C(O)c1csc(SCCN2C(=O)CC[C@@H]2/C=C/[C@@H](O)Cc2cccc(-c3nc4ccccc4s3)c2)n1 | 10.1016/j.bmc.2012.04.008 | |||
| CHEMBL2036324 | 75170 | 0 | None | -79 | 3 | Mouse | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 551 | 10 | 2 | 8 | 5.4 | O=C(O)c1csc(SCCN2C(=O)CC[C@@H]2/C=C/[C@@H](O)Cc2cccc(-c3nc4ccccc4s3)c2)n1 | 10.1016/j.bmc.2012.04.008 | |||
| 155516303 | 170077 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 478 | 7 | 1 | 5 | 5.2 | CC(C)(C)c1ccc(CN(Cc2cccc3oc(C(=O)O)cc23)S(=O)(=O)c2cccnc2)cc1 | 10.1021/acs.jmedchem.8b00808 | |||
| CHEMBL4443289 | 170077 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 478 | 7 | 1 | 5 | 5.2 | CC(C)(C)c1ccc(CN(Cc2cccc3oc(C(=O)O)cc23)S(=O)(=O)c2cccnc2)cc1 | 10.1021/acs.jmedchem.8b00808 | |||
| 18973764 | 16647 | 0 | None | 1 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 346 | 8 | 1 | 2 | 5.1 | O=C(O)c1ccc(CCCc2ccccc2OCc2ccccc2)cc1 | 10.1016/s0960-894x(03)00794-7 | |||
| CHEMBL124199 | 16647 | 0 | None | 1 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 346 | 8 | 1 | 2 | 5.1 | O=C(O)c1ccc(CCCc2ccccc2OCc2ccccc2)cc1 | 10.1016/s0960-894x(03)00794-7 | |||
| 44304058 | 203177 | 0 | None | -66 | 5 | Mouse | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 374 | 13 | 3 | 6 | 2.0 | CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1SCCCOCC(=O)O | 10.1016/s0960-894x(01)00364-x | |||
| CHEMBL64254 | 203177 | 0 | None | -66 | 5 | Mouse | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 374 | 13 | 3 | 6 | 2.0 | CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1SCCCOCC(=O)O | 10.1016/s0960-894x(01)00364-x | |||
| 23017216 | 199159 | 0 | None | -1380 | 4 | Mouse | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 439 | 9 | 2 | 3 | 5.4 | O=C(O)CCc1ccc(COc2ccccc2)cc1C(=O)NCc1cccc2ccccc12 | 10.1016/j.bmc.2009.11.023 | |||
| CHEMBL589411 | 199159 | 0 | None | -1380 | 4 | Mouse | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 439 | 9 | 2 | 3 | 5.4 | O=C(O)CCc1ccc(COc2ccccc2)cc1C(=O)NCc1cccc2ccccc12 | 10.1016/j.bmc.2009.11.023 | |||
| 44304051 | 102760 | 0 | None | -213 | 4 | Mouse | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 440 | 12 | 3 | 7 | 2.4 | COc1ccc(C[C@H](O)/C=C/[C@H]2[C@H](O)CC(=O)[C@@H]2SCCCSCC(=O)O)cc1 | 10.1016/s0960-894x(01)00364-x | |||
| CHEMBL305126 | 102760 | 0 | None | -213 | 4 | Mouse | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 440 | 12 | 3 | 7 | 2.4 | COc1ccc(C[C@H](O)/C=C/[C@H]2[C@H](O)CC(=O)[C@@H]2SCCCSCC(=O)O)cc1 | 10.1016/s0960-894x(01)00364-x | |||
| 134143292 | 145228 | 0 | None | - | 1 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 408 | 12 | 1 | 3 | 6.5 | CCCCC(O)c1ccc([C@H]2CC[C@@H](Cl)[C@@H]2CCCCCCC(=O)OC)cc1 | nan | |||
| CHEMBL3912658 | 145228 | 0 | None | - | 1 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 408 | 12 | 1 | 3 | 6.5 | CCCCC(O)c1ccc([C@H]2CC[C@@H](Cl)[C@@H]2CCCCCCC(=O)OC)cc1 | nan | |||
| 59465595 | 145423 | 0 | None | - | 1 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 388 | 13 | 2 | 3 | 5.8 | CCCCCC(O)c1cccc([C@H]2CCC(=O)[C@@H]2CCCCCCC(=O)O)c1 | nan | |||
| CHEMBL3914108 | 145423 | 0 | None | - | 1 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 388 | 13 | 2 | 3 | 5.8 | CCCCCC(O)c1cccc([C@H]2CCC(=O)[C@@H]2CCCCCCC(=O)O)c1 | nan | |||
| 59465574 | 145945 | 0 | None | 1 | 2 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 400 | 12 | 1 | 4 | 5.7 | CCCCCC(O)c1ccc([C@H]2CCC(=O)[C@@H]2C/C=C\CCCC(=O)OC)cc1 | nan | |||
| CHEMBL3918084 | 145945 | 0 | None | 1 | 2 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 400 | 12 | 1 | 4 | 5.7 | CCCCCC(O)c1ccc([C@H]2CCC(=O)[C@@H]2C/C=C\CCCC(=O)OC)cc1 | nan | |||
| 118517490 | 153155 | 0 | None | -125 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 414 | 8 | 2 | 3 | 4.4 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2ccc(F)c(F)c2)cc1 | nan | |||
| CHEMBL3976710 | 153155 | 0 | None | -125 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 414 | 8 | 2 | 3 | 4.4 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2ccc(F)c(F)c2)cc1 | nan | |||
| 72695027 | 106266 | 0 | None | -28 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 396 | 8 | 2 | 4 | 3.5 | C[C@H](NC(=O)[C@H]1CCCCN1CCOc1ccccc1)c1ccc(C(=O)O)cc1 | 10.1021/ml5000367 | |||
| CHEMBL3115074 | 106266 | 0 | None | -28 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 396 | 8 | 2 | 4 | 3.5 | C[C@H](NC(=O)[C@H]1CCCCN1CCOc1ccccc1)c1ccc(C(=O)O)cc1 | 10.1021/ml5000367 | |||
| CHEMBL3138992 | 106266 | 0 | None | -28 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 396 | 8 | 2 | 4 | 3.5 | C[C@H](NC(=O)[C@H]1CCCCN1CCOc1ccccc1)c1ccc(C(=O)O)cc1 | 10.1021/ml5000367 | |||
| 72695027 | 106266 | 0 | None | -28 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 396 | 8 | 2 | 4 | 3.5 | C[C@H](NC(=O)[C@H]1CCCCN1CCOc1ccccc1)c1ccc(C(=O)O)cc1 | nan | |||
| CHEMBL3115074 | 106266 | 0 | None | -28 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 396 | 8 | 2 | 4 | 3.5 | C[C@H](NC(=O)[C@H]1CCCCN1CCOc1ccccc1)c1ccc(C(=O)O)cc1 | nan | |||
| CHEMBL3138992 | 106266 | 0 | None | -28 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 396 | 8 | 2 | 4 | 3.5 | C[C@H](NC(=O)[C@H]1CCCCN1CCOc1ccccc1)c1ccc(C(=O)O)cc1 | nan | |||
| 24952577 | 200561 | 0 | None | -2 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 399 | 6 | 2 | 3 | 5.2 | C[C@H](NC(=O)c1cscc1Cc1cccc(Cl)c1)c1ccc(C(=O)O)cc1 | 10.1021/jm901771h | |||
| CHEMBL599051 | 200561 | 0 | None | -2 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 399 | 6 | 2 | 3 | 5.2 | C[C@H](NC(=O)c1cscc1Cc1cccc(Cl)c1)c1ccc(C(=O)O)cc1 | 10.1021/jm901771h | |||
| 1929 | 1605 | 55 | None | -11 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 468 | 9 | 1 | 5 | 4.2 | OC(=O)COc1cccc(c1)CN(S(=O)(=O)c1cccnc1)Cc1ccc(cc1)C(C)(C)C | 10.1021/acs.jmedchem.8b00808 | |||
| 9890801 | 1605 | 55 | None | -11 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 468 | 9 | 1 | 5 | 4.2 | OC(=O)COc1cccc(c1)CN(S(=O)(=O)c1cccnc1)Cc1ccc(cc1)C(C)(C)C | 10.1021/acs.jmedchem.8b00808 | |||
| CHEMBL563646 | 1605 | 55 | None | -11 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 468 | 9 | 1 | 5 | 4.2 | OC(=O)COc1cccc(c1)CN(S(=O)(=O)c1cccnc1)Cc1ccc(cc1)C(C)(C)C | 10.1021/acs.jmedchem.8b00808 | |||
| DB12022 | 1605 | 55 | None | -11 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 468 | 9 | 1 | 5 | 4.2 | OC(=O)COc1cccc(c1)CN(S(=O)(=O)c1cccnc1)Cc1ccc(cc1)C(C)(C)C | 10.1021/acs.jmedchem.8b00808 | |||
| 44349503 | 168390 | 0 | None | -100 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 553 | 10 | 1 | 5 | 7.1 | O=C(CCc1ccccc1-c1cccc(-c2ccccc2OCc2ccccc2)c1)NS(=O)(=O)c1cccs1 | 10.1016/s0960-894x(03)00794-7 | |||
| CHEMBL434637 | 168390 | 0 | None | -100 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 553 | 10 | 1 | 5 | 7.1 | O=C(CCc1ccccc1-c1cccc(-c2ccccc2OCc2ccccc2)c1)NS(=O)(=O)c1cccs1 | 10.1016/s0960-894x(03)00794-7 | |||
| 44419351 | 84143 | 0 | None | -28 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 533 | 12 | 1 | 5 | 6.2 | Cc1ccc(OCc2ccccc2)c(CCCc2ccccc2CCC(=O)NS(=O)(=O)c2cccs2)c1 | 10.1016/j.bmcl.2006.08.025 | |||
| CHEMBL220821 | 84143 | 0 | None | -28 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 533 | 12 | 1 | 5 | 6.2 | Cc1ccc(OCc2ccccc2)c(CCCc2ccccc2CCC(=O)NS(=O)(=O)c2cccs2)c1 | 10.1016/j.bmcl.2006.08.025 | |||
| 44324368 | 96518 | 0 | None | -3 | 4 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 587 | 6 | 2 | 4 | 6.8 | O=C(Nc1ccccc1)NS(=O)(=O)c1ccccc1-c1ccc(CN2C(=O)c3ccccc3CCc3ccccc32)cc1 | 10.1016/s0960-894x(99)00465-5 | |||
| CHEMBL262690 | 96518 | 0 | None | -3 | 4 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 587 | 6 | 2 | 4 | 6.8 | O=C(Nc1ccccc1)NS(=O)(=O)c1ccccc1-c1ccc(CN2C(=O)c3ccccc3CCc3ccccc32)cc1 | 10.1016/s0960-894x(99)00465-5 | |||
| 10144273 | 205834 | 0 | None | -131 | 4 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 558 | 8 | 1 | 5 | 7.2 | O=C(CCc1ccccc1-c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1)NS(=O)(=O)c1cccs1 | 10.1016/s0960-894x(02)00518-8 | |||
| CHEMBL83450 | 205834 | 0 | None | -131 | 4 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 558 | 8 | 1 | 5 | 7.2 | O=C(CCc1ccccc1-c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1)NS(=O)(=O)c1cccs1 | 10.1016/s0960-894x(02)00518-8 | |||
| 11855871 | 146408 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 429 | 11 | 1 | 5 | 4.9 | CCCCCC(=O)c1ccc(N2C(=O)CC[C@@H]2COCc2ccc(C(=O)O)s2)cc1 | nan | |||
| CHEMBL3921784 | 146408 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 429 | 11 | 1 | 5 | 4.9 | CCCCCC(=O)c1ccc(N2C(=O)CC[C@@H]2COCc2ccc(C(=O)O)s2)cc1 | nan | |||
| 11855871 | 146408 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 429 | 11 | 1 | 5 | 4.9 | CCCCCC(=O)c1ccc(N2C(=O)CC[C@@H]2COCc2ccc(C(=O)O)s2)cc1 | nan | |||
| CHEMBL3921784 | 146408 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 429 | 11 | 1 | 5 | 4.9 | CCCCCC(=O)c1ccc(N2C(=O)CC[C@@H]2COCc2ccc(C(=O)O)s2)cc1 | nan | |||
| 11855866 | 144602 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 403 | 9 | 2 | 5 | 4.0 | CCCC(O)c1ccc(N2C(=O)CC[C@@H]2COCc2ccc(C(=O)O)s2)cc1 | nan | |||
| CHEMBL3907809 | 144602 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 403 | 9 | 2 | 5 | 4.0 | CCCC(O)c1ccc(N2C(=O)CC[C@@H]2COCc2ccc(C(=O)O)s2)cc1 | nan | |||
| 11855866 | 144602 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 403 | 9 | 2 | 5 | 4.0 | CCCC(O)c1ccc(N2C(=O)CC[C@@H]2COCc2ccc(C(=O)O)s2)cc1 | nan | |||
| CHEMBL3907809 | 144602 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 403 | 9 | 2 | 5 | 4.0 | CCCC(O)c1ccc(N2C(=O)CC[C@@H]2COCc2ccc(C(=O)O)s2)cc1 | nan | |||
| 53494965 | 64813 | 0 | None | -5 | 3 | Mouse | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 460 | 7 | 2 | 5 | 4.5 | Cc1ccc(CC(=O)O)cc1NC(=O)c1ccc(OC[C@@H]2CN(C)c3ccccc3O2)cc1C | 10.1016/j.bmc.2011.08.007 | |||
| CHEMBL1819611 | 64813 | 0 | None | -5 | 3 | Mouse | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 460 | 7 | 2 | 5 | 4.5 | Cc1ccc(CC(=O)O)cc1NC(=O)c1ccc(OC[C@@H]2CN(C)c3ccccc3O2)cc1C | 10.1016/j.bmc.2011.08.007 | |||
| 52947847 | 16538 | 0 | None | 1 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 768 | 16 | 2 | 4 | 11.9 | Cc1cccc(/C=C/Cc2ccc(/C=C/C(=O)O)cc2)c1OCc1ccccc1.Cc1cccc(C/C=C\c2ccc(/C=C/C(=O)O)cc2)c1OCc1ccccc1 | 10.1016/j.bmcl.2004.11.051 | |||
| CHEMBL1237300 | 16538 | 0 | None | 1 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 768 | 16 | 2 | 4 | 11.9 | Cc1cccc(/C=C/Cc2ccc(/C=C/C(=O)O)cc2)c1OCc1ccccc1.Cc1cccc(C/C=C\c2ccc(/C=C/C(=O)O)cc2)c1OCc1ccccc1 | 10.1016/j.bmcl.2004.11.051 | |||
| 11314979 | 66109 | 0 | None | -11 | 4 | Mouse | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 379 | 7 | 1 | 4 | 4.8 | CCCCOc1ccc(C(=O)n2c(C)c(CC(=O)O)c3cc(C)ccc32)cc1 | 10.1016/j.bmcl.2004.06.006 | |||
| CHEMBL183933 | 66109 | 0 | None | -11 | 4 | Mouse | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 379 | 7 | 1 | 4 | 4.8 | CCCCOc1ccc(C(=O)n2c(C)c(CC(=O)O)c3cc(C)ccc32)cc1 | 10.1016/j.bmcl.2004.06.006 | |||
| 11234840 | 125055 | 0 | None | -4 | 2 | Mouse | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 395 | 8 | 1 | 5 | 4.5 | CCCCOc1cccc(C(=O)n2c(C)c(CC(=O)O)c3cc(OC)ccc32)c1 | 10.1016/j.bmcl.2004.06.006 | |||
| CHEMBL364421 | 125055 | 0 | None | -4 | 2 | Mouse | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 395 | 8 | 1 | 5 | 4.5 | CCCCOc1cccc(C(=O)n2c(C)c(CC(=O)O)c3cc(OC)ccc32)c1 | 10.1016/j.bmcl.2004.06.006 | |||
| 56949973 | 69372 | 0 | None | -3388 | 4 | Mouse | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 407 | 11 | 2 | 4 | 3.8 | Cc1cccc(C[C@H](O)/C=C/[C@H]2CCC(=S)N2CCSCCCC(=O)O)c1 | 10.1016/j.bmc.2011.12.009 | |||
| CHEMBL1929551 | 69372 | 0 | None | -3388 | 4 | Mouse | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 407 | 11 | 2 | 4 | 3.8 | Cc1cccc(C[C@H](O)/C=C/[C@H]2CCC(=S)N2CCSCCCC(=O)O)c1 | 10.1016/j.bmc.2011.12.009 | |||
| 57894092 | 75158 | 0 | None | -8511 | 3 | Mouse | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 494 | 12 | 2 | 6 | 4.5 | O=C(O)CCCSCCN1C(=O)CC[C@@H]1/C=C/[C@@H](O)Cc1cccc(-c2nc3ccccc3o2)c1 | 10.1016/j.bmc.2012.04.008 | |||
| CHEMBL2036312 | 75158 | 0 | None | -8511 | 3 | Mouse | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 494 | 12 | 2 | 6 | 4.5 | O=C(O)CCCSCCN1C(=O)CC[C@@H]1/C=C/[C@@H](O)Cc1cccc(-c2nc3ccccc3o2)c1 | 10.1016/j.bmc.2012.04.008 | |||
| 10157810 | 63787 | 0 | None | 3 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 400 | 9 | 1 | 3 | 5.6 | COc1cc(C/C=C/c2ccccc2/C=C/C(=O)O)ccc1OCc1ccccc1 | 10.1021/ml300191g | |||
| CHEMBL180191 | 63787 | 0 | None | 3 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 400 | 9 | 1 | 3 | 5.6 | COc1cc(C/C=C/c2ccccc2/C=C/C(=O)O)ccc1OCc1ccccc1 | 10.1021/ml300191g | |||
| 44442334 | 94528 | 0 | None | -7 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 327 | 7 | 1 | 2 | 3.8 | CC/C(C)=C\C=C\[C@H]1CCC(=O)N1CCc1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2007.05.025 | |||
| CHEMBL251710 | 94528 | 0 | None | -7 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 327 | 7 | 1 | 2 | 3.8 | CC/C(C)=C\C=C\[C@H]1CCC(=O)N1CCc1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2007.05.025 | |||
| 11495634 | 14905 | 13 | None | -218 | 4 | Mouse | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 405 | 6 | 1 | 3 | 5.4 | O=C(O)c1cccc(Cc2cc(Cl)ccc2OCc2ccc(Cl)cc2F)n1 | 10.1016/j.bmcl.2012.11.046 | |||
| CHEMBL1207972 | 14905 | 13 | None | -218 | 4 | Mouse | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 405 | 6 | 1 | 3 | 5.4 | O=C(O)c1cccc(Cc2cc(Cl)ccc2OCc2ccc(Cl)cc2F)n1 | 10.1016/j.bmcl.2012.11.046 | |||
| CHEMBL467114 | 14905 | 13 | None | -218 | 4 | Mouse | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 405 | 6 | 1 | 3 | 5.4 | O=C(O)c1cccc(Cc2cc(Cl)ccc2OCc2ccc(Cl)cc2F)n1 | 10.1016/j.bmcl.2012.11.046 | |||
| 92135977 | 152896 | 0 | None | -275 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 396 | 8 | 2 | 3 | 4.2 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2cccc(F)c2)cc1 | nan | |||
| CHEMBL3974652 | 152896 | 0 | None | -275 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 396 | 8 | 2 | 3 | 4.2 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2cccc(F)c2)cc1 | nan | |||
| 52945421 | 16536 | 0 | None | 2 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 740 | 16 | 2 | 4 | 11.2 | O=C(O)/C=C/c1ccccc1/C=C/Cc1cccc(OCc2ccccc2)c1.O=C(O)/C=C/c1ccccc1C/C=C\c1cccc(OCc2ccccc2)c1 | 10.1016/j.bmcl.2004.11.051 | |||
| CHEMBL1237298 | 16536 | 0 | None | 2 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 740 | 16 | 2 | 4 | 11.2 | O=C(O)/C=C/c1ccccc1/C=C/Cc1cccc(OCc2ccccc2)c1.O=C(O)/C=C/c1ccccc1C/C=C\c1cccc(OCc2ccccc2)c1 | 10.1016/j.bmcl.2004.11.051 | |||
| 21362912 | 171175 | 0 | None | -8 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 535 | 12 | 1 | 5 | 6.7 | O=C(CCCc1ccccc1-c1ccc(CSCCc2ccccc2)cc1)NS(=O)(=O)c1cccs1 | 10.1016/s0960-894x(02)00518-8 | |||
| CHEMBL445895 | 171175 | 0 | None | -8 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 535 | 12 | 1 | 5 | 6.7 | O=C(CCCc1ccccc1-c1ccc(CSCCc2ccccc2)cc1)NS(=O)(=O)c1cccs1 | 10.1016/s0960-894x(02)00518-8 | |||
| 23017362 | 199978 | 0 | None | -45 | 4 | Mouse | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 414 | 10 | 1 | 4 | 5.1 | O=C(O)CCCc1ccc(Cn2cccn2)cc1OCCc1ccc2ccccc2c1 | 10.1016/j.bmc.2009.08.007 | |||
| CHEMBL595157 | 199978 | 0 | None | -45 | 4 | Mouse | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 414 | 10 | 1 | 4 | 5.1 | O=C(O)CCCc1ccc(Cn2cccn2)cc1OCCc1ccc2ccccc2c1 | 10.1016/j.bmc.2009.08.007 | |||
| 11577792 | 159318 | 19 | None | -1819 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 414 | 6 | 2 | 4 | 4.9 | C[C@H](NC(=O)c1cc(Cl)cnc1Oc1cccc(F)c1)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2017.01.067 | |||
| CHEMBL4099851 | 159318 | 19 | None | -1819 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 414 | 6 | 2 | 4 | 4.9 | C[C@H](NC(=O)c1cc(Cl)cnc1Oc1cccc(F)c1)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2017.01.067 | |||
| 10448293 | 154421 | 0 | None | -41 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 313 | 6 | 1 | 2 | 3.4 | CC(C)=C/C=C/[C@H]1CCC(=O)N1CCc1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2007.05.025 | |||
| CHEMBL398947 | 154421 | 0 | None | -41 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 313 | 6 | 1 | 2 | 3.4 | CC(C)=C/C=C/[C@H]1CCC(=O)N1CCc1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2007.05.025 | |||
| 11855324 | 142605 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 371 | 6 | 1 | 4 | 4.0 | CC(C)(C)c1ccc(N2C(=O)CC[C@@H]2COCc2ccc(C(=O)O)o2)cc1 | nan | |||
| CHEMBL3891401 | 142605 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 371 | 6 | 1 | 4 | 4.0 | CC(C)(C)c1ccc(N2C(=O)CC[C@@H]2COCc2ccc(C(=O)O)o2)cc1 | nan | |||
| 57395059 | 69474 | 0 | None | -12 | 3 | Mouse | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 418 | 9 | 2 | 6 | 3.1 | O=C(O)c1csc(SCCN2C(=O)CC[C@@H]2/C=C/[C@@H](O)Cc2ccccc2)n1 | 10.1016/j.bmcl.2011.10.109 | |||
| CHEMBL1933725 | 69474 | 0 | None | -12 | 3 | Mouse | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 418 | 9 | 2 | 6 | 3.1 | O=C(O)c1csc(SCCN2C(=O)CC[C@@H]2/C=C/[C@@H](O)Cc2ccccc2)n1 | 10.1016/j.bmcl.2011.10.109 | |||
| 57395059 | 69474 | 0 | None | -12 | 3 | Mouse | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 418 | 9 | 2 | 6 | 3.1 | O=C(O)c1csc(SCCN2C(=O)CC[C@@H]2/C=C/[C@@H](O)Cc2ccccc2)n1 | 10.1016/j.bmc.2012.02.018 | |||
| CHEMBL1933725 | 69474 | 0 | None | -12 | 3 | Mouse | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 418 | 9 | 2 | 6 | 3.1 | O=C(O)c1csc(SCCN2C(=O)CC[C@@H]2/C=C/[C@@H](O)Cc2ccccc2)n1 | 10.1016/j.bmc.2012.02.018 | |||
| 11855865 | 153277 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 445 | 12 | 2 | 5 | 5.2 | CCCCCCC(O)c1ccc(N2C(=O)CC[C@@H]2COCc2ccc(C(=O)O)s2)cc1 | nan | |||
| CHEMBL3977724 | 153277 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 445 | 12 | 2 | 5 | 5.2 | CCCCCCC(O)c1ccc(N2C(=O)CC[C@@H]2COCc2ccc(C(=O)O)s2)cc1 | nan | |||
| 57403612 | 71305 | 0 | None | -239 | 3 | Mouse | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 433 | 9 | 2 | 4 | 4.2 | O=C(O)c1ccc(CCCN2C(=O)CC[C@@H]2/C=C/[C@@H](O)Cc2cccc(Cl)c2)s1 | 10.1016/j.bmc.2012.02.018 | |||
| CHEMBL1957434 | 71305 | 0 | None | -239 | 3 | Mouse | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 433 | 9 | 2 | 4 | 4.2 | O=C(O)c1ccc(CCCN2C(=O)CC[C@@H]2/C=C/[C@@H](O)Cc2cccc(Cl)c2)s1 | 10.1016/j.bmc.2012.02.018 | |||
| 15948325 | 2526 | 45 | None | -1548 | 6 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 603 | 11 | 1 | 8 | 4.7 | CCOc1c2CN(C(=O)c2c(c2c1nccc2)OCC)c1ccc(cc1C)CS(=O)(=O)NC(=O)Cc1ccccc1OC | 10.1016/j.bmcl.2008.01.103 | |||
| 5856 | 2526 | 45 | None | -1548 | 6 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 603 | 11 | 1 | 8 | 4.7 | CCOc1c2CN(C(=O)c2c(c2c1nccc2)OCC)c1ccc(cc1C)CS(=O)(=O)NC(=O)Cc1ccccc1OC | 10.1016/j.bmcl.2008.01.103 | |||
| CHEMBL402162 | 2526 | 45 | None | -1548 | 6 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 603 | 11 | 1 | 8 | 4.7 | CCOc1c2CN(C(=O)c2c(c2c1nccc2)OCC)c1ccc(cc1C)CS(=O)(=O)NC(=O)Cc1ccccc1OC | 10.1016/j.bmcl.2008.01.103 | |||
| 59465577 | 143189 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 408 | 13 | 2 | 2 | 6.8 | CCCCCC(O)c1ccc([C@H]2CC[C@@H](Cl)[C@@H]2CCCCCCC(=O)O)cc1 | nan | |||
| CHEMBL3896183 | 143189 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 408 | 13 | 2 | 2 | 6.8 | CCCCCC(O)c1ccc([C@H]2CC[C@@H](Cl)[C@@H]2CCCCCCC(=O)O)cc1 | nan | |||
| 57893982 | 75164 | 0 | None | -4 | 3 | Mouse | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 508 | 10 | 2 | 6 | 5.1 | Cc1ccc(-c2cccc(C[C@H](O)/C=C/[C@H]3CCC(=O)N3CCSc3nc(C(=O)O)cs3)c2)cc1 | 10.1016/j.bmc.2012.04.008 | |||
| CHEMBL2036318 | 75164 | 0 | None | -4 | 3 | Mouse | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 508 | 10 | 2 | 6 | 5.1 | Cc1ccc(-c2cccc(C[C@H](O)/C=C/[C@H]3CCC(=O)N3CCSc3nc(C(=O)O)cs3)c2)cc1 | 10.1016/j.bmc.2012.04.008 | |||
| 57464006 | 75168 | 0 | None | -17 | 4 | Mouse | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 534 | 10 | 2 | 7 | 5.5 | O=C(O)c1csc(SCCN2C(=O)CC[C@@H]2/C=C/[C@@H](O)Cc2cccc(-c3cc4ccccc4o3)c2)n1 | 10.1016/j.bmc.2012.04.008 | |||
| CHEMBL2036322 | 75168 | 0 | None | -17 | 4 | Mouse | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 534 | 10 | 2 | 7 | 5.5 | O=C(O)c1csc(SCCN2C(=O)CC[C@@H]2/C=C/[C@@H](O)Cc2cccc(-c3cc4ccccc4o3)c2)n1 | 10.1016/j.bmc.2012.04.008 | |||
| 9807448 | 203172 | 0 | None | -1 | 4 | Mouse | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 398 | 11 | 3 | 3 | 4.7 | CCC1([C@@H](O)C/C=C/[C@H]2[C@H](O)C[C@@H](Cl)[C@@H]2C/C=C\CCCC(=O)O)CCC1 | 10.1016/s0960-894x(01)00359-6 | |||
| CHEMBL64246 | 203172 | 0 | None | -1 | 4 | Mouse | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 398 | 11 | 3 | 3 | 4.7 | CCC1([C@@H](O)C/C=C/[C@H]2[C@H](O)C[C@@H](Cl)[C@@H]2C/C=C\CCCC(=O)O)CCC1 | 10.1016/s0960-894x(01)00359-6 | |||
| 67078538 | 129198 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 269 | 3 | 3 | 3 | 3.3 | O=C(O)c1[nH]c(-c2ccoc2)cc1-c1ccc(O)cc1 | nan | |||
| CHEMBL3670654 | 129198 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 269 | 3 | 3 | 3 | 3.3 | O=C(O)c1[nH]c(-c2ccoc2)cc1-c1ccc(O)cc1 | nan | |||
| 44303952 | 100886 | 0 | None | 41 | 4 | Mouse | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 420 | 14 | 3 | 4 | 4.8 | CCCCCC1([C@@H](O)C/C=C/[C@H]2[C@H](O)CC(=O)[C@@H]2C/C=C\CCCC(=O)O)CCC1 | 10.1016/s0960-894x(01)00359-6 | |||
| CHEMBL293697 | 100886 | 0 | None | 41 | 4 | Mouse | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 420 | 14 | 3 | 4 | 4.8 | CCCCCC1([C@@H](O)C/C=C/[C@H]2[C@H](O)CC(=O)[C@@H]2C/C=C\CCCC(=O)O)CCC1 | 10.1016/s0960-894x(01)00359-6 | |||
| 10361472 | 65208 | 0 | None | -199 | 3 | Mouse | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 365 | 7 | 1 | 4 | 4.4 | CCCCOc1ccc(C(=O)n2c(C)cc3c(CC(=O)O)cccc32)cc1 | 10.1016/j.bmcl.2004.07.039 | |||
| CHEMBL182555 | 65208 | 0 | None | -199 | 3 | Mouse | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 365 | 7 | 1 | 4 | 4.4 | CCCCOc1ccc(C(=O)n2c(C)cc3c(CC(=O)O)cccc32)cc1 | 10.1016/j.bmcl.2004.07.039 | |||
| 10118889 | 206273 | 0 | None | -74 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 521 | 11 | 1 | 5 | 6.3 | O=C(CCc1ccccc1-c1cccc(CSCCc2ccccc2)c1)NS(=O)(=O)c1cccs1 | 10.1016/s0960-894x(02)00518-8 | |||
| CHEMBL86933 | 206273 | 0 | None | -74 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 521 | 11 | 1 | 5 | 6.3 | O=C(CCc1ccccc1-c1cccc(CSCCc2ccccc2)c1)NS(=O)(=O)c1cccs1 | 10.1016/s0960-894x(02)00518-8 | |||
| 11187675 | 65214 | 0 | None | -61 | 4 | Mouse | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 365 | 7 | 1 | 4 | 4.4 | CCCCOc1ccc(C(=O)n2c(C)c(CC(=O)O)c3ccccc32)cc1 | 10.1016/j.bmcl.2004.06.006 | |||
| CHEMBL182572 | 65214 | 0 | None | -61 | 4 | Mouse | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 365 | 7 | 1 | 4 | 4.4 | CCCCOc1ccc(C(=O)n2c(C)c(CC(=O)O)c3ccccc32)cc1 | 10.1016/j.bmcl.2004.06.006 | |||
| 12002527 | 75160 | 0 | None | -19952 | 2 | Mouse | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 493 | 12 | 2 | 5 | 5.1 | O=C(O)CCCSCCN1C(=O)CC[C@@H]1/C=C/[C@@H](O)Cc1cccc(-c2cc3ccccc3o2)c1 | 10.1016/j.bmc.2012.04.008 | |||
| CHEMBL2036314 | 75160 | 0 | None | -19952 | 2 | Mouse | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 493 | 12 | 2 | 5 | 5.1 | O=C(O)CCCSCCN1C(=O)CC[C@@H]1/C=C/[C@@H](O)Cc1cccc(-c2cc3ccccc3o2)c1 | 10.1016/j.bmc.2012.04.008 | |||
| 24953628 | 200603 | 0 | None | -63 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 427 | 6 | 2 | 3 | 5.8 | Cc1sc(C)c(C(=O)N[C@@H](C)c2ccc(C(=O)O)cc2)c1Cc1ccc(Cl)cc1 | 10.1021/jm901771h | |||
| CHEMBL599262 | 200603 | 0 | None | -63 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 427 | 6 | 2 | 3 | 5.8 | Cc1sc(C)c(C(=O)N[C@@H](C)c2ccc(C(=O)O)cc2)c1Cc1ccc(Cl)cc1 | 10.1021/jm901771h | |||
| 57529188 | 147195 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 415 | 11 | 2 | 5 | 4.3 | CCCCCC(O)c1ccc(N2C(=O)CC[C@@H]2COCc2ccc(C(=O)O)o2)cc1 | nan | |||
| CHEMBL3928130 | 147195 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 415 | 11 | 2 | 5 | 4.3 | CCCCCC(O)c1ccc(N2C(=O)CC[C@@H]2COCc2ccc(C(=O)O)o2)cc1 | nan | |||
| 57529188 | 147195 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 415 | 11 | 2 | 5 | 4.3 | CCCCCC(O)c1ccc(N2C(=O)CC[C@@H]2COCc2ccc(C(=O)O)o2)cc1 | nan | |||
| CHEMBL3928130 | 147195 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 415 | 11 | 2 | 5 | 4.3 | CCCCCC(O)c1ccc(N2C(=O)CC[C@@H]2COCc2ccc(C(=O)O)o2)cc1 | nan | |||
| 44444721 | 154406 | 0 | None | -77 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 508 | 9 | 2 | 4 | 3.0 | O=C(O)c1ccc(CCN2C(=O)CCN2CC[C@@H](O)Cc2cccc(I)c2)cc1 | 10.1016/j.bmcl.2007.09.074 | |||
| CHEMBL398827 | 154406 | 0 | None | -77 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 508 | 9 | 2 | 4 | 3.0 | O=C(O)c1ccc(CCN2C(=O)CCN2CC[C@@H](O)Cc2cccc(I)c2)cc1 | 10.1016/j.bmcl.2007.09.074 | |||
| 44455084 | 97867 | 0 | None | -10 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 399 | 10 | 2 | 3 | 4.2 | CCCCC1([C@@H](O)/C=C/[C@H]2CCC(=O)N2CCc2ccc(C(=O)O)cc2)CCC1 | 10.1016/j.bmcl.2007.11.020 | |||
| CHEMBL272277 | 97867 | 0 | None | -10 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 399 | 10 | 2 | 3 | 4.2 | CCCCC1([C@@H](O)/C=C/[C@H]2CCC(=O)N2CCc2ccc(C(=O)O)cc2)CCC1 | 10.1016/j.bmcl.2007.11.020 | |||
| 58932681 | 75172 | 0 | None | -100 | 3 | Mouse | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 549 | 10 | 2 | 8 | 5.2 | Cc1ccc2oc(-c3cccc(C[C@H](O)/C=C/[C@H]4CCC(=O)N4CCSc4nc(C(=O)O)cs4)c3)nc2c1 | 10.1016/j.bmc.2012.04.008 | |||
| CHEMBL2036326 | 75172 | 0 | None | -100 | 3 | Mouse | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 549 | 10 | 2 | 8 | 5.2 | Cc1ccc2oc(-c3cccc(C[C@H](O)/C=C/[C@H]4CCC(=O)N4CCSc4nc(C(=O)O)cs4)c3)nc2c1 | 10.1016/j.bmc.2012.04.008 | |||
| 10116116 | 64411 | 0 | None | -26 | 5 | Mouse | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 470 | 6 | 1 | 6 | 4.5 | Cc1c(CC(=O)O)c2ccccc2n1C(=O)c1ccc(OC[C@@H]2CN(C)c3ccccc3O2)cc1 | 10.1016/j.bmc.2011.06.014 | |||
| CHEMBL1813115 | 64411 | 0 | None | -26 | 5 | Mouse | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 470 | 6 | 1 | 6 | 4.5 | Cc1c(CC(=O)O)c2ccccc2n1C(=O)c1ccc(OC[C@@H]2CN(C)c3ccccc3O2)cc1 | 10.1016/j.bmc.2011.06.014 | |||
| 10206535 | 66572 | 0 | None | -398 | 4 | Mouse | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 488 | 6 | 1 | 6 | 4.7 | Cc1cc2c(CC(=O)O)cccc2n1C(=O)c1ccc(OC[C@@H]2CN(C)c3ccc(F)cc3O2)cc1 | 10.1016/j.bmcl.2004.07.039 | |||
| CHEMBL185251 | 66572 | 0 | None | -398 | 4 | Mouse | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 488 | 6 | 1 | 6 | 4.7 | Cc1cc2c(CC(=O)O)cccc2n1C(=O)c1ccc(OC[C@@H]2CN(C)c3ccc(F)cc3O2)cc1 | 10.1016/j.bmcl.2004.07.039 | |||
| 44320126 | 206412 | 0 | None | -17 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 537 | 11 | 1 | 7 | 6.2 | Cc1cccc(OCCCOc2ccc(-c3ccccc3COC(=O)NS(=O)(=O)c3cccs3)cc2)c1 | 10.1016/s0960-894x(02)00518-8 | |||
| CHEMBL87816 | 206412 | 0 | None | -17 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 537 | 11 | 1 | 7 | 6.2 | Cc1cccc(OCCCOc2ccc(-c3ccccc3COC(=O)NS(=O)(=O)c3cccs3)cc2)c1 | 10.1016/s0960-894x(02)00518-8 | |||
| 22009011 | 64073 | 0 | None | -208 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 468 | 8 | 2 | 3 | 6.7 | Cc1cccc(/C=C/C(O)c2ccccc2/C=C/C(=O)O)c1OCc1c(Cl)cccc1Cl | 10.1016/j.bmcl.2004.11.051 | |||
| CHEMBL180742 | 64073 | 0 | None | -208 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 468 | 8 | 2 | 3 | 6.7 | Cc1cccc(/C=C/C(O)c2ccccc2/C=C/C(=O)O)c1OCc1c(Cl)cccc1Cl | 10.1016/j.bmcl.2004.11.051 | |||
| 11187675 | 65214 | 0 | None | -61 | 4 | Mouse | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 365 | 7 | 1 | 4 | 4.4 | CCCCOc1ccc(C(=O)n2c(C)c(CC(=O)O)c3ccccc32)cc1 | 10.1016/j.bmcl.2004.06.006 | |||
| CHEMBL182572 | 65214 | 0 | None | -61 | 4 | Mouse | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 365 | 7 | 1 | 4 | 4.4 | CCCCOc1ccc(C(=O)n2c(C)c(CC(=O)O)c3ccccc32)cc1 | 10.1016/j.bmcl.2004.06.006 | |||
| 44419380 | 83079 | 0 | None | -208 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 529 | 10 | 1 | 5 | 6.4 | Cc1ccc(OCc2ccccc2)c(/C=C/Cc2ccccc2/C=C/C(=O)NS(=O)(=O)c2cccs2)c1 | 10.1016/j.bmcl.2006.08.025 | |||
| CHEMBL218178 | 83079 | 0 | None | -208 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 529 | 10 | 1 | 5 | 6.4 | Cc1ccc(OCc2ccccc2)c(/C=C/Cc2ccccc2/C=C/C(=O)NS(=O)(=O)c2cccs2)c1 | 10.1016/j.bmcl.2006.08.025 | |||
| 44419384 | 83080 | 0 | None | -208 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 529 | 10 | 1 | 5 | 6.4 | Cc1ccc(OCc2ccccc2)c(C/C=C/c2ccccc2/C=C/C(=O)NS(=O)(=O)c2cccs2)c1 | 10.1016/j.bmcl.2006.08.025 | |||
| CHEMBL218179 | 83080 | 0 | None | -208 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 529 | 10 | 1 | 5 | 6.4 | Cc1ccc(OCc2ccccc2)c(C/C=C/c2ccccc2/C=C/C(=O)NS(=O)(=O)c2cccs2)c1 | 10.1016/j.bmcl.2006.08.025 | |||
| 57894081 | 75154 | 0 | None | -3467 | 2 | Mouse | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 503 | 12 | 2 | 4 | 5.6 | O=C(O)CCCSCCN1C(=O)CC[C@@H]1/C=C/[C@@H](O)Cc1cccc(-c2ccc3ccccc3c2)c1 | 10.1016/j.bmc.2012.04.008 | |||
| CHEMBL2036308 | 75154 | 0 | None | -3467 | 2 | Mouse | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 503 | 12 | 2 | 4 | 5.6 | O=C(O)CCCSCCN1C(=O)CC[C@@H]1/C=C/[C@@H](O)Cc1cccc(-c2ccc3ccccc3c2)c1 | 10.1016/j.bmc.2012.04.008 | |||
| 23017746 | 199849 | 0 | None | -13 | 3 | Mouse | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 414 | 8 | 1 | 3 | 6.2 | O=C(O)/C=C/c1ccc(Cc2cccs2)cc1OCCc1ccc2ccccc2c1 | 10.1016/j.bmc.2009.08.007 | |||
| CHEMBL594365 | 199849 | 0 | None | -13 | 3 | Mouse | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 414 | 8 | 1 | 3 | 6.2 | O=C(O)/C=C/c1ccc(Cc2cccs2)cc1OCCc1ccc2ccccc2c1 | 10.1016/j.bmc.2009.08.007 | |||
| 9846782 | 100905 | 7 | None | -676 | 3 | Mouse | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 454 | 13 | 3 | 7 | 2.6 | COCc1cccc(C[C@H](O)/C=C/[C@H]2[C@H](O)CC(=O)[C@@H]2SCCCSCC(=O)O)c1 | 10.1016/s0960-894x(01)00364-x | |||
| CHEMBL293856 | 100905 | 7 | None | -676 | 3 | Mouse | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 454 | 13 | 3 | 7 | 2.6 | COCc1cccc(C[C@H](O)/C=C/[C@H]2[C@H](O)CC(=O)[C@@H]2SCCCSCC(=O)O)c1 | 10.1016/s0960-894x(01)00364-x | |||
