Ligand source activities (1 row/activity)
Ligands (move mouse cursor over ligand name to see structure) | Receptor | Activity | Chemical information | ||||||||||||||||||
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Sel. page | 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 |
145971909 | 164698 | 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 | 164698 | 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 | 163706 | 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 | 163706 | 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 | 139474 | 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 | 139474 | 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 | 163750 | 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 | 163750 | 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 | 139402 | 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 | 139402 | 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 | 152542 | 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 | 152542 | 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 | 153275 | 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 | 153275 | 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 | 139448 | 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 | 139448 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 195900 | 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 | 195900 | 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 | 139424 | 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 | 139424 | 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 | 139319 | 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 | 139319 | 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 | 1603 | 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 | 1603 | 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 | 1603 | 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 | 1603 | 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 | 164361 | 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 | 164361 | 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 | 163838 | 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 | 163838 | 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 | 140320 | 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 | 140320 | 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 | 139417 | 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 | 139417 | 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 | 149599 | 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 | 149599 | 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 | 137250 | 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 | 137250 | 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 | 139488 | 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 | 139488 | 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 | 139427 | 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 | 139427 | 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 | 139361 | 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 | 139361 | 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 | 139361 | 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 | 139361 | 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 | 140292 | 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 | 140292 | 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 | 151443 | 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 | 151443 | 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 | 144111 | 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 | 144111 | 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 | 194921 | 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 | 194921 | 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 | 164005 | 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 | 164005 | 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 | 2924 | 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 | 2924 | 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 | 2924 | 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 | 140305 | 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 | 140305 | 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 | 142791 | 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 | 142791 | 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 | 146278 | 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 | 146278 | 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 | 152542 | 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 | 152542 | 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 | 153275 | 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 | 153275 | 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 | 171727 | 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 | 171727 | 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 | 152542 | 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 | 152542 | 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 | 139497 | 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 | 139497 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 140209 | 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 | 140209 | 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 | 145683 | 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 | 145683 | 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 | 143689 | 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 | 143689 | 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 | 152894 | 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 | 152894 | 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 | 2942 | 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 | 2942 | 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 | 2942 | 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 | 146283 | 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 | 146283 | 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 | 153368 | 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 | 153368 | 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 | 147536 | 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 | 147536 | 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 | 195974 | 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 | 195974 | 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 | 151270 | 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 | 151270 | 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 | 176367 | 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 | 176367 | 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 | 176367 | 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 | 139377 | 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 | 139377 | 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 | 154354 | 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 | 154354 | 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 | 203232 | 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 | 203232 | 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 | 142748 | 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 | 142748 | 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 | 151002 | 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 | 151002 | 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 | 139464 | 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 | 139464 | 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 | 143582 | 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 | 143582 | 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 | 176680 | 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 | 176680 | 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 | 176680 | 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 | 176530 | 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 | 176530 | 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 | 176530 | 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 | 144372 | 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 | 144372 | 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 | 144434 | 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 | 144434 | 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 | 144434 | 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 | 144434 | 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 | 143973 | 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 | 143973 | 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 | 143689 | 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 | 143689 | 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 | 153884 | 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 | 153884 | 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 | 139383 | 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 | 139383 | 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 | 139383 | 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 | 139383 | 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 | 140223 | 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 | 140223 | 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 | 140242 | 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 | 140242 | 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 | 176211 | 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 | 176211 | 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 | 152584 | 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 | 152584 | 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 | 148942 | 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 | 148942 | 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 | 100884 | 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 | 100884 | 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 | 94226 | 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 | 94226 | 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 | 195381 | 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 | 195381 | 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 | 144689 | 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 | 144689 | 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 | 144689 | 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 | 144689 | 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 | 140219 | 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 | 140219 | 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 | 149276 | 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 | 149276 | 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 | 75165 | 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 | 75165 | 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 | 203203 | 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 | 203203 | 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 | 149201 | 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 | 149201 | 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 | 144434 | 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 | 144434 | 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 | 84706 | 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 | 84706 | 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 | 139356 | 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 | 139356 | 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 | 151183 | 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 | 151183 | 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 | 148266 | 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 | 148266 | 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 | 143429 | 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 | 143429 | 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 | 177582 | 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 | 177582 | 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 | 75166 | 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 | 75166 | 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 | 155573 | 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 | 155573 | 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 | 143187 | 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 | 143187 | 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 | 143257 | 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 | 143257 | 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 | 145226 | 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 | 145226 | 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 | 145943 | 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 | 145943 | 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 | 149892 | 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 | 149892 | 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 | 150369 | 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 | 150369 | 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 | 94457 | 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 | 94457 | 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 | 146278 | 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 | 146278 | 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 | 146278 | 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 | 146278 | 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 | 148304 | 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 | 148304 | 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 | 152558 | 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 | 152558 | 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 | 75167 | 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 | 75167 | 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 | 153709 | 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 | 153709 | 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 | 154342 | 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 | 154342 | 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 | 1603 | 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 | 1603 | 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 | 1603 | 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 | 1603 | 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 | 142778 | 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 | 142778 | 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 | 142904 | 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 | 142904 | 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 | 147386 | 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 | 147386 | 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 | 142531 | 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 | 142531 | 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 | 171402 | 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 | 171402 | 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 | 143637 | 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 | 143637 | 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 | 143864 | 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 | 143864 | 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 | 151902 | 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 | 151902 | 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 | 71304 | 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 | 71304 | 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 | 84706 | 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 | 84706 | 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 | 71304 | 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 | 71304 | 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 | 145981 | 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 | 145981 | 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 | 145981 | 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 | 145981 | 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 | 95560 | 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 | 95560 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 176475 | 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 | 176475 | 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 | 176475 | 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 | 94525 | 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 | 94525 | 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 | 139359 | 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 | 139359 | 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 | 144110 | 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 | 144110 | 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 | 164397 | 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 | 164397 | 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 | 176326 | 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 | 176326 | 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 | 176326 | 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 | 145893 | 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 | 145893 | 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 | 146111 | 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 | 146111 | 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 | 148795 | 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 | 148795 | 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 | 150476 | 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 | 150476 | 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 | 164120 | 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 | 164120 | 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 | 203308 | 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 | 203308 | 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 | 139467 | 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 | 139467 | 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 | 194920 | 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 | 194920 | 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 | 176544 | 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 | 176544 | 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 | 176544 | 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 | 3079 | 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 | ||
149351 | 3079 | 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 | 3079 | 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 | 3079 | 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 | 3079 | 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 | 3079 | 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 | 176260 | 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 | 176260 | 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 | 176260 | 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 | 176518 | 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 | 176518 | 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 | 176518 | 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 | 176496 | 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 | 176496 | 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 | 176496 | 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 | 203170 | 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 | 203170 | 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 | 139415 | 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 | 139415 | 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 | 153275 | 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 | 153275 | 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 | 195096 | 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 | 195096 | 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 | 152785 | 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 | 152785 | 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 | 187462 | 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 | 187462 | 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 | 187462 | 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 | ||