| 15907748 | 111464 | 0 | None | -147 | 4 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 615 | 7 | 2 | 4 | 7.0 | C[C@H](NC(=O)NS(=O)(=O)c1ccccc1-c1ccc(CN2C(=O)c3ccccc3CCc3ccccc32)cc1)c1ccccc1 | 10.1016/s0960-894x(99)00465-5 | |||
| CHEMBL327597 | 111464 | 0 | None | -147 | 4 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 615 | 7 | 2 | 4 | 7.0 | C[C@H](NC(=O)NS(=O)(=O)c1ccccc1-c1ccc(CN2C(=O)c3ccccc3CCc3ccccc32)cc1)c1ccccc1 | 10.1016/s0960-894x(99)00465-5 | |||
| 138 | 3081 | 88 | None | -19 | 18 | Mouse | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | 10.1016/s0960-894x(01)00365-1 | |||
| 1882 | 3081 | 88 | None | -19 | 18 | Mouse | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | 10.1016/s0960-894x(01)00365-1 | |||
| 5280723 | 3081 | 88 | None | -19 | 18 | Mouse | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | 10.1016/s0960-894x(01)00365-1 | |||
| CHEMBL495 | 3081 | 88 | None | -19 | 18 | Mouse | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | 10.1016/s0960-894x(01)00365-1 | |||
| DB00770 | 3081 | 88 | None | -19 | 18 | Mouse | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | 10.1016/s0960-894x(01)00365-1 | |||
| 1883 | 3082 | 75 | None | -15 | 24 | Mouse | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.bmcl.2011.10.109 | |||
| 1916 | 3082 | 75 | None | -15 | 24 | Mouse | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.bmcl.2011.10.109 | |||
| 5280360 | 3082 | 75 | None | -15 | 24 | Mouse | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.bmcl.2011.10.109 | |||
| 913 | 3082 | 75 | None | -15 | 24 | Mouse | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.bmcl.2011.10.109 | |||
| CHEMBL548 | 3082 | 75 | None | -15 | 24 | Mouse | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.bmcl.2011.10.109 | |||
| DB00917 | 3082 | 75 | None | -15 | 24 | Mouse | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.bmcl.2011.10.109 | |||
| 1883 | 3082 | 75 | None | -15 | 24 | Mouse | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.bmc.2012.02.018 | |||
| 1916 | 3082 | 75 | None | -15 | 24 | Mouse | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.bmc.2012.02.018 | |||
| 5280360 | 3082 | 75 | None | -15 | 24 | Mouse | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.bmc.2012.02.018 | |||
| 913 | 3082 | 75 | None | -15 | 24 | Mouse | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.bmc.2012.02.018 | |||
| CHEMBL548 | 3082 | 75 | None | -15 | 24 | Mouse | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.bmc.2012.02.018 | |||
| DB00917 | 3082 | 75 | None | -15 | 24 | Mouse | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.bmc.2012.02.018 | |||
| 57396660 | 71308 | 0 | None | -1819 | 2 | Mouse | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 544 | 10 | 2 | 6 | 5.9 | O=C(O)c1csc(SCCN2C(=O)CC[C@@H]2/C=C/[C@@H](O)Cc2cccc(-c3ccc4ccccc4c3)c2)n1 | 10.1016/j.bmc.2012.02.018 | |||
| CHEMBL1957437 | 71308 | 0 | None | -1819 | 2 | Mouse | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 544 | 10 | 2 | 6 | 5.9 | O=C(O)c1csc(SCCN2C(=O)CC[C@@H]2/C=C/[C@@H](O)Cc2cccc(-c3ccc4ccccc4c3)c2)n1 | 10.1016/j.bmc.2012.02.018 | |||
| 57396660 | 71308 | 0 | None | -1819 | 2 | Mouse | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 544 | 10 | 2 | 6 | 5.9 | O=C(O)c1csc(SCCN2C(=O)CC[C@@H]2/C=C/[C@@H](O)Cc2cccc(-c3ccc4ccccc4c3)c2)n1 | 10.1016/j.bmc.2012.04.008 | |||
| CHEMBL1957437 | 71308 | 0 | None | -1819 | 2 | Mouse | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 544 | 10 | 2 | 6 | 5.9 | O=C(O)c1csc(SCCN2C(=O)CC[C@@H]2/C=C/[C@@H](O)Cc2cccc(-c3ccc4ccccc4c3)c2)n1 | 10.1016/j.bmc.2012.04.008 | |||
| 10348321 | 75171 | 0 | None | -87 | 3 | Mouse | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 585 | 10 | 2 | 8 | 6.0 | O=C(O)c1csc(SCCN2C(=O)CC[C@@H]2/C=C/[C@@H](O)Cc2cccc(-c3nc4cc(Cl)ccc4s3)c2)n1 | 10.1016/j.bmc.2012.04.008 | |||
| CHEMBL2036325 | 75171 | 0 | None | -87 | 3 | Mouse | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 585 | 10 | 2 | 8 | 6.0 | O=C(O)c1csc(SCCN2C(=O)CC[C@@H]2/C=C/[C@@H](O)Cc2cccc(-c3nc4cc(Cl)ccc4s3)c2)n1 | 10.1016/j.bmc.2012.04.008 | |||
| 58932678 | 75288 | 0 | None | -104 | 3 | Mouse | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 549 | 10 | 2 | 8 | 5.2 | Cc1cccc2oc(-c3cccc(C[C@H](O)/C=C/[C@H]4CCC(=O)N4CCSc4nc(C(=O)O)cs4)c3)nc12 | 10.1016/j.bmc.2012.04.008 | |||
| CHEMBL2037290 | 75288 | 0 | None | -104 | 3 | Mouse | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 549 | 10 | 2 | 8 | 5.2 | Cc1cccc2oc(-c3cccc(C[C@H](O)/C=C/[C@H]4CCC(=O)N4CCSc4nc(C(=O)O)cs4)c3)nc12 | 10.1016/j.bmc.2012.04.008 | |||
| 56672020 | 64825 | 0 | None | -1 | 2 | Mouse | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 484 | 7 | 2 | 5 | 4.6 | CN1C[C@@H](COc2ccc(C(=O)Nc3cc(CC(=O)O)ccc3F)c(Cl)c2)Oc2ccccc21 | 10.1016/j.bmc.2011.08.007 | |||
| CHEMBL1819623 | 64825 | 0 | None | -1 | 2 | Mouse | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 484 | 7 | 2 | 5 | 4.6 | CN1C[C@@H](COc2ccc(C(=O)Nc3cc(CC(=O)O)ccc3F)c(Cl)c2)Oc2ccccc21 | 10.1016/j.bmc.2011.08.007 | |||
| 11337782 | 84943 | 0 | None | -12 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 373 | 10 | 2 | 3 | 3.6 | O=C(O)c1ccc(CCN2C(=O)CC[C@@H]2CC[C@@H](O)CCC2CCC2)cc1 | 10.1021/jm049290a | |||
| CHEMBL223744 | 84943 | 0 | None | -12 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 373 | 10 | 2 | 3 | 3.6 | O=C(O)c1ccc(CCN2C(=O)CC[C@@H]2CC[C@@H](O)CCC2CCC2)cc1 | 10.1021/jm049290a | |||
| 9863804 | 94098 | 0 | None | -8 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 362 | 11 | 2 | 4 | 2.7 | CCCCCC(O)CCN1CCC(=O)N1CCc1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2007.09.074 | |||
| CHEMBL249136 | 94098 | 0 | None | -8 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 362 | 11 | 2 | 4 | 2.7 | CCCCCC(O)CCN1CCC(=O)N1CCc1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2007.09.074 | |||
| 9938669 | 168058 | 0 | None | -154 | 4 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 602 | 8 | 1 | 5 | 6.2 | O=C(COc1ccccc1)NS(=O)(=O)c1ccccc1-c1ccc(CN2C(=O)c3ccccc3CCc3ccccc32)cc1 | 10.1016/s0960-894x(99)00465-5 | |||
| CHEMBL432380 | 168058 | 0 | None | -154 | 4 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 602 | 8 | 1 | 5 | 6.2 | O=C(COc1ccccc1)NS(=O)(=O)c1ccccc1-c1ccc(CN2C(=O)c3ccccc3CCc3ccccc32)cc1 | 10.1016/s0960-894x(99)00465-5 | |||
| 10113454 | 177501 | 0 | None | -1380 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 429 | 12 | 2 | 3 | 4.4 | O=C(O)CCCCCCN1C(=O)CC[C@@H]1CC[C@@H](O)Cc1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2004.01.063 | |||
| CHEMBL46395 | 177501 | 0 | None | -1380 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 429 | 12 | 2 | 3 | 4.4 | O=C(O)CCCCCCN1C(=O)CC[C@@H]1CC[C@@H](O)Cc1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2004.01.063 | |||
| 118517483 | 144271 | 0 | None | -93 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 396 | 8 | 2 | 3 | 4.2 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2ccccc2F)cc1 | nan | |||
| CHEMBL3904946 | 144271 | 0 | None | -93 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 396 | 8 | 2 | 3 | 4.2 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2ccccc2F)cc1 | nan | |||
| 11488860 | 19291 | 0 | None | -5370 | 8 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 497 | 5 | 1 | 4 | 5.7 | C[C@@H](c1ccc(C(F)(F)F)cc1)n1c2c(c3cc(F)cc(S(C)(=O)=O)c31)CCC[C@@H]2CC(=O)O | 10.1016/j.bmcl.2010.10.018 | |||
| CHEMBL1290413 | 19291 | 0 | None | -5370 | 8 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 497 | 5 | 1 | 4 | 5.7 | C[C@@H](c1ccc(C(F)(F)F)cc1)n1c2c(c3cc(F)cc(S(C)(=O)=O)c31)CCC[C@@H]2CC(=O)O | 10.1016/j.bmcl.2010.10.018 | |||
| 24760055 | 143888 | 0 | None | -2 | 2 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 411 | 10 | 2 | 4 | 4.6 | CCCCCC(O)c1ccc(N2C(=O)CC[C@@H]2COc2ccc(C(=O)O)cc2)cc1 | nan | |||
| CHEMBL3901873 | 143888 | 0 | None | -2 | 2 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 411 | 10 | 2 | 4 | 4.6 | CCCCCC(O)c1ccc(N2C(=O)CC[C@@H]2COc2ccc(C(=O)O)cc2)cc1 | nan | |||
| 24760055 | 143888 | 0 | None | -2 | 2 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 411 | 10 | 2 | 4 | 4.6 | CCCCCC(O)c1ccc(N2C(=O)CC[C@@H]2COc2ccc(C(=O)O)cc2)cc1 | nan | |||
| CHEMBL3901873 | 143888 | 0 | None | -2 | 2 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 411 | 10 | 2 | 4 | 4.6 | CCCCCC(O)c1ccc(N2C(=O)CC[C@@H]2COc2ccc(C(=O)O)cc2)cc1 | nan | |||
| 11855591 | 144436 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 435 | 9 | 2 | 5 | 4.0 | O=C(O)c1ccc(COC[C@H]2CCC(=O)N2c2ccc(C(O)Cc3ccccc3)cc2)o1 | nan | |||
| CHEMBL3906402 | 144436 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 435 | 9 | 2 | 5 | 4.0 | O=C(O)c1ccc(COC[C@H]2CCC(=O)N2c2ccc(C(O)Cc3ccccc3)cc2)o1 | nan | |||
| 11855591 | 144436 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 435 | 9 | 2 | 5 | 4.0 | O=C(O)c1ccc(COC[C@H]2CCC(=O)N2c2ccc(C(O)Cc3ccccc3)cc2)o1 | nan | |||
| CHEMBL3906402 | 144436 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 435 | 9 | 2 | 5 | 4.0 | O=C(O)c1ccc(COC[C@H]2CCC(=O)N2c2ccc(C(O)Cc3ccccc3)cc2)o1 | nan | |||
| 10414412 | 75166 | 0 | None | -6 | 3 | Mouse | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 522 | 10 | 2 | 6 | 5.4 | Cc1ccc(-c2cccc(C[C@H](O)/C=C/[C@H]3CCC(=O)N3CCSc3nc(C(=O)O)cs3)c2)c(C)c1 | 10.1016/j.bmc.2012.04.008 | |||
| CHEMBL2036320 | 75166 | 0 | None | -6 | 3 | Mouse | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 522 | 10 | 2 | 6 | 5.4 | Cc1ccc(-c2cccc(C[C@H](O)/C=C/[C@H]3CCC(=O)N3CCSc3nc(C(=O)O)cs3)c2)c(C)c1 | 10.1016/j.bmc.2012.04.008 | |||
| 11408533 | 141327 | 0 | None | -89 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 459 | 6 | 1 | 5 | 4.5 | CC(=O)c1cc(S(C)(=O)=O)cc2c3c(n(Cc4ccc(Cl)cc4)c12)[C@@H](CC(=O)O)CC3 | 10.1016/j.bmcl.2006.02.062 | |||
| CHEMBL383484 | 141327 | 0 | None | -89 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 459 | 6 | 1 | 5 | 4.5 | CC(=O)c1cc(S(C)(=O)=O)cc2c3c(n(Cc4ccc(Cl)cc4)c12)[C@@H](CC(=O)O)CC3 | 10.1016/j.bmcl.2006.02.062 | |||
| 11408533 | 141327 | 0 | None | -89 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 459 | 6 | 1 | 5 | 4.5 | CC(=O)c1cc(S(C)(=O)=O)cc2c3c(n(Cc4ccc(Cl)cc4)c12)[C@@H](CC(=O)O)CC3 | 10.1021/jm0603668 | |||
| CHEMBL383484 | 141327 | 0 | None | -89 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 459 | 6 | 1 | 5 | 4.5 | CC(=O)c1cc(S(C)(=O)=O)cc2c3c(n(Cc4ccc(Cl)cc4)c12)[C@@H](CC(=O)O)CC3 | 10.1021/jm0603668 | |||
| 11743212 | 17164 | 0 | None | -758 | 7 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 426 | 7 | 1 | 3 | 6.8 | O=C(O)C1CC1c1ccccc1-c1csc(-c2ccccc2OCc2ccccc2)c1 | 10.1016/s0960-894x(03)00794-7 | |||
| CHEMBL125588 | 17164 | 0 | None | -758 | 7 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 426 | 7 | 1 | 3 | 6.8 | O=C(O)C1CC1c1ccccc1-c1csc(-c2ccccc2OCc2ccccc2)c1 | 10.1016/s0960-894x(03)00794-7 | |||
| 56658143 | 64805 | 0 | None | -16 | 6 | Mouse | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 468 | 8 | 2 | 6 | 3.4 | CN1C[C@@H](COc2ccc(S(=O)(=O)Nc3cccc(CC(=O)O)c3)cc2)Oc2ccccc21 | 10.1016/j.bmc.2011.08.007 | |||
| CHEMBL1819604 | 64805 | 0 | None | -16 | 6 | Mouse | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 468 | 8 | 2 | 6 | 3.4 | CN1C[C@@H](COc2ccc(S(=O)(=O)Nc3cccc(CC(=O)O)c3)cc2)Oc2ccccc21 | 10.1016/j.bmc.2011.08.007 | |||
| 9809136 | 106889 | 0 | None | -2290 | 8 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 614 | 7 | 1 | 4 | 7.1 | CC(C)(C(=O)NS(=O)(=O)c1ccccc1-c1ccc(CN2C(=O)c3ccccc3CCc3ccccc32)cc1)c1ccccc1 | 10.1016/s0960-894x(99)00465-5 | |||
| CHEMBL314533 | 106889 | 0 | None | -2290 | 8 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 614 | 7 | 1 | 4 | 7.1 | CC(C)(C(=O)NS(=O)(=O)c1ccccc1-c1ccc(CN2C(=O)c3ccccc3CCc3ccccc32)cc1)c1ccccc1 | 10.1016/s0960-894x(99)00465-5 | |||
| 9874010 | 207190 | 0 | None | -1348 | 8 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 629 | 8 | 1 | 4 | 6.9 | CN(CCc1ccccc1)C(=O)NS(=O)(=O)c1ccccc1-c1ccc(CN2C(=O)c3ccccc3CCc3ccccc32)cc1 | 10.1016/s0960-894x(99)00465-5 | |||
| CHEMBL92539 | 207190 | 0 | None | -1348 | 8 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 629 | 8 | 1 | 4 | 6.9 | CN(CCc1ccccc1)C(=O)NS(=O)(=O)c1ccccc1-c1ccc(CN2C(=O)c3ccccc3CCc3ccccc32)cc1 | 10.1016/s0960-894x(99)00465-5 | |||
| 10229201 | 155576 | 0 | None | -87 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 508 | 9 | 2 | 4 | 3.0 | O=C(O)c1ccc(CCN2C(=O)CCN2CCC(O)Cc2cccc(I)c2)cc1 | 10.1016/j.bmcl.2007.09.074 | |||
| CHEMBL404414 | 155576 | 0 | None | -87 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 508 | 9 | 2 | 4 | 3.0 | O=C(O)c1ccc(CCN2C(=O)CCN2CCC(O)Cc2cccc(I)c2)cc1 | 10.1016/j.bmcl.2007.09.074 | |||
| 10076580 | 75289 | 0 | None | -158 | 3 | Mouse | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 563 | 10 | 2 | 8 | 5.5 | Cc1cc(C)c2oc(-c3cccc(C[C@H](O)/C=C/[C@H]4CCC(=O)N4CCSc4nc(C(=O)O)cs4)c3)nc2c1 | 10.1016/j.bmc.2012.04.008 | |||
| CHEMBL2037291 | 75289 | 0 | None | -158 | 3 | Mouse | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 563 | 10 | 2 | 8 | 5.5 | Cc1cc(C)c2oc(-c3cccc(C[C@H](O)/C=C/[C@H]4CCC(=O)N4CCSc4nc(C(=O)O)cs4)c3)nc2c1 | 10.1016/j.bmc.2012.04.008 | |||
| 132836 | 59695 | 23 | None | 1 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 388 | 13 | 2 | 3 | 5.8 | CCCCCC(O)c1ccc([C@H]2CCC(=O)[C@@H]2CCCCCCC(=O)O)cc1 | 10.1021/jm401431x | |||
| CHEMBL1722929 | 59695 | 23 | None | 1 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 388 | 13 | 2 | 3 | 5.8 | CCCCCC(O)c1ccc([C@H]2CCC(=O)[C@@H]2CCCCCCC(=O)O)cc1 | 10.1021/jm401431x | |||
| 57403799 | 69469 | 0 | None | -6 | 2 | Mouse | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 398 | 9 | 2 | 5 | 2.8 | Cc1cccc(C[C@H](O)/C=C/[C@H]2CCC(=O)N2CCCc2nc(C(=O)O)co2)c1 | 10.1016/j.bmcl.2011.10.109 | |||
| CHEMBL1933720 | 69469 | 0 | None | -6 | 2 | Mouse | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 398 | 9 | 2 | 5 | 2.8 | Cc1cccc(C[C@H](O)/C=C/[C@H]2CCC(=O)N2CCCc2nc(C(=O)O)co2)c1 | 10.1016/j.bmcl.2011.10.109 | |||
| 57403799 | 69469 | 0 | None | -6 | 2 | Mouse | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 398 | 9 | 2 | 5 | 2.8 | Cc1cccc(C[C@H](O)/C=C/[C@H]2CCC(=O)N2CCCc2nc(C(=O)O)co2)c1 | 10.1016/j.bmc.2012.02.018 | |||
| CHEMBL1933720 | 69469 | 0 | None | -6 | 2 | Mouse | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 398 | 9 | 2 | 5 | 2.8 | Cc1cccc(C[C@H](O)/C=C/[C@H]2CCC(=O)N2CCCc2nc(C(=O)O)co2)c1 | 10.1016/j.bmc.2012.02.018 | |||
| 5311035 | 97803 | 29 | None | -4 | 9 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 408 | 13 | 2 | 5 | 4.3 | CCCC1([C@H](O)C/C=C/[C@H]2[C@H](O)CC(=O)[C@@H]2CCCCCCC(=O)OC)CCC1 | 10.1021/jm401431x | |||
| CHEMBL271896 | 97803 | 29 | None | -4 | 9 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 408 | 13 | 2 | 5 | 4.3 | CCCC1([C@H](O)C/C=C/[C@H]2[C@H](O)CC(=O)[C@@H]2CCCCCCC(=O)OC)CCC1 | 10.1021/jm401431x | |||
| 44303980 | 168074 | 0 | None | - | 1 | Mouse | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 408 | 13 | 2 | 5 | 4.3 | CCCC1([C@@H](O)C/C=C/C2[C@H](O)CC(=O)[C@@H]2CCCCCCC(=O)OC)CCC1 | 10.1016/s0960-894x(01)00359-6 | |||
| CHEMBL432522 | 168074 | 0 | None | - | 1 | Mouse | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 408 | 13 | 2 | 5 | 4.3 | CCCC1([C@@H](O)C/C=C/C2[C@H](O)CC(=O)[C@@H]2CCCCCCC(=O)OC)CCC1 | 10.1016/s0960-894x(01)00359-6 | |||
| 22009004 | 141751 | 0 | None | -2884 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 545 | 11 | 1 | 6 | 6.1 | COc1cc(C/C=C/c2ccccc2/C=C/C(=O)NS(=O)(=O)c2cccs2)ccc1OCc1ccccc1 | 10.1021/ml300191g | |||
| CHEMBL385955 | 141751 | 0 | None | -2884 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 545 | 11 | 1 | 6 | 6.1 | COc1cc(C/C=C/c2ccccc2/C=C/C(=O)NS(=O)(=O)c2cccs2)ccc1OCc1ccccc1 | 10.1021/ml300191g | |||
| 10270893 | 94228 | 0 | None | -1 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 376 | 12 | 2 | 4 | 3.1 | CCCCCC(O)CCCN1CCC(=O)N1CCc1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2007.09.074 | |||
| CHEMBL249954 | 94228 | 0 | None | -1 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 376 | 12 | 2 | 4 | 3.1 | CCCCCC(O)CCCN1CCC(=O)N1CCc1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2007.09.074 | |||
| 44303889 | 203217 | 0 | None | - | 1 | Mouse | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 414 | 10 | 3 | 4 | 4.2 | CCCC1([C@@H](O)C/C=C/C2[C@H](O)CC(=O)[C@@H]2CCc2ccc(C(=O)O)cc2)CCC1 | 10.1016/s0960-894x(01)00359-6 | |||
| CHEMBL64423 | 203217 | 0 | None | - | 1 | Mouse | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 414 | 10 | 3 | 4 | 4.2 | CCCC1([C@@H](O)C/C=C/C2[C@H](O)CC(=O)[C@@H]2CCc2ccc(C(=O)O)cc2)CCC1 | 10.1016/s0960-894x(01)00359-6 | |||
| 17751059 | 148268 | 0 | None | 56 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 440 | 12 | 2 | 2 | 6.8 | CCCCCC(O)c1ccc([C@H]2[C@H](Cl)C[C@@H](Cl)[C@@H]2C/C=C\CCCC(=O)O)cc1 | nan | |||
| CHEMBL3936540 | 148268 | 0 | None | 56 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 440 | 12 | 2 | 2 | 6.8 | CCCCCC(O)c1ccc([C@H]2[C@H](Cl)C[C@@H](Cl)[C@@H]2C/C=C\CCCC(=O)O)cc1 | nan | |||
| 21974328 | 66270 | 0 | None | -26 | 5 | Mouse | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 443 | 6 | 1 | 6 | 4.4 | Cc1cc2c(CC(=O)O)cccc2n1C(=O)c1ccc(OCC2Oc3ccccc3O2)cc1 | 10.1016/j.bmcl.2004.07.039 | |||
| CHEMBL184684 | 66270 | 0 | None | -26 | 5 | Mouse | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 443 | 6 | 1 | 6 | 4.4 | Cc1cc2c(CC(=O)O)cccc2n1C(=O)c1ccc(OCC2Oc3ccccc3O2)cc1 | 10.1016/j.bmcl.2004.07.039 | |||
| 10228100 | 64414 | 0 | None | -43 | 5 | Mouse | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 488 | 6 | 1 | 6 | 4.7 | Cc1c(CC(=O)O)c2cc(F)ccc2n1C(=O)c1ccc(OC[C@@H]2CN(C)c3ccccc3O2)cc1 | 10.1016/j.bmc.2011.06.014 | |||
| CHEMBL1813118 | 64414 | 0 | None | -43 | 5 | Mouse | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 488 | 6 | 1 | 6 | 4.7 | Cc1c(CC(=O)O)c2cc(F)ccc2n1C(=O)c1ccc(OC[C@@H]2CN(C)c3ccccc3O2)cc1 | 10.1016/j.bmc.2011.06.014 | |||
| 44349551 | 16814 | 0 | None | -47 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 415 | 8 | 2 | 4 | 6.2 | O=C(O)CNc1ccccc1-c1csc(-c2ccccc2OCc2ccccc2)c1 | 10.1016/s0960-894x(03)00794-7 | |||
| CHEMBL124675 | 16814 | 0 | None | -47 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 415 | 8 | 2 | 4 | 6.2 | O=C(O)CNc1ccccc1-c1csc(-c2ccccc2OCc2ccccc2)c1 | 10.1016/s0960-894x(03)00794-7 | |||
| 10158725 | 16828 | 0 | None | -109 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 414 | 8 | 1 | 3 | 6.7 | O=C(O)CCc1ccccc1-c1csc(-c2ccccc2OCc2ccccc2)c1 | 10.1016/s0960-894x(03)00794-7 | |||
| CHEMBL124738 | 16828 | 0 | None | -109 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 414 | 8 | 1 | 3 | 6.7 | O=C(O)CCc1ccccc1-c1csc(-c2ccccc2OCc2ccccc2)c1 | 10.1016/s0960-894x(03)00794-7 | |||
| 44320405 | 106165 | 0 | None | -5 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 521 | 11 | 1 | 5 | 6.2 | O=C(NS(=O)(=O)CCc1ccccc1-c1ccc(CSCCc2ccccc2)cc1)c1cccs1 | 10.1016/s0960-894x(02)00518-8 | |||
| CHEMBL313700 | 106165 | 0 | None | -5 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 521 | 11 | 1 | 5 | 6.2 | O=C(NS(=O)(=O)CCc1ccccc1-c1ccc(CSCCc2ccccc2)cc1)c1cccs1 | 10.1016/s0960-894x(02)00518-8 | |||
| 52944194 | 16543 | 0 | None | -194 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 936 | 18 | 4 | 6 | 12.8 | O=C(O)/C=C/c1ccccc1/C=C/Cc1cccc(CO)c1OCc1c(Cl)cccc1Cl.O=C(O)/C=C/c1ccccc1C/C=C/c1cccc(CO)c1OCc1c(Cl)cccc1Cl | 10.1016/j.bmcl.2004.11.051 | |||
| CHEMBL1237305 | 16543 | 0 | None | -194 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 936 | 18 | 4 | 6 | 12.8 | O=C(O)/C=C/c1ccccc1/C=C/Cc1cccc(CO)c1OCc1c(Cl)cccc1Cl.O=C(O)/C=C/c1ccccc1C/C=C/c1cccc(CO)c1OCc1c(Cl)cccc1Cl | 10.1016/j.bmcl.2004.11.051 | |||
| 52947852 | 16546 | 0 | None | -37 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 588 | 12 | 2 | 4 | 8.1 | COc1ccc(/C=C/Cc2ccccc2/C=C/C(=O)O)cc1.COc1ccc(C/C=C/c2ccccc2/C=C/C(=O)O)cc1 | 10.1016/j.bmcl.2004.11.051 | |||
| CHEMBL1237316 | 16546 | 0 | None | -37 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 588 | 12 | 2 | 4 | 8.1 | COc1ccc(/C=C/Cc2ccccc2/C=C/C(=O)O)cc1.COc1ccc(C/C=C/c2ccccc2/C=C/C(=O)O)cc1 | 10.1016/j.bmcl.2004.11.051 | |||
| 52947852 | 16546 | 0 | None | -37 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 588 | 12 | 2 | 4 | 8.1 | COc1ccc(/C=C/Cc2ccccc2/C=C/C(=O)O)cc1.COc1ccc(C/C=C/c2ccccc2/C=C/C(=O)O)cc1 | 10.1016/j.bmcl.2006.08.025 | |||
| CHEMBL1237316 | 16546 | 0 | None | -37 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 588 | 12 | 2 | 4 | 8.1 | COc1ccc(/C=C/Cc2ccccc2/C=C/C(=O)O)cc1.COc1ccc(C/C=C/c2ccccc2/C=C/C(=O)O)cc1 | 10.1016/j.bmcl.2006.08.025 | |||
| 44419388 | 83415 | 0 | None | -37 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 294 | 6 | 1 | 2 | 4.0 | COc1ccc(/C=C/Cc2ccccc2/C=C/C(=O)O)cc1 | 10.1016/j.bmcl.2006.08.025 | |||
| CHEMBL219590 | 83415 | 0 | None | -37 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 294 | 6 | 1 | 2 | 4.0 | COc1ccc(/C=C/Cc2ccccc2/C=C/C(=O)O)cc1 | 10.1016/j.bmcl.2006.08.025 | |||
| 11339240 | 84728 | 0 | None | -3548 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 423 | 10 | 2 | 4 | 3.2 | COCc1cccc(C[C@H](O)/C=C/[C@H]2CCC(=O)N2CCc2ccc(C(=O)O)cc2)c1 | 10.1021/jm049290a | |||
| CHEMBL222834 | 84728 | 0 | None | -3548 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 423 | 10 | 2 | 4 | 3.2 | COCc1cccc(C[C@H](O)/C=C/[C@H]2CCC(=O)N2CCc2ccc(C(=O)O)cc2)c1 | 10.1021/jm049290a | |||
| 9885106 | 84773 | 0 | None | -1258 | 6 | Mouse | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 357 | 13 | 2 | 4 | 3.1 | CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)N1CCSCCCC(=O)O | 10.1016/j.bmcl.2011.10.109 | |||
| CHEMBL223151 | 84773 | 0 | None | -1258 | 6 | Mouse | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 357 | 13 | 2 | 4 | 3.1 | CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)N1CCSCCCC(=O)O | 10.1016/j.bmcl.2011.10.109 | |||
| 9885106 | 84773 | 0 | None | -1258 | 6 | Mouse | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 357 | 13 | 2 | 4 | 3.1 | CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)N1CCSCCCC(=O)O | 10.1016/j.bmc.2012.02.018 | |||
| CHEMBL223151 | 84773 | 0 | None | -1258 | 6 | Mouse | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 357 | 13 | 2 | 4 | 3.1 | CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)N1CCSCCCC(=O)O | 10.1016/j.bmc.2012.02.018 | |||
| 44304258 | 102356 | 0 | None | -114 | 3 | Mouse | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 424 | 11 | 3 | 6 | 2.7 | Cc1ccccc1C[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1SCCCSCC(=O)O | 10.1016/s0960-894x(01)00364-x | |||
| CHEMBL303787 | 102356 | 0 | None | -114 | 3 | Mouse | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 424 | 11 | 3 | 6 | 2.7 | Cc1ccccc1C[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1SCCCSCC(=O)O | 10.1016/s0960-894x(01)00364-x | |||
| 44455158 | 97721 | 0 | None | -933 | 2 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 331 | 8 | 2 | 3 | 2.6 | CCC[C@H](O)/C=C/[C@H]1CCC(=O)N1CCc1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2007.11.020 | |||
| CHEMBL271488 | 97721 | 0 | None | -933 | 2 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 331 | 8 | 2 | 3 | 2.6 | CCC[C@H](O)/C=C/[C@H]1CCC(=O)N1CCc1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2007.11.020 | |||
| 9821171 | 97866 | 0 | None | -51286 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 379 | 8 | 2 | 3 | 3.1 | O=C(O)c1ccc(CCN2C(=O)CC[C@@H]2/C=C/[C@@H](O)Cc2ccccc2)cc1 | 10.1016/j.bmcl.2007.11.020 | |||
| CHEMBL272276 | 97866 | 0 | None | -51286 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 379 | 8 | 2 | 3 | 3.1 | O=C(O)c1ccc(CCN2C(=O)CC[C@@H]2/C=C/[C@@H](O)Cc2ccccc2)cc1 | 10.1016/j.bmcl.2007.11.020 | |||
| 44304011 | 202808 | 0 | None | -83 | 3 | Mouse | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 440 | 12 | 3 | 7 | 2.4 | COc1ccccc1C[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1SCCCSCC(=O)O | 10.1016/s0960-894x(01)00364-x | |||
| CHEMBL62305 | 202808 | 0 | None | -83 | 3 | Mouse | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 440 | 12 | 3 | 7 | 2.4 | COc1ccccc1C[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1SCCCSCC(=O)O | 10.1016/s0960-894x(01)00364-x | |||
| 44290263 | 101329 | 0 | None | -3235 | 2 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 453 | 12 | 3 | 4 | 5.2 | Cc1cc(O)ccc1-c1cccc([C@H](O)CC[C@H]2CCC(=O)N2CCCCCCC(=O)O)c1 | 10.1016/j.bmcl.2004.01.063 | |||
| CHEMBL296715 | 101329 | 0 | None | -3235 | 2 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 453 | 12 | 3 | 4 | 5.2 | Cc1cc(O)ccc1-c1cccc([C@H](O)CC[C@H]2CCC(=O)N2CCCCCCC(=O)O)c1 | 10.1016/j.bmcl.2004.01.063 | |||
| 77050677 | 128584 | 0 | None | -588 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 385 | 10 | 2 | 4 | 3.7 | CC(C)[C@@H](OCCOc1ccccc1)C(=O)N[C@@H](C)c1ccc(C(=O)O)cc1 | nan | |||
| CHEMBL3667607 | 128584 | 0 | None | -588 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 385 | 10 | 2 | 4 | 3.7 | CC(C)[C@@H](OCCOc1ccccc1)C(=O)N[C@@H](C)c1ccc(C(=O)O)cc1 | nan | |||
| 11855325 | 144691 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 387 | 6 | 1 | 4 | 4.5 | CC(C)(C)c1ccc(N2C(=O)CC[C@@H]2COCc2ccc(C(=O)O)s2)cc1 | nan | |||
| CHEMBL3908484 | 144691 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 387 | 6 | 1 | 4 | 4.5 | CC(C)(C)c1ccc(N2C(=O)CC[C@@H]2COCc2ccc(C(=O)O)s2)cc1 | nan | |||
| 21362900 | 205840 | 0 | None | -58 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 521 | 11 | 1 | 5 | 6.3 | O=C(CCc1ccccc1-c1ccc(CSCCc2ccccc2)cc1)NS(=O)(=O)c1cccs1 | 10.1016/s0960-894x(02)00518-8 | |||
| CHEMBL83518 | 205840 | 0 | None | -58 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 521 | 11 | 1 | 5 | 6.3 | O=C(CCc1ccccc1-c1ccc(CSCCc2ccccc2)cc1)NS(=O)(=O)c1cccs1 | 10.1016/s0960-894x(02)00518-8 | |||
| 11418818 | 66662 | 0 | None | -14 | 4 | Mouse | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 423 | 10 | 1 | 5 | 5.2 | CCCCOc1ccc(C(=O)n2c(C)c(CCCC(=O)O)c3cc(OC)ccc32)cc1 | 10.1016/j.bmcl.2004.06.006 | |||
| CHEMBL185369 | 66662 | 0 | None | -14 | 4 | Mouse | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 423 | 10 | 1 | 5 | 5.2 | CCCCOc1ccc(C(=O)n2c(C)c(CCCC(=O)O)c3cc(OC)ccc32)cc1 | 10.1016/j.bmcl.2004.06.006 | |||
| 53358921 | 64441 | 0 | None | -562 | 6 | Mouse | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 482 | 7 | 1 | 5 | 5.4 | CCN1c2ccccc2C[C@@H]1COc1ccc(C(=O)n2c(C)c(CC(=O)O)c3ccccc32)c(C)c1 | 10.1016/j.bmc.2011.06.014 | |||
| CHEMBL1813287 | 64441 | 0 | None | -562 | 6 | Mouse | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 482 | 7 | 1 | 5 | 5.4 | CCN1c2ccccc2C[C@@H]1COc1ccc(C(=O)n2c(C)c(CC(=O)O)c3ccccc32)c(C)c1 | 10.1016/j.bmc.2011.06.014 | |||
| 10181606 | 206351 | 0 | None | -645 | 7 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 437 | 5 | 1 | 4 | 5.2 | O=C(/C=C/c1ccccc1-c1ccc(Cl)c(Cl)c1)NS(=O)(=O)c1cccs1 | 10.1016/s0960-894x(02)00518-8 | |||
| CHEMBL87371 | 206351 | 0 | None | -645 | 7 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 437 | 5 | 1 | 4 | 5.2 | O=C(/C=C/c1ccccc1-c1ccc(Cl)c(Cl)c1)NS(=O)(=O)c1cccs1 | 10.1016/s0960-894x(02)00518-8 | |||
| 118517360 | 143975 | 0 | None | -1380 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 412 | 8 | 2 | 3 | 4.7 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2cccc(Cl)c2)cc1 | nan | |||
| CHEMBL3902700 | 143975 | 0 | None | -1380 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 412 | 8 | 2 | 3 | 4.7 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2cccc(Cl)c2)cc1 | nan | |||
| 44444714 | 94138 | 0 | None | 2 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 362 | 10 | 2 | 4 | 2.6 | CCCC(C)C(O)CCN1CCC(=O)N1CCc1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2007.09.074 | |||
| CHEMBL249341 | 94138 | 0 | None | 2 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 362 | 10 | 2 | 4 | 2.6 | CCCC(C)C(O)CCN1CCC(=O)N1CCc1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2007.09.074 | |||
| 57893848 | 75169 | 0 | None | -234 | 2 | Mouse | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 535 | 10 | 2 | 8 | 4.9 | O=C(O)c1csc(SCCN2C(=O)CC[C@@H]2/C=C/[C@@H](O)Cc2cccc(-c3nc4ccccc4o3)c2)n1 | 10.1016/j.bmc.2012.04.008 | |||
| CHEMBL2036323 | 75169 | 0 | None | -234 | 2 | Mouse | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 535 | 10 | 2 | 8 | 4.9 | O=C(O)c1csc(SCCN2C(=O)CC[C@@H]2/C=C/[C@@H](O)Cc2cccc(-c3nc4ccccc4o3)c2)n1 | 10.1016/j.bmc.2012.04.008 | |||
| 21974362 | 122044 | 0 | None | -1 | 4 | Mouse | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 455 | 6 | 1 | 5 | 4.9 | Cc1cc2c(CC(=O)O)cccc2n1C(=O)c1ccc(OCC2COc3ccccc3C2)cc1 | 10.1016/j.bmcl.2004.07.039 | |||
| CHEMBL359564 | 122044 | 0 | None | -1 | 4 | Mouse | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 455 | 6 | 1 | 5 | 4.9 | Cc1cc2c(CC(=O)O)cccc2n1C(=O)c1ccc(OCC2COc3ccccc3C2)cc1 | 10.1016/j.bmcl.2004.07.039 | |||
| 9886718 | 203163 | 0 | None | -398 | 4 | Mouse | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 390 | 13 | 3 | 6 | 2.7 | CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1SCCCSCC(=O)O | 10.1016/s0960-894x(01)00364-x | |||
| CHEMBL64217 | 203163 | 0 | None | -398 | 4 | Mouse | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 390 | 13 | 3 | 6 | 2.7 | CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1SCCCSCC(=O)O | 10.1016/s0960-894x(01)00364-x | |||
| 118175009 | 136685 | 0 | None | -812 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 429 | 4 | 2 | 2 | 6.7 | Cc1ccc(C(=O)O)c(C)c1NC(=O)c1cc(-c2cccc(Cl)c2)cc2ccccc12 | 10.1016/j.bmcl.2015.11.023 | |||
| CHEMBL3740325 | 136685 | 0 | None | -812 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 429 | 4 | 2 | 2 | 6.7 | Cc1ccc(C(=O)O)c(C)c1NC(=O)c1cc(-c2cccc(Cl)c2)cc2ccccc12 | 10.1016/j.bmcl.2015.11.023 | |||
| 10157813 | 201616 | 0 | None | -177 | 4 | Mouse | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 400 | 9 | 1 | 4 | 4.7 | O=C(O)CCc1ccc(Cn2cccn2)cc1OCCc1ccc2ccccc2c1 | 10.1016/j.bmc.2009.08.007 | |||
| CHEMBL605833 | 201616 | 0 | None | -177 | 4 | Mouse | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 400 | 9 | 1 | 4 | 4.7 | O=C(O)CCc1ccc(Cn2cccn2)cc1OCCc1ccc2ccccc2c1 | 10.1016/j.bmc.2009.08.007 | |||
| 59465587 | 145190 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 372 | 13 | 2 | 2 | 6.5 | CCCCCC(O)c1ccc([C@H]2CCC=C2CCCCCCC(=O)O)cc1 | nan | |||
| CHEMBL3912391 | 145190 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 372 | 13 | 2 | 2 | 6.5 | CCCCCC(O)c1ccc([C@H]2CCC=C2CCCCCCC(=O)O)cc1 | nan | |||
| 10205205 | 94168 | 0 | None | -47 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 466 | 10 | 2 | 5 | 3.3 | O=C(O)c1ccc(CCN2C(=O)CCN2CCC(O)Cc2cccc(OC(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2007.09.074 | |||
| CHEMBL249539 | 94168 | 0 | None | -47 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 466 | 10 | 2 | 5 | 3.3 | O=C(O)c1ccc(CCN2C(=O)CCN2CCC(O)Cc2cccc(OC(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2007.09.074 | |||
| 10089562 | 154422 | 0 | None | 5 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 355 | 9 | 1 | 2 | 4.6 | CCCC/C=C(C)/C=C/[C@H]1CCC(=O)N1CCc1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2007.05.025 | |||
| CHEMBL398948 | 154422 | 0 | None | 5 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 355 | 9 | 1 | 2 | 4.6 | CCCC/C=C(C)/C=C/[C@H]1CCC(=O)N1CCc1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2007.05.025 | |||
| 44304335 | 202978 | 0 | None | -37 | 4 | Mouse | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 422 | 10 | 4 | 4 | 4.0 | Cc1cc(C[C@H](O)/C=C/[C@H]2[C@H](O)C[C@@H](Cl)[C@@H]2C/C=C/CCCC(=O)O)ccc1O | 10.1016/s0960-894x(01)00365-1 | |||
| CHEMBL63061 | 202978 | 0 | None | -37 | 4 | Mouse | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 422 | 10 | 4 | 4 | 4.0 | Cc1cc(C[C@H](O)/C=C/[C@H]2[C@H](O)C[C@@H](Cl)[C@@H]2C/C=C/CCCC(=O)O)ccc1O | 10.1016/s0960-894x(01)00365-1 | |||
| 21362879 | 16568 | 0 | None | -107 | 4 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 414 | 8 | 1 | 3 | 6.7 | O=C(O)CCc1ccccc1-c1cc(-c2ccccc2OCc2ccccc2)cs1 | 10.1016/s0960-894x(03)00794-7 | |||
| CHEMBL123855 | 16568 | 0 | None | -107 | 4 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 414 | 8 | 1 | 3 | 6.7 | O=C(O)CCc1ccccc1-c1cc(-c2ccccc2OCc2ccccc2)cs1 | 10.1016/s0960-894x(03)00794-7 | |||
| 21362853 | 18532 | 0 | None | -32 | 4 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 408 | 8 | 1 | 2 | 6.6 | O=C(O)CCc1ccccc1-c1cccc(-c2ccccc2COc2ccccc2)c1 | 10.1016/s0960-894x(03)00794-7 | |||
| CHEMBL127482 | 18532 | 0 | None | -32 | 4 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 408 | 8 | 1 | 2 | 6.6 | O=C(O)CCc1ccccc1-c1cccc(-c2ccccc2COc2ccccc2)c1 | 10.1016/s0960-894x(03)00794-7 | |||
| 12112239 | 106560 | 0 | None | -8 | 4 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 549 | 12 | 1 | 6 | 6.3 | Cc1cccc(OCCCOc2ccc(-c3ccccc3CC(C)C(=O)NS(=O)(=O)c3cccs3)cc2)c1 | 10.1016/s0960-894x(02)00518-8 | |||
| CHEMBL314200 | 106560 | 0 | None | -8 | 4 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 549 | 12 | 1 | 6 | 6.3 | Cc1cccc(OCCCOc2ccc(-c3ccccc3CC(C)C(=O)NS(=O)(=O)c3cccs3)cc2)c1 | 10.1016/s0960-894x(02)00518-8 | |||
| 21362893 | 206327 | 0 | None | -54 | 4 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 535 | 12 | 1 | 6 | 6.0 | Cc1cccc(OCCCOc2ccc(-c3ccccc3CCC(=O)NS(=O)(=O)c3cccs3)cc2)c1 | 10.1016/s0960-894x(02)00518-8 | |||
| CHEMBL87263 | 206327 | 0 | None | -54 | 4 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 535 | 12 | 1 | 6 | 6.0 | Cc1cccc(OCCCOc2ccc(-c3ccccc3CCC(=O)NS(=O)(=O)c3cccs3)cc2)c1 | 10.1016/s0960-894x(02)00518-8 | |||
| 44320321 | 206434 | 0 | None | -6 | 4 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 563 | 12 | 1 | 6 | 6.6 | Cc1cccc(OCCCOc2ccc(-c3ccccc3CC(C)(C)C(=O)NS(=O)(=O)c3cccs3)cc2)c1 | 10.1016/s0960-894x(02)00518-8 | |||
| CHEMBL87975 | 206434 | 0 | None | -6 | 4 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 563 | 12 | 1 | 6 | 6.6 | Cc1cccc(OCCCOc2ccc(-c3ccccc3CC(C)(C)C(=O)NS(=O)(=O)c3cccs3)cc2)c1 | 10.1016/s0960-894x(02)00518-8 | |||
| 52941777 | 16540 | 0 | None | 1 | 4 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 744 | 16 | 2 | 4 | 10.9 | Cc1cccc(/C=C/Cc2ccccc2CC(=O)O)c1OCc1ccccc1.Cc1cccc(C/C=C/c2ccccc2CC(=O)O)c1OCc1ccccc1 | 10.1016/j.bmcl.2004.11.051 | |||
| CHEMBL1237302 | 16540 | 0 | None | 1 | 4 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 744 | 16 | 2 | 4 | 10.9 | Cc1cccc(/C=C/Cc2ccccc2CC(=O)O)c1OCc1ccccc1.Cc1cccc(C/C=C/c2ccccc2CC(=O)O)c1OCc1ccccc1 | 10.1016/j.bmcl.2004.11.051 | |||
| 44393681 | 66861 | 0 | None | -1 | 3 | Mouse | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 409 | 9 | 1 | 5 | 5.2 | CCCCOc1ccc(C(=O)n2c(CCC)c(C(=O)O)c3cc(OC)ccc32)cc1 | 10.1016/j.bmcl.2004.06.006 | |||
| CHEMBL186244 | 66861 | 0 | None | -1 | 3 | Mouse | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 409 | 9 | 1 | 5 | 5.2 | CCCCOc1ccc(C(=O)n2c(CCC)c(C(=O)O)c3cc(OC)ccc32)cc1 | 10.1016/j.bmcl.2004.06.006 | |||
| 10202765 | 172687 | 0 | None | -18197 | 3 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 427 | 11 | 2 | 3 | 4.2 | O=C(O)CCCCCCN1C(=O)CC[C@@H]1/C=C/[C@@H](O)Cc1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2004.01.063 | |||
| CHEMBL45008 | 172687 | 0 | None | -18197 | 3 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 427 | 11 | 2 | 3 | 4.2 | O=C(O)CCCCCCN1C(=O)CC[C@@H]1/C=C/[C@@H](O)Cc1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2004.01.063 | |||
| 71458758 | 120862 | 0 | None | -21 | 4 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 615 | 14 | 1 | 4 | 7.8 | COc1cc(C/C=C/c2ccccc2/C=C/C(=O)O)ccc1OCC[n+]1c(C)cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc1C | 10.1021/ml300191g | |||
| CHEMBL2164612 | 120862 | 0 | None | -21 | 4 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 615 | 14 | 1 | 4 | 7.8 | COc1cc(C/C=C/c2ccccc2/C=C/C(=O)O)ccc1OCC[n+]1c(C)cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc1C | 10.1021/ml300191g | |||
| CHEMBL3558858 | 120862 | 0 | None | -21 | 4 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 615 | 14 | 1 | 4 | 7.8 | COc1cc(C/C=C/c2ccccc2/C=C/C(=O)O)ccc1OCC[n+]1c(C)cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc1C | 10.1021/ml300191g | |||
| 57396825 | 69473 | 0 | None | -6 | 4 | Mouse | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 398 | 11 | 2 | 6 | 3.4 | CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)N1CCSc1nc(C(=O)O)cs1 | 10.1016/j.bmcl.2011.10.109 | |||
| CHEMBL1933724 | 69473 | 0 | None | -6 | 4 | Mouse | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 398 | 11 | 2 | 6 | 3.4 | CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)N1CCSc1nc(C(=O)O)cs1 | 10.1016/j.bmcl.2011.10.109 | |||
| 57396825 | 69473 | 0 | None | -6 | 4 | Mouse | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 398 | 11 | 2 | 6 | 3.4 | CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)N1CCSc1nc(C(=O)O)cs1 | 10.1016/j.bmc.2012.02.018 | |||
| CHEMBL1933724 | 69473 | 0 | None | -6 | 4 | Mouse | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 398 | 11 | 2 | 6 | 3.4 | CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)N1CCSc1nc(C(=O)O)cs1 | 10.1016/j.bmc.2012.02.018 | |||
| 57394893 | 71306 | 0 | None | -3 | 4 | Mouse | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 494 | 10 | 2 | 6 | 4.8 | O=C(O)c1csc(SCCN2C(=O)CC[C@@H]2/C=C/[C@@H](O)Cc2cccc(-c3ccccc3)c2)n1 | 10.1016/j.bmc.2012.02.018 | |||
| CHEMBL1957435 | 71306 | 0 | None | -3 | 4 | Mouse | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 494 | 10 | 2 | 6 | 4.8 | O=C(O)c1csc(SCCN2C(=O)CC[C@@H]2/C=C/[C@@H](O)Cc2cccc(-c3ccccc3)c2)n1 | 10.1016/j.bmc.2012.02.018 | |||
| 57394893 | 71306 | 0 | None | -3 | 4 | Mouse | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 494 | 10 | 2 | 6 | 4.8 | O=C(O)c1csc(SCCN2C(=O)CC[C@@H]2/C=C/[C@@H](O)Cc2cccc(-c3ccccc3)c2)n1 | 10.1016/j.bmc.2012.04.008 | |||
| CHEMBL1957435 | 71306 | 0 | None | -3 | 4 | Mouse | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 494 | 10 | 2 | 6 | 4.8 | O=C(O)c1csc(SCCN2C(=O)CC[C@@H]2/C=C/[C@@H](O)Cc2cccc(-c3ccccc3)c2)n1 | 10.1016/j.bmc.2012.04.008 | |||
| 51039072 | 129206 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 417 | 6 | 4 | 5 | 4.3 | COc1ccc(-c2cc(-c3ccccc3)[nH]c2C(=O)Nc2ccc(C(=O)NO)o2)cc1 | nan | |||
| CHEMBL3670662 | 129206 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 417 | 6 | 4 | 5 | 4.3 | COc1ccc(-c2cc(-c3ccccc3)[nH]c2C(=O)Nc2ccc(C(=O)NO)o2)cc1 | nan | |||
| 9807448 | 203172 | 0 | None | 1 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 398 | 11 | 3 | 3 | 4.7 | CCC1([C@@H](O)C/C=C/[C@H]2[C@H](O)C[C@@H](Cl)[C@@H]2C/C=C\CCCC(=O)O)CCC1 | 10.1021/jm401431x | |||
| CHEMBL64246 | 203172 | 0 | None | 1 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 398 | 11 | 3 | 3 | 4.7 | CCC1([C@@H](O)C/C=C/[C@H]2[C@H](O)C[C@@H](Cl)[C@@H]2C/C=C\CCCC(=O)O)CCC1 | 10.1021/jm401431x | |||
| 10315 | 2926 | 28 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 478 | 10 | 2 | 8 | 2.6 | OC(=O)CNc1cccc(n1)CN(S(=O)(=O)c1cccnc1)Cc1ccc(cc1)n1cccn1 | 10.1016/j.ejmech.2021.113842 | |||
| 44230575 | 2926 | 28 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 478 | 10 | 2 | 8 | 2.6 | OC(=O)CNc1cccc(n1)CN(S(=O)(=O)c1cccnc1)Cc1ccc(cc1)n1cccn1 | 10.1016/j.ejmech.2021.113842 | |||
| CHEMBL3707245 | 2926 | 28 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 478 | 10 | 2 | 8 | 2.6 | OC(=O)CNc1cccc(n1)CN(S(=O)(=O)c1cccnc1)Cc1ccc(cc1)n1cccn1 | 10.1016/j.ejmech.2021.113842 | |||
| 67078580 | 129200 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 435 | 6 | 2 | 5 | 4.7 | COC(=O)c1ccc(CNC(=O)c2[nH]c(-c3cccs3)cc2-c2ccc(F)cc2)nc1 | nan | |||
| CHEMBL3670656 | 129200 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 435 | 6 | 2 | 5 | 4.7 | COC(=O)c1ccc(CNC(=O)c2[nH]c(-c3cccs3)cc2-c2ccc(F)cc2)nc1 | nan | |||
| 51039068 | 129202 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 436 | 6 | 4 | 5 | 4.0 | O=C(NO)c1ccc(CNC(=O)c2[nH]c(-c3cccs3)cc2-c2ccc(F)cc2)nc1 | nan | |||
| CHEMBL3670658 | 129202 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 436 | 6 | 4 | 5 | 4.0 | O=C(NO)c1ccc(CNC(=O)c2[nH]c(-c3cccs3)cc2-c2ccc(F)cc2)nc1 | nan | |||
| 44304164 | 203234 | 0 | None | - | 1 | Mouse | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 378 | 11 | 3 | 4 | 3.6 | CCC1([C@@H](O)C/C=C/[C@H]2[C@H](O)CC(=O)[C@@H]2C/C=C\CCCC(=O)O)CCC1 | 10.1016/s0960-894x(01)00359-6 | |||
| CHEMBL64483 | 203234 | 0 | None | - | 1 | Mouse | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 378 | 11 | 3 | 4 | 3.6 | CCC1([C@@H](O)C/C=C/[C@H]2[C@H](O)CC(=O)[C@@H]2C/C=C\CCCC(=O)O)CCC1 | 10.1016/s0960-894x(01)00359-6 | |||
| 15947857 | 155513 | 7 | None | -269 | 7 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 767 | 12 | 1 | 9 | 6.3 | COc1cccc(OC)c1C1(C(=O)NS(=O)(=O)Cc2ccc(N3Cc4c(c(OCC(F)(F)F)c5cccnc5c4OCC(F)(F)F)C3=O)c(C)c2)CC1 | 10.1016/j.bmcl.2008.01.103 | |||
| CHEMBL404199 | 155513 | 7 | None | -269 | 7 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 767 | 12 | 1 | 9 | 6.3 | COc1cccc(OC)c1C1(C(=O)NS(=O)(=O)Cc2ccc(N3Cc4c(c(OCC(F)(F)F)c5cccnc5c4OCC(F)(F)F)C3=O)c(C)c2)CC1 | 10.1016/j.bmcl.2008.01.103 | |||
| 44320294 | 106007 | 0 | None | -4 | 4 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 557 | 12 | 1 | 6 | 5.7 | O=S(=O)(CCc1ccccc1-c1ccc(CSCCc2ccccc2)cc1)NS(=O)(=O)c1cccs1 | 10.1016/s0960-894x(02)00518-8 | |||
| CHEMBL313266 | 106007 | 0 | None | -4 | 4 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 557 | 12 | 1 | 6 | 5.7 | O=S(=O)(CCc1ccccc1-c1ccc(CSCCc2ccccc2)cc1)NS(=O)(=O)c1cccs1 | 10.1016/s0960-894x(02)00518-8 | |||
| 230826 | 93431 | 32 | None | -19 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 268 | 4 | 1 | 2 | 3.9 | O=C(O)COc1ccc(Cl)cc1C1CCCCC1 | 10.1016/j.bmcl.2007.05.019 | |||
| CHEMBL245908 | 93431 | 32 | None | -19 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 268 | 4 | 1 | 2 | 3.9 | O=C(O)COc1ccc(Cl)cc1C1CCCCC1 | 10.1016/j.bmcl.2007.05.019 | |||
| 44269516 | 43633 | 30 | None | -87 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 341 | 14 | 2 | 3 | 3.7 | CCCCCC(O)CCC1CCC(=O)N1CCCCCCC(=O)O | 10.1016/s0960-894x(03)00042-8 | |||
| CHEMBL15096 | 43633 | 30 | None | -87 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 341 | 14 | 2 | 3 | 3.7 | CCCCCC(O)CCC1CCC(=O)N1CCCCCCC(=O)O | 10.1016/s0960-894x(03)00042-8 | |||
| 10413147 | 9080 | 0 | None | -13182 | 3 | Mouse | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 486 | 10 | 3 | 3 | 7.2 | Cc1cc(C)cc(Nc2ccc(CCC(=O)O)c(C(=O)N[C@H](CC(C)C)c3cc(C)cc(C)c3)c2)c1 | 10.1016/j.bmc.2010.03.028 | |||
| CHEMBL1099047 | 9080 | 0 | None | -13182 | 3 | Mouse | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 486 | 10 | 3 | 3 | 7.2 | Cc1cc(C)cc(Nc2ccc(CCC(=O)O)c(C(=O)N[C@H](CC(C)C)c3cc(C)cc(C)c3)c2)c1 | 10.1016/j.bmc.2010.03.028 | |||
| 44444720 | 94227 | 0 | None | -239 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 460 | 9 | 2 | 4 | 3.1 | O=C(O)c1ccc(CCN2C(=O)CCN2CC[C@@H](O)Cc2cccc(Br)c2)cc1 | 10.1016/j.bmcl.2007.09.074 | |||
| CHEMBL249953 | 94227 | 0 | None | -239 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 460 | 9 | 2 | 4 | 3.1 | O=C(O)c1ccc(CCN2C(=O)CCN2CC[C@@H](O)Cc2cccc(Br)c2)cc1 | 10.1016/j.bmcl.2007.09.074 | |||
| 11855870 | 146280 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 427 | 11 | 1 | 4 | 5.7 | CCCCCC(=O)c1ccc(N2C(=O)CC[C@@H]2CCCc2ccc(C(=O)O)s2)cc1 | nan | |||
| CHEMBL3920756 | 146280 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 427 | 11 | 1 | 4 | 5.7 | CCCCCC(=O)c1ccc(N2C(=O)CC[C@@H]2CCCc2ccc(C(=O)O)s2)cc1 | nan | |||
| 11855870 | 146280 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 427 | 11 | 1 | 4 | 5.7 | CCCCCC(=O)c1ccc(N2C(=O)CC[C@@H]2CCCc2ccc(C(=O)O)s2)cc1 | nan | |||
| CHEMBL3920756 | 146280 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 427 | 11 | 1 | 4 | 5.7 | CCCCCC(=O)c1ccc(N2C(=O)CC[C@@H]2CCCc2ccc(C(=O)O)s2)cc1 | nan | |||
| 11269563 | 141610 | 0 | None | -281 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 399 | 5 | 1 | 3 | 5.2 | CC(=O)c1cc(F)cc2c3c(n(Cc4ccc(Cl)cc4)c12)[C@@H](CC(=O)O)CC3 | 10.1021/jm0603668 | |||
| CHEMBL385126 | 141610 | 0 | None | -281 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 399 | 5 | 1 | 3 | 5.2 | CC(=O)c1cc(F)cc2c3c(n(Cc4ccc(Cl)cc4)c12)[C@@H](CC(=O)O)CC3 | 10.1021/jm0603668 | |||
| 10185382 | 64415 | 0 | None | -30 | 5 | Mouse | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 500 | 7 | 1 | 7 | 4.6 | COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c1ccc(OC[C@@H]2CN(C)c3ccccc3O2)cc1 | 10.1016/j.bmc.2011.06.014 | |||
| CHEMBL1813119 | 64415 | 0 | None | -30 | 5 | Mouse | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 500 | 7 | 1 | 7 | 4.6 | COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c1ccc(OC[C@@H]2CN(C)c3ccccc3O2)cc1 | 10.1016/j.bmc.2011.06.014 | |||
| 9867899 | 203124 | 0 | None | -97 | 3 | Mouse | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 440 | 13 | 3 | 5 | 3.6 | COCc1cccc(C[C@H](O)/C=C/[C@H]2[C@H](O)C[C@@H](F)[C@@H]2CCSCCCC(=O)O)c1 | 10.1016/s0960-894x(01)00365-1 | |||
| CHEMBL64072 | 203124 | 0 | None | -97 | 3 | Mouse | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 440 | 13 | 3 | 5 | 3.6 | COCc1cccc(C[C@H](O)/C=C/[C@H]2[C@H](O)C[C@@H](F)[C@@H]2CCSCCCC(=O)O)c1 | 10.1016/s0960-894x(01)00365-1 | |||
| 44303590 | 202911 | 0 | None | -363 | 3 | Mouse | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 468 | 14 | 3 | 7 | 2.6 | COCCc1cccc(C[C@H](O)/C=C/[C@H]2[C@H](O)CC(=O)[C@@H]2SCCCSCC(=O)O)c1 | 10.1016/s0960-894x(01)00364-x | |||
| CHEMBL62779 | 202911 | 0 | None | -363 | 3 | Mouse | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 468 | 14 | 3 | 7 | 2.6 | COCCc1cccc(C[C@H](O)/C=C/[C@H]2[C@H](O)CC(=O)[C@@H]2SCCCSCC(=O)O)c1 | 10.1016/s0960-894x(01)00364-x | |||
| 21362867 | 107102 | 0 | None | -128 | 4 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 417 | 7 | 1 | 5 | 4.6 | CSc1cccc(-c2ccccc2CCC(=O)NS(=O)(=O)c2cccs2)c1 | 10.1016/s0960-894x(02)00518-8 | |||
| CHEMBL315974 | 107102 | 0 | None | -128 | 4 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 417 | 7 | 1 | 5 | 4.6 | CSc1cccc(-c2ccccc2CCC(=O)NS(=O)(=O)c2cccs2)c1 | 10.1016/s0960-894x(02)00518-8 | |||
| 44269544 | 35252 | 0 | None | -7762 | 3 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 359 | 11 | 2 | 3 | 3.2 | O=C(O)CCCCCCN1C(=O)CC[C@@H]1/C=C/C(O)Cc1ccccc1 | 10.1016/j.bmcl.2004.01.063 | |||
| CHEMBL14359 | 35252 | 0 | None | -7762 | 3 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 359 | 11 | 2 | 3 | 3.2 | O=C(O)CCCCCCN1C(=O)CC[C@@H]1/C=C/C(O)Cc1ccccc1 | 10.1016/j.bmcl.2004.01.063 | |||
| 118517488 | 153711 | 0 | None | -56 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 414 | 8 | 2 | 3 | 4.4 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2cccc(F)c2F)cc1 | nan | |||
| CHEMBL3981554 | 153711 | 0 | None | -56 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 414 | 8 | 2 | 3 | 4.4 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2cccc(F)c2F)cc1 | nan | |||
| 118517361 | 153370 | 0 | None | -218 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 446 | 8 | 2 | 3 | 5.1 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2cccc(C(F)(F)F)c2)cc1 | nan | |||
| CHEMBL3978590 | 153370 | 0 | None | -218 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 446 | 8 | 2 | 3 | 5.1 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2cccc(C(F)(F)F)c2)cc1 | nan | |||
| 57393339 | 69472 | 0 | None | -57 | 2 | Mouse | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 432 | 9 | 2 | 6 | 3.4 | Cc1cccc(C[C@H](O)/C=C/[C@H]2CCC(=O)N2CCSc2ncc(C(=O)O)s2)c1 | 10.1016/j.bmcl.2011.10.109 | |||
| CHEMBL1933723 | 69472 | 0 | None | -57 | 2 | Mouse | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 432 | 9 | 2 | 6 | 3.4 | Cc1cccc(C[C@H](O)/C=C/[C@H]2CCC(=O)N2CCSc2ncc(C(=O)O)s2)c1 | 10.1016/j.bmcl.2011.10.109 | |||
| 57393339 | 69472 | 0 | None | -57 | 2 | Mouse | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 432 | 9 | 2 | 6 | 3.4 | Cc1cccc(C[C@H](O)/C=C/[C@H]2CCC(=O)N2CCSc2ncc(C(=O)O)s2)c1 | 10.1016/j.bmc.2012.02.018 | |||
| CHEMBL1933723 | 69472 | 0 | None | -57 | 2 | Mouse | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 432 | 9 | 2 | 6 | 3.4 | Cc1cccc(C[C@H](O)/C=C/[C@H]2CCC(=O)N2CCSc2ncc(C(=O)O)s2)c1 | 10.1016/j.bmc.2012.02.018 | |||
| 44290312 | 178920 | 0 | None | -87 | 2 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 421 | 11 | 2 | 3 | 5.0 | O=C(O)CCCCCCN1C(=O)CC[C@@H]1/C=C/C(O)c1cccc(-c2ccccc2)c1 | 10.1016/j.bmcl.2004.01.063 | |||
| CHEMBL47018 | 178920 | 0 | None | -87 | 2 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 421 | 11 | 2 | 3 | 5.0 | O=C(O)CCCCCCN1C(=O)CC[C@@H]1/C=C/C(O)c1cccc(-c2ccccc2)c1 | 10.1016/j.bmcl.2004.01.063 | |||
| 72950089 | 150591 | 0 | None | -1621 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 375 | 13 | 2 | 3 | 3.8 | CCCCC[C@H](O)/C=C/[C@H]1CC(F)(F)C(=O)N1CCCCCCC(=O)O | 10.1021/acs.jmedchem.9b00336 | |||
| CHEMBL3955128 | 150591 | 0 | None | -1621 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 375 | 13 | 2 | 3 | 3.8 | CCCCC[C@H](O)/C=C/[C@H]1CC(F)(F)C(=O)N1CCCCCCC(=O)O | 10.1021/acs.jmedchem.9b00336 | |||
| 21974331 | 126546 | 0 | None | -5 | 4 | Mouse | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 399 | 6 | 1 | 4 | 4.8 | Cc1cc2c(CC(=O)O)cccc2n1C(=O)c1ccc(OCc2ccccc2)cc1 | 10.1016/j.bmcl.2004.07.039 | |||
| CHEMBL365243 | 126546 | 0 | None | -5 | 4 | Mouse | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 399 | 6 | 1 | 4 | 4.8 | Cc1cc2c(CC(=O)O)cccc2n1C(=O)c1ccc(OCc2ccccc2)cc1 | 10.1016/j.bmcl.2004.07.039 | |||
| 10363130 | 101035 | 1 | None | 3 | 2 | Mouse | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 392 | 12 | 3 | 4 | 4.0 | CCCC1([C@@H](O)C/C=C/[C@H]2[C@H](O)CC(=O)[C@@H]2C/C=C\CCCC(=O)O)CCC1 | 10.1016/s0960-894x(01)00359-6 | |||
| CHEMBL294585 | 101035 | 1 | None | 3 | 2 | Mouse | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 392 | 12 | 3 | 4 | 4.0 | CCCC1([C@@H](O)C/C=C/[C@H]2[C@H](O)CC(=O)[C@@H]2C/C=C\CCCC(=O)O)CCC1 | 10.1016/s0960-894x(01)00359-6 | |||
| 10185612 | 64413 | 0 | None | -11 | 4 | Mouse | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 504 | 6 | 1 | 6 | 5.2 | Cc1c(CC(=O)O)c2cc(Cl)ccc2n1C(=O)c1ccc(OC[C@@H]2CN(C)c3ccccc3O2)cc1 | 10.1016/j.bmc.2011.06.014 | |||
| CHEMBL1813117 | 64413 | 0 | None | -11 | 4 | Mouse | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 504 | 6 | 1 | 6 | 5.2 | Cc1c(CC(=O)O)c2cc(Cl)ccc2n1C(=O)c1ccc(OC[C@@H]2CN(C)c3ccccc3O2)cc1 | 10.1016/j.bmc.2011.06.014 | |||
| 11338015 | 66118 | 0 | None | -1 | 2 | Mouse | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 381 | 7 | 2 | 5 | 4.2 | CCCCOc1ccc(C(=O)n2c(C)c(CC(=O)O)c3cc(O)ccc32)cc1 | 10.1016/j.bmcl.2004.06.006 | |||
| CHEMBL183983 | 66118 | 0 | None | -1 | 2 | Mouse | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 381 | 7 | 2 | 5 | 4.2 | CCCCOc1ccc(C(=O)n2c(C)c(CC(=O)O)c3cc(O)ccc32)cc1 | 10.1016/j.bmcl.2004.06.006 | |||
| 44303967 | 202958 | 0 | None | - | 1 | Mouse | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 420 | 12 | 3 | 4 | 4.8 | CCCC1([C@@H](O)C/C=C/[C@H]2[C@H](O)CC(=O)[C@@H]2C/C=C\CCCC(=O)O)CCCCC1 | 10.1016/s0960-894x(01)00359-6 | |||
| CHEMBL62987 | 202958 | 0 | None | - | 1 | Mouse | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 420 | 12 | 3 | 4 | 4.8 | CCCC1([C@@H](O)C/C=C/[C@H]2[C@H](O)CC(=O)[C@@H]2C/C=C\CCCC(=O)O)CCCCC1 | 10.1016/s0960-894x(01)00359-6 | |||
| 10294290 | 200053 | 0 | None | -275 | 4 | Mouse | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 398 | 8 | 1 | 4 | 4.8 | O=C(O)/C=C/c1ccc(Cn2cccn2)cc1OCCc1ccc2ccccc2c1 | 10.1016/j.bmc.2009.08.007 | |||
| CHEMBL595632 | 200053 | 0 | None | -275 | 4 | Mouse | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 398 | 8 | 1 | 4 | 4.8 | O=C(O)/C=C/c1ccc(Cn2cccn2)cc1OCCc1ccc2ccccc2c1 | 10.1016/j.bmc.2009.08.007 | |||
| 50898361 | 56873 | 0 | None | -2630 | 4 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 549 | 7 | 2 | 5 | 5.4 | Cc1ccc(S(=O)(=O)NC(=O)NCCc2ccc(-c3c(C(=O)N(C)C)sc4c(C)cc(C)cc34)cc2)cc1 | 10.1016/j.bmcl.2010.11.118 | |||
| CHEMBL1644003 | 56873 | 0 | None | -2630 | 4 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 549 | 7 | 2 | 5 | 5.4 | Cc1ccc(S(=O)(=O)NC(=O)NCCc2ccc(-c3c(C(=O)N(C)C)sc4c(C)cc(C)cc34)cc2)cc1 | 10.1016/j.bmcl.2010.11.118 | |||
| 44304474 | 202931 | 0 | None | -91 | 5 | Mouse | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 372 | 13 | 3 | 5 | 3.0 | CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCSCCC(=O)O | 10.1016/s0960-894x(01)00365-1 | |||
| CHEMBL62868 | 202931 | 0 | None | -91 | 5 | Mouse | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 372 | 13 | 3 | 5 | 3.0 | CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCSCCC(=O)O | 10.1016/s0960-894x(01)00365-1 | |||
| 10277744 | 64412 | 0 | None | -12 | 7 | Mouse | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 484 | 6 | 1 | 6 | 4.9 | Cc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c1ccc(OC[C@@H]2CN(C)c3ccccc3O2)cc1 | 10.1016/j.bmc.2011.06.014 | |||
| CHEMBL1813116 | 64412 | 0 | None | -12 | 7 | Mouse | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 484 | 6 | 1 | 6 | 4.9 | Cc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c1ccc(OC[C@@H]2CN(C)c3ccccc3O2)cc1 | 10.1016/j.bmc.2011.06.014 | |||
| 10291963 | 84708 | 0 | None | -199 | 6 | Mouse | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 359 | 10 | 2 | 3 | 3.4 | CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)N1CCc1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2011.10.109 | |||
| CHEMBL222715 | 84708 | 0 | None | -199 | 6 | Mouse | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 359 | 10 | 2 | 3 | 3.4 | CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)N1CCc1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2011.10.109 | |||
| 11476788 | 161274 | 0 | None | -23 | 6 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 463 | 5 | 1 | 5 | 4.4 | CS(=O)(=O)c1cc(F)cc2c1c(C(=O)c1ccc(Cl)cc1)c1n2CCC[C@@H]1CC(=O)O | 10.1016/j.bmcl.2008.03.015 | |||
| CHEMBL412070 | 161274 | 0 | None | -23 | 6 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 463 | 5 | 1 | 5 | 4.4 | CS(=O)(=O)c1cc(F)cc2c1c(C(=O)c1ccc(Cl)cc1)c1n2CCC[C@@H]1CC(=O)O | 10.1016/j.bmcl.2008.03.015 | |||
| 92135977 | 152896 | 0 | None | -275 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 396 | 8 | 2 | 3 | 4.2 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2cccc(F)c2)cc1 | nan | |||
| CHEMBL3974652 | 152896 | 0 | None | -275 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 396 | 8 | 2 | 3 | 4.2 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2cccc(F)c2)cc1 | nan | |||
| 11405770 | 137908 | 0 | None | -2 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 361 | 11 | 2 | 3 | 3.6 | CCCCC[C@H](O)CC[C@H]1CCC(=O)N1CCc1ccc(C(=O)O)cc1 | 10.1021/jm049290a | |||
| CHEMBL376347 | 137908 | 0 | None | -2 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 361 | 11 | 2 | 3 | 3.6 | CCCCC[C@H](O)CC[C@H]1CCC(=O)N1CCc1ccc(C(=O)O)cc1 | 10.1021/jm049290a | |||
| 21362910 | 16925 | 0 | None | -5 | 4 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 422 | 9 | 1 | 2 | 7.0 | O=C(O)CCCc1ccccc1-c1cccc(-c2ccccc2OCc2ccccc2)c1 | 10.1016/s0960-894x(03)00794-7 | |||
| CHEMBL125269 | 16925 | 0 | None | -5 | 4 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 422 | 9 | 1 | 2 | 7.0 | O=C(O)CCCc1ccccc1-c1cccc(-c2ccccc2OCc2ccccc2)c1 | 10.1016/s0960-894x(03)00794-7 | |||
| 57893867 | 75157 | 0 | None | -12302 | 2 | Mouse | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 492 | 12 | 3 | 4 | 4.9 | O=C(O)CCCSCCN1C(=O)CC[C@@H]1/C=C/[C@@H](O)Cc1cccc(-c2ccc3[nH]ccc3c2)c1 | 10.1016/j.bmc.2012.04.008 | |||
| CHEMBL2036311 | 75157 | 0 | None | -12302 | 2 | Mouse | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 492 | 12 | 3 | 4 | 4.9 | O=C(O)CCCSCCN1C(=O)CC[C@@H]1/C=C/[C@@H](O)Cc1cccc(-c2ccc3[nH]ccc3c2)c1 | 10.1016/j.bmc.2012.04.008 | |||
| 56658144 | 64806 | 0 | None | 1 | 2 | Mouse | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 432 | 7 | 2 | 5 | 3.8 | CN1C[C@@H](COc2ccc(NC(=O)c3cccc(CC(=O)O)c3)cc2)Oc2ccccc21 | 10.1016/j.bmc.2011.08.007 | |||
| CHEMBL1819605 | 64806 | 0 | None | 1 | 2 | Mouse | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 432 | 7 | 2 | 5 | 3.8 | CN1C[C@@H](COc2ccc(NC(=O)c3cccc(CC(=O)O)c3)cc2)Oc2ccccc21 | 10.1016/j.bmc.2011.08.007 | |||
| 44349531 | 16565 | 0 | None | -3 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 394 | 7 | 1 | 2 | 6.2 | O=C(O)Cc1ccccc1-c1cccc(-c2ccccc2OCc2ccccc2)c1 | 10.1016/s0960-894x(03)00794-7 | |||
| CHEMBL123844 | 16565 | 0 | None | -3 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 394 | 7 | 1 | 2 | 6.2 | O=C(O)Cc1ccccc1-c1cccc(-c2ccccc2OCc2ccccc2)c1 | 10.1016/s0960-894x(03)00794-7 | |||
| 21362849 | 168328 | 0 | None | -4 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 422 | 8 | 1 | 2 | 6.9 | CC(Cc1ccccc1-c1cccc(-c2ccccc2OCc2ccccc2)c1)C(=O)O | 10.1016/s0960-894x(03)00794-7 | |||
| CHEMBL434247 | 168328 | 0 | None | -4 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 422 | 8 | 1 | 2 | 6.9 | CC(Cc1ccccc1-c1cccc(-c2ccccc2OCc2ccccc2)c1)C(=O)O | 10.1016/s0960-894x(03)00794-7 | |||
| 44269464 | 34477 | 0 | None | -3 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 341 | 14 | 2 | 3 | 3.7 | CCCCCC(O)CC[C@@H]1CCC(=O)N1CCCCCCC(=O)O | 10.1016/s0960-894x(03)00042-8 | |||
| CHEMBL14286 | 34477 | 0 | None | -3 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 341 | 14 | 2 | 3 | 3.7 | CCCCCC(O)CC[C@@H]1CCC(=O)N1CCCCCCC(=O)O | 10.1016/s0960-894x(03)00042-8 | |||
| 118517489 | 143691 | 0 | None | -44 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 414 | 8 | 2 | 3 | 4.4 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2cc(F)ccc2F)cc1 | nan | |||
| CHEMBL3900245 | 143691 | 0 | None | -44 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 414 | 8 | 2 | 3 | 4.4 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2cc(F)ccc2F)cc1 | nan | |||
| 44304417 | 202110 | 0 | None | -138 | 4 | Mouse | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 438 | 13 | 3 | 4 | 4.3 | COCc1cccc(C[C@H](O)/C=C/[C@H]2[C@H](O)C[C@@H](Cl)[C@@H]2CCCCCCC(=O)O)c1 | 10.1016/s0960-894x(01)00365-1 | |||
| CHEMBL60894 | 202110 | 0 | None | -138 | 4 | Mouse | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 438 | 13 | 3 | 4 | 4.3 | COCc1cccc(C[C@H](O)/C=C/[C@H]2[C@H](O)C[C@@H](Cl)[C@@H]2CCCCCCC(=O)O)c1 | 10.1016/s0960-894x(01)00365-1 | |||
| 44303723 | 202935 | 0 | None | - | 1 | Mouse | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 406 | 12 | 3 | 4 | 4.4 | CCCC1([C@@H](O)C/C=C/[C@H]2[C@H](O)CC(=O)[C@@H]2C/C=C\CCCC(=O)O)CCCC1 | 10.1016/s0960-894x(01)00359-6 | |||
| CHEMBL62885 | 202935 | 0 | None | - | 1 | Mouse | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 406 | 12 | 3 | 4 | 4.4 | CCCC1([C@@H](O)C/C=C/[C@H]2[C@H](O)CC(=O)[C@@H]2C/C=C\CCCC(=O)O)CCCC1 | 10.1016/s0960-894x(01)00359-6 | |||
| 53358922 | 64430 | 0 | None | -70 | 6 | Mouse | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 522 | 6 | 1 | 6 | 5.3 | Cc1c(CC(=O)O)c2cc(F)ccc2n1C(=O)c1ccc(OC[C@@H]2CN(C)c3ccccc3O2)cc1Cl | 10.1016/j.bmc.2011.06.014 | |||
| CHEMBL1813276 | 64430 | 0 | None | -70 | 6 | Mouse | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 522 | 6 | 1 | 6 | 5.3 | Cc1c(CC(=O)O)c2cc(F)ccc2n1C(=O)c1ccc(OC[C@@H]2CN(C)c3ccccc3O2)cc1Cl | 10.1016/j.bmc.2011.06.014 | |||
| 21362851 | 116904 | 0 | None | -67 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 408 | 8 | 1 | 2 | 6.6 | O=C(O)CCc1ccccc1-c1cccc(-c2ccccc2OCc2ccccc2)c1 | 10.1016/s0960-894x(03)00794-7 | |||
| CHEMBL338388 | 116904 | 0 | None | -67 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 408 | 8 | 1 | 2 | 6.6 | O=C(O)CCc1ccccc1-c1cccc(-c2ccccc2OCc2ccccc2)c1 | 10.1016/s0960-894x(03)00794-7 | |||
| 10109445 | 85143 | 0 | None | -537 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 365 | 10 | 2 | 4 | 3.5 | CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)N1CCc1ccc(C(=O)O)s1 | 10.1021/jm049290a | |||
| CHEMBL224970 | 85143 | 0 | None | -537 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 365 | 10 | 2 | 4 | 3.5 | CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)N1CCc1ccc(C(=O)O)s1 | 10.1021/jm049290a | |||
| 1883 | 3082 | 75 | None | -6 | 24 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1021/jm401431x | |||
| 1916 | 3082 | 75 | None | -6 | 24 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1021/jm401431x | |||
| 5280360 | 3082 | 75 | None | -6 | 24 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1021/jm401431x | |||