DB01088 | 187462 | 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 | 143272 | 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 | 143272 | 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 | 152978 | 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 | 152978 | 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 | 152978 | 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 | 152978 | 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 | 146406 | 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 | 146406 | 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 | 146406 | 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 | 146406 | 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 | 146458 | 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 | 146458 | 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 | 101033 | 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 | 101033 | 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 | 94487 | 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 | 94487 | 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 | 151183 | 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 | 151183 | 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 | 151472 | 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 | 151472 | 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 | 150589 | 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 | 150589 | 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 | 151658 | 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 | 151658 | 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 | 154420 | 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 | 154420 | 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 | 139410 | 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 | 139410 | 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 | 140297 | 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 | 140297 | 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 | 151590 | 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 | 151590 | 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 | 95725 | 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 | 95725 | 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 | 143167 | 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 | 143167 | 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 | 147193 | 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 | 147193 | 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 | 151736 | 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 | 151736 | 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 | 144394 | 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 | 144394 | 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 | 71305 | 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 | 71305 | 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 | 71305 | 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 | 71305 | 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 | 151001 | 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 | 151001 | 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 | 153122 | 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 | 153122 | 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 | 154337 | 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 | 154337 | 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 | 140232 | 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 | 140232 | 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 | 144600 | 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 | 144600 | 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 | 144959 | 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 | 144959 | 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 | 75168 | 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 | 75168 | 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 | 144394 | 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 | 144394 | 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 | 140247 | 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 | 140247 | 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 | 142603 | 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 | 142603 | 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 | 147624 | 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 | 147624 | 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 | 147241 | 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 | 147241 | 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 | 176380 | 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 | 176380 | 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 | 176380 | 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 | 59693 | 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 | 59693 | 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 | 171687 | 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 | 171687 | 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 | 97865 | 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 | 97865 | 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 | 144110 | 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 | 144110 | 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 | 145710 | 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 | 145710 | 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 | 147024 | 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 | 147024 | 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 | 147836 | 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 | 147836 | 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 | 152274 | 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 | 152274 | 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 | 153938 | 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 | 153938 | 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 | 140272 | 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 | 140272 | 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 | 176261 | 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 | 176261 | 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 | 176261 | 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 | 140253 | 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 | 140253 | 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 | 140268 | 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 | 140268 | 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 | 139414 | 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 | 139414 | 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 | 139418 | 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 | 139418 | 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 | 139414 | 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 | 139414 | 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 | 140224 | 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 | 140224 | 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 | 153153 | 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 | 153153 | 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 | 176503 | 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 | 176503 | 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 | 176503 | 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 | 151167 | 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 | 151167 | 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 | 164228 | 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 | 164228 | 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 | 145981 | 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 | 145981 | 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 | 144679 | 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 | 144679 | 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 | 203271 | 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 | 203271 | 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 | 75285 | 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 | 75285 | 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 | 153785 | 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 | 153785 | 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 | 168072 | 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 | 168072 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 152752 | 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 | 152752 | 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 | 147430 | 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 | 147430 | 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 | 195097 | 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 | 195097 | 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 | 163889 | 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 | 163889 | 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 | 146559 | 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 | 146559 | 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 | 151696 | 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 | 151696 | 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 | 150657 | 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 | 150657 | 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 | 94488 | 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 | 94488 | 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 | 176368 | 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 | 176368 | 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 | 176368 | 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 | 142804 | 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 | 142804 | 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 | 145175 | 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 | 145175 | 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 | 153368 | 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 | 153368 | 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 | 176598 | 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 | 176598 | 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 | 176598 | 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 | 148452 | 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 | 148452 | 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 | 151850 | 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 | 151850 | 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 | 75162 | 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 | 75162 | 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 | 146757 | 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 | 146757 | 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 | 147193 | 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 | 147193 | 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 | 147193 | 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 | 147193 | 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 | 168180 | 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 | 168180 | 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 | 152049 | 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 | 152049 | 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 | 144420 | 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 | 144420 | 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 | 94254 | 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 | 94254 | 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 | 148266 | 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 | 148266 | 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 | 152752 | 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 | 152752 | 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 | 144278 | 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 | 144278 | 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 | 176348 | 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 | 176348 | 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 | 176348 | 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 | 176533 | 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 | 176533 | 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 | 176533 | 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 | 171129 | 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 | 171129 | 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 | 150749 | 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 | 150749 | 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 | 195950 | 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 | 195950 | 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 | 147355 | 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 | 147355 | 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 | 147355 | 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 | 147355 | 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 | 195196 | 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 | 195196 | 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 | 195562 | 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 | 195562 | 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 | 144600 | 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 | 144600 | 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 | 144600 | 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 | 144600 | 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 | 151208 | 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 | 151208 | 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 | 170535 | 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 | 170535 | 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 | 100815 | 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 | 100815 | 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 | 97864 | 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 | 97864 | 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 | 196339 | 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 | 196339 | 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 | 142603 | 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 | 142603 | 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 | 142603 | 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 | 142603 | 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 | 176433 | 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 | 176433 | 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 | 176433 | 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 | 145839 | 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 | 145839 | 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 | 102621 | 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 | 102621 | 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 | 149885 | 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 | 149885 | 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 | 195860 | 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 | 195860 | 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 | 78216 | 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 | 78216 | 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 | 75163 | 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 | 75163 | 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 | 177076 | 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 | 177076 | 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 | 195639 | 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 | 195639 | 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 | 145188 | 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 | 145188 | 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 | 143789 | 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 | 143789 | 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 | 143314 | 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 | 143314 | 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 | 149599 | 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 | 149599 | 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 | 149599 | 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 | 149599 | 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 | 148143 | 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 | 148143 | 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 | 148663 | 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 | 148663 | 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 | 140298 | 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 | 140298 | 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 | 69472 | 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 | 69472 | 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 | 176652 | 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 | 176652 | 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 | 176652 | 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 | 148666 | 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 | 148666 | 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 | 94136 | 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 | 94136 | 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 | 143524 | 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 | 143524 | 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 | 145065 | 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 | 145065 | 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 | 145421 | 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 | 145421 | 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 | 149700 | 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 | 149700 | 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 | 150943 | 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 | 150943 | 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 | 151428 | 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 | 151428 | 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 | 144689 | 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 | 144689 | 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 | 145591 | 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 | 145591 | 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 | 146832 | 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 | 146832 | 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 | 146072 | 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 | 146072 | 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 | 146102 | 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 | 146102 | 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 | 144766 | 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 | 144766 | 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 | 203215 | 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 | 203215 | 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 | 146480 | 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 | 146480 | 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 | 147355 | 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 | 147355 | 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 | 139322 | 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 | 139322 | 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 | 148080 | 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 | 148080 | 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 | 144277 | 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 | 144277 | 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 | 195643 | 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 | 195643 | 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 | 151208 | 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 | 151208 | 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 | 202933 | 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 | 202933 | 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 | 195981 | 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 | 195981 | 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 | 94096 | 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 | 94096 | 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 | 151906 | 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 | 151906 | 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 | 176299 | 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 | 176299 | 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 | 176299 | 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 | 3852 | 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 | 3852 | 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 | 3852 | 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 | 3852 | 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 | 3852 | 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 | 140258 | 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 | 140258 | 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 | 164626 | 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 | 164626 | 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 | 2942 | 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 | 2942 | 