| 913 | 3082 | 75 | None | -6 | 24 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1021/jm401431x | |||
| CHEMBL548 | 3082 | 75 | None | -6 | 24 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1021/jm401431x | |||
| DB00917 | 3082 | 75 | None | -6 | 24 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1021/jm401431x | |||
| 5283086 | 203310 | 24 | None | -269 | 5 | Mouse | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O | 10.1016/s0960-894x(01)00359-6 | |||
| CHEMBL64804 | 203310 | 24 | None | -269 | 5 | Mouse | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O | 10.1016/s0960-894x(01)00359-6 | |||
| 10271490 | 165893 | 0 | None | -29 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 386 | 9 | 1 | 2 | 5.8 | Cc1cccc(CCCc2ccccc2/C=C/C(=O)O)c1OCc1ccccc1 | 10.1016/j.bmcl.2004.11.051 | |||
| CHEMBL424975 | 165893 | 0 | None | -29 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 386 | 9 | 1 | 2 | 5.8 | Cc1cccc(CCCc2ccccc2/C=C/C(=O)O)c1OCc1ccccc1 | 10.1016/j.bmcl.2004.11.051 | |||
| 44320433 | 167943 | 0 | None | -45 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 521 | 11 | 1 | 5 | 6.3 | O=C(CCc1ccccc1-c1ccccc1CSCCc1ccccc1)NS(=O)(=O)c1cccs1 | 10.1016/s0960-894x(02)00518-8 | |||
| CHEMBL431612 | 167943 | 0 | None | -45 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 521 | 11 | 1 | 5 | 6.3 | O=C(CCc1ccccc1-c1ccccc1CSCCc1ccccc1)NS(=O)(=O)c1cccs1 | 10.1016/s0960-894x(02)00518-8 | |||
| 24953283 | 199448 | 0 | None | -426 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 467 | 6 | 2 | 3 | 6.5 | C[C@@H](NC(=O)c1c(Cl)sc(Cl)c1Cc1cccc(Cl)c1)c1ccc(C(=O)O)cc1 | 10.1021/jm901771h | |||
| CHEMBL591431 | 199448 | 0 | None | -426 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 467 | 6 | 2 | 3 | 6.5 | C[C@@H](NC(=O)c1c(Cl)sc(Cl)c1Cc1cccc(Cl)c1)c1ccc(C(=O)O)cc1 | 10.1021/jm901771h | |||
| 11855594 | 152980 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 417 | 10 | 2 | 5 | 4.4 | CCCCC(O)c1ccc(N2C(=O)CC[C@@H]2COCc2ccc(C(=O)O)s2)cc1 | nan | |||
| CHEMBL3975238 | 152980 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 417 | 10 | 2 | 5 | 4.4 | CCCCC(O)c1ccc(N2C(=O)CC[C@@H]2COCc2ccc(C(=O)O)s2)cc1 | nan | |||
| 11855594 | 152980 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 417 | 10 | 2 | 5 | 4.4 | CCCCC(O)c1ccc(N2C(=O)CC[C@@H]2COCc2ccc(C(=O)O)s2)cc1 | nan | |||
| CHEMBL3975238 | 152980 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 417 | 10 | 2 | 5 | 4.4 | CCCCC(O)c1ccc(N2C(=O)CC[C@@H]2COCc2ccc(C(=O)O)s2)cc1 | nan | |||
| 11294166 | 77045 | 0 | None | -213 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 461 | 6 | 2 | 5 | 4.3 | CC(O)c1cc(S(C)(=O)=O)cc2c3c(n(Cc4ccc(Cl)cc4)c12)[C@@H](CC(=O)O)CC3 | 10.1016/j.bmcl.2006.02.062 | |||
| CHEMBL207203 | 77045 | 0 | None | -213 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 461 | 6 | 2 | 5 | 4.3 | CC(O)c1cc(S(C)(=O)=O)cc2c3c(n(Cc4ccc(Cl)cc4)c12)[C@@H](CC(=O)O)CC3 | 10.1016/j.bmcl.2006.02.062 | |||
| 11294166 | 77045 | 0 | None | -213 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 461 | 6 | 2 | 5 | 4.3 | CC(O)c1cc(S(C)(=O)=O)cc2c3c(n(Cc4ccc(Cl)cc4)c12)[C@@H](CC(=O)O)CC3 | 10.1021/jm0603668 | |||
| CHEMBL207203 | 77045 | 0 | None | -213 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 461 | 6 | 2 | 5 | 4.3 | CC(O)c1cc(S(C)(=O)=O)cc2c3c(n(Cc4ccc(Cl)cc4)c12)[C@@H](CC(=O)O)CC3 | 10.1021/jm0603668 | |||
| 22009003 | 122616 | 0 | None | -436 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 468 | 8 | 2 | 3 | 6.7 | Cc1cccc(C(O)/C=C/c2ccccc2/C=C/C(=O)O)c1OCc1c(Cl)cccc1Cl | 10.1016/j.bmcl.2004.11.051 | |||
| CHEMBL360290 | 122616 | 0 | None | -436 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 468 | 8 | 2 | 3 | 6.7 | Cc1cccc(C(O)/C=C/c2ccccc2/C=C/C(=O)O)c1OCc1c(Cl)cccc1Cl | 10.1016/j.bmcl.2004.11.051 | |||
| 44304008 | 203242 | 0 | None | -549 | 4 | Mouse | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 410 | 11 | 3 | 6 | 2.4 | O=C(O)CSCCCS[C@H]1C(=O)C[C@@H](O)[C@@H]1/C=C/[C@@H](O)Cc1ccccc1 | 10.1016/s0960-894x(01)00364-x | |||
| CHEMBL64542 | 203242 | 0 | None | -549 | 4 | Mouse | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 410 | 11 | 3 | 6 | 2.4 | O=C(O)CSCCCS[C@H]1C(=O)C[C@@H](O)[C@@H]1/C=C/[C@@H](O)Cc1ccccc1 | 10.1016/s0960-894x(01)00364-x | |||
| 44138108 | 184285 | 0 | None | -12302 | 6 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 434 | 5 | 1 | 4 | 6.6 | CC(C)c1nccc2c1c(Sc1ccc(Cl)c(Cl)c1)c1n2CC[C@@H]1CC(=O)O | 10.1016/j.bmcl.2009.03.010 | |||
| CHEMBL483991 | 184285 | 0 | None | -12302 | 6 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 434 | 5 | 1 | 4 | 6.6 | CC(C)c1nccc2c1c(Sc1ccc(Cl)c(Cl)c1)c1n2CC[C@@H]1CC(=O)O | 10.1016/j.bmcl.2009.03.010 | |||
| 51039064 | 129201 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 417 | 6 | 5 | 5 | 3.7 | O=C(NO)c1ccc(CNC(=O)c2[nH]c(-c3ccoc3)cc2-c2ccc(O)cc2)cc1 | nan | |||
| CHEMBL3670657 | 129201 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 417 | 6 | 5 | 5 | 3.7 | O=C(NO)c1ccc(CNC(=O)c2[nH]c(-c3ccoc3)cc2-c2ccc(O)cc2)cc1 | nan | |||
| 1883 | 3082 | 75 | None | -6 | 24 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.bmcl.2007.09.074 | |||
| 1916 | 3082 | 75 | None | -6 | 24 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.bmcl.2007.09.074 | |||
| 5280360 | 3082 | 75 | None | -6 | 24 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.bmcl.2007.09.074 | |||
| 913 | 3082 | 75 | None | -6 | 24 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.bmcl.2007.09.074 | |||
| CHEMBL548 | 3082 | 75 | None | -6 | 24 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.bmcl.2007.09.074 | |||
| DB00917 | 3082 | 75 | None | -6 | 24 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.bmcl.2007.09.074 | |||
| 1883 | 3082 | 75 | None | -6 | 24 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.bmcl.2007.11.020 | |||
| 1916 | 3082 | 75 | None | -6 | 24 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.bmcl.2007.11.020 | |||
| 5280360 | 3082 | 75 | None | -6 | 24 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.bmcl.2007.11.020 | |||
| 913 | 3082 | 75 | None | -6 | 24 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.bmcl.2007.11.020 | |||
| CHEMBL548 | 3082 | 75 | None | -6 | 24 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.bmcl.2007.11.020 | |||
| DB00917 | 3082 | 75 | None | -6 | 24 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.bmcl.2007.11.020 | |||
| 1883 | 3082 | 75 | None | -6 | 24 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.bmcl.2007.05.025 | |||
| 1916 | 3082 | 75 | None | -6 | 24 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.bmcl.2007.05.025 | |||
| 5280360 | 3082 | 75 | None | -6 | 24 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.bmcl.2007.05.025 | |||
| 913 | 3082 | 75 | None | -6 | 24 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.bmcl.2007.05.025 | |||
| CHEMBL548 | 3082 | 75 | None | -6 | 24 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.bmcl.2007.05.025 | |||
| DB00917 | 3082 | 75 | None | -6 | 24 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.bmcl.2007.05.025 | |||
| 44304124 | 102623 | 0 | None | - | 1 | Mouse | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 406 | 12 | 3 | 4 | 4.3 | CC(C)CC1([C@@H](O)C/C=C/[C@H]2[C@H](O)CC(=O)[C@@H]2C/C=C\CCCC(=O)O)CCC1 | 10.1016/s0960-894x(01)00359-6 | |||
| CHEMBL304225 | 102623 | 0 | None | - | 1 | Mouse | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 406 | 12 | 3 | 4 | 4.3 | CC(C)CC1([C@@H](O)C/C=C/[C@H]2[C@H](O)CC(=O)[C@@H]2C/C=C\CCCC(=O)O)CCC1 | 10.1016/s0960-894x(01)00359-6 | |||
| 11855324 | 142605 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 371 | 6 | 1 | 4 | 4.0 | CC(C)(C)c1ccc(N2C(=O)CC[C@@H]2COCc2ccc(C(=O)O)o2)cc1 | nan | |||
| CHEMBL3891401 | 142605 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 371 | 6 | 1 | 4 | 4.0 | CC(C)(C)c1ccc(N2C(=O)CC[C@@H]2COCc2ccc(C(=O)O)o2)cc1 | nan | |||
| 11855324 | 142605 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 371 | 6 | 1 | 4 | 4.0 | CC(C)(C)c1ccc(N2C(=O)CC[C@@H]2COCc2ccc(C(=O)O)o2)cc1 | nan | |||
| CHEMBL3891401 | 142605 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 371 | 6 | 1 | 4 | 4.0 | CC(C)(C)c1ccc(N2C(=O)CC[C@@H]2COCc2ccc(C(=O)O)o2)cc1 | nan | |||
| 44269486 | 166842 | 0 | None | -144 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 341 | 14 | 2 | 3 | 3.7 | CCCCCC(O)CC[C@H]1CCC(=O)N1CCCCCCC(=O)O | 10.1016/s0960-894x(03)00042-8 | |||
| CHEMBL428524 | 166842 | 0 | None | -144 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 341 | 14 | 2 | 3 | 3.7 | CCCCCC(O)CC[C@H]1CCC(=O)N1CCCCCCC(=O)O | 10.1016/s0960-894x(03)00042-8 | |||
| 138 | 3081 | 88 | None | -19 | 18 | Mouse | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | 10.1016/s0960-894x(01)00365-1 | |||
| 1882 | 3081 | 88 | None | -19 | 18 | Mouse | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | 10.1016/s0960-894x(01)00365-1 | |||
| 5280723 | 3081 | 88 | None | -19 | 18 | Mouse | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | 10.1016/s0960-894x(01)00365-1 | |||
| CHEMBL495 | 3081 | 88 | None | -19 | 18 | Mouse | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | 10.1016/s0960-894x(01)00365-1 | |||
| DB00770 | 3081 | 88 | None | -19 | 18 | Mouse | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | 10.1016/s0960-894x(01)00365-1 | |||
| 138 | 3081 | 88 | None | -19 | 18 | Mouse | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | 10.1016/s0960-894x(01)00364-x | |||
| 1882 | 3081 | 88 | None | -19 | 18 | Mouse | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | 10.1016/s0960-894x(01)00364-x | |||
| 5280723 | 3081 | 88 | None | -19 | 18 | Mouse | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | 10.1016/s0960-894x(01)00364-x | |||
| CHEMBL495 | 3081 | 88 | None | -19 | 18 | Mouse | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | 10.1016/s0960-894x(01)00364-x | |||
| DB00770 | 3081 | 88 | None | -19 | 18 | Mouse | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | 10.1016/s0960-894x(01)00364-x | |||
| 10183680 | 127166 | 0 | None | -2 | 3 | Mouse | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 470 | 6 | 1 | 6 | 4.5 | Cc1cc2c(CC(=O)O)cccc2n1C(=O)c1ccc(OC[C@H]2CN(C)c3ccccc3O2)cc1 | 10.1016/j.bmcl.2004.07.039 | |||
| CHEMBL365696 | 127166 | 0 | None | -2 | 3 | Mouse | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 470 | 6 | 1 | 6 | 4.5 | Cc1cc2c(CC(=O)O)cccc2n1C(=O)c1ccc(OC[C@H]2CN(C)c3ccccc3O2)cc1 | 10.1016/j.bmcl.2004.07.039 | |||
| 11597294 | 166176 | 4 | None | -489 | 8 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 435 | 4 | 1 | 2 | 5.7 | O=C(O)C[C@H]1CCc2c1n(Cc1ccc(Cl)cc1)c1c(Br)cc(F)cc21 | 10.1021/jm0603668 | |||
| CHEMBL426387 | 166176 | 4 | None | -489 | 8 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 435 | 4 | 1 | 2 | 5.7 | O=C(O)C[C@H]1CCc2c1n(Cc1ccc(Cl)cc1)c1c(Br)cc(F)cc21 | 10.1021/jm0603668 | |||
| 57391585 | 69467 | 0 | None | -457 | 2 | Mouse | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 393 | 8 | 2 | 3 | 3.4 | Cc1cccc(C[C@H](O)/C=C/[C@H]2CCC(=O)N2CCc2ccc(C(=O)O)cc2)c1 | 10.1016/j.bmcl.2011.10.109 | |||
| CHEMBL1933718 | 69467 | 0 | None | -457 | 2 | Mouse | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 393 | 8 | 2 | 3 | 3.4 | Cc1cccc(C[C@H](O)/C=C/[C@H]2CCC(=O)N2CCc2ccc(C(=O)O)cc2)c1 | 10.1016/j.bmcl.2011.10.109 | |||
| 57391585 | 69467 | 0 | None | -457 | 2 | Mouse | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 393 | 8 | 2 | 3 | 3.4 | Cc1cccc(C[C@H](O)/C=C/[C@H]2CCC(=O)N2CCc2ccc(C(=O)O)cc2)c1 | 10.1016/j.bmc.2012.02.018 | |||
| CHEMBL1933718 | 69467 | 0 | None | -457 | 2 | Mouse | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 393 | 8 | 2 | 3 | 3.4 | Cc1cccc(C[C@H](O)/C=C/[C@H]2CCC(=O)N2CCc2ccc(C(=O)O)cc2)c1 | 10.1016/j.bmc.2012.02.018 | |||
| 10112486 | 16901 | 0 | None | -7 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 414 | 8 | 1 | 3 | 6.7 | O=C(O)CCc1ccccc1-c1ccc(-c2ccccc2OCc2ccccc2)s1 | 10.1016/s0960-894x(03)00794-7 | |||
| CHEMBL125110 | 16901 | 0 | None | -7 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 414 | 8 | 1 | 3 | 6.7 | O=C(O)CCc1ccccc1-c1ccc(-c2ccccc2OCc2ccccc2)s1 | 10.1016/s0960-894x(03)00794-7 | |||
| 44390831 | 63637 | 0 | None | -575 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 402 | 8 | 1 | 2 | 6.1 | Cc1cccc(/C=C/Cc2ccccc2/C=C/C(=O)O)c1OCc1ccc(F)cc1 | 10.1016/j.bmcl.2004.11.051 | |||
| CHEMBL180089 | 63637 | 0 | None | -575 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 402 | 8 | 1 | 2 | 6.1 | Cc1cccc(/C=C/Cc2ccccc2/C=C/C(=O)O)c1OCc1ccc(F)cc1 | 10.1016/j.bmcl.2004.11.051 | |||
| 44289969 | 101378 | 0 | None | -17 | 2 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 345 | 10 | 2 | 3 | 3.3 | O=C(O)CCCCCCN1C(=O)CC[C@@H]1/C=C/C(O)c1ccccc1 | 10.1016/j.bmcl.2004.01.063 | |||
| CHEMBL297139 | 101378 | 0 | None | -17 | 2 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 345 | 10 | 2 | 3 | 3.3 | O=C(O)CCCCCCN1C(=O)CC[C@@H]1/C=C/C(O)c1ccccc1 | 10.1016/j.bmcl.2004.01.063 | |||
| 57398586 | 69476 | 0 | None | -53 | 3 | Mouse | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 422 | 9 | 2 | 7 | 3.0 | Cc1ccc(C[C@H](O)/C=C/[C@H]2CCC(=O)N2CCSc2nc(C(=O)O)cs2)o1 | 10.1016/j.bmcl.2011.10.109 | |||
| CHEMBL1933727 | 69476 | 0 | None | -53 | 3 | Mouse | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 422 | 9 | 2 | 7 | 3.0 | Cc1ccc(C[C@H](O)/C=C/[C@H]2CCC(=O)N2CCSc2nc(C(=O)O)cs2)o1 | 10.1016/j.bmcl.2011.10.109 | |||
| 44290262 | 178519 | 0 | None | -10 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 455 | 11 | 2 | 3 | 5.6 | O=C(O)CCCCCCN1C(=O)CC[C@@H]1/C=C/C(O)c1cccc(-c2ccc(Cl)cc2)c1 | 10.1016/j.bmcl.2004.01.063 | |||
| CHEMBL46671 | 178519 | 0 | None | -10 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 455 | 11 | 2 | 3 | 5.6 | O=C(O)CCCCCCN1C(=O)CC[C@@H]1/C=C/C(O)c1cccc(-c2ccc(Cl)cc2)c1 | 10.1016/j.bmcl.2004.01.063 | |||
| 44290272 | 101443 | 0 | None | -6760 | 2 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 455 | 11 | 2 | 3 | 5.6 | O=C(O)CCCCCCN1C(=O)CC[C@@H]1/C=C/C(O)c1cccc(-c2ccccc2Cl)c1 | 10.1016/j.bmcl.2004.01.063 | |||
| CHEMBL297578 | 101443 | 0 | None | -6760 | 2 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 455 | 11 | 2 | 3 | 5.6 | O=C(O)CCCCCCN1C(=O)CC[C@@H]1/C=C/C(O)c1cccc(-c2ccccc2Cl)c1 | 10.1016/j.bmcl.2004.01.063 | |||
| 44442327 | 94459 | 0 | None | -147 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 345 | 9 | 2 | 3 | 3.0 | CCCC[C@H](O)/C=C/[C@H]1CCC(=O)N1CCc1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2007.11.020 | |||
| CHEMBL251294 | 94459 | 0 | None | -147 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 345 | 9 | 2 | 3 | 3.0 | CCCC[C@H](O)/C=C/[C@H]1CCC(=O)N1CCc1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2007.11.020 | |||
| 71462285 | 81880 | 0 | None | -239 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 478 | 10 | 1 | 5 | 6.0 | COc1cc(C/C=C/c2ccccc2/C=C/C(=O)O)ccc1OCCn1cc2ccccc2c1C#N | 10.1021/ml300191g | |||
| CHEMBL2164608 | 81880 | 0 | None | -239 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 478 | 10 | 1 | 5 | 6.0 | COc1cc(C/C=C/c2ccccc2/C=C/C(=O)O)ccc1OCCn1cc2ccccc2c1C#N | 10.1021/ml300191g | |||
| 44303711 | 102352 | 0 | None | 18 | 3 | Mouse | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 406 | 13 | 3 | 4 | 4.4 | CCCCC1([C@@H](O)C/C=C/[C@H]2[C@H](O)CC(=O)[C@@H]2C/C=C\CCCC(=O)O)CCC1 | 10.1016/s0960-894x(01)00359-6 | |||
| CHEMBL303763 | 102352 | 0 | None | 18 | 3 | Mouse | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 406 | 13 | 3 | 4 | 4.4 | CCCCC1([C@@H](O)C/C=C/[C@H]2[C@H](O)CC(=O)[C@@H]2C/C=C\CCCC(=O)O)CCC1 | 10.1016/s0960-894x(01)00359-6 | |||
| 24953285 | 200869 | 0 | None | -53 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 453 | 6 | 2 | 3 | 5.9 | O=C(O)c1ccc(CNC(=O)c2c(Cl)sc(Cl)c2Cc2cccc(Cl)c2)cc1 | 10.1021/jm901771h | |||
| CHEMBL601299 | 200869 | 0 | None | -53 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 453 | 6 | 2 | 3 | 5.9 | O=C(O)c1ccc(CNC(=O)c2c(Cl)sc(Cl)c2Cc2cccc(Cl)c2)cc1 | 10.1021/jm901771h | |||
| 155520370 | 170476 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 478 | 7 | 1 | 5 | 5.2 | CC(C)(C)c1ccc(CN(Cc2ccc3cc(C(=O)O)oc3c2)S(=O)(=O)c2cccnc2)cc1 | 10.1021/acs.jmedchem.8b00808 | |||
| CHEMBL4448995 | 170476 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 478 | 7 | 1 | 5 | 5.2 | CC(C)(C)c1ccc(CN(Cc2ccc3cc(C(=O)O)oc3c2)S(=O)(=O)c2cccnc2)cc1 | 10.1021/acs.jmedchem.8b00808 | |||
| 56665068 | 64824 | 0 | None | -3 | 4 | Mouse | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 500 | 7 | 2 | 5 | 5.1 | CN1C[C@@H](COc2ccc(C(=O)Nc3cc(CC(=O)O)ccc3Cl)c(Cl)c2)Oc2ccccc21 | 10.1016/j.bmc.2011.08.007 | |||
| CHEMBL1819622 | 64824 | 0 | None | -3 | 4 | Mouse | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 500 | 7 | 2 | 5 | 5.1 | CN1C[C@@H](COc2ccc(C(=O)Nc3cc(CC(=O)O)ccc3Cl)c(Cl)c2)Oc2ccccc21 | 10.1016/j.bmc.2011.08.007 | |||
| 10269242 | 155575 | 0 | None | -2 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 348 | 9 | 2 | 4 | 2.2 | CC(C)CC(O)CCN1CCC(=O)N1CCc1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2007.09.074 | |||
| CHEMBL404413 | 155575 | 0 | None | -2 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 348 | 9 | 2 | 4 | 2.2 | CC(C)CC(O)CCN1CCC(=O)N1CCc1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2007.09.074 | |||
| 21974528 | 124450 | 0 | None | -22 | 5 | Mouse | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 441 | 6 | 1 | 5 | 4.6 | Cc1cc2c(CC(=O)O)cccc2n1C(=O)c1ccc(OCC2Cc3ccccc3O2)cc1 | 10.1016/j.bmcl.2004.07.039 | |||
| CHEMBL363984 | 124450 | 0 | None | -22 | 5 | Mouse | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 441 | 6 | 1 | 5 | 4.6 | Cc1cc2c(CC(=O)O)cccc2n1C(=O)c1ccc(OCC2Cc3ccccc3O2)cc1 | 10.1016/j.bmcl.2004.07.039 | |||
| 44289922 | 163524 | 0 | None | -954 | 5 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 339 | 13 | 2 | 3 | 3.5 | CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)N1CCCCCCC(=O)O | 10.1016/j.bmcl.2004.01.063 | |||
| CHEMBL42027 | 163524 | 0 | None | -954 | 5 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 339 | 13 | 2 | 3 | 3.5 | CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)N1CCCCCCC(=O)O | 10.1016/j.bmcl.2004.01.063 | |||
| 10227492 | 16898 | 0 | None | -218 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 476 | 8 | 1 | 2 | 7.9 | O=C(O)CCc1ccccc1-c1cccc(-c2ccccc2OCc2c(Cl)cccc2Cl)c1 | 10.1016/s0960-894x(03)00794-7 | |||
| CHEMBL125087 | 16898 | 0 | None | -218 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 476 | 8 | 1 | 2 | 7.9 | O=C(O)CCc1ccccc1-c1cccc(-c2ccccc2OCc2c(Cl)cccc2Cl)c1 | 10.1016/s0960-894x(03)00794-7 | |||
| 44349528 | 113801 | 0 | None | -131 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 428 | 8 | 1 | 3 | 7.2 | CC(CC(=O)O)c1ccccc1-c1csc(-c2ccccc2OCc2ccccc2)c1 | 10.1016/s0960-894x(03)00794-7 | |||
| CHEMBL332446 | 113801 | 0 | None | -131 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 428 | 8 | 1 | 3 | 7.2 | CC(CC(=O)O)c1ccccc1-c1csc(-c2ccccc2OCc2ccccc2)c1 | 10.1016/s0960-894x(03)00794-7 | |||
| 59465601 | 149894 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 402 | 13 | 1 | 4 | 5.4 | CCCCC(O)Cc1ccc([C@H]2CCC(=O)[C@@H]2CCCCCCC(=O)OC)cc1 | nan | |||
| CHEMBL3949271 | 149894 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 402 | 13 | 1 | 4 | 5.4 | CCCCC(O)Cc1ccc([C@H]2CCC(=O)[C@@H]2CCCCCCC(=O)OC)cc1 | nan | |||
| 24953286 | 201384 | 0 | None | -151 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 427 | 6 | 2 | 3 | 5.8 | Cc1sc(C)c(C(=O)N[C@@H](C)c2ccc(C(=O)O)cc2)c1Cc1cccc(Cl)c1 | 10.1021/jm901771h | |||
| CHEMBL604546 | 201384 | 0 | None | -151 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 427 | 6 | 2 | 3 | 5.8 | Cc1sc(C)c(C(=O)N[C@@H](C)c2ccc(C(=O)O)cc2)c1Cc1cccc(Cl)c1 | 10.1021/jm901771h | |||
| 54013831 | 146460 | 0 | None | 3 | 2 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 402 | 13 | 1 | 4 | 5.9 | CCCCCC(O)c1ccc([C@H]2CCC(=O)[C@@H]2CCCCCCC(=O)OC)cc1 | nan | |||
| CHEMBL3922151 | 146460 | 0 | None | 3 | 2 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 402 | 13 | 1 | 4 | 5.9 | CCCCCC(O)c1ccc([C@H]2CCC(=O)[C@@H]2CCCCCCC(=O)OC)cc1 | nan | |||
| 9845064 | 69348 | 0 | None | -194 | 3 | Mouse | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 420 | 13 | 2 | 5 | 3.9 | COCc1cccc(C[C@H](O)/C=C/[C@H]2CCC(=O)[C@@H]2CCSCCCC(=O)O)c1 | 10.1016/j.bmc.2011.12.009 | |||
| CHEMBL1929528 | 69348 | 0 | None | -194 | 3 | Mouse | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 420 | 13 | 2 | 5 | 3.9 | COCc1cccc(C[C@H](O)/C=C/[C@H]2CCC(=O)[C@@H]2CCSCCCC(=O)O)c1 | 10.1016/j.bmc.2011.12.009 | |||
| 11395329 | 123847 | 0 | None | -17 | 2 | Mouse | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 395 | 8 | 1 | 5 | 4.5 | CCCCOc1ccc(C(=O)n2c(C)c(CC(=O)O)c3cc(OC)ccc32)cc1 | 10.1016/j.bmcl.2004.06.006 | |||
| CHEMBL362541 | 123847 | 0 | None | -17 | 2 | Mouse | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 395 | 8 | 1 | 5 | 4.5 | CCCCOc1ccc(C(=O)n2c(C)c(CC(=O)O)c3cc(OC)ccc32)cc1 | 10.1016/j.bmcl.2004.06.006 | |||
| 9885106 | 84773 | 0 | None | -2344 | 6 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 357 | 13 | 2 | 4 | 3.1 | CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)N1CCSCCCC(=O)O | 10.1021/jm049290a | |||
| CHEMBL223151 | 84773 | 0 | None | -2344 | 6 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 357 | 13 | 2 | 4 | 3.1 | CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)N1CCSCCCC(=O)O | 10.1021/jm049290a | |||
| 44304389 | 203153 | 0 | None | -40 | 4 | Mouse | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 372 | 13 | 3 | 5 | 3.0 | CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCSCC(=O)O | 10.1016/s0960-894x(01)00365-1 | |||
| CHEMBL64188 | 203153 | 0 | None | -40 | 4 | Mouse | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 372 | 13 | 3 | 5 | 3.0 | CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCSCC(=O)O | 10.1016/s0960-894x(01)00365-1 | |||
| 10168694 | 206349 | 0 | None | -309 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 671 | 17 | 1 | 7 | 8.2 | O=C(CCc1ccccc1-c1ccc(OCCCOc2cccc(CSCCc3ccccc3)c2)cc1)NS(=O)(=O)c1cccs1 | 10.1016/s0960-894x(02)00518-8 | |||
| CHEMBL87366 | 206349 | 0 | None | -309 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 671 | 17 | 1 | 7 | 8.2 | O=C(CCc1ccccc1-c1ccc(OCCCOc2cccc(CSCCc3ccccc3)c2)cc1)NS(=O)(=O)c1cccs1 | 10.1016/s0960-894x(02)00518-8 | |||
| 12521 | 2197 | 0 | None | -20892 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 399 | 11 | 2 | 3 | 3.6 | FC1(C(N([C@H](C1)/C=C/[C@H]([C@H](CC#CCC)C)O)CCCCCCC(=O)O)=O)F | 10.1021/acs.jmedchem.9b00336 | |||
| 72722131 | 2197 | 0 | None | -20892 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 399 | 11 | 2 | 3 | 3.6 | FC1(C(N([C@H](C1)/C=C/[C@H]([C@H](CC#CCC)C)O)CCCCCCC(=O)O)=O)F | 10.1021/acs.jmedchem.9b00336 | |||
| CHEMBL3918816 | 2197 | 0 | None | -20892 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 399 | 11 | 2 | 3 | 3.6 | FC1(C(N([C@H](C1)/C=C/[C@H]([C@H](CC#CCC)C)O)CCCCCCC(=O)O)=O)F | 10.1021/acs.jmedchem.9b00336 | |||
| 1929 | 1605 | 55 | None | -11 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 468 | 9 | 1 | 5 | 4.2 | OC(=O)COc1cccc(c1)CN(S(=O)(=O)c1cccnc1)Cc1ccc(cc1)C(C)(C)C | 10.1021/jm401431x | |||
| 9890801 | 1605 | 55 | None | -11 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 468 | 9 | 1 | 5 | 4.2 | OC(=O)COc1cccc(c1)CN(S(=O)(=O)c1cccnc1)Cc1ccc(cc1)C(C)(C)C | 10.1021/jm401431x | |||
| CHEMBL563646 | 1605 | 55 | None | -11 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 468 | 9 | 1 | 5 | 4.2 | OC(=O)COc1cccc(c1)CN(S(=O)(=O)c1cccnc1)Cc1ccc(cc1)C(C)(C)C | 10.1021/jm401431x | |||
| DB12022 | 1605 | 55 | None | -11 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 468 | 9 | 1 | 5 | 4.2 | OC(=O)COc1cccc(c1)CN(S(=O)(=O)c1cccnc1)Cc1ccc(cc1)C(C)(C)C | 10.1021/jm401431x | |||
| 10299717 | 64417 | 0 | None | -144 | 6 | Mouse | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 484 | 6 | 1 | 6 | 4.9 | Cc1cc(OC[C@@H]2CN(C)c3ccccc3O2)ccc1C(=O)n1c(C)c(CC(=O)O)c2ccccc21 | 10.1016/j.bmc.2011.06.014 | |||
| CHEMBL1813120 | 64417 | 0 | None | -144 | 6 | Mouse | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 484 | 6 | 1 | 6 | 4.9 | Cc1cc(OC[C@@H]2CN(C)c3ccccc3O2)ccc1C(=O)n1c(C)c(CC(=O)O)c2ccccc21 | 10.1016/j.bmc.2011.06.014 | |||
| 59465588 | 143526 | 0 | None | - | 1 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 422 | 13 | 1 | 3 | 6.9 | CCCCCC(O)c1ccc([C@H]2CC[C@@H](Cl)[C@@H]2CCCCCCC(=O)OC)cc1 | nan | |||
| CHEMBL3898887 | 143526 | 0 | None | - | 1 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 422 | 13 | 1 | 3 | 6.9 | CCCCCC(O)c1ccc([C@H]2CC[C@@H](Cl)[C@@H]2CCCCCCC(=O)OC)cc1 | nan | |||
| 59465575 | 145067 | 0 | None | - | 1 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 402 | 13 | 1 | 4 | 5.9 | CCCCCC(O)c1cccc([C@H]2CCC(=O)[C@@H]2CCCCCCC(=O)OC)c1 | nan | |||
| CHEMBL3911438 | 145067 | 0 | None | - | 1 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 402 | 13 | 1 | 4 | 5.9 | CCCCCC(O)c1cccc([C@H]2CCC(=O)[C@@H]2CCCCCCC(=O)OC)c1 | nan | |||
| 59465592 | 149702 | 0 | None | - | 1 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 386 | 13 | 1 | 3 | 6.6 | CCCCCC(O)c1ccc([C@H]2CCC=C2CCCCCCC(=O)OC)cc1 | nan | |||
| CHEMBL3947785 | 149702 | 0 | None | - | 1 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 386 | 13 | 1 | 3 | 6.6 | CCCCCC(O)c1ccc([C@H]2CCC=C2CCCCCCC(=O)OC)cc1 | nan | |||
| 59465590 | 150945 | 0 | None | - | 1 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 406 | 13 | 1 | 3 | 6.6 | CCCCCC(O)c1ccc([C@H]2CC[C@@H](F)[C@@H]2CCCCCCC(=O)OC)cc1 | nan | |||
| CHEMBL3957958 | 150945 | 0 | None | - | 1 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 406 | 13 | 1 | 3 | 6.6 | CCCCCC(O)c1ccc([C@H]2CC[C@@H](F)[C@@H]2CCCCCCC(=O)OC)cc1 | nan | |||
| 59465584 | 151430 | 0 | None | - | 1 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 394 | 13 | 2 | 2 | 6.7 | CCCCCC(O)c1ccc([C@H]2CC[C@@H](Cl)[C@@H]2CCCCCCCO)cc1 | nan | |||
| CHEMBL3961847 | 151430 | 0 | None | - | 1 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 394 | 13 | 2 | 2 | 6.7 | CCCCCC(O)c1ccc([C@H]2CC[C@@H](Cl)[C@@H]2CCCCCCCO)cc1 | nan | |||
| 11855325 | 144691 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 387 | 6 | 1 | 4 | 4.5 | CC(C)(C)c1ccc(N2C(=O)CC[C@@H]2COCc2ccc(C(=O)O)s2)cc1 | nan | |||
| CHEMBL3908484 | 144691 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 387 | 6 | 1 | 4 | 4.5 | CC(C)(C)c1ccc(N2C(=O)CC[C@@H]2COCc2ccc(C(=O)O)s2)cc1 | nan | |||
| 11855325 | 144691 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 387 | 6 | 1 | 4 | 4.5 | CC(C)(C)c1ccc(N2C(=O)CC[C@@H]2COCc2ccc(C(=O)O)s2)cc1 | nan | |||
| CHEMBL3908484 | 144691 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 387 | 6 | 1 | 4 | 4.5 | CC(C)(C)c1ccc(N2C(=O)CC[C@@H]2COCc2ccc(C(=O)O)s2)cc1 | nan | |||
| 57564500 | 151210 | 0 | None | 4 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 440 | 12 | 2 | 2 | 6.8 | CCCCCC(O)c1ccc([C@H]2[C@@H](Cl)C[C@@H](Cl)[C@@H]2C/C=C\CCCC(=O)O)cc1 | nan | |||
| CHEMBL3959926 | 151210 | 0 | None | 4 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 440 | 12 | 2 | 2 | 6.8 | CCCCCC(O)c1ccc([C@H]2[C@@H](Cl)C[C@@H](Cl)[C@@H]2C/C=C\CCCC(=O)O)cc1 | nan | |||
| 12137443 | 84703 | 0 | None | -5495 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 491 | 9 | 2 | 3 | 6.1 | Cc1cc(Cl)ccc1-c1cccc([C@H](O)CC[C@H]2CCC(=O)N2CCc2ccc(C(=O)O)cc2)c1 | 10.1021/jm049290a | |||
| CHEMBL222677 | 84703 | 0 | None | -5495 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 491 | 9 | 2 | 3 | 6.1 | Cc1cc(Cl)ccc1-c1cccc([C@H](O)CC[C@H]2CCC(=O)N2CCc2ccc(C(=O)O)cc2)c1 | 10.1021/jm049290a | |||
| 11224239 | 64804 | 0 | None | -1 | 4 | Mouse | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 432 | 7 | 2 | 5 | 3.8 | CN1C[C@@H](COc2ccc(C(=O)Nc3cccc(CC(=O)O)c3)cc2)Oc2ccccc21 | 10.1016/j.bmc.2011.08.007 | |||
| CHEMBL1819603 | 64804 | 0 | None | -1 | 4 | Mouse | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 432 | 7 | 2 | 5 | 3.8 | CN1C[C@@H](COc2ccc(C(=O)Nc3cccc(CC(=O)O)c3)cc2)Oc2ccccc21 | 10.1016/j.bmc.2011.08.007 | |||
| 11282034 | 66630 | 0 | None | -13 | 3 | Mouse | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 437 | 11 | 1 | 5 | 5.6 | CCCCOc1ccc(C(=O)n2c(C)c(CCCCC(=O)O)c3cc(OC)ccc32)cc1 | 10.1016/j.bmcl.2004.06.006 | |||
| CHEMBL185277 | 66630 | 0 | None | -13 | 3 | Mouse | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 437 | 11 | 1 | 5 | 5.6 | CCCCOc1ccc(C(=O)n2c(C)c(CCCCC(=O)O)c3cc(OC)ccc32)cc1 | 10.1016/j.bmcl.2004.06.006 | |||
| 46887240 | 8754 | 0 | None | -13489 | 3 | Mouse | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 472 | 10 | 3 | 3 | 6.9 | Cc1cccc(Nc2ccc(CCC(=O)O)c(C(=O)N[C@H](CC(C)C)c3cc(C)cc(C)c3)c2)c1 | 10.1016/j.bmc.2010.03.028 | |||
| CHEMBL1096382 | 8754 | 0 | None | -13489 | 3 | Mouse | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 472 | 10 | 3 | 3 | 6.9 | Cc1cccc(Nc2ccc(CCC(=O)O)c(C(=O)N[C@H](CC(C)C)c3cc(C)cc(C)c3)c2)c1 | 10.1016/j.bmc.2010.03.028 | |||
| 52945419 | 16534 | 0 | None | -478 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 772 | 16 | 4 | 6 | 10.7 | O=C(O)/C=C/c1ccccc1/C=C/Cc1cccc(O)c1OCc1ccccc1.O=C(O)/C=C/c1ccccc1C/C=C\c1cccc(O)c1OCc1ccccc1 | 10.1016/j.bmcl.2004.11.051 | |||
| CHEMBL1237296 | 16534 | 0 | None | -478 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 772 | 16 | 4 | 6 | 10.7 | O=C(O)/C=C/c1ccccc1/C=C/Cc1cccc(O)c1OCc1ccccc1.O=C(O)/C=C/c1ccccc1C/C=C\c1cccc(O)c1OCc1ccccc1 | 10.1016/j.bmcl.2004.11.051 | |||
| 56672018 | 64807 | 0 | None | -6 | 3 | Mouse | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 446 | 7 | 1 | 5 | 3.9 | CN1C[C@@H](COc2ccc(C(=O)N(C)c3cccc(CC(=O)O)c3)cc2)Oc2ccccc21 | 10.1016/j.bmc.2011.08.007 | |||
| CHEMBL1819606 | 64807 | 0 | None | -6 | 3 | Mouse | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 446 | 7 | 1 | 5 | 3.9 | CN1C[C@@H](COc2ccc(C(=O)N(C)c3cccc(CC(=O)O)c3)cc2)Oc2ccccc21 | 10.1016/j.bmc.2011.08.007 | |||
| 44303709 | 203200 | 0 | None | -870 | 3 | Mouse | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 470 | 13 | 3 | 7 | 3.3 | CSCc1cccc(C[C@H](O)/C=C/[C@H]2[C@H](O)CC(=O)[C@@H]2SCCCSCC(=O)O)c1 | 10.1016/s0960-894x(01)00364-x | |||
| CHEMBL64338 | 203200 | 0 | None | -870 | 3 | Mouse | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 470 | 13 | 3 | 7 | 3.3 | CSCc1cccc(C[C@H](O)/C=C/[C@H]2[C@H](O)CC(=O)[C@@H]2SCCCSCC(=O)O)c1 | 10.1016/s0960-894x(01)00364-x | |||
| 59465581 | 144112 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 428 | 11 | 2 | 4 | 6.1 | CCCCCC(O)c1ccc([C@H]2CCC(=O)[C@@H]2CCCc2ccc(C(=O)O)s2)cc1 | nan | |||
| CHEMBL3903611 | 144112 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 428 | 11 | 2 | 4 | 6.1 | CCCCCC(O)c1ccc([C@H]2CCC(=O)[C@@H]2CCCc2ccc(C(=O)O)s2)cc1 | nan | |||
| 44455236 | 95475 | 0 | None | -53 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 373 | 11 | 2 | 3 | 3.8 | CCCCCC[C@H](O)/C=C/[C@H]1CCC(=O)N1CCc1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2007.11.020 | |||
| CHEMBL257217 | 95475 | 0 | None | -53 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 373 | 11 | 2 | 3 | 3.8 | CCCCCC[C@H](O)/C=C/[C@H]1CCC(=O)N1CCc1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2007.11.020 | |||
| 21974448 | 66963 | 0 | None | -53 | 4 | Mouse | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 429 | 8 | 1 | 5 | 4.7 | Cc1cc2c(CC(=O)O)cccc2n1C(=O)c1ccc(OCCOc2ccccc2)cc1 | 10.1016/j.bmcl.2004.07.039 | |||
| CHEMBL186735 | 66963 | 0 | None | -53 | 4 | Mouse | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 429 | 8 | 1 | 5 | 4.7 | Cc1cc2c(CC(=O)O)cccc2n1C(=O)c1ccc(OCCOc2ccccc2)cc1 | 10.1016/j.bmcl.2004.07.039 | |||
| 11155228 | 66106 | 0 | None | -1778 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 452 | 8 | 1 | 2 | 7.2 | Cc1cccc(/C=C/Cc2ccccc2/C=C/C(=O)O)c1OCc1c(Cl)cccc1Cl | 10.1016/j.bmcl.2004.11.051 | |||
| CHEMBL183919 | 66106 | 0 | None | -1778 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 452 | 8 | 1 | 2 | 7.2 | Cc1cccc(/C=C/Cc2ccccc2/C=C/C(=O)O)c1OCc1c(Cl)cccc1Cl | 10.1016/j.bmcl.2004.11.051 | |||
| 44419347 | 82775 | 0 | None | -1778 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 452 | 8 | 1 | 2 | 7.2 | Cc1ccc(OCc2c(Cl)cccc2Cl)c(/C=C/Cc2ccccc2/C=C/C(=O)O)c1 | 10.1016/j.bmcl.2006.08.025 | |||
| CHEMBL217988 | 82775 | 0 | None | -1778 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 452 | 8 | 1 | 2 | 7.2 | Cc1ccc(OCc2c(Cl)cccc2Cl)c(/C=C/Cc2ccccc2/C=C/C(=O)O)c1 | 10.1016/j.bmcl.2006.08.025 | |||
| 10298293 | 94167 | 0 | None | -426 | 2 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 460 | 9 | 2 | 4 | 3.1 | O=C(O)c1ccc(CCN2C(=O)CCN2CCC(O)Cc2cccc(Br)c2)cc1 | 10.1016/j.bmcl.2007.09.074 | |||
| CHEMBL249538 | 94167 | 0 | None | -426 | 2 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 460 | 9 | 2 | 4 | 3.1 | O=C(O)c1ccc(CCN2C(=O)CCN2CCC(O)Cc2cccc(Br)c2)cc1 | 10.1016/j.bmcl.2007.09.074 | |||
| 52944193 | 16533 | 0 | None | -63 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 768 | 16 | 2 | 4 | 11.9 | Cc1cccc(/C=C/Cc2ccccc2/C=C/C(=O)O)c1OCc1ccccc1.Cc1cccc(C/C=C/c2ccccc2/C=C/C(=O)O)c1OCc1ccccc1 | 10.1016/j.bmcl.2004.11.051 | |||
| CHEMBL1237295 | 16533 | 0 | None | -63 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 768 | 16 | 2 | 4 | 11.9 | Cc1cccc(/C=C/Cc2ccccc2/C=C/C(=O)O)c1OCc1ccccc1.Cc1cccc(C/C=C/c2ccccc2/C=C/C(=O)O)c1OCc1ccccc1 | 10.1016/j.bmcl.2004.11.051 | |||
| 21362905 | 171307 | 0 | None | -8 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 428 | 8 | 1 | 3 | 6.9 | CC(Cc1ccccc1-c1csc(-c2ccccc2OCc2ccccc2)c1)C(=O)O | 10.1016/s0960-894x(03)00794-7 | |||
| CHEMBL446098 | 171307 | 0 | None | -8 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 428 | 8 | 1 | 3 | 6.9 | CC(Cc1ccccc1-c1csc(-c2ccccc2OCc2ccccc2)c1)C(=O)O | 10.1016/s0960-894x(03)00794-7 | |||
| 58932683 | 75287 | 0 | None | -354 | 3 | Mouse | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 549 | 10 | 2 | 8 | 5.2 | Cc1ccc2nc(-c3cccc(C[C@H](O)/C=C/[C@H]4CCC(=O)N4CCSc4nc(C(=O)O)cs4)c3)oc2c1 | 10.1016/j.bmc.2012.04.008 | |||
| CHEMBL2037289 | 75287 | 0 | None | -354 | 3 | Mouse | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 549 | 10 | 2 | 8 | 5.2 | Cc1ccc2nc(-c3cccc(C[C@H](O)/C=C/[C@H]4CCC(=O)N4CCSc4nc(C(=O)O)cs4)c3)oc2c1 | 10.1016/j.bmc.2012.04.008 | |||
| 44444716 | 154837 | 0 | None | -12 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 484 | 12 | 1 | 3 | 5.4 | CC(CCN1CCC(=O)N1CCc1ccc(C(=O)O)cc1)Cc1cccc(CCc2ccccc2)c1 | 10.1016/j.bmcl.2007.09.074 | |||
| CHEMBL400447 | 154837 | 0 | None | -12 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 484 | 12 | 1 | 3 | 5.4 | CC(CCN1CCC(=O)N1CCc1ccc(C(=O)O)cc1)Cc1cccc(CCc2ccccc2)c1 | 10.1016/j.bmcl.2007.09.074 | |||
| 10295421 | 94197 | 0 | None | -316 | 2 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 416 | 9 | 2 | 4 | 3.0 | O=C(O)c1ccc(CCN2C(=O)CCN2CCC(O)Cc2cccc(Cl)c2)cc1 | 10.1016/j.bmcl.2007.09.074 | |||
| CHEMBL249744 | 94197 | 0 | None | -316 | 2 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 416 | 9 | 2 | 4 | 3.0 | O=C(O)c1ccc(CCN2C(=O)CCN2CCC(O)Cc2cccc(Cl)c2)cc1 | 10.1016/j.bmcl.2007.09.074 | |||
| 44234032 | 147925 | 0 | None | -81 | 6 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 415 | 8 | 1 | 4 | 5.0 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2cccc(F)c2)CC1 | 10.1021/acs.jmedchem.6b00871 | |||
| CHEMBL3933704 | 147925 | 0 | None | -81 | 6 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 415 | 8 | 1 | 4 | 5.0 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2cccc(F)c2)CC1 | 10.1021/acs.jmedchem.6b00871 | |||
| 11165749 | 165959 | 0 | None | -20 | 3 | Mouse | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 409 | 9 | 1 | 5 | 4.8 | CCCCOc1ccc(C(=O)n2c(C)c(CCC(=O)O)c3cc(OC)ccc32)cc1 | 10.1016/j.bmcl.2004.06.006 | |||
| CHEMBL425167 | 165959 | 0 | None | -20 | 3 | Mouse | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 409 | 9 | 1 | 5 | 4.8 | CCCCOc1ccc(C(=O)n2c(C)c(CCC(=O)O)c3cc(OC)ccc32)cc1 | 10.1016/j.bmcl.2004.06.006 | |||
| 44520990 | 199853 | 0 | None | -6 | 3 | Mouse | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 410 | 6 | 2 | 4 | 5.3 | Cc1ccc(/C=C/C(=O)O)c(OCCC2(C)CCc3c(C)c(O)c(C)c(C)c3O2)c1 | 10.1016/j.bmc.2009.08.007 | |||
| CHEMBL594423 | 199853 | 0 | None | -6 | 3 | Mouse | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 410 | 6 | 2 | 4 | 5.3 | Cc1ccc(/C=C/C(=O)O)c(OCCC2(C)CCc3c(C)c(O)c(C)c(C)c3O2)c1 | 10.1016/j.bmc.2009.08.007 | |||
| 11855867 | 145983 | 0 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 389 | 8 | 2 | 5 | 3.6 | CCC(O)c1ccc(N2C(=O)CC[C@@H]2COCc2ccc(C(=O)O)s2)cc1 | nan | |||
| CHEMBL3918349 | 145983 | 0 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 389 | 8 | 2 | 5 | 3.6 | CCC(O)c1ccc(N2C(=O)CC[C@@H]2COCc2ccc(C(=O)O)s2)cc1 | nan | |||
| 11855867 | 145983 | 0 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 389 | 8 | 2 | 5 | 3.6 | CCC(O)c1ccc(N2C(=O)CC[C@@H]2COCc2ccc(C(=O)O)s2)cc1 | nan | |||
| CHEMBL3918349 | 145983 | 0 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 389 | 8 | 2 | 5 | 3.6 | CCC(O)c1ccc(N2C(=O)CC[C@@H]2COCc2ccc(C(=O)O)s2)cc1 | nan | |||
| 44304403 | 169097 | 0 | None | -16 | 4 | Mouse | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 420 | 12 | 3 | 4 | 3.8 | COCc1cccc(C[C@H](O)/C=C/[C@H]2[C@H](O)C[C@@H](F)[C@@H]2C/C=C/CCCC(=O)O)c1 | 10.1016/s0960-894x(01)00365-1 | |||
| CHEMBL439934 | 169097 | 0 | None | -16 | 4 | Mouse | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 420 | 12 | 3 | 4 | 3.8 | COCc1cccc(C[C@H](O)/C=C/[C@H]2[C@H](O)C[C@@H](F)[C@@H]2C/C=C/CCCC(=O)O)c1 | 10.1016/s0960-894x(01)00365-1 | |||
| 44290314 | 173974 | 0 | None | -5754 | 3 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 403 | 10 | 2 | 4 | 3.9 | O=C(O)CCCCCCN1C(=O)CC[C@@H]1/C=C/C(O)c1ccc(C(F)(F)F)o1 | 10.1016/j.bmcl.2004.01.063 | |||
| CHEMBL45418 | 173974 | 0 | None | -5754 | 3 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 403 | 10 | 2 | 4 | 3.9 | O=C(O)CCCCCCN1C(=O)CC[C@@H]1/C=C/C(O)c1ccc(C(F)(F)F)o1 | 10.1016/j.bmcl.2004.01.063 | |||
| 44320272 | 206262 | 0 | None | -1 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 507 | 10 | 1 | 5 | 5.9 | O=C(Cc1ccccc1-c1ccc(CSCCc2ccccc2)cc1)NS(=O)(=O)c1cccs1 | 10.1016/s0960-894x(02)00518-8 | |||
| CHEMBL86886 | 206262 | 0 | None | -1 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 507 | 10 | 1 | 5 | 5.9 | O=C(Cc1ccccc1-c1ccc(CSCCc2ccccc2)cc1)NS(=O)(=O)c1cccs1 | 10.1016/s0960-894x(02)00518-8 | |||
| 24952929 | 2554 | 42 | None | -9332 | 5 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 473 | 6 | 2 | 3 | 6.1 | OC(=O)c1ccc(cc1)C1(CC1)NC(=O)c1c(C)sc(c1Cc1ccc(cc1)C(F)(F)F)C | 10.1021/jm901771h | |||
| 4041 | 2554 | 42 | None | -9332 | 5 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 473 | 6 | 2 | 3 | 6.1 | OC(=O)c1ccc(cc1)C1(CC1)NC(=O)c1c(C)sc(c1Cc1ccc(cc1)C(F)(F)F)C | 10.1021/jm901771h | |||
| CHEMBL597997 | 2554 | 42 | None | -9332 | 5 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 473 | 6 | 2 | 3 | 6.1 | OC(=O)c1ccc(cc1)C1(CC1)NC(=O)c1c(C)sc(c1Cc1ccc(cc1)C(F)(F)F)C | 10.1021/jm901771h | |||
| 10295336 | 201446 | 0 | None | -53 | 4 | Mouse | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 415 | 8 | 1 | 3 | 4.7 | O=C(O)/C=C/c1ccc(CN2CCCC2=O)cc1OCCc1ccc2ccccc2c1 | 10.1016/j.bmc.2009.08.007 | |||
| CHEMBL604897 | 201446 | 0 | None | -53 | 4 | Mouse | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 415 | 8 | 1 | 3 | 4.7 | O=C(O)/C=C/c1ccc(CN2CCCC2=O)cc1OCCc1ccc2ccccc2c1 | 10.1016/j.bmc.2009.08.007 | |||
| 44290266 | 161708 | 0 | None | -8 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 353 | 12 | 3 | 4 | 2.3 | CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)N1C/C=C/CCCC(=O)O | 10.1016/j.bmcl.2004.01.063 | |||
| CHEMBL413509 | 161708 | 0 | None | -8 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 353 | 12 | 3 | 4 | 2.3 | CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)N1C/C=C/CCCC(=O)O | 10.1016/j.bmcl.2004.01.063 | |||
| 44394380 | 125429 | 0 | None | -6 | 4 | Mouse | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 457 | 6 | 1 | 6 | 4.5 | Cc1cc2c(CC(=O)O)cccc2n1C(=O)c1ccc(OC[C@@H]2COc3ccccc3O2)cc1 | 10.1016/j.bmcl.2004.07.039 | |||
| CHEMBL364593 | 125429 | 0 | None | -6 | 4 | Mouse | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 457 | 6 | 1 | 6 | 4.5 | Cc1cc2c(CC(=O)O)cccc2n1C(=O)c1ccc(OC[C@@H]2COc3ccccc3O2)cc1 | 10.1016/j.bmcl.2004.07.039 | |||
| 44442337 | 94007 | 0 | None | 1 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 381 | 8 | 1 | 2 | 5.0 | C/C(=C/C=C/[C@H]1CCC(=O)N1CCc1ccc(C(=O)O)cc1)CC1CCCC1 | 10.1016/j.bmcl.2007.05.025 | |||
| CHEMBL248678 | 94007 | 0 | None | 1 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 381 | 8 | 1 | 2 | 5.0 | C/C(=C/C=C/[C@H]1CCC(=O)N1CCc1ccc(C(=O)O)cc1)CC1CCCC1 | 10.1016/j.bmcl.2007.05.025 | |||
| 44442331 | 94490 | 0 | None | -15 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 355 | 9 | 1 | 2 | 4.6 | CCCC/C(C)=C\C=C\[C@H]1CCC(=O)N1CCc1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2007.05.025 | |||
| CHEMBL251505 | 94490 | 0 | None | -15 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 355 | 9 | 1 | 2 | 4.6 | CCCC/C(C)=C\C=C\[C@H]1CCC(=O)N1CCc1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2007.05.025 | |||
| 10278907 | 64418 | 0 | None | -138 | 3 | Mouse | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 504 | 6 | 1 | 6 | 5.2 | Cc1c(CC(=O)O)c2ccccc2n1C(=O)c1ccc(OC[C@@H]2CN(C)c3ccccc3O2)cc1Cl | 10.1016/j.bmc.2011.06.014 | |||
| CHEMBL1813121 | 64418 | 0 | None | -138 | 3 | Mouse | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 504 | 6 | 1 | 6 | 5.2 | Cc1c(CC(=O)O)c2ccccc2n1C(=O)c1ccc(OC[C@@H]2CN(C)c3ccccc3O2)cc1Cl | 10.1016/j.bmc.2011.06.014 | |||
| 59465570 | 143259 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 392 | 13 | 2 | 2 | 6.6 | CCCCCC(O)c1ccc([C@H]2CC[C@@H](F)[C@@H]2CCCCCCC(=O)O)cc1 | nan | |||
| CHEMBL3896693 | 143259 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 392 | 13 | 2 | 2 | 6.6 | CCCCCC(O)c1ccc([C@H]2CC[C@@H](F)[C@@H]2CCCCCCC(=O)O)cc1 | nan | |||
| 134147021 | 150024 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 414 | 13 | 2 | 3 | 6.9 | CCCCCC(O)c1ccc([C@H]2CC[C@@H](Cl)[C@@H]2CCCCCCC(=O)O)s1 | nan | |||
| CHEMBL3950412 | 150024 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 414 | 13 | 2 | 3 | 6.9 | CCCCCC(O)c1ccc([C@H]2CC[C@@H](Cl)[C@@H]2CCCCCCC(=O)O)s1 | nan | |||
| 10204257 | 94169 | 0 | None | -104 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 450 | 9 | 2 | 4 | 3.4 | O=C(O)c1ccc(CCN2C(=O)CCN2CCC(O)Cc2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2007.09.074 | |||
| CHEMBL249540 | 94169 | 0 | None | -104 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 450 | 9 | 2 | 4 | 3.4 | O=C(O)c1ccc(CCN2C(=O)CCN2CCC(O)Cc2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2007.09.074 | |||
| 44219292 | 112582 | 38 | None | -204 | 7 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 431 | 8 | 1 | 4 | 5.5 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2ccc(Cl)cc2)CC1 | 10.1021/acs.jmedchem.6b00871 | |||
| CHEMBL3301604 | 112582 | 38 | None | -204 | 7 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 431 | 8 | 1 | 4 | 5.5 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2ccc(Cl)cc2)CC1 | 10.1021/acs.jmedchem.6b00871 | |||
| 57400087 | 71302 | 0 | None | -2 | 2 | Mouse | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 413 | 8 | 2 | 3 | 4.0 | O=C(O)CCc1cccc(N2C(=O)CC[C@@H]2/C=C/[C@@H](O)Cc2cccc(Cl)c2)c1 | 10.1016/j.bmc.2012.02.018 | |||
| CHEMBL1957431 | 71302 | 0 | None | -2 | 2 | Mouse | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 413 | 8 | 2 | 3 | 4.0 | O=C(O)CCc1cccc(N2C(=O)CC[C@@H]2/C=C/[C@@H](O)Cc2cccc(Cl)c2)c1 | 10.1016/j.bmc.2012.02.018 | |||
| 57893916 | 75155 | 0 | None | -1288 | 2 | Mouse | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 454 | 12 | 2 | 5 | 3.8 | O=C(O)CCCSCCN1C(=O)CC[C@@H]1/C=C/[C@@H](O)Cc1cccc(-c2ccccn2)c1 | 10.1016/j.bmc.2012.04.008 | |||
| CHEMBL2036309 | 75155 | 0 | None | -1288 | 2 | Mouse | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 454 | 12 | 2 | 5 | 3.8 | O=C(O)CCCSCCN1C(=O)CC[C@@H]1/C=C/[C@@H](O)Cc1cccc(-c2ccccn2)c1 | 10.1016/j.bmc.2012.04.008 | |||
| 56672019 | 64814 | 0 | None | -7 | 4 | Mouse | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 460 | 7 | 2 | 5 | 4.5 | Cc1cc(CC(=O)O)cc(NC(=O)c2ccc(OC[C@@H]3CN(C)c4ccccc4O3)cc2C)c1 | 10.1016/j.bmc.2011.08.007 | |||
| CHEMBL1819612 | 64814 | 0 | None | -7 | 4 | Mouse | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 460 | 7 | 2 | 5 | 4.5 | Cc1cc(CC(=O)O)cc(NC(=O)c2ccc(OC[C@@H]3CN(C)c4ccccc4O3)cc2C)c1 | 10.1016/j.bmc.2011.08.007 | |||
| 8541 | 2944 | 2 | None | -1548 | 4 | Mouse | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 436 | 13 | 3 | 6 | 2.8 | COCc1cccc(c1)C[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCSCCCC(=O)O)O | 10.1016/s0960-894x(01)00365-1 | |||
| 9824353 | 2944 | 2 | None | -1548 | 4 | Mouse | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 436 | 13 | 3 | 6 | 2.8 | COCc1cccc(c1)C[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCSCCCC(=O)O)O | 10.1016/s0960-894x(01)00365-1 | |||
| CHEMBL292964 | 2944 | 2 | None | -1548 | 4 | Mouse | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 436 | 13 | 3 | 6 | 2.8 | COCc1cccc(c1)C[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCSCCCC(=O)O)O | 10.1016/s0960-894x(01)00365-1 | |||
| 8541 | 2944 | 2 | None | -1548 | 4 | Mouse | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 436 | 13 | 3 | 6 | 2.8 | COCc1cccc(c1)C[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCSCCCC(=O)O)O | 10.1021/jm9018756 | |||
| 9824353 | 2944 | 2 | None | -1548 | 4 | Mouse | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 436 | 13 | 3 | 6 | 2.8 | COCc1cccc(c1)C[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCSCCCC(=O)O)O | 10.1021/jm9018756 | |||
| CHEMBL292964 | 2944 | 2 | None | -1548 | 4 | Mouse | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 436 | 13 | 3 | 6 | 2.8 | COCc1cccc(c1)C[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCSCCCC(=O)O)O | 10.1021/jm9018756 | |||
| 8541 | 2944 | 2 | None | -1548 | 4 | Mouse | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 436 | 13 | 3 | 6 | 2.8 | COCc1cccc(c1)C[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCSCCCC(=O)O)O | 10.1016/j.bmc.2011.12.009 | |||
| 9824353 | 2944 | 2 | None | -1548 | 4 | Mouse | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 436 | 13 | 3 | 6 | 2.8 | COCc1cccc(c1)C[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCSCCCC(=O)O)O | 10.1016/j.bmc.2011.12.009 | |||
| CHEMBL292964 | 2944 | 2 | None | -1548 | 4 | Mouse | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 436 | 13 | 3 | 6 | 2.8 | COCc1cccc(c1)C[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCSCCCC(=O)O)O | 10.1016/j.bmc.2011.12.009 | |||
| 10221497 | 94139 | 0 | None | -91 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 382 | 9 | 2 | 4 | 2.4 | O=C(O)c1ccc(CCN2C(=O)CCN2CCC(O)Cc2ccccc2)cc1 | 10.1016/j.bmcl.2007.09.074 | |||
| CHEMBL249342 | 94139 | 0 | None | -91 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 382 | 9 | 2 | 4 | 2.4 | O=C(O)c1ccc(CCN2C(=O)CCN2CCC(O)Cc2ccccc2)cc1 | 10.1016/j.bmcl.2007.09.074 | |||
| 10272306 | 154836 | 0 | None | -173 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 400 | 9 | 2 | 4 | 2.5 | O=C(O)c1ccc(CCN2C(=O)CCN2CCC(O)Cc2cccc(F)c2)cc1 | 10.1016/j.bmcl.2007.09.074 | |||
| CHEMBL400446 | 154836 | 0 | None | -173 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 400 | 9 | 2 | 4 | 2.5 | O=C(O)c1ccc(CCN2C(=O)CCN2CCC(O)Cc2cccc(F)c2)cc1 | 10.1016/j.bmcl.2007.09.074 | |||
| 71452690 | 78625 | 0 | None | 15 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 400 | 9 | 1 | 4 | 5.1 | c1ccc(CCSCc2ccc(-c3ccccc3CCc3nnn[nH]3)cc2)cc1 | 10.1016/s0960-894x(02)00518-8 | |||
| CHEMBL2112332 | 78625 | 0 | None | 15 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 400 | 9 | 1 | 4 | 5.1 | c1ccc(CCSCc2ccc(-c3ccccc3CCc3nnn[nH]3)cc2)cc1 | 10.1016/s0960-894x(02)00518-8 | |||
| 52950151 | 16537 | 0 | None | 3 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 768 | 16 | 2 | 4 | 11.9 | Cc1cccc(/C=C/Cc2cccc(/C=C/C(=O)O)c2)c1OCc1ccccc1.Cc1cccc(C/C=C/c2cccc(/C=C/C(=O)O)c2)c1OCc1ccccc1 | 10.1016/j.bmcl.2004.11.051 | |||
| CHEMBL1237299 | 16537 | 0 | None | 3 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 768 | 16 | 2 | 4 | 11.9 | Cc1cccc(/C=C/Cc2cccc(/C=C/C(=O)O)c2)c1OCc1ccccc1.Cc1cccc(C/C=C/c2cccc(/C=C/C(=O)O)c2)c1OCc1ccccc1 | 10.1016/j.bmcl.2004.11.051 | |||
| 22008967 | 83149 | 0 | None | -2691 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 439 | 8 | 1 | 5 | 4.5 | COc1ccc(/C=C/Cc2ccccc2/C=C/C(=O)NS(=O)(=O)c2cccs2)cc1 | 10.1016/j.bmcl.2006.08.025 | |||
| CHEMBL218228 | 83149 | 0 | None | -2691 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 439 | 8 | 1 | 5 | 4.5 | COc1ccc(/C=C/Cc2ccccc2/C=C/C(=O)NS(=O)(=O)c2cccs2)cc1 | 10.1016/j.bmcl.2006.08.025 | |||
| 22008966 | 83150 | 0 | None | -2691 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 439 | 8 | 1 | 5 | 4.5 | COc1ccc(C/C=C/c2ccccc2/C=C/C(=O)NS(=O)(=O)c2cccs2)cc1 | 10.1016/j.bmcl.2006.08.025 | |||
| CHEMBL218229 | 83150 | 0 | None | -2691 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 439 | 8 | 1 | 5 | 4.5 | COc1ccc(C/C=C/c2ccccc2/C=C/C(=O)NS(=O)(=O)c2cccs2)cc1 | 10.1016/j.bmcl.2006.08.025 | |||
| 13230981 | 35067 | 0 | None | -1122 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 339 | 13 | 2 | 3 | 3.5 | CCCCCC(O)/C=C/[C@H]1CCC(=O)N1CCCCCCC(=O)O | 10.1016/s0960-894x(03)00042-8 | |||
| CHEMBL14334 | 35067 | 0 | None | -1122 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 339 | 13 | 2 | 3 | 3.5 | CCCCCC(O)/C=C/[C@H]1CCC(=O)N1CCCCCCC(=O)O | 10.1016/s0960-894x(03)00042-8 | |||
| 10348006 | 75290 | 0 | None | -338 | 3 | Mouse | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 569 | 10 | 2 | 8 | 5.5 | O=C(O)c1csc(SCCN2C(=O)CC[C@@H]2/C=C/[C@@H](O)Cc2cccc(-c3nc4cc(Cl)ccc4o3)c2)n1 | 10.1016/j.bmc.2012.04.008 | |||
| CHEMBL2037292 | 75290 | 0 | None | -338 | 3 | Mouse | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 569 | 10 | 2 | 8 | 5.5 | O=C(O)c1csc(SCCN2C(=O)CC[C@@H]2/C=C/[C@@H](O)Cc2cccc(-c3nc4cc(Cl)ccc4o3)c2)n1 | 10.1016/j.bmc.2012.04.008 | |||
| 52943000 | 16535 | 0 | None | -26 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 740 | 16 | 2 | 4 | 11.2 | O=C(O)/C=C/c1ccccc1/C=C/Cc1ccccc1OCc1ccccc1.O=C(O)/C=C/c1ccccc1C/C=C\c1ccccc1OCc1ccccc1 | 10.1016/j.bmcl.2004.11.051 | |||
| CHEMBL1237297 | 16535 | 0 | None | -26 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 740 | 16 | 2 | 4 | 11.2 | O=C(O)/C=C/c1ccccc1/C=C/Cc1ccccc1OCc1ccccc1.O=C(O)/C=C/c1ccccc1C/C=C\c1ccccc1OCc1ccccc1 | 10.1016/j.bmcl.2004.11.051 | |||
| 10319835 | 69367 | 0 | None | -16982 | 3 | Mouse | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 417 | 13 | 2 | 3 | 4.9 | CCCc1cccc(C[C@H](O)/C=C/[C@H]2CCC(=S)N2CCCCCCC(=O)O)c1 | 10.1016/j.bmc.2011.12.009 | |||
| CHEMBL1929547 | 69367 | 0 | None | -16982 | 3 | Mouse | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 417 | 13 | 2 | 3 | 4.9 | CCCc1cccc(C[C@H](O)/C=C/[C@H]2CCC(=S)N2CCCCCCC(=O)O)c1 | 10.1016/j.bmc.2011.12.009 | |||
| 44520991 | 199702 | 0 | None | -7 | 2 | Mouse | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 426 | 7 | 2 | 5 | 5.0 | COc1ccc(/C=C/C(=O)O)c(OCCC2(C)CCc3c(C)c(O)c(C)c(C)c3O2)c1 | 10.1016/j.bmc.2009.08.007 | |||
| CHEMBL593260 | 199702 | 0 | None | -7 | 2 | Mouse | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 426 | 7 | 2 | 5 | 5.0 | COc1ccc(/C=C/C(=O)O)c(OCCC2(C)CCc3c(C)c(O)c(C)c(C)c3O2)c1 | 10.1016/j.bmc.2009.08.007 | |||
| 44289977 | 162759 | 0 | None | -478 | 2 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 413 | 10 | 2 | 3 | 4.3 | O=C(O)CCCCCCN1C(=O)CC[C@@H]1/C=C/C(O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2004.01.063 | |||
| CHEMBL417171 | 162759 | 0 | None | -478 | 2 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 413 | 10 | 2 | 3 | 4.3 | O=C(O)CCCCCCN1C(=O)CC[C@@H]1/C=C/C(O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2004.01.063 | |||
| 12003887 | 71299 | 0 | None | -776 | 2 | Mouse | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 411 | 11 | 2 | 4 | 3.4 | O=C(O)CCCSCCN1C(=O)CC[C@@H]1/C=C/[C@@H](O)Cc1cccc(Cl)c1 | 10.1016/j.bmc.2012.02.018 | |||
| CHEMBL1957308 | 71299 | 0 | None | -776 | 2 | Mouse | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 411 | 11 | 2 | 4 | 3.4 | O=C(O)CCCSCCN1C(=O)CC[C@@H]1/C=C/[C@@H](O)Cc1cccc(Cl)c1 | 10.1016/j.bmc.2012.02.018 | |||
| 67078970 | 129199 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 416 | 6 | 3 | 5 | 4.4 | COC(=O)c1ccc(CNC(=O)c2[nH]c(-c3ccoc3)cc2-c2ccc(O)cc2)cc1 | nan | |||
| CHEMBL3670655 | 129199 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 416 | 6 | 3 | 5 | 4.4 | COC(=O)c1ccc(CNC(=O)c2[nH]c(-c3ccoc3)cc2-c2ccc(O)cc2)cc1 | nan | |||
| 25114442 | 3061 | 56 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 409 | 6 | 1 | 4 | 3.6 | COc1ccc2c(c1)ccc(c2)OCC1(CN(C1)C(=O)c1ccc(cc1)F)C(=O)O | 10.1021/acs.jmedchem.1c00816 | |||
| 5817 | 3061 | 56 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 409 | 6 | 1 | 4 | 3.6 | COc1ccc2c(c1)ccc(c2)OCC1(CN(C1)C(=O)c1ccc(cc1)F)C(=O)O | 10.1021/acs.jmedchem.1c00816 | |||
| CHEMBL3286797 | 3061 | 56 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 409 | 6 | 1 | 4 | 3.6 | COc1ccc2c(c1)ccc(c2)OCC1(CN(C1)C(=O)c1ccc(cc1)F)C(=O)O | 10.1021/acs.jmedchem.1c00816 | |||
| DB12024 | 3061 | 56 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 409 | 6 | 1 | 4 | 3.6 | COc1ccc2c(c1)ccc(c2)OCC1(CN(C1)C(=O)c1ccc(cc1)F)C(=O)O | 10.1021/acs.jmedchem.1c00816 | |||
| 59465571 | 146285 | 0 | None | 21 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 386 | 12 | 2 | 3 | 5.6 | CCCCCC(O)c1ccc([C@H]2CCC(=O)[C@@H]2C/C=C\CCCC(=O)O)cc1 | nan | |||
| CHEMBL3920796 | 146285 | 0 | None | 21 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 386 | 12 | 2 | 3 | 5.6 | CCCCCC(O)c1ccc([C@H]2CCC(=O)[C@@H]2C/C=C\CCCC(=O)O)cc1 | nan | |||
| 59465600 | 151698 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 388 | 13 | 2 | 3 | 5.3 | CCCCC(O)Cc1ccc([C@H]2CCC(=O)[C@@H]2CCCCCCC(=O)O)cc1 | nan | |||
| CHEMBL3964261 | 151698 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 388 | 13 | 2 | 3 | 5.3 | CCCCC(O)Cc1ccc([C@H]2CCC(=O)[C@@H]2CCCCCCC(=O)O)cc1 | nan | |||
| 21362845 | 106903 | 0 | None | -630 | 4 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 556 | 7 | 1 | 5 | 7.3 | O=C(/C=C/c1ccccc1-c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1)NS(=O)(=O)c1cccs1 | 10.1016/s0960-894x(02)00518-8 | |||
| CHEMBL314616 | 106903 | 0 | None | -630 | 4 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 556 | 7 | 1 | 5 | 7.3 | O=C(/C=C/c1ccccc1-c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1)NS(=O)(=O)c1cccs1 | 10.1016/s0960-894x(02)00518-8 | |||
| 52943002 | 16539 | 0 | None | -2 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 716 | 14 | 2 | 4 | 11.1 | Cc1cccc(/C=C\Cc2ccccc2C(=O)O)c1OCc1ccccc1.Cc1cccc(C/C=C/c2ccccc2C(=O)O)c1OCc1ccccc1 | 10.1016/j.bmcl.2004.11.051 | |||
| CHEMBL1237301 | 16539 | 0 | None | -2 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 716 | 14 | 2 | 4 | 11.1 | Cc1cccc(/C=C\Cc2ccccc2C(=O)O)c1OCc1ccccc1.Cc1cccc(C/C=C/c2ccccc2C(=O)O)c1OCc1ccccc1 | 10.1016/j.bmcl.2004.11.051 | |||
| 67245477 | 144883 | 0 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 428 | 13 | 1 | 4 | 7.0 | CCCCCC(O)c1ccc([C@H]2CC[C@@H](Cl)[C@@H]2CCCCCCC(=O)OC)s1 | nan | |||
| CHEMBL3909989 | 144883 | 0 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 428 | 13 | 1 | 4 | 7.0 | CCCCCC(O)c1ccc([C@H]2CC[C@@H](Cl)[C@@H]2CCCCCCC(=O)OC)s1 | nan | |||
| 44289921 | 164371 | 0 | None | -9332 | 3 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 365 | 11 | 2 | 3 | 3.9 | O=C(O)CCCCCCN1C(=O)CC[C@@H]1/C=C/[C@@H](O)CC1CCCCC1 | 10.1016/j.bmcl.2004.01.063 | |||
| CHEMBL42129 | 164371 | 0 | None | -9332 | 3 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 365 | 11 | 2 | 3 | 3.9 | O=C(O)CCCCCCN1C(=O)CC[C@@H]1/C=C/[C@@H](O)CC1CCCCC1 | 10.1016/j.bmcl.2004.01.063 | |||
| 57893891 | 75159 | 0 | None | -1995 | 2 | Mouse | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 510 | 12 | 2 | 6 | 5.0 | O=C(O)CCCSCCN1C(=O)CC[C@@H]1/C=C/[C@@H](O)Cc1cccc(-c2nc3ccccc3s2)c1 | 10.1016/j.bmc.2012.04.008 | |||
| CHEMBL2036313 | 75159 | 0 | None | -1995 | 2 | Mouse | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 510 | 12 | 2 | 6 | 5.0 | O=C(O)CCCSCCN1C(=O)CC[C@@H]1/C=C/[C@@H](O)Cc1cccc(-c2nc3ccccc3s2)c1 | 10.1016/j.bmc.2012.04.008 | |||
| 24952929 | 2554 | 42 | None | -11481 | 5 | Rat | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 473 | 6 | 2 | 3 | 6.1 | OC(=O)c1ccc(cc1)C1(CC1)NC(=O)c1c(C)sc(c1Cc1ccc(cc1)C(F)(F)F)C | 10.1021/jm901771h | |||
| 4041 | 2554 | 42 | None | -11481 | 5 | Rat | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 473 | 6 | 2 | 3 | 6.1 | OC(=O)c1ccc(cc1)C1(CC1)NC(=O)c1c(C)sc(c1Cc1ccc(cc1)C(F)(F)F)C | 10.1021/jm901771h | |||
| CHEMBL597997 | 2554 | 42 | None | -11481 | 5 | Rat | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 473 | 6 | 2 | 3 | 6.1 | OC(=O)c1ccc(cc1)C1(CC1)NC(=O)c1c(C)sc(c1Cc1ccc(cc1)C(F)(F)F)C | 10.1021/jm901771h | |||
| 1892 | 747 | 20 | None | -2 | 9 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 394 | 13 | 3 | 4 | 4.3 | CCCC1(CCC1)[C@H](C/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | 10.1021/jm401431x | |||
| 25886893 | 747 | 20 | None | -2 | 9 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 394 | 13 | 3 | 4 | 4.3 | CCCC1(CCC1)[C@H](C/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | 10.1021/jm401431x | |||
| CHEMBL1628262 | 747 | 20 | None | -2 | 9 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 394 | 13 | 3 | 4 | 4.3 | CCCC1(CCC1)[C@H](C/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | 10.1021/jm401431x | |||
| 44304181 | 203273 | 0 | None | 12 | 2 | Mouse | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 394 | 13 | 3 | 4 | 4.3 | CCCC1([C@@H](O)C/C=C/C2[C@H](O)CC(=O)[C@@H]2CCCCCCC(=O)O)CCC1 | 10.1016/s0960-894x(01)00359-6 | |||
| CHEMBL64663 | 203273 | 0 | None | 12 | 2 | Mouse | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 394 | 13 | 3 | 4 | 4.3 | CCCC1([C@@H](O)C/C=C/C2[C@H](O)CC(=O)[C@@H]2CCCCCCC(=O)O)CCC1 | 10.1016/s0960-894x(01)00359-6 | |||
| 9965922 | 63877 | 0 | None | -724 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 294 | 5 | 2 | 2 | 4.1 | Cc1cccc(/C=C/Cc2ccccc2/C=C/C(=O)O)c1O | 10.1016/j.bmcl.2004.11.051 | |||
| CHEMBL180389 | 63877 | 0 | None | -724 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 294 | 5 | 2 | 2 | 4.1 | Cc1cccc(/C=C/Cc2ccccc2/C=C/C(=O)O)c1O | 10.1016/j.bmcl.2004.11.051 | |||
| 24765153 | 184529 | 0 | None | -11481 | 8 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 434 | 5 | 1 | 4 | 6.6 | CC(C)c1nccc2c1c(Sc1ccc(Cl)c(Cl)c1)c1n2CC[C@H]1CC(=O)O | 10.1016/j.bmcl.2009.03.010 | |||
| CHEMBL484778 | 184529 | 0 | None | -11481 | 8 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 434 | 5 | 1 | 4 | 6.6 | CC(C)c1nccc2c1c(Sc1ccc(Cl)c(Cl)c1)c1n2CC[C@H]1CC(=O)O | 10.1016/j.bmcl.2009.03.010 | |||
| 9910141 | 100875 | 0 | None | -1513 | 3 | Mouse | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 422 | 11 | 4 | 6 | 2.7 | Cc1cc(C[C@H](O)/C=C/[C@H]2[C@H](O)CC(=O)[C@@H]2CCSCCCC(=O)O)ccc1O | 10.1016/s0960-894x(01)00365-1 | |||
| CHEMBL293647 | 100875 | 0 | None | -1513 | 3 | Mouse | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 422 | 11 | 4 | 6 | 2.7 | Cc1cc(C[C@H](O)/C=C/[C@H]2[C@H](O)CC(=O)[C@@H]2CCSCCCC(=O)O)ccc1O | 10.1016/s0960-894x(01)00365-1 | |||
| 118517485 | 142750 | 0 | None | -50 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 396 | 8 | 2 | 3 | 4.2 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2ccc(F)cc2)cc1 | nan | |||
| CHEMBL3892492 | 142750 | 0 | None | -50 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 396 | 8 | 2 | 3 | 4.2 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2ccc(F)cc2)cc1 | nan | |||
| 24952580 | 200562 | 0 | None | -575 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 467 | 6 | 2 | 3 | 6.5 | C[C@H](NC(=O)c1c(Cl)sc(Cl)c1Cc1cccc(Cl)c1)c1ccc(C(=O)O)cc1 | 10.1021/jm901771h | |||
| CHEMBL599052 | 200562 | 0 | None | -575 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 467 | 6 | 2 | 3 | 6.5 | C[C@H](NC(=O)c1c(Cl)sc(Cl)c1Cc1cccc(Cl)c1)c1ccc(C(=O)O)cc1 | 10.1021/jm901771h | |||
| 10452108 | 94008 | 0 | None | -25 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 375 | 7 | 1 | 2 | 4.6 | C/C(=C\C=C\[C@H]1CCC(=O)N1CCc1ccc(C(=O)O)cc1)c1ccccc1 | 10.1016/j.bmcl.2007.05.025 | |||