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 | 2942 | 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 | 176532 | 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 | 176532 | 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 | 176532 | 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 | 152641 | 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 | 152641 | 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 | 152664 | 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 | 152664 | 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 | 176479 | 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 | 176479 | 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 | 176479 | 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 | 149434 | 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 | 149434 | 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 | 140211 | 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 | 140211 | 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 | 150587 | 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 | 150587 | 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 | 140204 | 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 | 140204 | 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 | 146454 | 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 | 146454 | 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 | 102350 | 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 | 102350 | 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 | 144881 | 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 | 144881 | 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 | 143886 | 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 | 143886 | 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 | 143886 | 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 | 143886 | 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 | 151352 | 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 | 151352 | 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 | 2195 | 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 | 2195 | 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 | 2195 | 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 | 152215 | 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 | 152215 | 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 | 176651 | 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 | 176651 | 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 | 176651 | 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 | 144269 | 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 | 144269 | 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 | 144372 | 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 | 144372 | 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 | 144372 | 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 | 144372 | 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 | 150022 | 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 | 150022 | 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 | 146255 | 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 | 146255 | 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 | 152894 | 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 | 152894 | 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 | 1011 | 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 | 1011 | 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 | 1011 | 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 | 146406 | 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 | 146406 | 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 | 152978 | 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 | 152978 | 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 | 142791 | 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 | 142791 | 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 | 142791 | 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 | 142791 | 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 | 148737 | 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 | 148737 | 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 | 150977 | 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 | 150977 | 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 | 144269 | 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 | 144269 | 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 | 144394 | 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 | 144394 | 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 | 153709 | 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 | 153709 | 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 | 94457 | 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 | 94457 | 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 | 153080 | 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 | 153080 | 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 | 176447 | 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 | 176447 | 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 | 176447 | 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 | 149005 | 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 | 149005 | 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 | 75286 | 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 | 75286 | 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 | 196317 | 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 | 196317 | 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 | 140220 | 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 | 140220 | 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 | 151167 | 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 | 151167 | 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 | 147210 | 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 | 147210 | 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 | 152886 | 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 | 152886 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 69469 | 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 | 69469 | 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 | 69469 | 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 | 69469 | 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 | 176339 | 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 | 176339 | 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 | 176339 | 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 | 164486 | 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 | 164486 | 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 | 145647 | 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 | 145647 | 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 | 195043 | 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 | 195043 | 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 | 149092 | 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 | 149092 | 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 | 121645 | 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 | 121645 | 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 | 121611 | 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 | 121611 | 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 | 121621 | 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 | 121621 | 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 | 121636 | 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 | 121636 | 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 | 121600 | 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 | 121600 | 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 | 121615 | 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 | 121615 | 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 | 121601 | 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 | 121601 | 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 | 121620 | 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 | 121620 | 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 | 3792 | 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 | 3792 | 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 | 3792 | 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 | 121617 | 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 | 121617 | 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 | 121629 | 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 | 121629 | 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 | 121642 | 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 | 121642 | 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 | 121644 | 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 | 121644 | 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 | 121614 | 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 | 121614 | 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 | 121623 | 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 | 121623 | 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 | 121637 | 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 | 121637 | 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 | 121643 | 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 | 121643 | 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 | 121596 | 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 | 121596 | 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 | 121597 | 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 | 121597 | 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 | 121622 | 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 | 121622 | 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 | 121625 | 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 | 121625 | 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 | 121633 | 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 | 121633 | 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 | 121643 | 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 | 121643 | 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 | 121630 | 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 | 121630 | 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 | 121627 | 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 | 121627 | 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 | 121612 | 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 | 121612 | 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 | 121643 | 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 | 121643 | 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 | 121602 | 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 | 121602 | 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 | 121631 | 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 | 121631 | 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 | 121596 | 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 | 121596 | 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 | 121596 | 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 | 121596 | 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 | 121619 | 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 | 121619 | 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 | 121626 | 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 | 121626 | 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 | 121599 | 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 | 121599 | 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 | 121598 | 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 | 121598 | 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 | 121624 | 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 | 121624 | 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 | 40694 | 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 | 40694 | 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 | 9911 | 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 | 9911 | 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 | 121984 | 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 | 121984 | 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 | 3540 | 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 | 3540 | 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 | 3540 | 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 | 165401 | 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 | 165401 | 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 | 57541 | 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 | 57541 | 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 | 120083 | 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 | 120083 | 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 | 57225 | 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 | 57225 | 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 | 199226 | 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 | 199226 | 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 | 3079 | 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 | ||
149351 | 3079 | 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 | 3079 | 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 | 3079 | 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 | 3079 | 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 | 3079 | 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 | 167444 | 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 | 167444 | 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 | ||
DB15071 | 167444 | 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 | 1603 | 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 | 1603 | 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 | 1603 | 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 | 1603 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 1603 | 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 | 1603 | 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 | 1603 | 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 | 1603 | 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 | 3751 | 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 | 3751 | 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 | 3751 | 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 | 3751 | 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 | 3751 | 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 | 3751 | 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 | 3751 | 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 | 3751 | 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 | 3794 | 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 | 3794 | 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 | 3794 | 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 | 3794 | 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 | 3790 | 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 | 3790 | 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 | 3790 | 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 | 3792 | 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 | 3792 | 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 | 3792 | 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 | 3059 | 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 | 3059 | 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 | 3059 | 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 | 3059 | 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 | 3059 | 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 | 3059 | 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 | 3059 | 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 | 3059 | 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 | 3059 | 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 | 3059 | 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 | 3059 | 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 | 3059 | 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 | 3061 | 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 | 3061 | 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 | 3061 | 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 | 3793 | 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 | 3793 | 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 | 3791 | 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 | 3791 | 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 | 3791 | 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 | Activity | 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 | 152542 | 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 | 152542 | 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 | 137558 | 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 | 137558 | 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 | 149599 | 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 | 149599 | 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 | 137291 | 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 | 137291 | 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 | 142791 | 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 | 142791 | 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 | 153275 | 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 | 153275 | 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 | 146278 | 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 | 146278 | 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 | 2940 | 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 | 2940 | 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 | 2940 | 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 | 143915 | 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 | 143915 | 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 | 152188 | 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 | 152188 | 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 | 140320 | 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 | 140320 | 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 | 144372 | 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 | 144372 | 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 | 143774 | 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 | 143774 | 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 | 144434 | 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 | 144434 | 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 | 153031 | 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 | 153031 | 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 | 151472 | 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 | 151472 | 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 | 149362 | 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 | 149362 | 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 | 202858 | 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 | 202858 | 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 | 137449 | 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 | 137449 | 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 | 143048 | 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 | 143048 | 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 | 137466 | 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 | 137466 | 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 | 142603 | 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 | 142603 | 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 | 146580 | 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 | 146580 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 139319 | 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 | 139319 | 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 | 139448 | 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 | 139448 | 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 | 3751 | 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 | 3751 | 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 | 3751 | 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 | 3751 | 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 | 137250 | 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 | 137250 | 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 | 137392 | 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 | 137392 | 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 | 140272 | 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 | 140272 | 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 | 150589 | 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 | 150589 | 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 | 137399 | 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 | 137399 | 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 | 147193 | 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 | 147193 | 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 | 144600 | 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 | 144600 | 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 | 144689 | 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 | 144689 | 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 | 142603 | 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 | 142603 | 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 | 137480 | 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 | 137480 | 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 | 139424 | 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 | 139424 | 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 | 203170 | 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 | 203170 | 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 | 145981 | 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 | 145981 | 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 | 746 | 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 | 746 | 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 | 746 | 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 | 145732 | 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 | 145732 | 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 | 97801 | 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 | 97801 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 137298 | 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 | 137298 | 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 | 140219 | 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 | 140219 | 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 | 1603 | 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 | 1603 | 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 | 1603 | 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 | 1603 | 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 | 137294 | 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 | 137294 | 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 | 144689 | 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 | 144689 | 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 | 146832 | 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 | 146832 | 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 | 147355 | 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 | 147355 | 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 | 203308 | 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 | 203308 | 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 | 137518 | 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 | 137518 | 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 | 148401 | 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 | 148401 | 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 | 140292 | 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 | 140292 | 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 | 137473 | 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 | 137473 | 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 | 151984 | 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 | 151984 | 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 | 149955 | 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 | 149955 | 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 | 142916 | 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 | 142916 | 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 | 146406 | 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 | 146406 | 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 | 152978 | 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 | 152978 | 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 | 139361 | 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 | 139361 | 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 | 139361 | 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 | 139361 | 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 | 143083 | 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 | 143083 | 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 | 151850 | 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 | 151850 | 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 | 121643 | 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 | 121643 | 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 | 121643 | 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 | 121643 | 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 | 2924 | 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 | 2924 | 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 | 2924 | 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 | 121601 | 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 | 121601 | 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 | 121609 | 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 | 121609 | 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 | 121611 | 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 | 121611 | 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 | 121629 | 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 | 121629 | 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 | 121596 | 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 | 121596 | 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 | 121596 | 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 | 121596 | 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 | 121603 | 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 | 121603 | 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 | 121618 | 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 | 121618 | 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 | 192648 | 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 | 192648 | 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 | 121623 | 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 | 121623 | 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 | 121632 | 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 | 121632 | 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 | 166096 | 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 | 166096 | 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 | 121616 | 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 | 121616 | 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 | 77048 | 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 | 77048 | 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 | 178648 | 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 | 178648 | 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 | 139658 | 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 | 139658 | 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 | 192615 | 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 | 192615 | 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 | 156276 | 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 | 156276 | 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 | 213999 | 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 | 132508 | 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 | 132508 | 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 | 121641 | 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 | 121641 | 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 | 144766 | 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 | 144766 | 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 | 147988 | 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 | 147988 | 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 | 140907 | 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 | 140907 | 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 | 182933 | 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 | 182933 | 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 | 121635 | 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 | 121635 | 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 | 121633 | 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 | 121633 | 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 | 143083 | 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 | 143083 | 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 | 121613 | 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 | 121613 | 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 | 121615 | 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 | 121615 | 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 | 146255 | 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 | 146255 | 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 | 14903 | 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 | 14903 | 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 | 14903 | 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 | 195043 | 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 | 195043 | 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 | 121638 | 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 | 121638 | 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 | 157420 | 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 | 157420 | 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 | 106264 | 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 | 106264 | 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 | 106264 | 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 | 121606 | 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 | 121606 | 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 | 146102 | 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 | 146102 | 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 | 139604 | 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 | 139604 | 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 | 159316 | 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 | 159316 | 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 | 6179 | 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 | 6179 | 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 | 121645 | 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 | 121645 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 121599 | 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 | 121599 | 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 | 121642 | 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 | 121642 | 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 | 121598 | 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 | 121598 | 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 | 121600 | 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 | 121600 | 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 | 121602 | 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 | 121602 | 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 | 121636 | 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 | 121636 | 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 | 195381 | 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 | 195381 | 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 | 150749 | 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 | 150749 | 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 | 183268 | 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 | 183268 | 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 | 158664 | 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 | 158664 | 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 | 60054 | 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 | 60054 | 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 | 100485 | 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 | 100485 | 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 | 195115 | 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 | 195115 | 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 | 3590 | 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 | 3590 | 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 | 3590 | 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 | 3590 | 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 | 195097 | 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 | 195097 | 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 | 121622 | 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 | 121622 | 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 | 90333 | 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 | 90333 | 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 | 195900 | 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 | 195900 | 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 | 121612 | 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 | 121612 | 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 | 195860 | 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 | 195860 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 121631 | 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 | 121631 | 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 | 121614 | 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 | 121614 | 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 | 121621 | 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 | 121621 | 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 | 121604 | 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 | 121604 | 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 | 121605 | 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 | 121605 | 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 | 121610 | 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 | 121610 | 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 | 196403 | 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 | 196403 | 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 | 195081 | 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 | 195081 | 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 | 195996 | 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 | 195996 | 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 | 154825 | 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 | 154825 | 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 | 195643 | 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 | 195643 | 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 | 196835 | 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 | 196835 | 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 | 158820 | 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 | 158820 | 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 | 153884 | 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 | 153884 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 956 | 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 | 956 | 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 | 956 | 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 | 956 | 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 | 136683 | 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 | 136683 | 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 | 195639 | 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 | 195639 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 121619 | 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 | 121619 | 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 | 121625 | 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 | 121625 | 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 | 121640 | 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 | 121640 | 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 | 1408 | 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 | 1408 | 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 | 1408 | 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 | 167444 | 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 | 167444 | 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 | |||
DB15071 | 167444 | 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 | 152749 | 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 | 152749 | 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 | 186813 | 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 | 186813 | 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 | 158976 | 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 | 158976 | 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 | 182805 | 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 | 182805 | 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 | 138919 | 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 | 138919 | 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 | 138919 | 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 | 138919 | 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 | 196870 | 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 | 196870 | 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 | 152527 | 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 | 152527 | 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 | 130616 | 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 | 130616 | 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 | 195974 | 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 | 195974 | 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 | 3059 | 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 | 3059 | 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 | 3059 | 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 | 3059 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 1603 | 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 | 1603 | 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 | 1603 | 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 | 1603 | 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 | 195562 | 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 | 195562 | 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 | 194920 | 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 | 194920 | 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 | 154337 | 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 | 154337 | 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 | 121628 | 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 | 121628 | 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 | 195502 | 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 | 195502 | 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 | 121624 | 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 | 121624 | 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 | 121607 | 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 | 121607 | 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 | 121608 | 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 | 121608 | 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 | 121639 | 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 | 121639 | 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 | 153080 | 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 | 153080 | 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 | 194921 | 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 | 194921 | 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 | 196317 | 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 | 196317 | 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 | 139248 | 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 | 139248 | 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 | 121620 | 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 | 121620 | 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 | 90337 | 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 | 90337 | 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 | 195981 | 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 | 195981 | 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 | 90357 | 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 | 90357 | 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 | 140882 | 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 | 140882 | 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 | 121596 | 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 | 121596 | 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 | 121597 | 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 | 121597 | 