| CHEMBL248679 | 94008 | 0 | None | -25 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 375 | 7 | 1 | 2 | 4.6 | C/C(=C\C=C\[C@H]1CCC(=O)N1CCc1ccc(C(=O)O)cc1)c1ccccc1 | 10.1016/j.bmcl.2007.05.025 | |||
| 44304388 | 203152 | 0 | None | -151 | 5 | Mouse | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 372 | 13 | 3 | 5 | 3.0 | CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCSCCCC(=O)O | 10.1016/s0960-894x(01)00365-1 | |||
| CHEMBL64187 | 203152 | 0 | None | -151 | 5 | Mouse | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 372 | 13 | 3 | 5 | 3.0 | CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCSCCCC(=O)O | 10.1016/s0960-894x(01)00365-1 | |||
| 11440167 | 84718 | 0 | None | -75 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 371 | 9 | 2 | 3 | 3.4 | O=C(O)c1ccc(CCN2C(=O)CC[C@@H]2/C=C/[C@@H](O)CCC2CCC2)cc1 | 10.1021/jm049290a | |||
| CHEMBL222782 | 84718 | 0 | None | -75 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 371 | 9 | 2 | 3 | 3.4 | O=C(O)c1ccc(CCN2C(=O)CC[C@@H]2/C=C/[C@@H](O)CCC2CCC2)cc1 | 10.1021/jm049290a | |||
| 44444722 | 94256 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 402 | 11 | 2 | 4 | 3.5 | CCCC1(C(O)CCCN2CCC(=O)N2CCc2ccc(C(=O)O)cc2)CCC1 | 10.1016/j.bmcl.2007.09.074 | |||
| CHEMBL250153 | 94256 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 402 | 11 | 2 | 4 | 3.5 | CCCC1(C(O)CCCN2CCC(=O)N2CCc2ccc(C(=O)O)cc2)CCC1 | 10.1016/j.bmcl.2007.09.074 | |||
| 52945294 | 16547 | 0 | None | -95 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 800 | 18 | 2 | 6 | 11.3 | COc1cc(/C=C\Cc2ccccc2/C=C/C(=O)O)ccc1OCc1ccccc1.COc1cc(C/C=C/c2ccccc2/C=C/C(=O)O)ccc1OCc1ccccc1 | 10.1016/j.bmcl.2004.11.051 | |||
| CHEMBL1237317 | 16547 | 0 | None | -95 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 800 | 18 | 2 | 6 | 11.3 | COc1cc(/C=C\Cc2ccccc2/C=C/C(=O)O)ccc1OCc1ccccc1.COc1cc(C/C=C/c2ccccc2/C=C/C(=O)O)ccc1OCc1ccccc1 | 10.1016/j.bmcl.2004.11.051 | |||
| 52945294 | 16547 | 0 | None | -95 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 800 | 18 | 2 | 6 | 11.3 | COc1cc(/C=C\Cc2ccccc2/C=C/C(=O)O)ccc1OCc1ccccc1.COc1cc(C/C=C/c2ccccc2/C=C/C(=O)O)ccc1OCc1ccccc1 | 10.1016/j.bmcl.2006.08.025 | |||
| CHEMBL1237317 | 16547 | 0 | None | -95 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 800 | 18 | 2 | 6 | 11.3 | COc1cc(/C=C\Cc2ccccc2/C=C/C(=O)O)ccc1OCc1ccccc1.COc1cc(C/C=C/c2ccccc2/C=C/C(=O)O)ccc1OCc1ccccc1 | 10.1016/j.bmcl.2006.08.025 | |||
| 10111602 | 83228 | 0 | None | -95 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 400 | 9 | 1 | 3 | 5.6 | COc1cc(/C=C/Cc2ccccc2/C=C/C(=O)O)ccc1OCc1ccccc1 | 10.1016/j.bmcl.2006.08.025 | |||
| CHEMBL218626 | 83228 | 0 | None | -95 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 400 | 9 | 1 | 3 | 5.6 | COc1cc(/C=C/Cc2ccccc2/C=C/C(=O)O)ccc1OCc1ccccc1 | 10.1016/j.bmcl.2006.08.025 | |||
| 22990263 | 16793 | 0 | None | -4 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 292 | 3 | 1 | 1 | 4.8 | O=C(O)/C=C/c1ccccc1-c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(03)00794-7 | |||
| CHEMBL124574 | 16793 | 0 | None | -4 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 292 | 3 | 1 | 1 | 4.8 | O=C(O)/C=C/c1ccccc1-c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(03)00794-7 | |||
| 10410111 | 102841 | 0 | None | -398 | 3 | Mouse | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 424 | 11 | 3 | 6 | 2.7 | Cc1cccc(C[C@H](O)/C=C/[C@H]2[C@H](O)CC(=O)[C@@H]2SCCCSCC(=O)O)c1 | 10.1016/s0960-894x(01)00364-x | |||
| CHEMBL305568 | 102841 | 0 | None | -398 | 3 | Mouse | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 424 | 11 | 3 | 6 | 2.7 | Cc1cccc(C[C@H](O)/C=C/[C@H]2[C@H](O)CC(=O)[C@@H]2SCCCSCC(=O)O)c1 | 10.1016/s0960-894x(01)00364-x | |||
| 44304009 | 100736 | 0 | None | -1479 | 3 | Mouse | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 482 | 15 | 3 | 7 | 3.3 | CCCOCc1cccc(C[C@H](O)/C=C/[C@H]2[C@H](O)CC(=O)[C@@H]2SCCCSCC(=O)O)c1 | 10.1016/s0960-894x(01)00364-x | |||
| CHEMBL292717 | 100736 | 0 | None | -1479 | 3 | Mouse | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 482 | 15 | 3 | 7 | 3.3 | CCCOCc1cccc(C[C@H](O)/C=C/[C@H]2[C@H](O)CC(=O)[C@@H]2SCCCSCC(=O)O)c1 | 10.1016/s0960-894x(01)00364-x | |||
| 11210487 | 64294 | 0 | None | 177 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 356 | 7 | 1 | 2 | 5.5 | O=C(O)/C=C/c1ccccc1/C=C/c1ccccc1OCc1ccccc1 | 10.1016/j.bmcl.2004.11.051 | |||
| CHEMBL181035 | 64294 | 0 | None | 177 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 356 | 7 | 1 | 2 | 5.5 | O=C(O)/C=C/c1ccccc1/C=C/c1ccccc1OCc1ccccc1 | 10.1016/j.bmcl.2004.11.051 | |||
| 16725337 | 149601 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 443 | 12 | 2 | 4 | 6.0 | CCCCCCC(O)c1ccc(N2C(=O)CC[C@@H]2CCCc2ccc(C(=O)O)s2)cc1 | nan | |||
| CHEMBL3947001 | 149601 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 443 | 12 | 2 | 4 | 6.0 | CCCCCCC(O)c1ccc(N2C(=O)CC[C@@H]2CCCc2ccc(C(=O)O)s2)cc1 | nan | |||
| 16725337 | 149601 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 443 | 12 | 2 | 4 | 6.0 | CCCCCCC(O)c1ccc(N2C(=O)CC[C@@H]2CCCc2ccc(C(=O)O)s2)cc1 | nan | |||
| CHEMBL3947001 | 149601 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 443 | 12 | 2 | 4 | 6.0 | CCCCCCC(O)c1ccc(N2C(=O)CC[C@@H]2CCCc2ccc(C(=O)O)s2)cc1 | nan | |||
| 24953625 | 201532 | 0 | None | -323 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 461 | 6 | 2 | 3 | 6.2 | Cc1sc(C)c(C(=O)N[C@@H](C)c2ccc(C(=O)O)cc2)c1Cc1cccc(C(F)(F)F)c1 | 10.1021/jm901771h | |||
| CHEMBL605330 | 201532 | 0 | None | -323 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 461 | 6 | 2 | 3 | 6.2 | Cc1sc(C)c(C(=O)N[C@@H](C)c2ccc(C(=O)O)cc2)c1Cc1cccc(C(F)(F)F)c1 | 10.1021/jm901771h | |||
| 10302378 | 82779 | 0 | None | -6606 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 539 | 9 | 1 | 5 | 6.6 | O=C(/C=C/c1ccccc1Cc1ccc2cc(OCc3ccccc3)ccc2c1)NS(=O)(=O)c1cccs1 | 10.1016/j.bmcl.2006.08.025 | |||
| CHEMBL217991 | 82779 | 0 | None | -6606 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 539 | 9 | 1 | 5 | 6.6 | O=C(/C=C/c1ccccc1Cc1ccc2cc(OCc3ccccc3)ccc2c1)NS(=O)(=O)c1cccs1 | 10.1016/j.bmcl.2006.08.025 | |||
| 22009006 | 141564 | 0 | None | -1584 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 409 | 7 | 1 | 4 | 4.5 | O=C(/C=C/c1ccccc1/C=C/Cc1ccccc1)NS(=O)(=O)c1cccs1 | 10.1016/j.bmcl.2006.08.025 | |||
| CHEMBL384878 | 141564 | 0 | None | -1584 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 409 | 7 | 1 | 4 | 4.5 | O=C(/C=C/c1ccccc1/C=C/Cc1ccccc1)NS(=O)(=O)c1cccs1 | 10.1016/j.bmcl.2006.08.025 | |||
| 9953337 | 141660 | 0 | None | -1584 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 409 | 7 | 1 | 4 | 4.5 | O=C(/C=C/c1ccccc1C/C=C/c1ccccc1)NS(=O)(=O)c1cccs1 | 10.1016/j.bmcl.2006.08.025 | |||
| CHEMBL385396 | 141660 | 0 | None | -1584 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 409 | 7 | 1 | 4 | 4.5 | O=C(/C=C/c1ccccc1C/C=C/c1ccccc1)NS(=O)(=O)c1cccs1 | 10.1016/j.bmcl.2006.08.025 | |||
| 25003075 | 6838 | 18 | None | -28183 | 7 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 478 | 6 | 2 | 3 | 5.8 | O=C(O)c1ccc(C2(NC(=O)c3cccc4ccn(Cc5ccc(C(F)(F)F)cc5)c34)CC2)cc1 | 10.1016/j.bmcl.2010.04.065 | |||
| CHEMBL1084009 | 6838 | 18 | None | -28183 | 7 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 478 | 6 | 2 | 3 | 5.8 | O=C(O)c1ccc(C2(NC(=O)c3cccc4ccn(Cc5ccc(C(F)(F)F)cc5)c34)CC2)cc1 | 10.1016/j.bmcl.2010.04.065 | |||
| 10247632 | 77991 | 0 | None | -1 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 355 | 9 | 1 | 2 | 4.6 | CCCC/C=C(C)/C=C\[C@H]1CCC(=O)N1CCc1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2007.05.025 | |||
| CHEMBL2096894 | 77991 | 0 | None | -1 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 355 | 9 | 1 | 2 | 4.6 | CCCC/C=C(C)/C=C\[C@H]1CCC(=O)N1CCc1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2007.05.025 | |||
| 10178073 | 16559 | 0 | None | -1148 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 384 | 8 | 1 | 2 | 5.9 | Cc1cccc(/C=C/Cc2ccccc2/C=C/C(=O)O)c1OCc1ccccc1 | 10.1016/s0960-894x(03)00794-7 | |||
| CHEMBL123794 | 16559 | 0 | None | -1148 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 384 | 8 | 1 | 2 | 5.9 | Cc1cccc(/C=C/Cc2ccccc2/C=C/C(=O)O)c1OCc1ccccc1 | 10.1016/s0960-894x(03)00794-7 | |||
| 9944231 | 18035 | 0 | None | -10 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 302 | 5 | 1 | 1 | 5.0 | O=C(O)CCc1ccccc1-c1cccc(-c2ccccc2)c1 | 10.1016/s0960-894x(03)00794-7 | |||
| CHEMBL126472 | 18035 | 0 | None | -10 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 302 | 5 | 1 | 1 | 5.0 | O=C(O)CCc1ccccc1-c1cccc(-c2ccccc2)c1 | 10.1016/s0960-894x(03)00794-7 | |||
| 10178073 | 16559 | 0 | None | -1148 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 384 | 8 | 1 | 2 | 5.9 | Cc1cccc(/C=C/Cc2ccccc2/C=C/C(=O)O)c1OCc1ccccc1 | 10.1016/j.bmcl.2004.11.051 | |||
| CHEMBL123794 | 16559 | 0 | None | -1148 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 384 | 8 | 1 | 2 | 5.9 | Cc1cccc(/C=C/Cc2ccccc2/C=C/C(=O)O)c1OCc1ccccc1 | 10.1016/j.bmcl.2004.11.051 | |||
| 12112238 | 118071 | 0 | None | -10 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 406 | 7 | 1 | 2 | 6.7 | O=C(O)/C=C/c1ccccc1-c1cccc(-c2ccccc2OCc2ccccc2)c1 | 10.1016/s0960-894x(03)00794-7 | |||
| CHEMBL340501 | 118071 | 0 | None | -10 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 406 | 7 | 1 | 2 | 6.7 | O=C(O)/C=C/c1ccccc1-c1cccc(-c2ccccc2OCc2ccccc2)c1 | 10.1016/s0960-894x(03)00794-7 | |||
| 44444715 | 94198 | 0 | None | -25 | 2 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 450 | 12 | 2 | 4 | 3.7 | O=C(O)c1ccc(CCN2C(=O)CCN2CCC(O)Cc2cccc(CCC3CC3)c2)cc1 | 10.1016/j.bmcl.2007.09.074 | |||
| CHEMBL249745 | 94198 | 0 | None | -25 | 2 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 450 | 12 | 2 | 4 | 3.7 | O=C(O)c1ccc(CCN2C(=O)CCN2CCC(O)Cc2cccc(CCC3CC3)c2)cc1 | 10.1016/j.bmcl.2007.09.074 | |||
| 57398585 | 69470 | 0 | None | -6 | 2 | Mouse | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 414 | 9 | 2 | 5 | 3.2 | Cc1cccc(C[C@H](O)/C=C/[C@H]2CCC(=O)N2CCCc2nc(C(=O)O)cs2)c1 | 10.1016/j.bmcl.2011.10.109 | |||
| CHEMBL1933721 | 69470 | 0 | None | -6 | 2 | Mouse | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 414 | 9 | 2 | 5 | 3.2 | Cc1cccc(C[C@H](O)/C=C/[C@H]2CCC(=O)N2CCCc2nc(C(=O)O)cs2)c1 | 10.1016/j.bmcl.2011.10.109 | |||
| 57398585 | 69470 | 0 | None | -6 | 2 | Mouse | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 414 | 9 | 2 | 5 | 3.2 | Cc1cccc(C[C@H](O)/C=C/[C@H]2CCC(=O)N2CCCc2nc(C(=O)O)cs2)c1 | 10.1016/j.bmc.2012.02.018 | |||
| CHEMBL1933721 | 69470 | 0 | None | -6 | 2 | Mouse | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 414 | 9 | 2 | 5 | 3.2 | Cc1cccc(C[C@H](O)/C=C/[C@H]2CCC(=O)N2CCCc2nc(C(=O)O)cs2)c1 | 10.1016/j.bmc.2012.02.018 | |||
| 56834112 | 69347 | 0 | None | -1071 | 2 | Mouse | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 421 | 13 | 2 | 5 | 2.9 | COCc1cccc(C[C@H](O)/C=C/[C@H]2CCC(=O)N2CCSCCCC(=O)O)c1 | 10.1016/j.bmc.2011.12.009 | |||
| CHEMBL1929527 | 69347 | 0 | None | -1071 | 2 | Mouse | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 421 | 13 | 2 | 5 | 2.9 | COCc1cccc(C[C@H](O)/C=C/[C@H]2CCC(=O)N2CCSCCCC(=O)O)c1 | 10.1016/j.bmc.2011.12.009 | |||
| 44290271 | 179048 | 0 | None | -204 | 2 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 455 | 11 | 2 | 3 | 5.6 | O=C(O)CCCCCCN1C(=O)CC[C@@H]1/C=C/C(O)c1cccc(-c2cccc(Cl)c2)c1 | 10.1016/j.bmcl.2004.01.063 | |||
| CHEMBL47138 | 179048 | 0 | None | -204 | 2 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 455 | 11 | 2 | 3 | 5.6 | O=C(O)CCCCCCN1C(=O)CC[C@@H]1/C=C/C(O)c1cccc(-c2cccc(Cl)c2)c1 | 10.1016/j.bmcl.2004.01.063 | |||
| 52944193 | 16533 | 0 | None | -63 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 768 | 16 | 2 | 4 | 11.9 | Cc1cccc(/C=C/Cc2ccccc2/C=C/C(=O)O)c1OCc1ccccc1.Cc1cccc(C/C=C/c2ccccc2/C=C/C(=O)O)c1OCc1ccccc1 | 10.1016/j.bmcl.2004.11.051 | |||
| CHEMBL1237295 | 16533 | 0 | None | -63 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 768 | 16 | 2 | 4 | 11.9 | Cc1cccc(/C=C/Cc2ccccc2/C=C/C(=O)O)c1OCc1ccccc1.Cc1cccc(C/C=C/c2ccccc2/C=C/C(=O)O)c1OCc1ccccc1 | 10.1016/j.bmcl.2004.11.051 | |||
| 44419374 | 82995 | 0 | None | -95 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 384 | 8 | 1 | 2 | 5.9 | Cc1ccc(OCc2ccccc2)c(/C=C/Cc2ccccc2/C=C/C(=O)O)c1 | 10.1016/j.bmcl.2006.08.025 | |||
| CHEMBL218123 | 82995 | 0 | None | -95 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 384 | 8 | 1 | 2 | 5.9 | Cc1ccc(OCc2ccccc2)c(/C=C/Cc2ccccc2/C=C/C(=O)O)c1 | 10.1016/j.bmcl.2006.08.025 | |||
| 44419379 | 137863 | 0 | None | -95 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 384 | 8 | 1 | 2 | 5.9 | Cc1ccc(OCc2ccccc2)c(C/C=C/c2ccccc2/C=C/C(=O)O)c1 | 10.1016/j.bmcl.2006.08.025 | |||
| CHEMBL376053 | 137863 | 0 | None | -95 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 384 | 8 | 1 | 2 | 5.9 | Cc1ccc(OCc2ccccc2)c(C/C=C/c2ccccc2/C=C/C(=O)O)c1 | 10.1016/j.bmcl.2006.08.025 | |||
| 44320388 | 206408 | 0 | None | -56 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 536 | 11 | 2 | 6 | 5.8 | Cc1cccc(OCCCOc2ccc(-c3ccccc3CNC(=O)NS(=O)(=O)c3cccs3)cc2)c1 | 10.1016/s0960-894x(02)00518-8 | |||
| CHEMBL87797 | 206408 | 0 | None | -56 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 536 | 11 | 2 | 6 | 5.8 | Cc1cccc(OCCCOc2ccc(-c3ccccc3CNC(=O)NS(=O)(=O)c3cccs3)cc2)c1 | 10.1016/s0960-894x(02)00518-8 | |||
| 9954562 | 84137 | 0 | None | -478 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 433 | 6 | 1 | 4 | 5.0 | O=C(/C=C/c1ccccc1Cc1ccc2ccccc2c1)NS(=O)(=O)c1cccs1 | 10.1016/j.bmcl.2006.08.025 | |||
| CHEMBL220802 | 84137 | 0 | None | -478 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 433 | 6 | 1 | 4 | 5.0 | O=C(/C=C/c1ccccc1Cc1ccc2ccccc2c1)NS(=O)(=O)c1cccs1 | 10.1016/j.bmcl.2006.08.025 | |||
| 138 | 3081 | 88 | None | -19 | 18 | Mouse | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | 10.1016/s0960-894x(01)00359-6 | |||
| 1882 | 3081 | 88 | None | -19 | 18 | Mouse | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | 10.1016/s0960-894x(01)00359-6 | |||
| 5280723 | 3081 | 88 | None | -19 | 18 | Mouse | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | 10.1016/s0960-894x(01)00359-6 | |||
| CHEMBL495 | 3081 | 88 | None | -19 | 18 | Mouse | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | 10.1016/s0960-894x(01)00359-6 | |||
| DB00770 | 3081 | 88 | None | -19 | 18 | Mouse | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | 10.1016/s0960-894x(01)00359-6 | |||
| 52945423 | 16541 | 0 | None | -33 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 824 | 18 | 2 | 6 | 11.6 | CC(=O)c1ccc(OCc2ccccc2)c(/C=C/Cc2ccccc2/C=C/C(=O)O)c1.CC(=O)c1ccc(OCc2ccccc2)c(C/C=C/c2ccccc2/C=C/C(=O)O)c1 | 10.1016/j.bmcl.2004.11.051 | |||
| CHEMBL1237303 | 16541 | 0 | None | -33 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 824 | 18 | 2 | 6 | 11.6 | CC(=O)c1ccc(OCc2ccccc2)c(/C=C/Cc2ccccc2/C=C/C(=O)O)c1.CC(=O)c1ccc(OCc2ccccc2)c(C/C=C/c2ccccc2/C=C/C(=O)O)c1 | 10.1016/j.bmcl.2004.11.051 | |||
| 22009008 | 83157 | 0 | None | -5495 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 545 | 11 | 1 | 6 | 6.1 | COc1cc(/C=C/Cc2ccccc2/C=C/C(=O)NS(=O)(=O)c2cccs2)ccc1OCc1ccccc1 | 10.1016/j.bmcl.2006.08.025 | |||
| CHEMBL218280 | 83157 | 0 | None | -5495 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 545 | 11 | 1 | 6 | 6.1 | COc1cc(/C=C/Cc2ccccc2/C=C/C(=O)NS(=O)(=O)c2cccs2)ccc1OCc1ccccc1 | 10.1016/j.bmcl.2006.08.025 | |||
| 22009004 | 141751 | 0 | None | -2884 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 545 | 11 | 1 | 6 | 6.1 | COc1cc(C/C=C/c2ccccc2/C=C/C(=O)NS(=O)(=O)c2cccs2)ccc1OCc1ccccc1 | 10.1016/j.bmcl.2006.08.025 | |||
| CHEMBL385955 | 141751 | 0 | None | -2884 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 545 | 11 | 1 | 6 | 6.1 | COc1cc(C/C=C/c2ccccc2/C=C/C(=O)NS(=O)(=O)c2cccs2)ccc1OCc1ccccc1 | 10.1016/j.bmcl.2006.08.025 | |||
| 132836 | 59695 | 23 | None | 1 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 388 | 13 | 2 | 3 | 5.8 | CCCCCC(O)c1ccc([C@H]2CCC(=O)[C@@H]2CCCCCCC(=O)O)cc1 | nan | |||
| CHEMBL1722929 | 59695 | 23 | None | 1 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 388 | 13 | 2 | 3 | 5.8 | CCCCCC(O)c1ccc([C@H]2CCC(=O)[C@@H]2CCCCCCC(=O)O)cc1 | nan | |||
| 44442332 | 94527 | 0 | None | -3 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 341 | 9 | 1 | 2 | 4.2 | CCCC/C=C\C=C\[C@H]1CCC(=O)N1CCc1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2007.05.025 | |||
| CHEMBL251709 | 94527 | 0 | None | -3 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 341 | 9 | 1 | 2 | 4.2 | CCCC/C=C\C=C\[C@H]1CCC(=O)N1CCc1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2007.05.025 | |||
| 44393680 | 66345 | 0 | None | -4 | 2 | Mouse | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 367 | 7 | 1 | 5 | 4.2 | CCCCOc1ccc(C(=O)n2cc(C(=O)O)c3cc(OC)ccc32)cc1 | 10.1016/j.bmcl.2004.06.006 | |||
| CHEMBL185087 | 66345 | 0 | None | -4 | 2 | Mouse | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 367 | 7 | 1 | 5 | 4.2 | CCCCOc1ccc(C(=O)n2cc(C(=O)O)c3cc(OC)ccc32)cc1 | 10.1016/j.bmcl.2004.06.006 | |||
| 84973026 | 129208 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 441 | 7 | 4 | 4 | 4.7 | COc1ccc(-c2cc(-c3ccccc3)[nH]c2C(=O)Nc2cccc(CC(=O)NO)c2)cc1 | nan | |||
| CHEMBL3670664 | 129208 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 441 | 7 | 4 | 4 | 4.7 | COc1ccc(-c2cc(-c3ccccc3)[nH]c2C(=O)Nc2cccc(CC(=O)NO)c2)cc1 | nan | |||
| 57894063 | 75165 | 0 | None | -5 | 3 | Mouse | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 524 | 11 | 2 | 7 | 4.8 | COc1ccc(-c2cccc(C[C@H](O)/C=C/[C@H]3CCC(=O)N3CCSc3nc(C(=O)O)cs3)c2)cc1 | 10.1016/j.bmc.2012.04.008 | |||
| CHEMBL2036319 | 75165 | 0 | None | -5 | 3 | Mouse | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 524 | 11 | 2 | 7 | 4.8 | COc1ccc(-c2cccc(C[C@H](O)/C=C/[C@H]3CCC(=O)N3CCSc3nc(C(=O)O)cs3)c2)cc1 | 10.1016/j.bmc.2012.04.008 | |||
| 56835070 | 69471 | 0 | None | -22 | 3 | Mouse | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 432 | 9 | 2 | 6 | 3.4 | Cc1cccc(C[C@H](O)/C=C/[C@H]2CCC(=O)N2CCSc2nc(C(=O)O)cs2)c1 | 10.1016/j.bmcl.2011.10.109 | |||
| CHEMBL1933722 | 69471 | 0 | None | -22 | 3 | Mouse | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 432 | 9 | 2 | 6 | 3.4 | Cc1cccc(C[C@H](O)/C=C/[C@H]2CCC(=O)N2CCSc2nc(C(=O)O)cs2)c1 | 10.1016/j.bmcl.2011.10.109 | |||
| 56835070 | 69471 | 0 | None | -22 | 3 | Mouse | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 432 | 9 | 2 | 6 | 3.4 | Cc1cccc(C[C@H](O)/C=C/[C@H]2CCC(=O)N2CCSc2nc(C(=O)O)cs2)c1 | 10.1016/j.bmc.2012.02.018 | |||
| CHEMBL1933722 | 69471 | 0 | None | -22 | 3 | Mouse | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 432 | 9 | 2 | 6 | 3.4 | Cc1cccc(C[C@H](O)/C=C/[C@H]2CCC(=O)N2CCSc2nc(C(=O)O)cs2)c1 | 10.1016/j.bmc.2012.02.018 | |||
| 56835070 | 69471 | 0 | None | -22 | 3 | Mouse | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 432 | 9 | 2 | 6 | 3.4 | Cc1cccc(C[C@H](O)/C=C/[C@H]2CCC(=O)N2CCSc2nc(C(=O)O)cs2)c1 | 10.1016/j.bmc.2012.04.008 | |||
| CHEMBL1933722 | 69471 | 0 | None | -22 | 3 | Mouse | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 432 | 9 | 2 | 6 | 3.4 | Cc1cccc(C[C@H](O)/C=C/[C@H]2CCC(=O)N2CCSc2nc(C(=O)O)cs2)c1 | 10.1016/j.bmc.2012.04.008 | |||
| 84973025 | 129205 | 5 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 417 | 6 | 5 | 5 | 3.7 | O=C(NO)c1ccc(CNC(=O)c2[nH]c(-c3ccc(O)cc3)cc2-c2ccoc2)cc1 | nan | |||
| CHEMBL3670661 | 129205 | 5 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 417 | 6 | 5 | 5 | 3.7 | O=C(NO)c1ccc(CNC(=O)c2[nH]c(-c3ccc(O)cc3)cc2-c2ccoc2)cc1 | nan | |||
| 21974374 | 127247 | 0 | None | -1 | 5 | Mouse | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 455 | 6 | 1 | 5 | 5.0 | Cc1cc2c(CC(=O)O)cccc2n1C(=O)c1ccc(OCC2CCc3ccccc3O2)cc1 | 10.1016/j.bmcl.2004.07.039 | |||
| CHEMBL365829 | 127247 | 0 | None | -1 | 5 | Mouse | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 455 | 6 | 1 | 5 | 5.0 | Cc1cc2c(CC(=O)O)cccc2n1C(=O)c1ccc(OCC2CCc3ccccc3O2)cc1 | 10.1016/j.bmcl.2004.07.039 | |||
| 44304334 | 201576 | 0 | None | -45 | 5 | Mouse | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 372 | 13 | 3 | 5 | 3.0 | CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CSCCCCC(=O)O | 10.1016/s0960-894x(01)00365-1 | |||
| CHEMBL60555 | 201576 | 0 | None | -45 | 5 | Mouse | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 372 | 13 | 3 | 5 | 3.0 | CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CSCCCCC(=O)O | 10.1016/s0960-894x(01)00365-1 | |||
| 57396659 | 71301 | 0 | None | -114 | 3 | Mouse | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 431 | 9 | 2 | 5 | 4.0 | Cc1cccc(C[C@H](O)/C=C/[C@H]2CCC(=O)N2CCSc2ccc(C(=O)O)s2)c1 | 10.1016/j.bmc.2012.02.018 | |||
| CHEMBL1957430 | 71301 | 0 | None | -114 | 3 | Mouse | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 431 | 9 | 2 | 5 | 4.0 | Cc1cccc(C[C@H](O)/C=C/[C@H]2CCC(=O)N2CCSc2ccc(C(=O)O)s2)c1 | 10.1016/j.bmc.2012.02.018 | |||
| 44304199 | 100817 | 0 | None | - | 1 | Mouse | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 392 | 12 | 3 | 4 | 4.0 | CCCC1([C@@H](O)C/C=C/C2[C@H](O)CC(=O)[C@@H]2C/C=C/CCCC(=O)O)CCC1 | 10.1016/s0960-894x(01)00359-6 | |||
| CHEMBL293242 | 100817 | 0 | None | - | 1 | Mouse | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 392 | 12 | 3 | 4 | 4.0 | CCCC1([C@@H](O)C/C=C/C2[C@H](O)CC(=O)[C@@H]2C/C=C/CCCC(=O)O)CCC1 | 10.1016/s0960-894x(01)00359-6 | |||
| 44444719 | 94226 | 0 | None | -67 | 2 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 382 | 9 | 2 | 4 | 2.4 | O=C(O)c1ccc(CCN2C(=O)CCN2CC[C@@H](O)Cc2ccccc2)cc1 | 10.1016/j.bmcl.2007.09.074 | |||
| CHEMBL249952 | 94226 | 0 | None | -67 | 2 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 382 | 9 | 2 | 4 | 2.4 | O=C(O)c1ccc(CCN2C(=O)CCN2CC[C@@H](O)Cc2ccccc2)cc1 | 10.1016/j.bmcl.2007.09.074 | |||
| 10273914 | 199672 | 0 | None | -70 | 3 | Mouse | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 424 | 9 | 1 | 3 | 6.1 | O=C(O)/C=C/c1ccc(COc2ccccc2)cc1OCCc1ccc2ccccc2c1 | 10.1016/j.bmc.2009.08.007 | |||
| CHEMBL593041 | 199672 | 0 | None | -70 | 3 | Mouse | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 424 | 9 | 1 | 3 | 6.1 | O=C(O)/C=C/c1ccc(COc2ccccc2)cc1OCCc1ccc2ccccc2c1 | 10.1016/j.bmc.2009.08.007 | |||
| 46230201 | 200616 | 0 | None | -436 | 3 | Mouse | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 453 | 9 | 2 | 3 | 5.9 | C[C@H](NC(=O)c1cc(COc2ccccc2)ccc1CCC(=O)O)c1cccc2ccccc12 | 10.1016/j.bmc.2009.11.023 | |||
| CHEMBL599355 | 200616 | 0 | None | -436 | 3 | Mouse | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 453 | 9 | 2 | 3 | 5.9 | C[C@H](NC(=O)c1cc(COc2ccccc2)ccc1CCC(=O)O)c1cccc2ccccc12 | 10.1016/j.bmc.2009.11.023 | |||
| 118517485 | 142750 | 0 | None | -50 | 2 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 396 | 8 | 2 | 3 | 4.2 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2ccc(F)cc2)cc1 | nan | |||
| CHEMBL3892492 | 142750 | 0 | None | -50 | 2 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 396 | 8 | 2 | 3 | 4.2 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2ccc(F)cc2)cc1 | nan | |||
| 118517490 | 153155 | 0 | None | -125 | 2 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 414 | 8 | 2 | 3 | 4.4 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2ccc(F)c(F)c2)cc1 | nan | |||
| CHEMBL3976710 | 153155 | 0 | None | -125 | 2 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 414 | 8 | 2 | 3 | 4.4 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2ccc(F)c(F)c2)cc1 | nan | |||
| 9865111 | 63865 | 0 | None | -14 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 388 | 10 | 1 | 2 | 5.8 | Cc1cccc(CCCc2ccccc2CCC(=O)O)c1OCc1ccccc1 | 10.1016/j.bmcl.2004.11.051 | |||
| CHEMBL180343 | 63865 | 0 | None | -14 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 388 | 10 | 1 | 2 | 5.8 | Cc1cccc(CCCc2ccccc2CCC(=O)O)c1OCc1ccccc1 | 10.1016/j.bmcl.2004.11.051 | |||
| 44419350 | 84142 | 0 | None | -14 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 388 | 10 | 1 | 2 | 5.8 | Cc1ccc(OCc2ccccc2)c(CCCc2ccccc2CCC(=O)O)c1 | 10.1016/j.bmcl.2006.08.025 | |||
| CHEMBL220820 | 84142 | 0 | None | -14 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 388 | 10 | 1 | 2 | 5.8 | Cc1ccc(OCc2ccccc2)c(CCCc2ccccc2CCC(=O)O)c1 | 10.1016/j.bmcl.2006.08.025 | |||
| 118517359 | 144396 | 0 | None | -114 | 2 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 456 | 8 | 2 | 3 | 4.8 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2cccc(Br)c2)cc1 | nan | |||
| CHEMBL3906016 | 144396 | 0 | None | -114 | 2 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 456 | 8 | 2 | 3 | 4.8 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2cccc(Br)c2)cc1 | nan | |||
| 10116114 | 125886 | 0 | None | -28 | 8 | Mouse | 7.0 | pKi | = | 7 | Binding | ChEMBL | 470 | 6 | 1 | 6 | 4.5 | Cc1cc2c(CC(=O)O)cccc2n1C(=O)c1ccc(OC[C@@H]2CN(C)c3ccccc3O2)cc1 | 10.1016/j.bmc.2011.06.014 | |||
| CHEMBL364841 | 125886 | 0 | None | -28 | 8 | Mouse | 7.0 | pKi | = | 7 | Binding | ChEMBL | 470 | 6 | 1 | 6 | 4.5 | Cc1cc2c(CC(=O)O)cccc2n1C(=O)c1ccc(OC[C@@H]2CN(C)c3ccccc3O2)cc1 | 10.1016/j.bmc.2011.06.014 | |||
| 10116114 | 125886 | 0 | None | -28 | 8 | Mouse | 7.0 | pKi | = | 7 | Binding | ChEMBL | 470 | 6 | 1 | 6 | 4.5 | Cc1cc2c(CC(=O)O)cccc2n1C(=O)c1ccc(OC[C@@H]2CN(C)c3ccccc3O2)cc1 | 10.1016/j.bmc.2011.08.007 | |||
| CHEMBL364841 | 125886 | 0 | None | -28 | 8 | Mouse | 7.0 | pKi | = | 7 | Binding | ChEMBL | 470 | 6 | 1 | 6 | 4.5 | Cc1cc2c(CC(=O)O)cccc2n1C(=O)c1ccc(OC[C@@H]2CN(C)c3ccccc3O2)cc1 | 10.1016/j.bmc.2011.08.007 | |||
| 44390806 | 64078 | 0 | None | -24 | 3 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 386 | 8 | 1 | 2 | 5.9 | Cc1cccc(C2CC2c2ccccc2CCC(=O)O)c1OCc1ccccc1 | 10.1016/j.bmcl.2004.11.051 | |||
| CHEMBL180752 | 64078 | 0 | None | -24 | 3 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 386 | 8 | 1 | 2 | 5.9 | Cc1cccc(C2CC2c2ccccc2CCC(=O)O)c1OCc1ccccc1 | 10.1016/j.bmcl.2004.11.051 | |||
| 1883 | 3082 | 75 | None | -6 | 24 | Human | 7.8 | pKd | = | 7.8 | Binding | Guide to Pharmacology | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10634944 | |||
| 1883 | 3082 | 75 | None | -6 | 24 | Human | 7.8 | pKd | = | 7.8 | Binding | Guide to Pharmacology | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 16604093 | |||
| 1916 | 3082 | 75 | None | -6 | 24 | Human | 7.8 | pKd | = | 7.8 | Binding | Guide to Pharmacology | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10634944 | |||
| 1916 | 3082 | 75 | None | -6 | 24 | Human | 7.8 | pKd | = | 7.8 | Binding | Guide to Pharmacology | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 16604093 | |||
| 5280360 | 3082 | 75 | None | -6 | 24 | Human | 7.8 | pKd | = | 7.8 | Binding | Guide to Pharmacology | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10634944 | |||
| 5280360 | 3082 | 75 | None | -6 | 24 | Human | 7.8 | pKd | = | 7.8 | Binding | Guide to Pharmacology | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 16604093 | |||
| 913 | 3082 | 75 | None | -6 | 24 | Human | 7.8 | pKd | = | 7.8 | Binding | Guide to Pharmacology | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10634944 | |||
| 913 | 3082 | 75 | None | -6 | 24 | Human | 7.8 | pKd | = | 7.8 | Binding | Guide to Pharmacology | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 16604093 | |||
| CHEMBL548 | 3082 | 75 | None | -6 | 24 | Human | 7.8 | pKd | = | 7.8 | Binding | Guide to Pharmacology | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10634944 | |||
| CHEMBL548 | 3082 | 75 | None | -6 | 24 | Human | 7.8 | pKd | = | 7.8 | Binding | Guide to Pharmacology | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 16604093 | |||
| DB00917 | 3082 | 75 | None | -6 | 24 | Human | 7.8 | pKd | = | 7.8 | Binding | Guide to Pharmacology | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10634944 | |||
| DB00917 | 3082 | 75 | None | -6 | 24 | Human | 7.8 | pKd | = | 7.8 | Binding | Guide to Pharmacology | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 16604093 | |||
| 1883 | 3082 | 75 | None | -15 | 24 | Mouse | 7.7 | pKd | None | 7.7 | Binding | Guide to Pharmacology | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 14699136 | |||
| 1916 | 3082 | 75 | None | -15 | 24 | Mouse | 7.7 | pKd | None | 7.7 | Binding | Guide to Pharmacology | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 14699136 | |||
| 5280360 | 3082 | 75 | None | -15 | 24 | Mouse | 7.7 | pKd | None | 7.7 | Binding | Guide to Pharmacology | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 14699136 | |||
| 913 | 3082 | 75 | None | -15 | 24 | Mouse | 7.7 | pKd | None | 7.7 | Binding | Guide to Pharmacology | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 14699136 | |||
| CHEMBL548 | 3082 | 75 | None | -15 | 24 | Mouse | 7.7 | pKd | None | 7.7 | Binding | Guide to Pharmacology | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 14699136 | |||
| DB00917 | 3082 | 75 | None | -15 | 24 | Mouse | 7.7 | pKd | None | 7.7 | Binding | Guide to Pharmacology | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 14699136 | |||
| 1883 | 3082 | 75 | None | -7 | 24 | Rat | 8.1 | pKd | None | 8.1 | Binding | Guide to Pharmacology | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 9440134 | |||
| 1883 | 3082 | 75 | None | -7 | 24 | Rat | 8.1 | pKd | None | 8.1 | Binding | Guide to Pharmacology | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 9537820 | |||
| 1916 | 3082 | 75 | None | -7 | 24 | Rat | 8.1 | pKd | None | 8.1 | Binding | Guide to Pharmacology | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 9440134 | |||
| 1916 | 3082 | 75 | None | -7 | 24 | Rat | 8.1 | pKd | None | 8.1 | Binding | Guide to Pharmacology | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 9537820 | |||
| 5280360 | 3082 | 75 | None | -7 | 24 | Rat | 8.1 | pKd | None | 8.1 | Binding | Guide to Pharmacology | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 9440134 | |||
| 5280360 | 3082 | 75 | None | -7 | 24 | Rat | 8.1 | pKd | None | 8.1 | Binding | Guide to Pharmacology | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 9537820 | |||
| 913 | 3082 | 75 | None | -7 | 24 | Rat | 8.1 | pKd | None | 8.1 | Binding | Guide to Pharmacology | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 9440134 | |||
| 913 | 3082 | 75 | None | -7 | 24 | Rat | 8.1 | pKd | None | 8.1 | Binding | Guide to Pharmacology | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 9537820 | |||
| CHEMBL548 | 3082 | 75 | None | -7 | 24 | Rat | 8.1 | pKd | None | 8.1 | Binding | Guide to Pharmacology | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 9440134 | |||
| CHEMBL548 | 3082 | 75 | None | -7 | 24 | Rat | 8.1 | pKd | None | 8.1 | Binding | Guide to Pharmacology | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 9537820 | |||
| DB00917 | 3082 | 75 | None | -7 | 24 | Rat | 8.1 | pKd | None | 8.1 | Binding | Guide to Pharmacology | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 9440134 | |||
| DB00917 | 3082 | 75 | None | -7 | 24 | Rat | 8.1 | pKd | None | 8.1 | Binding | Guide to Pharmacology | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 9537820 | |||
| 138 | 3081 | 88 | 3H-PGE2 | -19 | 18 | Mouse | 8.0 | pKi | = | 8 | Binding | PDSP KiDatabase | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | None | |||
| 1882 | 3081 | 88 | 3H-PGE2 | -19 | 18 | Mouse | 8.0 | pKi | = | 8 | Binding | PDSP KiDatabase | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | None | |||
| 5280723 | 3081 | 88 | 3H-PGE2 | -19 | 18 | Mouse | 8.0 | pKi | = | 8 | Binding | PDSP KiDatabase | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | None | |||
| CHEMBL495 | 3081 | 88 | 3H-PGE2 | -19 | 18 | Mouse | 8.0 | pKi | = | 8 | Binding | PDSP KiDatabase | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | None | |||
| DB00770 | 3081 | 88 | 3H-PGE2 | -19 | 18 | Mouse | 8.0 | pKi | = | 8 | Binding | PDSP KiDatabase | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | None | |||
| None | 216046 | 0 | 3H-PGE2 | -66 | 3 | Mouse | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 350 | 11 | 3 | 3 | 4.1 | CCCCCC(C=CC1C(CC2C1CC(=C2)CCCCC(=O)O)O)O | None | |||
| 5090 | 15561 | 106 | Functional | -1348 | 30 | Dog | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 314 | 3 | 0 | 4 | 2.6 | CS(=O)(=O)c1ccc(C2=C(c3ccccc3)C(=O)OC2)cc1 | None | |||
| 5090 | 15561 | 106 | Functional | -35 | 30 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 314 | 3 | 0 | 4 | 2.6 | CS(=O)(=O)c1ccc(C2=C(c3ccccc3)C(=O)OC2)cc1 | None | |||
| CHEMBL122 | 15561 | 106 | Functional | -1348 | 30 | Dog | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 314 | 3 | 0 | 4 | 2.6 | CS(=O)(=O)c1ccc(C2=C(c3ccccc3)C(=O)OC2)cc1 | None | |||
| CHEMBL122 | 15561 | 106 | Functional | -35 | 30 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 314 | 3 | 0 | 4 | 2.6 | CS(=O)(=O)c1ccc(C2=C(c3ccccc3)C(=O)OC2)cc1 | None | |||
| 5311035 | 97803 | 29 | 3H-PGE2 | 4 | 9 | Mouse | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 408 | 13 | 2 | 5 | 4.3 | CCCC1([C@H](O)C/C=C/[C@H]2[C@H](O)CC(=O)[C@@H]2CCCCCCC(=O)OC)CCC1 | None | |||
| CHEMBL271896 | 97803 | 29 | 3H-PGE2 | 4 | 9 | Mouse | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 408 | 13 | 2 | 5 | 4.3 | CCCC1([C@H](O)C/C=C/[C@H]2[C@H](O)CC(=O)[C@@H]2CCCCCCC(=O)OC)CCC1 | None | |||
| 1883 | 3082 | 75 | 3H-PGE2 | -15 | 24 | Mouse | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | None | |||
| 1916 | 3082 | 75 | 3H-PGE2 | -15 | 24 | Mouse | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | None | |||
| 5280360 | 3082 | 75 | 3H-PGE2 | -15 | 24 | Mouse | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | None | |||
| 913 | 3082 | 75 | 3H-PGE2 | -15 | 24 | Mouse | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | None | |||
| CHEMBL548 | 3082 | 75 | 3H-PGE2 | -15 | 24 | Mouse | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | None | |||
| DB00917 | 3082 | 75 | 3H-PGE2 | -15 | 24 | Mouse | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | None | |||
| 1917 | 927 | 0 | 3H-PGE2 | -22 | 9 | Mouse | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 374 | 6 | 3 | 4 | 2.2 | CCC#CC[C@@H]([C@@H](C#C[C@H]1[C@H](O)C[C@H]2[C@@H]1C/C(=C/COCC(=O)O)/C2)O)C | None | |||
| 5311044 | 927 | 0 | 3H-PGE2 | -22 | 9 | Mouse | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 374 | 6 | 3 | 4 | 2.2 | CCC#CC[C@@H]([C@@H](C#C[C@H]1[C@H](O)C[C@H]2[C@@H]1C/C(=C/COCC(=O)O)/C2)O)C | None | |||
| 631 | 927 | 0 | 3H-PGE2 | -22 | 9 | Mouse | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 374 | 6 | 3 | 4 | 2.2 | CCC#CC[C@@H]([C@@H](C#C[C@H]1[C@H](O)C[C@H]2[C@@H]1C/C(=C/COCC(=O)O)/C2)O)C | None | |||
| CHEMBL160629 | 927 | 0 | 3H-PGE2 | -22 | 9 | Mouse | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 374 | 6 | 3 | 4 | 2.2 | CCC#CC[C@@H]([C@@H](C#C[C@H]1[C@H](O)C[C@H]2[C@@H]1C/C(=C/COCC(=O)O)/C2)O)C | None | |||
| 89077401 | 216044 | 0 | 3H-PGE2 | -144 | 12 | Mouse | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 360 | 8 | 3 | 3 | 3.5 | CC#CCC(C)C(C=CC1C(CC2C1CC(=CCCCC(=O)O)C2)O)O | None | |||
| 133126726 | 216045 | 0 | 3H-PGE2 | -151 | 14 | Mouse | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 350 | 10 | 3 | 3 | 4.1 | CCCCCC(C=CC1C(CC2C1CC(=CCCCC(=O)O)C2)O)O | None | |||
| 24868263 | 216045 | 0 | 3H-PGE2 | -151 | 14 | Mouse | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 350 | 10 | 3 | 3 | 4.1 | CCCCCC(C=CC1C(CC2C1CC(=CCCCC(=O)O)C2)O)O | None | |||
| 1440 | 2027 | 119 | Functional | -9 | 6 | Rat | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 357 | 4 | 1 | 4 | 3.9 | COc1ccc2c(c1)c(CC(=O)O)c(n2C(=O)c1ccc(cc1)Cl)C | None | |||
| 1909 | 2027 | 119 | Functional | -9 | 6 | Rat | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 357 | 4 | 1 | 4 | 3.9 | COc1ccc2c(c1)c(CC(=O)O)c(n2C(=O)c1ccc(cc1)Cl)C | None | |||
| 3715 | 2027 | 119 | Functional | -9 | 6 | Rat | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 357 | 4 | 1 | 4 | 3.9 | COc1ccc2c(c1)c(CC(=O)O)c(n2C(=O)c1ccc(cc1)Cl)C | None | |||
| CHEMBL6 | 2027 | 119 | Functional | -9 | 6 | Rat | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 357 | 4 | 1 | 4 | 3.9 | COc1ccc2c(c1)c(CC(=O)O)c(n2C(=O)c1ccc(cc1)Cl)C | None | |||
| DB00328 | 2027 | 119 | Functional | -9 | 6 | Rat | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 357 | 4 | 1 | 4 | 3.9 | COc1ccc2c(c1)c(CC(=O)O)c(n2C(=O)c1ccc(cc1)Cl)C | None | |||
| None | 216043 | 0 | 3H-PGE2 | -9 | 5 | Mouse | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 366 | 12 | 2 | 3 | 5.2 | CCCCCC(C=CC1CC2CC(C1CC=CCCCC(=O)O)S2)O | None | |||
| None | 216049 | 0 | 3H-PGE2 | -2 | 3 | Mouse | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 512 | 11 | 2 | 4 | 4.6 | C1CC2C(C(C1O2)CC=CCCCC(=O)O)C=CC(COC3=CC=C(C=C3)I)O | None | |||
| 1928 | 317 | 0 | 3H-PGE2 | -3 | 3 | Mouse | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 388 | 13 | 2 | 3 | 5.8 | CCCCCC(c1ccc(cc1)C1CCC(=O)C1CCCCCCC(=O)O)O | None | |||
| 5310998 | 317 | 0 | 3H-PGE2 | -3 | 3 | Mouse | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 388 | 13 | 2 | 3 | 5.8 | CCCCCC(c1ccc(cc1)C1CCC(=O)C1CCCCCCC(=O)O)O | None | |||
| 1817 | 2542 | 68 | 3H-PGE2 | -6 | 12 | Mouse | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 382 | 13 | 2 | 5 | 4.0 | CCCCC(C/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)OC)(O)C | None | |||
| 1936 | 2542 | 68 | 3H-PGE2 | -6 | 12 | Mouse | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 382 | 13 | 2 | 5 | 4.0 | CCCCC(C/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)OC)(O)C | None | |||
| 5282381 | 2542 | 68 | 3H-PGE2 | -6 | 12 | Mouse | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 382 | 13 | 2 | 5 | 4.0 | CCCCC(C/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)OC)(O)C | None | |||
| CHEMBL606 | 2542 | 68 | 3H-PGE2 | -6 | 12 | Mouse | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 382 | 13 | 2 | 5 | 4.0 | CCCCC(C/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)OC)(O)C | None | |||
| DB00929 | 2542 | 68 | 3H-PGE2 | -6 | 12 | Mouse | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 382 | 13 | 2 | 5 | 4.0 | CCCCC(C/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)OC)(O)C | None | |||
| 1440 | 2027 | 119 | Functional | -38 | 6 | Dog | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 357 | 4 | 1 | 4 | 3.9 | COc1ccc2c(c1)c(CC(=O)O)c(n2C(=O)c1ccc(cc1)Cl)C | None | |||
| 1440 | 2027 | 119 | Functional | -9 | 6 | Rat | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 357 | 4 | 1 | 4 | 3.9 | COc1ccc2c(c1)c(CC(=O)O)c(n2C(=O)c1ccc(cc1)Cl)C | None | |||
| 1909 | 2027 | 119 | Functional | -38 | 6 | Dog | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 357 | 4 | 1 | 4 | 3.9 | COc1ccc2c(c1)c(CC(=O)O)c(n2C(=O)c1ccc(cc1)Cl)C | None | |||
| 1909 | 2027 | 119 | Functional | -9 | 6 | Rat | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 357 | 4 | 1 | 4 | 3.9 | COc1ccc2c(c1)c(CC(=O)O)c(n2C(=O)c1ccc(cc1)Cl)C | None | |||
| 3715 | 2027 | 119 | Functional | -38 | 6 | Dog | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 357 | 4 | 1 | 4 | 3.9 | COc1ccc2c(c1)c(CC(=O)O)c(n2C(=O)c1ccc(cc1)Cl)C | None | |||
| 3715 | 2027 | 119 | Functional | -9 | 6 | Rat | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 357 | 4 | 1 | 4 | 3.9 | COc1ccc2c(c1)c(CC(=O)O)c(n2C(=O)c1ccc(cc1)Cl)C | None | |||
| CHEMBL6 | 2027 | 119 | Functional | -38 | 6 | Dog | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 357 | 4 | 1 | 4 | 3.9 | COc1ccc2c(c1)c(CC(=O)O)c(n2C(=O)c1ccc(cc1)Cl)C | None | |||
| CHEMBL6 | 2027 | 119 | Functional | -9 | 6 | Rat | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 357 | 4 | 1 | 4 | 3.9 | COc1ccc2c(c1)c(CC(=O)O)c(n2C(=O)c1ccc(cc1)Cl)C | None | |||
| DB00328 | 2027 | 119 | Functional | -38 | 6 | Dog | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 357 | 4 | 1 | 4 | 3.9 | COc1ccc2c(c1)c(CC(=O)O)c(n2C(=O)c1ccc(cc1)Cl)C | None | |||
| DB00328 | 2027 | 119 | Functional | -9 | 6 | Rat | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 357 | 4 | 1 | 4 | 3.9 | COc1ccc2c(c1)c(CC(=O)O)c(n2C(=O)c1ccc(cc1)Cl)C | None | |||
| 119461 | 320 | 72 | 3H-PGE2 | 1 | 10 | Mouse | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 298 | 3 | 1 | 4 | 3.4 | CC(Oc1ccc2c(c1)oc1c(c2=O)cc(cc1)C(=O)O)C | None | |||
| 1896 | 320 | 72 | 3H-PGE2 | 1 | 10 | Mouse | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 298 | 3 | 1 | 4 | 3.4 | CC(Oc1ccc2c(c1)oc1c(c2=O)cc(cc1)C(=O)O)C | None | |||
| CHEMBL1317823 | 320 | 72 | 3H-PGE2 | 1 | 10 | Mouse | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 298 | 3 | 1 | 4 | 3.4 | CC(Oc1ccc2c(c1)oc1c(c2=O)cc(cc1)C(=O)O)C | None | |||
| 5090 | 15561 | 106 | Functional | -35 | 30 | Rat | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 314 | 3 | 0 | 4 | 2.6 | CS(=O)(=O)c1ccc(C2=C(c3ccccc3)C(=O)OC2)cc1 | None | |||
| CHEMBL122 | 15561 | 106 | Functional | -35 | 30 | Rat | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 314 | 3 | 0 | 4 | 2.6 | CS(=O)(=O)c1ccc(C2=C(c3ccccc3)C(=O)OC2)cc1 | None | |||
| 5090 | 15561 | 106 | Functional | -35 | 30 | Rat | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 314 | 3 | 0 | 4 | 2.6 | CS(=O)(=O)c1ccc(C2=C(c3ccccc3)C(=O)OC2)cc1 | None | |||
| CHEMBL122 | 15561 | 106 | Functional | -35 | 30 | Rat | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 314 | 3 | 0 | 4 | 2.6 | CS(=O)(=O)c1ccc(C2=C(c3ccccc3)C(=O)OC2)cc1 | None | |||
| 5077 | 3578 | 79 | None | 1 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 496 | 12 | 1 | 7 | 3.9 | O=C(NS(=O)(=O)C)COCCCCN(c1cnc(c(n1)c1ccccc1)c1ccccc1)C(C)C | None | |||
| 7552 | 3578 | 79 | None | 1 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 496 | 12 | 1 | 7 | 3.9 | O=C(NS(=O)(=O)C)COCCCCN(c1cnc(c(n1)c1ccccc1)c1ccccc1)C(C)C | None | |||
| 9913767 | 3578 | 79 | None | 1 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 496 | 12 | 1 | 7 | 3.9 | O=C(NS(=O)(=O)C)COCCCCN(c1cnc(c(n1)c1ccccc1)c1ccccc1)C(C)C | None | |||
| CHEMBL238804 | 3578 | 79 | None | 1 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 496 | 12 | 1 | 7 | 3.9 | O=C(NS(=O)(=O)C)COCCCCN(c1cnc(c(n1)c1ccccc1)c1ccccc1)C(C)C | None | |||
| DB11362 | 3578 | 79 | None | 1 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 496 | 12 | 1 | 7 | 3.9 | O=C(NS(=O)(=O)C)COCCCCN(c1cnc(c(n1)c1ccccc1)c1ccccc1)C(C)C | None | |||
| 1884 | 3083 | 52 | None | -36 | 22 | Rat | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 354 | 12 | 4 | 4 | 3.0 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O)O | None | |||
| 5280363 | 3083 | 52 | None | -36 | 22 | Rat | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 354 | 12 | 4 | 4 | 3.0 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O)O | None | |||
| 912 | 3083 | 52 | None | -36 | 22 | Rat | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 354 | 12 | 4 | 4 | 3.0 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O)O | None | |||
| CHEMBL815 | 3083 | 52 | None | -36 | 22 | Rat | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 354 | 12 | 4 | 4 | 3.0 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O)O | None | |||
| DB12789 | 3083 | 52 | None | -36 | 22 | Rat | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 354 | 12 | 4 | 4 | 3.0 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O)O | None | |||
| 138107701 | 187464 | 46 | None | -5 | 15 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 360 | 8 | 3 | 3 | 3.5 | CC#CCC(C)[C@H](O)/C=C/[C@@H]1[C@H]2C/C(=C/CCCC(=O)O)C[C@H]2C[C@H]1O | None | |||
| 5311181 | 187464 | 46 | None | -5 | 15 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 360 | 8 | 3 | 3 | 3.5 | CC#CCC(C)[C@H](O)/C=C/[C@@H]1[C@H]2C/C(=C/CCCC(=O)O)C[C@H]2C[C@H]1O | None | |||
| CHEMBL494 | 187464 | 46 | None | -5 | 15 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 360 | 8 | 3 | 3 | 3.5 | CC#CCC(C)[C@H](O)/C=C/[C@@H]1[C@H]2C/C(=C/CCCC(=O)O)C[C@H]2C[C@H]1O | None | |||
| 138107701 | 187464 | 46 | None | -5 | 15 | Mouse | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 360 | 8 | 3 | 3 | 3.5 | CC#CCC(C)[C@H](O)/C=C/[C@@H]1[C@H]2C/C(=C/CCCC(=O)O)C[C@H]2C[C@H]1O | None | |||
| 5311181 | 187464 | 46 | None | -5 | 15 | Mouse | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 360 | 8 | 3 | 3 | 3.5 | CC#CCC(C)[C@H](O)/C=C/[C@@H]1[C@H]2C/C(=C/CCCC(=O)O)C[C@H]2C[C@H]1O | None | |||
| CHEMBL494 | 187464 | 46 | None | -5 | 15 | Mouse | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 360 | 8 | 3 | 3 | 3.5 | CC#CCC(C)[C@H](O)/C=C/[C@@H]1[C@H]2C/C(=C/CCCC(=O)O)C[C@H]2C[C@H]1O | None | |||
| 1917 | 927 | 0 | None | -22 | 9 | Mouse | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 374 | 6 | 3 | 4 | 2.2 | CCC#CC[C@@H]([C@@H](C#C[C@H]1[C@H](O)C[C@H]2[C@@H]1C/C(=C/COCC(=O)O)/C2)O)C | None | |||
| 5311044 | 927 | 0 | None | -22 | 9 | Mouse | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 374 | 6 | 3 | 4 | 2.2 | CCC#CC[C@@H]([C@@H](C#C[C@H]1[C@H](O)C[C@H]2[C@@H]1C/C(=C/COCC(=O)O)/C2)O)C | None | |||
| 631 | 927 | 0 | None | -22 | 9 | Mouse | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 374 | 6 | 3 | 4 | 2.2 | CCC#CC[C@@H]([C@@H](C#C[C@H]1[C@H](O)C[C@H]2[C@@H]1C/C(=C/COCC(=O)O)/C2)O)C | None | |||
| CHEMBL160629 | 927 | 0 | None | -22 | 9 | Mouse | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 374 | 6 | 3 | 4 | 2.2 | CCC#CC[C@@H]([C@@H](C#C[C@H]1[C@H](O)C[C@H]2[C@@H]1C/C(=C/COCC(=O)O)/C2)O)C | None | |||
| 138107701 | 187464 | 46 | None | -5 | 15 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 360 | 8 | 3 | 3 | 3.5 | CC#CCC(C)[C@H](O)/C=C/[C@@H]1[C@H]2C/C(=C/CCCC(=O)O)C[C@H]2C[C@H]1O | None | |||
| 5311181 | 187464 | 46 | None | -5 | 15 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 360 | 8 | 3 | 3 | 3.5 | CC#CCC(C)[C@H](O)/C=C/[C@@H]1[C@H]2C/C(=C/CCCC(=O)O)C[C@H]2C[C@H]1O | None | |||
| CHEMBL494 | 187464 | 46 | None | -5 | 15 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 360 | 8 | 3 | 3 | 3.5 | CC#CCC(C)[C@H](O)/C=C/[C@@H]1[C@H]2C/C(=C/CCCC(=O)O)C[C@H]2C[C@H]1O | None | |||
| 1884 | 3083 | 52 | None | -37 | 22 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 354 | 12 | 4 | 4 | 3.0 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O)O | None | |||
| 5280363 | 3083 | 52 | None | -37 | 22 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 354 | 12 | 4 | 4 | 3.0 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O)O | None | |||
| 912 | 3083 | 52 | None | -37 | 22 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 354 | 12 | 4 | 4 | 3.0 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O)O | None | |||
| CHEMBL815 | 3083 | 52 | None | -37 | 22 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 354 | 12 | 4 | 4 | 3.0 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O)O | None | |||
| DB12789 | 3083 | 52 | None | -37 | 22 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 354 | 12 | 4 | 4 | 3.0 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O)O | None | |||
| 656511 | 217716 | 0 | None | -1 | 7 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 539 | 6 | 3 | 8 | -0.2 | CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)N3CCN(C3=O)S(C)(=O)=O)C3=CC=CC=C3)C(=O)N2[C@H]1C(O)=O | None | |||
| 3356 | 2280 | 73 | None | -53 | 8 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 435 | 5 | 1 | 4 | 4.4 | OC(=O)C[C@H]1CCc2c1n(Cc1ccc(cc1)Cl)c1c2cc(cc1S(=O)(=O)C)F | None | |||
| 4326 | 2280 | 73 | None | -53 | 8 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 435 | 5 | 1 | 4 | 4.4 | OC(=O)C[C@H]1CCc2c1n(Cc1ccc(cc1)Cl)c1c2cc(cc1S(=O)(=O)C)F | None | |||
| 9867642 | 2280 | 73 | None | -53 | 8 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 435 | 5 | 1 | 4 | 4.4 | OC(=O)C[C@H]1CCc2c1n(Cc1ccc(cc1)Cl)c1c2cc(cc1S(=O)(=O)C)F | None | |||
| CHEMBL426559 | 2280 | 73 | None | -53 | 8 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 435 | 5 | 1 | 4 | 4.4 | OC(=O)C[C@H]1CCc2c1n(Cc1ccc(cc1)Cl)c1c2cc(cc1S(=O)(=O)C)F | None | |||
| DB11629 | 2280 | 73 | None | -53 | 8 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 435 | 5 | 1 | 4 | 4.4 | OC(=O)C[C@H]1CCc2c1n(Cc1ccc(cc1)Cl)c1c2cc(cc1S(=O)(=O)C)F | None | |||
| 123619 | 216393 | 0 | None | 125 | 26 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 358 | 3 | 0 | 4 | 4.2 | CC1=NC=C(C=C1)C2=NC=C(C=C2C3=CC=C(C=C3)S(=O)(=O)C)Cl | None | |||
| 5090 | 15561 | 106 | None | 28 | 30 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 314 | 3 | 0 | 4 | 2.6 | CS(=O)(=O)c1ccc(C2=C(c3ccccc3)C(=O)OC2)cc1 | None | |||
| CHEMBL122 | 15561 | 106 | None | 28 | 30 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 314 | 3 | 0 | 4 | 2.6 | CS(=O)(=O)c1ccc(C2=C(c3ccccc3)C(=O)OC2)cc1 | None | |||
| 1817 | 2542 | 68 | None | -7 | 12 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 382 | 13 | 2 | 5 | 4.0 | CCCCC(C/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)OC)(O)C | None | |||
| 1936 | 2542 | 68 | None | -7 | 12 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 382 | 13 | 2 | 5 | 4.0 | CCCCC(C/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)OC)(O)C | None | |||
| 5282381 | 2542 | 68 | None | -7 | 12 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 382 | 13 | 2 | 5 | 4.0 | CCCCC(C/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)OC)(O)C | None | |||
| CHEMBL606 | 2542 | 68 | None | -7 | 12 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 382 | 13 | 2 | 5 | 4.0 | CCCCC(C/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)OC)(O)C | None | |||
| DB00929 | 2542 | 68 | None | -7 | 12 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 382 | 13 | 2 | 5 | 4.0 | CCCCC(C/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)OC)(O)C | None | |||
| 138 | 3081 | 88 | None | -19 | 18 | Mouse | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | None | |||
| 1882 | 3081 | 88 | None | -19 | 18 | Mouse | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | None | |||
| 5280723 | 3081 | 88 | None | -19 | 18 | Mouse | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | None | |||
| CHEMBL495 | 3081 | 88 | None | -19 | 18 | Mouse | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | None | |||
| DB00770 | 3081 | 88 | None | -19 | 18 | Mouse | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | None | |||
| 1883 | 3082 | 75 | None | -15 | 24 | Mouse | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | None | |||
| 1916 | 3082 | 75 | None | -15 | 24 | Mouse | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | None | |||
| 5280360 | 3082 | 75 | None | -15 | 24 | Mouse | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | None | |||
| 913 | 3082 | 75 | None | -15 | 24 | Mouse | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | None | |||
| CHEMBL548 | 3082 | 75 | None | -15 | 24 | Mouse | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | None | |||
| DB00917 | 3082 | 75 | None | -15 | 24 | Mouse | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | None | |||
| 1440 | 2027 | 119 | None | 3 | 6 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 357 | 4 | 1 | 4 | 3.9 | COc1ccc2c(c1)c(CC(=O)O)c(n2C(=O)c1ccc(cc1)Cl)C | None | |||
| 1909 | 2027 | 119 | None | 3 | 6 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 357 | 4 | 1 | 4 | 3.9 | COc1ccc2c(c1)c(CC(=O)O)c(n2C(=O)c1ccc(cc1)Cl)C | None | |||
| 3715 | 2027 | 119 | None | 3 | 6 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 357 | 4 | 1 | 4 | 3.9 | COc1ccc2c(c1)c(CC(=O)O)c(n2C(=O)c1ccc(cc1)Cl)C | None | |||
| CHEMBL6 | 2027 | 119 | None | 3 | 6 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 357 | 4 | 1 | 4 | 3.9 | COc1ccc2c(c1)c(CC(=O)O)c(n2C(=O)c1ccc(cc1)Cl)C | None | |||
| DB00328 | 2027 | 119 | None | 3 | 6 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 357 | 4 | 1 | 4 | 3.9 | COc1ccc2c(c1)c(CC(=O)O)c(n2C(=O)c1ccc(cc1)Cl)C | None | |||
| 138 | 3081 | 88 | None | -8 | 18 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | None | |||
| 1882 | 3081 | 88 | None | -8 | 18 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | None | |||
| 5280723 | 3081 | 88 | None | -8 | 18 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | None | |||
| CHEMBL495 | 3081 | 88 | None | -8 | 18 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | None | |||
| DB00770 | 3081 | 88 | None | -8 | 18 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | None | |||
| 2720 | 3854 | 59 | None | -1 | 6 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 390 | 10 | 3 | 4 | 3.6 | CCCCC[C@@H](CC[C@H]1[C@H](O)C[C@H]2[C@@H]1Cc1cccc(c1C2)OCC(=O)O)O | None | |||
| 5820 | 3854 | 59 | None | -1 | 6 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 390 | 10 | 3 | 4 | 3.6 | CCCCC[C@@H](CC[C@H]1[C@H](O)C[C@H]2[C@@H]1Cc1cccc(c1C2)OCC(=O)O)O | None | |||
| 6918140 | 3854 | 59 | None | -1 | 6 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 390 | 10 | 3 | 4 | 3.6 | CCCCC[C@@H](CC[C@H]1[C@H](O)C[C@H]2[C@@H]1Cc1cccc(c1C2)OCC(=O)O)O | None | |||
| CHEMBL1237119 | 3854 | 59 | None | -1 | 6 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 390 | 10 | 3 | 4 | 3.6 | CCCCC[C@@H](CC[C@H]1[C@H](O)C[C@H]2[C@@H]1Cc1cccc(c1C2)OCC(=O)O)O | None | |||
| DB00374 | 3854 | 59 | None | -1 | 6 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 390 | 10 | 3 | 4 | 3.6 | CCCCC[C@@H](CC[C@H]1[C@H](O)C[C@H]2[C@@H]1Cc1cccc(c1C2)OCC(=O)O)O | None | |||
| 1883 | 3082 | 75 | None | -6 | 24 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | None | |||
| 1916 | 3082 | 75 | None | -6 | 24 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | None | |||
| 5280360 | 3082 | 75 | None | -6 | 24 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | None | |||
| 913 | 3082 | 75 | None | -6 | 24 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | None | |||
| CHEMBL548 | 3082 | 75 | None | -6 | 24 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | None | |||
| DB00917 | 3082 | 75 | None | -6 | 24 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | None | |||
| 5852 | 2617 | 55 | None | -288 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | Guide to Pharmacology | 419 | 11 | 1 | 5 | 4.9 | OC(=O)COCCCCN(c1cnc(c(n1)c1ccccc1)c1ccccc1)C(C)C | 17545310 | |||
| 9931891 | 2617 | 55 | None | -288 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | Guide to Pharmacology | 419 | 11 | 1 | 5 | 4.9 | OC(=O)COCCCCN(c1cnc(c(n1)c1ccccc1)c1ccccc1)C(C)C | 17545310 | |||
| CHEMBL239226 | 2617 | 55 | None | -288 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | Guide to Pharmacology | 419 | 11 | 1 | 5 | 4.9 | OC(=O)COCCCCN(c1cnc(c(n1)c1ccccc1)c1ccccc1)C(C)C | 17545310 | |||
| 1895 | 2007 | 0 | None | -125 | 16 | Rat | 5.9 | pKi | = | 5.9 | Binding | Guide to Pharmacology | 360 | 8 | 3 | 3 | 3.5 | CC#CCC([C@@H](/C=C/C1[C@H](O)C[C@H]2[C@@H]1C/C(=C/CCCC(=O)O)/C2)O)C | 9537820 | |||
| 6435378 | 2007 | 0 | None | -125 | 16 | Rat | 5.9 | pKi | = | 5.9 | Binding | Guide to Pharmacology | 360 | 8 | 3 | 3 | 3.5 | CC#CCC([C@@H](/C=C/C1[C@H](O)C[C@H]2[C@@H]1C/C(=C/CCCC(=O)O)/C2)O)C | 9537820 | |||
| CHEMBL236025 | 2007 | 0 | None | -125 | 16 | Rat | 5.9 | pKi | = | 5.9 | Binding | Guide to Pharmacology | 360 | 8 | 3 | 3 | 3.5 | CC#CCC([C@@H](/C=C/C1[C@H](O)C[C@H]2[C@@H]1C/C(=C/CCCC(=O)O)/C2)O)C | 9537820 | |||
| DB01088 | 2007 | 0 | None | -125 | 16 | Rat | 5.9 | pKi | = | 5.9 | Binding | Guide to Pharmacology | 360 | 8 | 3 | 3 | 3.5 | CC#CCC([C@@H](/C=C/C1[C@H](O)C[C@H]2[C@@H]1C/C(=C/CCCC(=O)O)/C2)O)C | 9537820 | |||
| 1892 | 747 | 20 | None | -2 | 9 | Human | 6.5 | pKi | = | 6.5 | Binding | Guide to Pharmacology | 394 | 13 | 3 | 4 | 4.3 | CCCC1(CCC1)[C@H](C/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | 10462542 | |||
| 1892 | 747 | 20 | None | -2 | 9 | Human | 6.5 | pKi | = | 6.5 | Binding | Guide to Pharmacology | 394 | 13 | 3 | 4 | 4.3 | CCCC1(CCC1)[C@H](C/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | 10634944 | |||
| 25886893 | 747 | 20 | None | -2 | 9 | Human | 6.5 | pKi | = | 6.5 | Binding | Guide to Pharmacology | 394 | 13 | 3 | 4 | 4.3 | CCCC1(CCC1)[C@H](C/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | 10462542 | |||
| 25886893 | 747 | 20 | None | -2 | 9 | Human | 6.5 | pKi | = | 6.5 | Binding | Guide to Pharmacology | 394 | 13 | 3 | 4 | 4.3 | CCCC1(CCC1)[C@H](C/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | 10634944 | |||
| CHEMBL1628262 | 747 | 20 | None | -2 | 9 | Human | 6.5 | pKi | = | 6.5 | Binding | Guide to Pharmacology | 394 | 13 | 3 | 4 | 4.3 | CCCC1(CCC1)[C@H](C/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | 10462542 | |||
| CHEMBL1628262 | 747 | 20 | None | -2 | 9 | Human | 6.5 | pKi | = | 6.5 | Binding | Guide to Pharmacology | 394 | 13 | 3 | 4 | 4.3 | CCCC1(CCC1)[C@H](C/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | 10634944 | |||
| 1883 | 3082 | 75 | None | -15 | 24 | Mouse | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10746663 | |||
| 1883 | 3082 | 75 | None | -15 | 24 | Mouse | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 14607240 | |||
| 1883 | 3082 | 75 | None | -15 | 24 | Mouse | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 9313928 | |||
| 1916 | 3082 | 75 | None | -15 | 24 | Mouse | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10746663 | |||
| 1916 | 3082 | 75 | None | -15 | 24 | Mouse | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 14607240 | |||
| 1916 | 3082 | 75 | None | -15 | 24 | Mouse | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 9313928 | |||
| 5280360 | 3082 | 75 | None | -15 | 24 | Mouse | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10746663 | |||
| 5280360 | 3082 | 75 | None | -15 | 24 | Mouse | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 14607240 | |||
| 5280360 | 3082 | 75 | None | -15 | 24 | Mouse | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 9313928 | |||
| 913 | 3082 | 75 | None | -15 | 24 | Mouse | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10746663 | |||
| 913 | 3082 | 75 | None | -15 | 24 | Mouse | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 14607240 | |||
| 913 | 3082 | 75 | None | -15 | 24 | Mouse | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 9313928 | |||
| CHEMBL548 | 3082 | 75 | None | -15 | 24 | Mouse | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10746663 | |||
| CHEMBL548 | 3082 | 75 | None | -15 | 24 | Mouse | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 14607240 | |||
| CHEMBL548 | 3082 | 75 | None | -15 | 24 | Mouse | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 9313928 | |||
| DB00917 | 3082 | 75 | None | -15 | 24 | Mouse | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10746663 | |||
| DB00917 | 3082 | 75 | None | -15 | 24 | Mouse | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 14607240 | |||
| DB00917 | 3082 | 75 | None | -15 | 24 | Mouse | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 9313928 | |||
| 1883 | 3082 | 75 | None | -6 | 24 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10462542 | |||
| 1883 | 3082 | 75 | None | -6 | 24 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10634944 | |||
| 1883 | 3082 | 75 | None | -6 | 24 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 16604093 | |||
| 1916 | 3082 | 75 | None | -6 | 24 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10462542 | |||
| 1916 | 3082 | 75 | None | -6 | 24 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10634944 | |||
| 1916 | 3082 | 75 | None | -6 | 24 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 16604093 | |||
| 5280360 | 3082 | 75 | None | -6 | 24 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10462542 | |||
| 5280360 | 3082 | 75 | None | -6 | 24 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10634944 | |||
| 5280360 | 3082 | 75 | None | -6 | 24 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 16604093 | |||
| 913 | 3082 | 75 | None | -6 | 24 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10462542 | |||
| 913 | 3082 | 75 | None | -6 | 24 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10634944 | |||
| 913 | 3082 | 75 | None | -6 | 24 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 16604093 | |||
| CHEMBL548 | 3082 | 75 | None | -6 | 24 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10462542 | |||
| CHEMBL548 | 3082 | 75 | None | -6 | 24 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10634944 | |||
| CHEMBL548 | 3082 | 75 | None | -6 | 24 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 16604093 | |||
| DB00917 | 3082 | 75 | None | -6 | 24 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10462542 | |||