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 | 121617 | 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 | 121617 | 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 | 195950 | 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 | 195950 | 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 | 945 | 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 | 945 | 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 | 945 | 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 | 90358 | 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 | 90358 | 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 | 180520 | 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 | 180520 | 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 | 195096 | 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 | 195096 | 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 | 121643 | 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 | 121643 | 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 | 121644 | 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 | 121644 | 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 | 121626 | 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 | 121626 | 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 | 121637 | 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 | 121637 | 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 | 121627 | 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 | 121627 | 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 | 195196 | 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 | 195196 | 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 | 165971 | 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 | 165971 | 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 | 146454 | 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 | 146454 | 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 | 121630 | 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 | 121630 | 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 | 195949 | 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 | 195949 | 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 | 196339 | 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 | 196339 | 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 | 180521 | 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 | 180521 | 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 | 90336 | 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 | 90336 | 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 | 176698 | 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 | 176698 | 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 | 3059 | 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 | 3059 | 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 | 3059 | 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 | 3059 | 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 | 194108 | 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 | 194007 | 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 | 3061 | 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 | 3061 | 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 | 3061 | 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 | 203170 | 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 | 203170 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 129201 | 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 | 129201 | 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 | 129205 | 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 | 129205 | 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 | 75165 | 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 | 75165 | 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 | 2940 | 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 | 2940 | 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 | 2940 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 71305 | 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 | 71305 | 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 | 71305 | 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 | 71305 | 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 | 129195 | 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 | 129195 | 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 | 3751 | 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 | 3751 | 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 | 3751 | 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 | 3751 | 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 | 153275 | 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 | 153275 | 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 | 125884 | 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 | 125884 | 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 | 100949 | 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 | 100949 | 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 | 100949 | 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 | 100949 | 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 | 95725 | 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 | 95725 | 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 | 203257 | 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 | 203257 | 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 | 206349 | 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 | 206349 | 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 | 144269 | 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 | 144269 | 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 | 81879 | 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 | 81879 | 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 | 203203 | 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 | 203203 | 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 | 97801 | 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 | 97801 | 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 | 16540 | 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 | 16540 | 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 | 97801 | 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 | 97801 | 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 | 64601 | 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 | 64601 | 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 | 202739 | 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 | 202739 | 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 | 69364 | 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 | 69364 | 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 | 200580 | 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 | 200580 | 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 | 161916 | 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 | 161916 | 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 | 206928 | 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 | 206928 | 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 | 151167 | 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 | 151167 | 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 | 142791 | 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 | 142791 | 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 | 142791 | 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 | 142791 | 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 | 144394 | 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 | 144394 | 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 | 201229 | 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 | 201229 | 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 | 100579 | 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 | 100579 | 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 | 84706 | 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 | 84706 | 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 | 199762 | 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 | 199762 | 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 | 201218 | 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 | 201218 | 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 | 102721 | 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 | 102721 | 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 | 200592 | 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 | 200592 | 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 | 165401 | 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 | 165401 | 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 | 106264 | 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 | 106264 | 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 | 106264 | 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 | 174662 | 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 | 174662 | 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 | 153709 | 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 | 153709 | 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 | 94457 | 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 | 94457 | 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 | 152752 | 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 | 152752 | 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 | 69466 | 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 | 69466 | 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 | 69466 | 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 | 69466 | 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 | 143689 | 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 | 143689 | 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 | 129202 | 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 | 129202 | 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 | 168180 | 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 | 168180 | 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 | 69475 | 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 | 69475 | 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 | 84706 | 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 | 84706 | 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 | 123292 | 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 | 123292 | 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 | 127324 | 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 | 127324 | 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 | 200072 | 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 | 200072 | 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 | 207021 | 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 | 207021 | 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 | 153368 | 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 | 153368 | 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 | 94487 | 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 | 94487 | 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 | 2278 | 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 | 2278 | 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 | 2278 | 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 | 2278 | 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 | 2278 | 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 | 151472 | 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 | 151472 | 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 | 151183 | 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 | 151183 | 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 | 203318 | 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 | 203318 | 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 | 206248 | 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 | 206248 | 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 | 16543 | 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 | 16543 | 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 | 16543 | 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 | 16543 | 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 | 137880 | 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 | 137880 | 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 | 69369 | 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 | 69369 | 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 | 149201 | 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 | 149201 | 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 | 102484 | 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 | 102484 | 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 | 102484 | 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 | 111558 | 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 | 111558 | 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 | 95560 | 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 | 95560 | 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 | 144394 | 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 | 144394 | 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 | 163522 | 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 | 163522 | 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 | 152542 | 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 | 152542 | 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 | 69473 | 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 | 69473 | 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 | 152542 | 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 | 152542 | 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 | 75168 | 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 | 75168 | 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 | 170075 | 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 | 170075 | 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 | 16645 | 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 | 16645 | 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 | 203175 | 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 | 203175 | 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 | 199157 | 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 | 199157 | 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 | 102758 | 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 | 102758 | 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 | 145226 | 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 | 145226 | 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 | 145421 | 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 | 145421 | 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 | 145943 | 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 | 145943 | 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 | 153153 | 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 | 153153 | 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 | 106264 | 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 | 106264 | 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 | 106264 | 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 | 106264 | 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 | 106264 | 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 | 106264 | 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 | 200559 | 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 | 200559 | 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 | 1603 | 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 | 1603 | 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 | 1603 | 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 | 1603 | 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 | 168388 | 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 | 168388 | 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 | 84141 | 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 | 84141 | 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 | 96516 | 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 | 96516 | 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 | 205832 | 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 | 205832 | 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 | 146406 | 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 | 146406 | 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 | 146406 | 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 | 146406 | 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 | 144600 | 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 | 144600 | 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 | 144600 | 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 | 144600 | 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 | 64811 | 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 | 64811 | 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 | 16536 | 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 | 16536 | 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 | 66107 | 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 | 66107 | 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 | 125053 | 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 | 125053 | 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 | 69370 | 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 | 69370 | 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 | 75156 | 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 | 75156 | 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 | 63785 | 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 | 63785 | 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 | 94526 | 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 | 94526 | 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 | 14903 | 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 | 14903 | 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 | 14903 | 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 | 152894 | 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 | 152894 | 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 | 16534 | 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 | 16534 | 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 | 171173 | 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 | 171173 | 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 | 199976 | 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 | 199976 | 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 | 159316 | 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 | 159316 | 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 | 154419 | 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 | 154419 | 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 | 142603 | 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 | 142603 | 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 | 69472 | 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 | 69472 | 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 | 69472 | 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 | 69472 | 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 | 153275 | 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 | 153275 | 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 | 71303 | 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 | 71303 | 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 | 2524 | 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 | 2524 | 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 | 2524 | 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 | 143187 | 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 | 143187 | 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 | 75162 | 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 | 75162 | 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 | 75166 | 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 | 75166 | 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 | 203170 | 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 | 203170 | 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 | 129196 | 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 | 129196 | 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 | 100884 | 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 | 100884 | 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 | 65206 | 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 | 65206 | 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 | 206271 | 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 | 206271 | 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 | 65212 | 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 | 65212 | 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 | 75158 | 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 | 75158 | 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 | 200601 | 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 | 200601 | 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 | 147193 | 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 | 147193 | 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 | 147193 | 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 | 147193 | 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 | 154404 | 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 | 154404 | 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 | 97865 | 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 | 97865 | 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 | 75170 | 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 | 75170 | 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 | 64409 | 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 | 64409 | 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 | 66570 | 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 | 66570 | 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 | 206410 | 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 | 206410 | 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 | 64071 | 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 | 64071 | 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 | 65212 | 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 | 65212 | 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 | 83077 | 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 | 83077 | 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 | 83078 | 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 | 83078 | 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 | 75152 | 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 | 75152 | 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 | 199847 | 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 | 199847 | 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 | 100903 | 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 | 100903 | 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 | 111462 | 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 | 111462 | 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 | 3079 | 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 | |||
149351 | 3079 | 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 | 3079 | 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 | 3079 | 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 | 3079 | 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 | 3079 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 71306 | 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 | 71306 | 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 | 71306 | 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 | 71306 | 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 | 75169 | 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 | 75169 | 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 | 75286 | 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 | 75286 | 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 | 64823 | 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 | 64823 | 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 | 84941 | 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 | 84941 | 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 | 94096 | 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 | 94096 | 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 | 168056 | 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 | 168056 | 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 | 177499 | 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 | 177499 | 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 | 144269 | 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 | 144269 | 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 | 19289 | 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 | 19289 | 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 | 143886 | 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 | 143886 | 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 | 143886 | 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 | 143886 | 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 | 144434 | 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 | 144434 | 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 | 144434 | 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 | 144434 | 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 | 75164 | 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 | 75164 | 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 | 141325 | 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 | 141325 | 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 | 141325 | 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 | 141325 | 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 | 17162 | 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 | 17162 | 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 | 64803 | 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 | 64803 | 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 | 106887 | 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 | 106887 | 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 | 207188 | 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 | 207188 | 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 | 155574 | 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 | 155574 | 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 | 75287 | 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 | 75287 | 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 | 59693 | 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 | 59693 | 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 | 69467 | 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 | 69467 | 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 | 69467 | 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 | 69467 | 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 | 97801 | 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 | 97801 | 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 | 168072 | 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 | 168072 | 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 | 141749 | 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 | 141749 | 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 | 94226 | 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 | 94226 | 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 | 203215 | 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 | 203215 | 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 | 148266 | 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 | 148266 | 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 | 66268 | 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 | 66268 | 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 | 64412 | 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 | 64412 | 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 | 16812 | 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 | 16812 | 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 | 16826 | 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 | 16826 | 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 | 106163 | 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 | 106163 | 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 | 16541 | 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 | 16541 | 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 | 16544 | 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 | 16544 | 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 | 16544 | 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 | 16544 | 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 | 83413 | 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 | 83413 | 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 | 84726 | 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 | 84726 | 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 | 84771 | 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 | 84771 | 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 | 84771 | 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 | 84771 | 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 | 102354 | 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 | 102354 | 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 | 97719 | 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 | 97719 | 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 | 97864 | 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 | 97864 | 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 | 202806 | 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 | 202806 | 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 | 101327 | 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 | 101327 | 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 | 128582 | 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 | 128582 | 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 | 144689 | 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 | 144689 | 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 | 205838 | 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 | 205838 | 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 | 66660 | 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 | 66660 | 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 | 64439 | 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 | 64439 | 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 | 206349 | 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 | 206349 | 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 | 143973 | 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 | 143973 | 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 | 94136 | 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 | 94136 | 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 | 75167 | 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 | 75167 | 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 | 122042 | 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 | 122042 | 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 | 203161 | 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 | 203161 | 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 | 136683 | 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 | 136683 | 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 | 201614 | 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 | 201614 | 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 | 145188 | 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 | 145188 | 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 | 94166 | 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 | 94166 | 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 | 154420 | 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 | 154420 | 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 | 202976 | 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 | 202976 | 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 | 16566 | 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 | 16566 | 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 | 18530 | 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 | 18530 | 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 | 106558 | 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 | 106558 | 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 | 206325 | 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 | 206325 | 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 | 206432 | 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 | 206432 | 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 | 16538 | 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 | 16538 | 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 | 66859 | 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 | 66859 | 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 | 172685 | 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 | 172685 | 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 | 120860 | 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 | 120860 | 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 | 120860 | 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 | 69471 | 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 | 69471 | 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 | 69471 | 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 | 69471 | 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 | 71304 | 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 | 71304 | 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 | 71304 | 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 | 71304 | 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 | 129204 | 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 | 129204 | 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 | 203170 | 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 | 203170 | 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 | 2924 | 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 | 2924 | 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 | 2924 | 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 | 129198 | 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 | 129198 | 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 | 129200 | 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 | 129200 | 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 | 203232 | 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 | 203232 | 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 | 155511 | 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 | 155511 | 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 | 106005 | 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 | 106005 | 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 | 93429 | 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 | 93429 | 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 | 43631 | 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 | 43631 | 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 | 9078 | 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 | 9078 | 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 | 94225 | 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 | 94225 | 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 | 146278 | 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 | 146278 | 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 | 146278 | 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 | 146278 | 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 | 141608 | 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 | 141608 | 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 | 64413 | 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 | 64413 | 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 | 203122 | 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 | 203122 | 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 | 202909 | 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 | 202909 | 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 | 107100 | 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 | 107100 | 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 | 35250 | 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 | 35250 | 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 | 153709 | 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 | 153709 | 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 | 153368 | 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 | 153368 | 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 | 69470 | 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 | 69470 | 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 | 69470 | 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 | 69470 | 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 | 178918 | 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 | 178918 | 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 | 150589 | 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 | 150589 | 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 | 126544 | 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 | 126544 | 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 | 101033 | 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 | 101033 | 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 | 64411 | 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 | 64411 | 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 | 66116 | 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 | 66116 | 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 | 202956 | 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 | 202956 | 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 | 200051 | 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 | 200051 | 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 | 56871 | 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 | 56871 | 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 | 202929 | 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 | 202929 | 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 | 64410 | 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 | 64410 | 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 | 84706 | 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 | 84706 | 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 | 161272 | 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 | 161272 | 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 | 152894 | 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 | 152894 | 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 | 137906 | 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 | 137906 | 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 | 16923 | 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 | 16923 | 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 | 75155 | 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 | 75155 | 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 | 64804 | 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 | 64804 | 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 | 16563 | 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 | 16563 | 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 | 168326 | 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 | 168326 | 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 | 34475 | 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 | 34475 | 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 | 143689 | 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 | 143689 | 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 | 202108 | 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 | 202108 | 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 | 202933 | 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 | 202933 | 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 | 64428 | 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 | 64428 | 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 | 116902 | 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 | 116902 | 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 | 85141 | 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 | 85141 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 203308 | 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 | 203308 | 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 | 165891 | 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 | 165891 | 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 | 167941 | 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 | 167941 | 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 | 199446 | 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 | 199446 | 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 | 152978 | 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 | 152978 | 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 | 152978 | 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 | 152978 | 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 | 77043 | 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 | 77043 | 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 | 77043 | 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 | 77043 | 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 | 122614 | 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 | 122614 | 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 | 203240 | 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 | 203240 | 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 | 184283 | 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 | 184283 | 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 | 129199 | 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 | 129199 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 102621 | 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 | 102621 | 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 | 142603 | 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 | 142603 | 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 | 142603 | 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 | 142603 | 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 | 166840 | 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 | 166840 | 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 | 3079 | 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 | |||