| DB00917 | 3082 | 75 | None | -6 | 24 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10634944 | |||
| DB00917 | 3082 | 75 | None | -6 | 24 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 16604093 | |||
| 138 | 3081 | 88 | None | -19 | 18 | Mouse | 8.0 | pKi | = | 8 | Binding | Guide to Pharmacology | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | 9313928 | |||
| 138 | 3081 | 88 | None | -8 | 18 | Rat | 8.0 | pKi | = | 8 | Binding | Guide to Pharmacology | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | 9537820 | |||
| 1882 | 3081 | 88 | None | -19 | 18 | Mouse | 8.0 | pKi | = | 8 | Binding | Guide to Pharmacology | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | 9313928 | |||
| 1882 | 3081 | 88 | None | -8 | 18 | Rat | 8.0 | pKi | = | 8 | Binding | Guide to Pharmacology | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | 9537820 | |||
| 5280723 | 3081 | 88 | None | -19 | 18 | Mouse | 8.0 | pKi | = | 8 | Binding | Guide to Pharmacology | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | 9313928 | |||
| 5280723 | 3081 | 88 | None | -8 | 18 | Rat | 8.0 | pKi | = | 8 | Binding | Guide to Pharmacology | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | 9537820 | |||
| CHEMBL495 | 3081 | 88 | None | -19 | 18 | Mouse | 8.0 | pKi | = | 8 | Binding | Guide to Pharmacology | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | 9313928 | |||
| CHEMBL495 | 3081 | 88 | None | -8 | 18 | Rat | 8.0 | pKi | = | 8 | Binding | Guide to Pharmacology | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | 9537820 | |||
| DB00770 | 3081 | 88 | None | -19 | 18 | Mouse | 8.0 | pKi | = | 8 | Binding | Guide to Pharmacology | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | 9313928 | |||
| DB00770 | 3081 | 88 | None | -8 | 18 | Rat | 8.0 | pKi | = | 8 | Binding | Guide to Pharmacology | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | 9537820 | |||
| 138 | 3081 | 88 | None | -9 | 18 | Human | 8.0 | pKi | = | 8.0 | Binding | Guide to Pharmacology | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | 8163486 | |||
| 1882 | 3081 | 88 | None | -9 | 18 | Human | 8.0 | pKi | = | 8.0 | Binding | Guide to Pharmacology | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | 8163486 | |||
| 5280723 | 3081 | 88 | None | -9 | 18 | Human | 8.0 | pKi | = | 8.0 | Binding | Guide to Pharmacology | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | 8163486 | |||
| CHEMBL495 | 3081 | 88 | None | -9 | 18 | Human | 8.0 | pKi | = | 8.0 | Binding | Guide to Pharmacology | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | 8163486 | |||
| DB00770 | 3081 | 88 | None | -9 | 18 | Human | 8.0 | pKi | = | 8.0 | Binding | Guide to Pharmacology | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | 8163486 | |||
| 1883 | 3082 | 75 | None | -7 | 24 | Rat | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 9537820 | |||
| 1916 | 3082 | 75 | None | -7 | 24 | Rat | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 9537820 | |||
| 5280360 | 3082 | 75 | None | -7 | 24 | Rat | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 9537820 | |||
| 913 | 3082 | 75 | None | -7 | 24 | Rat | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 9537820 | |||
| CHEMBL548 | 3082 | 75 | None | -7 | 24 | Rat | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 9537820 | |||
| DB00917 | 3082 | 75 | None | -7 | 24 | Rat | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 9537820 | |||
| 10110 | 3087 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 383 | 6 | 2 | 3 | 4.3 | OC(=O)COc1cccc(c1)NC(=O)c1cc(ccc1F)c1cccc(c1)F | 30341781 | |||
| 59654860 | 3087 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 383 | 6 | 2 | 3 | 4.3 | OC(=O)COc1cccc(c1)NC(=O)c1cc(ccc1F)c1cccc(c1)F | 30341781 | |||
| 2720 | 3854 | 59 | None | -1 | 6 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 390 | 10 | 3 | 4 | 3.6 | CCCCC[C@@H](CC[C@H]1[C@H](O)C[C@H]2[C@@H]1Cc1cccc(c1C2)OCC(=O)O)O | 22480736 | |||
| 2720 | 3854 | 59 | None | -1 | 6 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 390 | 10 | 3 | 4 | 3.6 | CCCCC[C@@H](CC[C@H]1[C@H](O)C[C@H]2[C@@H]1Cc1cccc(c1C2)OCC(=O)O)O | 25542069 | |||
| 5820 | 3854 | 59 | None | -1 | 6 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 390 | 10 | 3 | 4 | 3.6 | CCCCC[C@@H](CC[C@H]1[C@H](O)C[C@H]2[C@@H]1Cc1cccc(c1C2)OCC(=O)O)O | 22480736 | |||
| 5820 | 3854 | 59 | None | -1 | 6 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 390 | 10 | 3 | 4 | 3.6 | CCCCC[C@@H](CC[C@H]1[C@H](O)C[C@H]2[C@@H]1Cc1cccc(c1C2)OCC(=O)O)O | 25542069 | |||
| 6918140 | 3854 | 59 | None | -1 | 6 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 390 | 10 | 3 | 4 | 3.6 | CCCCC[C@@H](CC[C@H]1[C@H](O)C[C@H]2[C@@H]1Cc1cccc(c1C2)OCC(=O)O)O | 22480736 | |||
| 6918140 | 3854 | 59 | None | -1 | 6 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 390 | 10 | 3 | 4 | 3.6 | CCCCC[C@@H](CC[C@H]1[C@H](O)C[C@H]2[C@@H]1Cc1cccc(c1C2)OCC(=O)O)O | 25542069 | |||
| CHEMBL1237119 | 3854 | 59 | None | -1 | 6 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 390 | 10 | 3 | 4 | 3.6 | CCCCC[C@@H](CC[C@H]1[C@H](O)C[C@H]2[C@@H]1Cc1cccc(c1C2)OCC(=O)O)O | 22480736 | |||
| CHEMBL1237119 | 3854 | 59 | None | -1 | 6 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 390 | 10 | 3 | 4 | 3.6 | CCCCC[C@@H](CC[C@H]1[C@H](O)C[C@H]2[C@@H]1Cc1cccc(c1C2)OCC(=O)O)O | 25542069 | |||
| DB00374 | 3854 | 59 | None | -1 | 6 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 390 | 10 | 3 | 4 | 3.6 | CCCCC[C@@H](CC[C@H]1[C@H](O)C[C@H]2[C@@H]1Cc1cccc(c1C2)OCC(=O)O)O | 22480736 | |||
| DB00374 | 3854 | 59 | None | -1 | 6 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 390 | 10 | 3 | 4 | 3.6 | CCCCC[C@@H](CC[C@H]1[C@H](O)C[C@H]2[C@@H]1Cc1cccc(c1C2)OCC(=O)O)O | 25542069 | |||
| 10315 | 2926 | 28 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 478 | 10 | 2 | 8 | 2.6 | OC(=O)CNc1cccc(n1)CN(S(=O)(=O)c1cccnc1)Cc1ccc(cc1)n1cccn1 | 29332128 | |||
| 44230575 | 2926 | 28 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 478 | 10 | 2 | 8 | 2.6 | OC(=O)CNc1cccc(n1)CN(S(=O)(=O)c1cccnc1)Cc1ccc(cc1)n1cccn1 | 29332128 | |||
| CHEMBL3707245 | 2926 | 28 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 478 | 10 | 2 | 8 | 2.6 | OC(=O)CNc1cccc(n1)CN(S(=O)(=O)c1cccnc1)Cc1ccc(cc1)n1cccn1 | 29332128 | |||
| 1932 | 2942 | 5 | None | -1 | 6 | Mouse | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | 410 | 12 | 3 | 3 | 4.8 | C=CCC1(CCC1)[C@H](C/C=C/[C@H]1[C@H](O)C[C@H]([C@@H]1C/C=C\CCCC(=O)O)Cl)O | 10746663 | |||
| 5311228 | 2942 | 5 | None | -1 | 6 | Mouse | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | 410 | 12 | 3 | 3 | 4.8 | C=CCC1(CCC1)[C@H](C/C=C/[C@H]1[C@H](O)C[C@H]([C@@H]1C/C=C\CCCC(=O)O)Cl)O | 10746663 | |||
| CHEMBL3286796 | 2942 | 5 | None | -1 | 6 | Mouse | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | 410 | 12 | 3 | 3 | 4.8 | C=CCC1(CCC1)[C@H](C/C=C/[C@H]1[C@H](O)C[C@H]([C@@H]1C/C=C\CCCC(=O)O)Cl)O | 10746663 | |||
| 1888 | 3900 | 29 | None | -501 | 17 | Human | 4.9 | pKi | None | 4.9 | Binding | Guide to Pharmacology | 350 | 12 | 2 | 3 | 4.3 | CCCCC[C@@H](/C=C/[C@H]1[C@@H]2OC[C@H]([C@@H]1C/C=C\CCCC(=O)O)C2)O | 10634944 | |||
| 1974 | 3900 | 29 | None | -501 | 17 | Human | 4.9 | pKi | None | 4.9 | Binding | Guide to Pharmacology | 350 | 12 | 2 | 3 | 4.3 | CCCCC[C@@H](/C=C/[C@H]1[C@@H]2OC[C@H]([C@@H]1C/C=C\CCCC(=O)O)C2)O | 10634944 | |||
| 5311493 | 3900 | 29 | None | -501 | 17 | Human | 4.9 | pKi | None | 4.9 | Binding | Guide to Pharmacology | 350 | 12 | 2 | 3 | 4.3 | CCCCC[C@@H](/C=C/[C@H]1[C@@H]2OC[C@H]([C@@H]1C/C=C\CCCC(=O)O)C2)O | 10634944 | |||
| CHEMBL521784 | 3900 | 29 | None | -501 | 17 | Human | 4.9 | pKi | None | 4.9 | Binding | Guide to Pharmacology | 350 | 12 | 2 | 3 | 4.3 | CCCCC[C@@H](/C=C/[C@H]1[C@@H]2OC[C@H]([C@@H]1C/C=C\CCCC(=O)O)C2)O | 10634944 | |||
| 1817 | 2542 | 68 | None | -7 | 12 | Human | 5.0 | pKi | None | 5 | Binding | Guide to Pharmacology | 382 | 13 | 2 | 5 | 4.0 | CCCCC(C/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)OC)(O)C | 10634944 | |||
| 1936 | 2542 | 68 | None | -7 | 12 | Human | 5.0 | pKi | None | 5 | Binding | Guide to Pharmacology | 382 | 13 | 2 | 5 | 4.0 | CCCCC(C/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)OC)(O)C | 10634944 | |||
| 5282381 | 2542 | 68 | None | -7 | 12 | Human | 5.0 | pKi | None | 5 | Binding | Guide to Pharmacology | 382 | 13 | 2 | 5 | 4.0 | CCCCC(C/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)OC)(O)C | 10634944 | |||
| CHEMBL606 | 2542 | 68 | None | -7 | 12 | Human | 5.0 | pKi | None | 5 | Binding | Guide to Pharmacology | 382 | 13 | 2 | 5 | 4.0 | CCCCC(C/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)OC)(O)C | 10634944 | |||
| DB00929 | 2542 | 68 | None | -7 | 12 | Human | 5.0 | pKi | None | 5 | Binding | Guide to Pharmacology | 382 | 13 | 2 | 5 | 4.0 | CCCCC(C/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)OC)(O)C | 10634944 | |||
| 1881 | 3079 | 0 | None | -4570 | 21 | Human | 5.0 | pKi | None | 5 | Binding | Guide to Pharmacology | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1C(=O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O)O | 10462542 | |||
| 1891 | 3079 | 0 | None | -4570 | 21 | Human | 5.0 | pKi | None | 5 | Binding | Guide to Pharmacology | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1C(=O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O)O | 10462542 | |||
| 448457 | 3079 | 0 | None | -4570 | 21 | Human | 5.0 | pKi | None | 5 | Binding | Guide to Pharmacology | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1C(=O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O)O | 10462542 | |||
| CHEMBL1235252 | 3079 | 0 | None | -4570 | 21 | Human | 5.0 | pKi | None | 5 | Binding | Guide to Pharmacology | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1C(=O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O)O | 10462542 | |||
| DB02056 | 3079 | 0 | None | -4570 | 21 | Human | 5.0 | pKi | None | 5 | Binding | Guide to Pharmacology | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1C(=O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O)O | 10462542 | |||
| 1888 | 3900 | 29 | None | -316 | 17 | Rat | 5.1 | pKi | None | 5.1 | Binding | Guide to Pharmacology | 350 | 12 | 2 | 3 | 4.3 | CCCCC[C@@H](/C=C/[C@H]1[C@@H]2OC[C@H]([C@@H]1C/C=C\CCCC(=O)O)C2)O | 9537820 | |||
| 1974 | 3900 | 29 | None | -316 | 17 | Rat | 5.1 | pKi | None | 5.1 | Binding | Guide to Pharmacology | 350 | 12 | 2 | 3 | 4.3 | CCCCC[C@@H](/C=C/[C@H]1[C@@H]2OC[C@H]([C@@H]1C/C=C\CCCC(=O)O)C2)O | 9537820 | |||
| 5311493 | 3900 | 29 | None | -316 | 17 | Rat | 5.1 | pKi | None | 5.1 | Binding | Guide to Pharmacology | 350 | 12 | 2 | 3 | 4.3 | CCCCC[C@@H](/C=C/[C@H]1[C@@H]2OC[C@H]([C@@H]1C/C=C\CCCC(=O)O)C2)O | 9537820 | |||
| CHEMBL521784 | 3900 | 29 | None | -316 | 17 | Rat | 5.1 | pKi | None | 5.1 | Binding | Guide to Pharmacology | 350 | 12 | 2 | 3 | 4.3 | CCCCC[C@@H](/C=C/[C@H]1[C@@H]2OC[C@H]([C@@H]1C/C=C\CCCC(=O)O)C2)O | 9537820 | |||
| 1881 | 3079 | 0 | None | -2290 | 21 | Rat | 5.3 | pKi | None | 5.3 | Binding | Guide to Pharmacology | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1C(=O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O)O | 9537820 | |||
| 1891 | 3079 | 0 | None | -2290 | 21 | Rat | 5.3 | pKi | None | 5.3 | Binding | Guide to Pharmacology | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1C(=O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O)O | 9537820 | |||
| 448457 | 3079 | 0 | None | -2290 | 21 | Rat | 5.3 | pKi | None | 5.3 | Binding | Guide to Pharmacology | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1C(=O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O)O | 9537820 | |||
| CHEMBL1235252 | 3079 | 0 | None | -2290 | 21 | Rat | 5.3 | pKi | None | 5.3 | Binding | Guide to Pharmacology | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1C(=O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O)O | 9537820 | |||
| DB02056 | 3079 | 0 | None | -2290 | 21 | Rat | 5.3 | pKi | None | 5.3 | Binding | Guide to Pharmacology | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1C(=O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O)O | 9537820 | |||
| 1931 | 2946 | 0 | None | -371 | 2 | Mouse | 5.4 | pKi | None | 5.4 | Binding | Guide to Pharmacology | 380 | 14 | 1 | 4 | 4.6 | CCCCC[C@@H](/C=C/[C@H]1[C@H](OC)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)OC | 10746663 | |||
| 5311229 | 2946 | 0 | None | -371 | 2 | Mouse | 5.4 | pKi | None | 5.4 | Binding | Guide to Pharmacology | 380 | 14 | 1 | 4 | 4.6 | CCCCC[C@@H](/C=C/[C@H]1[C@H](OC)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)OC | 10746663 | |||
| 1884 | 3083 | 52 | None | -37 | 22 | Human | 5.6 | pKi | None | 5.6 | Binding | Guide to Pharmacology | 354 | 12 | 4 | 4 | 3.0 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O)O | 10462542 | |||
| 1884 | 3083 | 52 | None | -37 | 22 | Human | 5.6 | pKi | None | 5.6 | Binding | Guide to Pharmacology | 354 | 12 | 4 | 4 | 3.0 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O)O | 10634944 | |||
| 5280363 | 3083 | 52 | None | -37 | 22 | Human | 5.6 | pKi | None | 5.6 | Binding | Guide to Pharmacology | 354 | 12 | 4 | 4 | 3.0 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O)O | 10462542 | |||
| 5280363 | 3083 | 52 | None | -37 | 22 | Human | 5.6 | pKi | None | 5.6 | Binding | Guide to Pharmacology | 354 | 12 | 4 | 4 | 3.0 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O)O | 10634944 | |||
| 912 | 3083 | 52 | None | -37 | 22 | Human | 5.6 | pKi | None | 5.6 | Binding | Guide to Pharmacology | 354 | 12 | 4 | 4 | 3.0 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O)O | 10462542 | |||
| 912 | 3083 | 52 | None | -37 | 22 | Human | 5.6 | pKi | None | 5.6 | Binding | Guide to Pharmacology | 354 | 12 | 4 | 4 | 3.0 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O)O | 10634944 | |||
| CHEMBL815 | 3083 | 52 | None | -37 | 22 | Human | 5.6 | pKi | None | 5.6 | Binding | Guide to Pharmacology | 354 | 12 | 4 | 4 | 3.0 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O)O | 10462542 | |||
| CHEMBL815 | 3083 | 52 | None | -37 | 22 | Human | 5.6 | pKi | None | 5.6 | Binding | Guide to Pharmacology | 354 | 12 | 4 | 4 | 3.0 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O)O | 10634944 | |||
| DB12789 | 3083 | 52 | None | -37 | 22 | Human | 5.6 | pKi | None | 5.6 | Binding | Guide to Pharmacology | 354 | 12 | 4 | 4 | 3.0 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O)O | 10462542 | |||
| DB12789 | 3083 | 52 | None | -37 | 22 | Human | 5.6 | pKi | None | 5.6 | Binding | Guide to Pharmacology | 354 | 12 | 4 | 4 | 3.0 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O)O | 10634944 | |||
| 1884 | 3083 | 52 | None | -36 | 22 | Rat | 5.6 | pKi | None | 5.6 | Binding | Guide to Pharmacology | 354 | 12 | 4 | 4 | 3.0 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O)O | 9537820 | |||
| 5280363 | 3083 | 52 | None | -36 | 22 | Rat | 5.6 | pKi | None | 5.6 | Binding | Guide to Pharmacology | 354 | 12 | 4 | 4 | 3.0 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O)O | 9537820 | |||
| 912 | 3083 | 52 | None | -36 | 22 | Rat | 5.6 | pKi | None | 5.6 | Binding | Guide to Pharmacology | 354 | 12 | 4 | 4 | 3.0 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O)O | 9537820 | |||
| CHEMBL815 | 3083 | 52 | None | -36 | 22 | Rat | 5.6 | pKi | None | 5.6 | Binding | Guide to Pharmacology | 354 | 12 | 4 | 4 | 3.0 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O)O | 9537820 | |||
| DB12789 | 3083 | 52 | None | -36 | 22 | Rat | 5.6 | pKi | None | 5.6 | Binding | Guide to Pharmacology | 354 | 12 | 4 | 4 | 3.0 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O)O | 9537820 | |||
| 1913 | 2464 | 0 | None | -15848 | 15 | Human | 5.7 | pKi | None | 5.7 | Binding | Guide to Pharmacology | 374 | 12 | 2 | 4 | 4.0 | OC(=O)CCCCCC[C@@H]1[C@@H](/C=C/[C@H](COc2ccccc2)O)CCC1=O | 10462542 | |||
| 1913 | 2464 | 0 | None | -15848 | 15 | Human | 5.7 | pKi | None | 5.7 | Binding | Guide to Pharmacology | 374 | 12 | 2 | 4 | 4.0 | OC(=O)CCCCCC[C@@H]1[C@@H](/C=C/[C@H](COc2ccccc2)O)CCC1=O | 10634944 | |||
| 5311223 | 2464 | 0 | None | -15848 | 15 | Human | 5.7 | pKi | None | 5.7 | Binding | Guide to Pharmacology | 374 | 12 | 2 | 4 | 4.0 | OC(=O)CCCCCC[C@@H]1[C@@H](/C=C/[C@H](COc2ccccc2)O)CCC1=O | 10462542 | |||
| 5311223 | 2464 | 0 | None | -15848 | 15 | Human | 5.7 | pKi | None | 5.7 | Binding | Guide to Pharmacology | 374 | 12 | 2 | 4 | 4.0 | OC(=O)CCCCCC[C@@H]1[C@@H](/C=C/[C@H](COc2ccccc2)O)CCC1=O | 10634944 | |||
| 1895 | 2007 | 0 | None | -199 | 16 | Human | 5.7 | pKi | None | 5.7 | Binding | Guide to Pharmacology | 360 | 8 | 3 | 3 | 3.5 | CC#CCC([C@@H](/C=C/C1[C@H](O)C[C@H]2[C@@H]1C/C(=C/CCCC(=O)O)/C2)O)C | 10634944 | |||
| 6435378 | 2007 | 0 | None | -199 | 16 | Human | 5.7 | pKi | None | 5.7 | Binding | Guide to Pharmacology | 360 | 8 | 3 | 3 | 3.5 | CC#CCC([C@@H](/C=C/C1[C@H](O)C[C@H]2[C@@H]1C/C(=C/CCCC(=O)O)/C2)O)C | 10634944 | |||
| CHEMBL236025 | 2007 | 0 | None | -199 | 16 | Human | 5.7 | pKi | None | 5.7 | Binding | Guide to Pharmacology | 360 | 8 | 3 | 3 | 3.5 | CC#CCC([C@@H](/C=C/C1[C@H](O)C[C@H]2[C@@H]1C/C(=C/CCCC(=O)O)/C2)O)C | 10634944 | |||
| DB01088 | 2007 | 0 | None | -199 | 16 | Human | 5.7 | pKi | None | 5.7 | Binding | Guide to Pharmacology | 360 | 8 | 3 | 3 | 3.5 | CC#CCC([C@@H](/C=C/C1[C@H](O)C[C@H]2[C@@H]1C/C(=C/CCCC(=O)O)/C2)O)C | 10634944 | |||
| 1933 | 2943 | 0 | None | -199 | 3 | Mouse | 5.7 | pKi | None | 5.7 | Binding | Guide to Pharmacology | 468 | 14 | 3 | 7 | 2.9 | COCc1ccccc1CC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1SCCCSCC(=O)O)O | 10746663 | |||
| 5311230 | 2943 | 0 | None | -199 | 3 | Mouse | 5.7 | pKi | None | 5.7 | Binding | Guide to Pharmacology | 468 | 14 | 3 | 7 | 2.9 | COCc1ccccc1CC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1SCCCSCC(=O)O)O | 10746663 | |||
| 1893 | 795 | 0 | None | -112 | 13 | Mouse | 5.8 | pKi | None | 5.8 | Binding | Guide to Pharmacology | 350 | 10 | 3 | 3 | 4.1 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)C[C@H]2[C@@H]1C/C(=C\CCCC(=O)O)/C2)O | 9313928 | |||
| 5311242 | 795 | 0 | None | -112 | 13 | Mouse | 5.8 | pKi | None | 5.8 | Binding | Guide to Pharmacology | 350 | 10 | 3 | 3 | 4.1 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)C[C@H]2[C@@H]1C/C(=C\CCCC(=O)O)/C2)O | 9313928 | |||
| CHEMBL148319 | 795 | 0 | None | -112 | 13 | Mouse | 5.8 | pKi | None | 5.8 | Binding | Guide to Pharmacology | 350 | 10 | 3 | 3 | 4.1 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)C[C@H]2[C@@H]1C/C(=C\CCCC(=O)O)/C2)O | 9313928 | |||
| 1895 | 2007 | 0 | None | -158 | 16 | Mouse | 5.8 | pKi | None | 5.8 | Binding | Guide to Pharmacology | 360 | 8 | 3 | 3 | 3.5 | CC#CCC([C@@H](/C=C/C1[C@H](O)C[C@H]2[C@@H]1C/C(=C/CCCC(=O)O)/C2)O)C | 9313928 | |||
| 6435378 | 2007 | 0 | None | -158 | 16 | Mouse | 5.8 | pKi | None | 5.8 | Binding | Guide to Pharmacology | 360 | 8 | 3 | 3 | 3.5 | CC#CCC([C@@H](/C=C/C1[C@H](O)C[C@H]2[C@@H]1C/C(=C/CCCC(=O)O)/C2)O)C | 9313928 | |||
| CHEMBL236025 | 2007 | 0 | None | -158 | 16 | Mouse | 5.8 | pKi | None | 5.8 | Binding | Guide to Pharmacology | 360 | 8 | 3 | 3 | 3.5 | CC#CCC([C@@H](/C=C/C1[C@H](O)C[C@H]2[C@@H]1C/C(=C/CCCC(=O)O)/C2)O)C | 9313928 | |||
| DB01088 | 2007 | 0 | None | -158 | 16 | Mouse | 5.8 | pKi | None | 5.8 | Binding | Guide to Pharmacology | 360 | 8 | 3 | 3 | 3.5 | CC#CCC([C@@H](/C=C/C1[C@H](O)C[C@H]2[C@@H]1C/C(=C/CCCC(=O)O)/C2)O)C | 9313928 | |||
| 1947 | 28 | 0 | None | -39 | 3 | Human | 5.9 | pKi | None | 5.9 | Binding | Guide to Pharmacology | 368 | 12 | 4 | 5 | 2.2 | O[C@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)CCC[C@H](O)C | 8078484 | |||
| 5283038 | 28 | 0 | None | -39 | 3 | Human | 5.9 | pKi | None | 5.9 | Binding | Guide to Pharmacology | 368 | 12 | 4 | 5 | 2.2 | O[C@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)CCC[C@H](O)C | 8078484 | |||
| 119461 | 320 | 72 | None | -3 | 10 | Human | 5.9 | pKi | None | 5.9 | Binding | Guide to Pharmacology | 298 | 3 | 1 | 4 | 3.4 | CC(Oc1ccc2c(c1)oc1c(c2=O)cc(cc1)C(=O)O)C | 10634944 | |||
| 1896 | 320 | 72 | None | -3 | 10 | Human | 5.9 | pKi | None | 5.9 | Binding | Guide to Pharmacology | 298 | 3 | 1 | 4 | 3.4 | CC(Oc1ccc2c(c1)oc1c(c2=O)cc(cc1)C(=O)O)C | 10634944 | |||
| CHEMBL1317823 | 320 | 72 | None | -3 | 10 | Human | 5.9 | pKi | None | 5.9 | Binding | Guide to Pharmacology | 298 | 3 | 1 | 4 | 3.4 | CC(Oc1ccc2c(c1)oc1c(c2=O)cc(cc1)C(=O)O)C | 10634944 | |||
| 1917 | 927 | 0 | None | -22 | 9 | Mouse | 5.9 | pKi | None | 5.9 | Binding | Guide to Pharmacology | 374 | 6 | 3 | 4 | 2.2 | CCC#CC[C@@H]([C@@H](C#C[C@H]1[C@H](O)C[C@H]2[C@@H]1C/C(=C/COCC(=O)O)/C2)O)C | 9313928 | |||
| 5311044 | 927 | 0 | None | -22 | 9 | Mouse | 5.9 | pKi | None | 5.9 | Binding | Guide to Pharmacology | 374 | 6 | 3 | 4 | 2.2 | CCC#CC[C@@H]([C@@H](C#C[C@H]1[C@H](O)C[C@H]2[C@@H]1C/C(=C/COCC(=O)O)/C2)O)C | 9313928 | |||
| 631 | 927 | 0 | None | -22 | 9 | Mouse | 5.9 | pKi | None | 5.9 | Binding | Guide to Pharmacology | 374 | 6 | 3 | 4 | 2.2 | CCC#CC[C@@H]([C@@H](C#C[C@H]1[C@H](O)C[C@H]2[C@@H]1C/C(=C/COCC(=O)O)/C2)O)C | 9313928 | |||
| CHEMBL160629 | 927 | 0 | None | -22 | 9 | Mouse | 5.9 | pKi | None | 5.9 | Binding | Guide to Pharmacology | 374 | 6 | 3 | 4 | 2.2 | CCC#CC[C@@H]([C@@H](C#C[C@H]1[C@H](O)C[C@H]2[C@@H]1C/C(=C/COCC(=O)O)/C2)O)C | 9313928 | |||
| 1913 | 2464 | 0 | None | -8912 | 15 | Rat | 5.9 | pKi | None | 5.9 | Binding | Guide to Pharmacology | 374 | 12 | 2 | 4 | 4.0 | OC(=O)CCCCCC[C@@H]1[C@@H](/C=C/[C@H](COc2ccccc2)O)CCC1=O | 9537820 | |||
| 5311223 | 2464 | 0 | None | -8912 | 15 | Rat | 5.9 | pKi | None | 5.9 | Binding | Guide to Pharmacology | 374 | 12 | 2 | 4 | 4.0 | OC(=O)CCCCCC[C@@H]1[C@@H](/C=C/[C@H](COc2ccccc2)O)CCC1=O | 9537820 | |||
| 1928 | 317 | 0 | None | -12 | 3 | Human | 6.0 | pKi | None | 6 | Binding | Guide to Pharmacology | 388 | 13 | 2 | 3 | 5.8 | CCCCCC(c1ccc(cc1)C1CCC(=O)C1CCCCCCC(=O)O)O | 10462542 | |||
| 5310998 | 317 | 0 | None | -12 | 3 | Human | 6.0 | pKi | None | 6 | Binding | Guide to Pharmacology | 388 | 13 | 2 | 3 | 5.8 | CCCCCC(c1ccc(cc1)C1CCC(=O)C1CCCCCCC(=O)O)O | 10462542 | |||
| 1893 | 795 | 0 | None | -70 | 13 | Human | 6.0 | pKi | None | 6 | Binding | Guide to Pharmacology | 350 | 10 | 3 | 3 | 4.1 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)C[C@H]2[C@@H]1C/C(=C\CCCC(=O)O)/C2)O | 10634944 | |||
| 5311242 | 795 | 0 | None | -70 | 13 | Human | 6.0 | pKi | None | 6 | Binding | Guide to Pharmacology | 350 | 10 | 3 | 3 | 4.1 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)C[C@H]2[C@@H]1C/C(=C\CCCC(=O)O)/C2)O | 10634944 | |||
| CHEMBL148319 | 795 | 0 | None | -70 | 13 | Human | 6.0 | pKi | None | 6 | Binding | Guide to Pharmacology | 350 | 10 | 3 | 3 | 4.1 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)C[C@H]2[C@@H]1C/C(=C\CCCC(=O)O)/C2)O | 10634944 | |||
| 1934 | 2090 | 0 | None | -63 | 3 | Mouse | 6.0 | pKi | None | 6 | Binding | Guide to Pharmacology | 350 | 11 | 3 | 3 | 4.1 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)C[C@H]2[C@@H]1CC(=C2)CCCCC(=O)O)O | 9313928 | |||
| 5311244 | 2090 | 0 | None | -63 | 3 | Mouse | 6.0 | pKi | None | 6 | Binding | Guide to Pharmacology | 350 | 11 | 3 | 3 | 4.1 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)C[C@H]2[C@@H]1CC(=C2)CCCCC(=O)O)O | 9313928 | |||
| CHEMBL4522827 | 2090 | 0 | None | -63 | 3 | Mouse | 6.0 | pKi | None | 6 | Binding | Guide to Pharmacology | 350 | 11 | 3 | 3 | 4.1 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)C[C@H]2[C@@H]1CC(=C2)CCCCC(=O)O)O | 9313928 | |||
| 1912 | 26 | 0 | None | -213 | 6 | Rat | 6.1 | pKi | None | 6.1 | Binding | Guide to Pharmacology | 386 | 11 | 3 | 4 | 3.3 | OC(=O)CCC/C=C\C[C@H]1C(=O)C[C@H]([C@@H]1/C=C/[C@H](CCc1ccccc1)O)O | 9537820 | |||
| 5283068 | 26 | 0 | None | -213 | 6 | Rat | 6.1 | pKi | None | 6.1 | Binding | Guide to Pharmacology | 386 | 11 | 3 | 4 | 3.3 | OC(=O)CCC/C=C\C[C@H]1C(=O)C[C@H]([C@@H]1/C=C/[C@H](CCc1ccccc1)O)O | 9537820 | |||
| CHEMBL1879970 | 26 | 0 | None | -213 | 6 | Rat | 6.1 | pKi | None | 6.1 | Binding | Guide to Pharmacology | 386 | 11 | 3 | 4 | 3.3 | OC(=O)CCC/C=C\C[C@H]1C(=O)C[C@H]([C@@H]1/C=C/[C@H](CCc1ccccc1)O)O | 9537820 | |||
| 1930 | 3333 | 25 | None | -999 | 3 | Mouse | 6.2 | pKi | None | 6.2 | Binding | Guide to Pharmacology | 450 | 13 | 2 | 7 | 2.9 | COCc1cccc(c1)C[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCSCCCC(=O)OC)O | 11917107 | |||
| 9803828 | 3333 | 25 | None | -999 | 3 | Mouse | 6.2 | pKi | None | 6.2 | Binding | Guide to Pharmacology | 450 | 13 | 2 | 7 | 2.9 | COCc1cccc(c1)C[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCSCCCC(=O)OC)O | 11917107 | |||
| CHEMBL303960 | 3333 | 25 | None | -999 | 3 | Mouse | 6.2 | pKi | None | 6.2 | Binding | Guide to Pharmacology | 450 | 13 | 2 | 7 | 2.9 | COCc1cccc(c1)C[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCSCCCC(=O)OC)O | 11917107 | |||
| DB16315 | 3333 | 25 | None | -999 | 3 | Mouse | 6.2 | pKi | None | 6.2 | Binding | Guide to Pharmacology | 450 | 13 | 2 | 7 | 2.9 | COCc1cccc(c1)C[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCSCCCC(=O)OC)O | 11917107 | |||
| 119461 | 320 | 72 | None | -1 | 10 | Rat | 6.3 | pKi | None | 6.3 | Binding | Guide to Pharmacology | 298 | 3 | 1 | 4 | 3.4 | CC(Oc1ccc2c(c1)oc1c(c2=O)cc(cc1)C(=O)O)C | 9537820 | |||
| 1896 | 320 | 72 | None | -1 | 10 | Rat | 6.3 | pKi | None | 6.3 | Binding | Guide to Pharmacology | 298 | 3 | 1 | 4 | 3.4 | CC(Oc1ccc2c(c1)oc1c(c2=O)cc(cc1)C(=O)O)C | 9537820 | |||
| CHEMBL1317823 | 320 | 72 | None | -1 | 10 | Rat | 6.3 | pKi | None | 6.3 | Binding | Guide to Pharmacology | 298 | 3 | 1 | 4 | 3.4 | CC(Oc1ccc2c(c1)oc1c(c2=O)cc(cc1)C(=O)O)C | 9537820 | |||
| 119461 | 320 | 72 | None | 1 | 10 | Mouse | 6.5 | pKi | None | 6.5 | Binding | Guide to Pharmacology | 298 | 3 | 1 | 4 | 3.4 | CC(Oc1ccc2c(c1)oc1c(c2=O)cc(cc1)C(=O)O)C | 9313928 | |||
| 1896 | 320 | 72 | None | 1 | 10 | Mouse | 6.5 | pKi | None | 6.5 | Binding | Guide to Pharmacology | 298 | 3 | 1 | 4 | 3.4 | CC(Oc1ccc2c(c1)oc1c(c2=O)cc(cc1)C(=O)O)C | 9313928 | |||
| CHEMBL1317823 | 320 | 72 | None | 1 | 10 | Mouse | 6.5 | pKi | None | 6.5 | Binding | Guide to Pharmacology | 298 | 3 | 1 | 4 | 3.4 | CC(Oc1ccc2c(c1)oc1c(c2=O)cc(cc1)C(=O)O)C | 9313928 | |||
| 1928 | 317 | 0 | None | -3 | 3 | Mouse | 6.6 | pKi | None | 6.6 | Binding | Guide to Pharmacology | 388 | 13 | 2 | 3 | 5.8 | CCCCCC(c1ccc(cc1)C1CCC(=O)C1CCCCCCC(=O)O)O | 9313928 | |||
| 5310998 | 317 | 0 | None | -3 | 3 | Mouse | 6.6 | pKi | None | 6.6 | Binding | Guide to Pharmacology | 388 | 13 | 2 | 3 | 5.8 | CCCCCC(c1ccc(cc1)C1CCC(=O)C1CCCCCCC(=O)O)O | 9313928 | |||
| 1947 | 28 | 0 | None | -5 | 3 | Rat | 6.8 | pKi | None | 6.8 | Binding | Guide to Pharmacology | 368 | 12 | 4 | 5 | 2.2 | O[C@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)CCC[C@H](O)C | 9537820 | |||
| 5283038 | 28 | 0 | None | -5 | 3 | Rat | 6.8 | pKi | None | 6.8 | Binding | Guide to Pharmacology | 368 | 12 | 4 | 5 | 2.2 | O[C@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)CCC[C@H](O)C | 9537820 | |||
| 1892 | 747 | 20 | None | 2 | 9 | Rat | 7.2 | pKi | None | 7.2 | Binding | Guide to Pharmacology | 394 | 13 | 3 | 4 | 4.3 | CCCC1(CCC1)[C@H](C/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | 9537820 | |||
| 25886893 | 747 | 20 | None | 2 | 9 | Rat | 7.2 | pKi | None | 7.2 | Binding | Guide to Pharmacology | 394 | 13 | 3 | 4 | 4.3 | CCCC1(CCC1)[C@H](C/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | 9537820 | |||
| CHEMBL1628262 | 747 | 20 | None | 2 | 9 | Rat | 7.2 | pKi | None | 7.2 | Binding | Guide to Pharmacology | 394 | 13 | 3 | 4 | 4.3 | CCCC1(CCC1)[C@H](C/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | 9537820 | |||
| 1925 | 7 | 0 | None | -39 | 6 | Mouse | 7.3 | pKi | None | 7.3 | Binding | Guide to Pharmacology | 338 | 13 | 2 | 3 | 4.5 | CCCCC[C@@H](/C=C/[C@H]1CCC(=O)[C@@H]1CCCCCCC(=O)O)O | 9313928 | |||
| 5283055 | 7 | 0 | None | -39 | 6 | Mouse | 7.3 | pKi | None | 7.3 | Binding | Guide to Pharmacology | 338 | 13 | 2 | 3 | 4.5 | CCCCC[C@@H](/C=C/[C@H]1CCC(=O)[C@@H]1CCCCCCC(=O)O)O | 9313928 | |||
| CHEMBL3246389 | 7 | 0 | None | -39 | 6 | Mouse | 7.3 | pKi | None | 7.3 | Binding | Guide to Pharmacology | 338 | 13 | 2 | 3 | 4.5 | CCCCC[C@@H](/C=C/[C@H]1CCC(=O)[C@@H]1CCCCCCC(=O)O)O | 9313928 | |||
| 1925 | 7 | 0 | None | -25 | 6 | Rat | 7.5 | pKi | None | 7.5 | Binding | Guide to Pharmacology | 338 | 13 | 2 | 3 | 4.5 | CCCCC[C@@H](/C=C/[C@H]1CCC(=O)[C@@H]1CCCCCCC(=O)O)O | 9537820 | |||
| 5283055 | 7 | 0 | None | -25 | 6 | Rat | 7.5 | pKi | None | 7.5 | Binding | Guide to Pharmacology | 338 | 13 | 2 | 3 | 4.5 | CCCCC[C@@H](/C=C/[C@H]1CCC(=O)[C@@H]1CCCCCCC(=O)O)O | 9537820 | |||
| CHEMBL3246389 | 7 | 0 | None | -25 | 6 | Rat | 7.5 | pKi | None | 7.5 | Binding | Guide to Pharmacology | 338 | 13 | 2 | 3 | 4.5 | CCCCC[C@@H](/C=C/[C@H]1CCC(=O)[C@@H]1CCCCCCC(=O)O)O | 9537820 | |||
| 1935 | 2541 | 0 | None | -3 | 3 | Human | 7.5 | pKi | None | 7.5 | Binding | Guide to Pharmacology | 368 | 13 | 3 | 4 | 3.9 | CCCCC(C/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)(O)C | 10634944 | |||
| 6436406 | 2541 | 0 | None | -3 | 3 | Human | 7.5 | pKi | None | 7.5 | Binding | Guide to Pharmacology | 368 | 13 | 3 | 4 | 3.9 | CCCCC(C/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)(O)C | 10634944 | |||
| CHEMBL1201377 | 2541 | 0 | None | -3 | 3 | Human | 7.5 | pKi | None | 7.5 | Binding | Guide to Pharmacology | 368 | 13 | 3 | 4 | 3.9 | CCCCC(C/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)(O)C | 10634944 | |||
| 1926 | 24 | 0 | None | -8 | 3 | Mouse | 7.8 | pKi | None | 7.8 | Binding | Guide to Pharmacology | 380 | 12 | 3 | 4 | 3.9 | CCCCC([C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O)(C)C | 9313928 | |||
| 5283066 | 24 | 0 | None | -8 | 3 | Mouse | 7.8 | pKi | None | 7.8 | Binding | Guide to Pharmacology | 380 | 12 | 3 | 4 | 3.9 | CCCCC([C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O)(C)C | 9313928 | |||
| CHEMBL1221529 | 24 | 0 | None | -8 | 3 | Mouse | 7.8 | pKi | None | 7.8 | Binding | Guide to Pharmacology | 380 | 12 | 3 | 4 | 3.9 | CCCCC([C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O)(C)C | 9313928 | |||