149351 | 3079 | 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 | 3079 | 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 | 3079 | 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 | 3079 | 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 | 3079 | 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 | 3079 | 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 | |||
149351 | 3079 | 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 | 3079 | 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 | 3079 | 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 | 3079 | 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 | 3079 | 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 | 127164 | 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 | 127164 | 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 | 166174 | 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 | 166174 | 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 | 69465 | 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 | 69465 | 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 | 69465 | 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 | 69465 | 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 | 16899 | 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 | 16899 | 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 | 63635 | 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 | 63635 | 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 | 101376 | 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 | 101376 | 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 | 69474 | 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 | 69474 | 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 | 178517 | 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 | 178517 | 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 | 101441 | 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 | 101441 | 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 | 94457 | 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 | 94457 | 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 | 81878 | 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 | 81878 | 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 | 102350 | 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 | 102350 | 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 | 200867 | 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 | 200867 | 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 | 170474 | 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 | 170474 | 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 | 64822 | 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 | 64822 | 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 | 155573 | 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 | 155573 | 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 | 124448 | 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 | 124448 | 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 | 163522 | 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 | 163522 | 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 | 16896 | 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 | 16896 | 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 | 113799 | 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 | 113799 | 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 | 149892 | 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 | 149892 | 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 | 201382 | 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 | 201382 | 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 | 146458 | 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 | 146458 | 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 | 69346 | 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 | 69346 | 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 | 123845 | 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 | 123845 | 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 | 84771 | 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 | 84771 | 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 | 203151 | 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 | 203151 | 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 | 206347 | 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 | 206347 | 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 | 2195 | 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 | 2195 | 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 | 2195 | 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 | 1603 | 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 | 1603 | 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 | 1603 | 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 | 1603 | 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 | 64415 | 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 | 64415 | 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 | 143524 | 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 | 143524 | 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 | 145065 | 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 | 145065 | 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 | 149700 | 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 | 149700 | 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 | 150943 | 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 | 150943 | 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 | 151428 | 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 | 151428 | 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 | 144689 | 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 | 144689 | 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 | 144689 | 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 | 144689 | 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 | 151208 | 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 | 151208 | 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 | 84701 | 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 | 84701 | 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 | 64802 | 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 | 64802 | 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 | 66628 | 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 | 66628 | 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 | 8752 | 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 | 8752 | 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 | 16532 | 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 | 16532 | 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 | 64805 | 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 | 64805 | 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 | 203198 | 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 | 203198 | 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 | 144110 | 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 | 144110 | 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 | 95473 | 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 | 95473 | 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 | 66961 | 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 | 66961 | 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 | 66104 | 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 | 66104 | 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 | 82773 | 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 | 82773 | 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 | 94165 | 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 | 94165 | 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 | 16531 | 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 | 16531 | 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 | 171305 | 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 | 171305 | 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 | 75285 | 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 | 75285 | 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 | 154835 | 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 | 154835 | 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 | 94195 | 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 | 94195 | 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 | 147923 | 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 | 147923 | 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 | 165957 | 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 | 165957 | 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 | 199851 | 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 | 199851 | 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 | 145981 | 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 | 145981 | 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 | 145981 | 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 | 145981 | 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 | 169095 | 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 | 169095 | 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 | 173972 | 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 | 173972 | 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 | 206260 | 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 | 206260 | 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 | 2552 | 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 | 2552 | 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 | 2552 | 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 | 201444 | 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 | 201444 | 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 | 161706 | 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 | 161706 | 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 | 125427 | 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 | 125427 | 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 | 94005 | 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 | 94005 | 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 | 94488 | 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 | 94488 | 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 | 64416 | 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 | 64416 | 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 | 143257 | 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 | 143257 | 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 | 150022 | 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 | 150022 | 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 | 94167 | 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 | 94167 | 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 | 112580 | 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 | 112580 | 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 | |||
CHEMBL3919269 | 112580 | 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 | |||
DB12462 | 112580 | 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 | 71300 | 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 | 71300 | 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 | 75153 | 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 | 75153 | 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 | 64812 | 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 | 64812 | 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 | 2942 | 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 | 2942 | 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 | 2942 | 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 | 2942 | 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 | 2942 | 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 | 2942 | 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 | 2942 | 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 | 2942 | 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 | 2942 | 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 | 94137 | 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 | 94137 | 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 | 154834 | 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 | 154834 | 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 | 78623 | 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 | 78623 | 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 | 16535 | 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 | 16535 | 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 | 83147 | 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 | 83147 | 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 | 83148 | 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 | 83148 | 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 | 35065 | 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 | 35065 | 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 | 75288 | 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 | 75288 | 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 | 16533 | 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 | 16533 | 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 | 69365 | 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 | 69365 | 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 | 199700 | 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 | 199700 | 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 | 162757 | 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 | 162757 | 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 | 71297 | 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 | 71297 | 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 | 129197 | 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 | 129197 | 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 | 3059 | 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 | 3059 | 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 | 3059 | 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 | 3059 | 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 | 146283 | 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 | 146283 | 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 | 151696 | 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 | 151696 | 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 | 106901 | 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 | 106901 | 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 | 16537 | 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 | 16537 | 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 | 144881 | 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 | 144881 | 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 | 164369 | 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 | 164369 | 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 | 75157 | 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 | 75157 | 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 | 2552 | 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 | 2552 | 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 | 2552 | 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 | 746 | 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 | 746 | 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 | 746 | 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 | 203271 | 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 | 203271 | 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 | 63875 | 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 | 63875 | 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 | 184527 | 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 | 184527 | 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 | 100873 | 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 | 100873 | 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 | 142748 | 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 | 142748 | 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 | 200560 | 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 | 200560 | 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 | 94006 | 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 | 94006 | 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 | 203150 | 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 | 203150 | 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 | 84716 | 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 | 84716 | 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 | 94254 | 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 | 94254 | 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 | 16545 | 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 | 16545 | 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 | 16545 | 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 | 16545 | 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 | 83226 | 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 | 83226 | 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 | 16791 | 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 | 16791 | 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 | 102839 | 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 | 102839 | 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 | 100734 | 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 | 100734 | 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 | 64292 | 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 | 64292 | 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 | 149599 | 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 | 149599 | 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 | 149599 | 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 | 149599 | 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 | 201530 | 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 | 201530 | 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 | 82777 | 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 | 82777 | 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 | 141562 | 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 | 141562 | 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 | 141658 | 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 | 141658 | 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 | 6836 | 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 | 6836 | 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 | 77989 | 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 | 77989 | 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 | 16557 | 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 | 16557 | 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 | 18033 | 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 | 18033 | 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 | 16557 | 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 | 16557 | 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 | 118069 | 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 | 118069 | 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 | 94196 | 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 | 94196 | 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 | 69468 | 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 | 69468 | 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 | 69468 | 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 | 69468 | 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 | 69345 | 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 | 69345 | 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 | 179046 | 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 | 179046 | 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 | 16531 | 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 | 16531 | 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 | 82993 | 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 | 82993 | 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 | 137861 | 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 | 137861 | 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 | 206406 | 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 | 206406 | 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 | 84135 | 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 | 84135 | 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 | 3079 | 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 | |||
149351 | 3079 | 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 | 3079 | 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 | 3079 | 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 | 3079 | 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 | 3079 | 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 | 16539 | 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 | 16539 | 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 | 83155 | 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 | 83155 | 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 | 141749 | 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 | 141749 | 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 | 59693 | 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 | 59693 | 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 | 94525 | 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 | 94525 | 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 | 66343 | 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 | 66343 | 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 | 129206 | 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 | 129206 | 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 | 75163 | 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 | 75163 | 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 | 69469 | 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 | 69469 | 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 | 69469 | 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 | 69469 | 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 | 69469 | 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 | 69469 | 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 | 129203 | 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 | 129203 | 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 | 127245 | 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 | 127245 | 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 | 201574 | 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 | 201574 | 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 | 71299 | 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 | 71299 | 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 | 100815 | 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 | 100815 | 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 | 94224 | 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 | 94224 | 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 | 199670 | 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 | 199670 | 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 | 200614 | 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 | 200614 | 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 | 142748 | 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 | 142748 | 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 | 153153 | 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 | 153153 | 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 | 63863 | 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 | 63863 | 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 | 84140 | 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 | 84140 | 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 | 144394 | 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 | 144394 | 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 | 125884 | 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 | 125884 | 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 | 125884 | 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 | 125884 | 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 | 64076 | 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 | 64076 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 3079 | 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 | |||
149351 | 3079 | 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 | 3079 | 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 | 3079 | 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 | 3079 | 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 | 3079 | 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 | 216044 | 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 | 15559 | 106 | Functional | -1348 | 31 | 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 | 15559 | 106 | Functional | -35 | 31 | 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 | 15559 | 106 | Functional | -1348 | 31 | 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 | 15559 | 106 | Functional | -35 | 31 | 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 | 97801 | 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 | 97801 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 926 | 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 | 926 | 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 | 926 | 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 | 926 | 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 | 216042 | 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 | 216043 | 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 | 216043 | 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 | 2025 | 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 | 2025 | 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 | 2025 | 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 | 2025 | 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 | 2025 | 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 | 216041 | 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 | 216047 | 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 | 2540 | 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 | 2540 | 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 | 2540 | 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 | 2540 | 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 | 2540 | 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 | 2025 | 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 | 2025 | 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 | 2025 | 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 | 2025 | 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 | 2025 | 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 | 2025 | 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 | 2025 | 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 | 2025 | 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 | 2025 | 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 | 2025 | 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 | 15559 | 106 | Functional | -35 | 31 | 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 | 15559 | 106 | Functional | -35 | 31 | 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 | 15559 | 106 | Functional | -35 | 31 | 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 | 15559 | 106 | Functional | -35 | 31 | 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 | 3576 | 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 | 3576 | 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 | 3576 | 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 | 3576 | 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 | 3576 | 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 | 3081 | 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 | 3081 | 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 | 3081 | 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 | 3081 | 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 | 3081 | 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 | 187462 | 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 | 187462 | 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 | 187462 | 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 | |||
DB01088 | 187462 | 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 | 187462 | 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 | 187462 | 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 | 187462 | 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 | |||
DB01088 | 187462 | 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 | 926 | 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 | 926 | 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 | 926 | 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 | 926 | 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 | 187462 | 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 | 187462 | 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 | 187462 | 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 | |||
DB01088 | 187462 | 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 | 3081 | 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 | 3081 | 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 | 3081 | 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 | 3081 | 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 | 3081 | 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 | 217714 | 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 | 2278 | 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 | 2278 | 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 | 2278 | 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 | 2278 | 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 | 2278 | 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 | 216391 | 0 | None | 125 | 27 | 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 | 15559 | 106 | None | 28 | 31 | 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 | 15559 | 106 | None | 28 | 31 | 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 | 2540 | 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 | 2540 | 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 | 2540 | 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 | 2540 | 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 | 2540 | 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 | 3079 | 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 | |||
149351 | 3079 | 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 | 3079 | 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 | 3079 | 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 | 3079 | 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 | 3079 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 2025 | 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 | 2025 | 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 | 2025 | 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 | 2025 | 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 | 2025 | 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 | 3079 | 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 | |||
149351 | 3079 | 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 | 3079 | 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 | 3079 | 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 | 3079 | 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 | 3079 | 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 | 3852 | 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 | 3852 | 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 | 3852 | 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 | 3852 | 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 | 3852 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 2615 | 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 | 2615 | 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 | 2615 | 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 | 2005 | 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 | 2005 | 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 | 2005 | 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 | 2005 | 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 | 746 | 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 | 746 | 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 | 746 | 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 | 746 | 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 | 746 | 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 | 746 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 3079 | 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 | 3079 | 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 | |||
149351 | 3079 | 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 | |||
149351 | 3079 | 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 | 3079 | 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 | 3079 | 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 | 3079 | 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 | 3079 | 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 | 3079 | 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 | 3079 | 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 | 3079 | 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 | 3079 | 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 | 3079 | 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 | |||
149351 | 3079 | 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 | 3079 | 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 | 3079 | 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 | 3079 | 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 | 3079 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 3080 | 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 | 3085 | 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 | 3085 | 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 | 3852 | 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 | 3852 | 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 | 3852 | 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 | 3852 | 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 | 3852 | 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 | 3852 | 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 | 3852 | 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 | 3852 | 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 | 3852 | 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 | 3852 | 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 | 2924 | 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 | 2924 | 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 | 2924 | 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 | 2940 | 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 | 2940 | 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 | 2940 | 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 | 3898 | 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 | 3898 | 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 | 3898 | 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 | 3898 | 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 | 2540 | 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 | 2540 | 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 | 2540 | 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 | 2540 | 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 | 2540 | 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 | 3077 | 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 | 3077 | 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 | 3077 | 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 | 3077 | 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 | 3077 | 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 | 3898 | 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 | 3898 | 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 | 3898 | 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 | 3898 | 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 | 3077 | 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 | 3077 | 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 | 3077 | 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 | 3077 | 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 | 3077 | 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 | 2944 | 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 | 2944 | 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 | 3081 | 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 | 3081 | 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 | 3081 | 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 | 3081 | 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 | 3081 | 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 | 3081 | 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 | 3081 | 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 | 3081 | 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 | 3081 | 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 | 3081 | 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 | 3081 | 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 | 3081 | 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 | 3081 | 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 | 3081 | 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 | 3081 | 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 | 2462 | 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 | 2462 | 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 | 2462 | 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 | 2462 | 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 | 2005 | 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 | 2005 | 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 | 2005 | 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 | 2005 | 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 | 2941 | 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 | 2941 | 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 | 794 | 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 | 794 | 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 | 794 | 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 | 2005 | 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 | 2005 | 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 | 2005 | 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 | 2005 | 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 | 926 | 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 | 926 | 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 | 926 | 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 | 926 | 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 | 2462 | 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 | 2462 | 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 | 794 | 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 | 794 | 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 | 794 | 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 | 2088 | 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 | 2088 | 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 | 2088 | 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 | 3331 | 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 | 3331 | 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 | 3331 | 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 | 3331 | 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 | 746 | 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 | 746 | 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 | 746 | 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 | 2539 | 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 | 2539 | 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 | 2539 | 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 |