Ligand source activities (1 row/activity)
Ligands | Receptor | Assay information | Chemical information | ||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Sel. page | Common name |
GPCRdb ID | #Vendors | Reference ligand |
Fold selectivity (Potency) |
# tested GPCRs (Potency) |
Species | p-value (-log) |
Type | Activity Relation |
Activity Value |
Assay Type | Assay Description | Source | Mol weight |
Rot Bonds |
H don | H acc | LogP | Smiles | DOI |
145971909 | 164148 | 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 | 164148 | 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 | 163156 | 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 | 163156 | 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 | 138946 | 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 | 138946 | 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 | 163200 | 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 | 163200 | 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 | 138874 | 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 | 138874 | 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 | 152012 | 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 | 152012 | 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 | 152743 | 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 | 152743 | 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 | 138920 | 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 | 138920 | 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 | 3033 | 71 | None | -2 | 10 | 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 | 3033 | 71 | None | -2 | 10 | 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 | 3033 | 71 | None | -2 | 10 | 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 | 3033 | 71 | None | -2 | 10 | 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 | 3033 | 71 | None | -2 | 10 | 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 | 3033 | 71 | None | -2 | 10 | 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 | 194228 | 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 | 194228 | 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 | 138896 | 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 | 138896 | 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 | 138791 | 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 | 138791 | 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 | 1575 | 46 | 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 | 1575 | 46 | 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 | 1575 | 46 | 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 | 1575 | 46 | 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 | 163811 | 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 | 163811 | 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 | 163288 | 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 | 163288 | 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 | 139792 | 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 | 139792 | 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 | 138889 | 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 | 138889 | 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 | 149069 | 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 | 149069 | 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 | 136728 | 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 | 136728 | 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 | 138960 | 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 | 138960 | 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 | 138899 | 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 | 138899 | 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 | 138833 | 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 | 138833 | 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 | 138833 | 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 | 138833 | 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 | 139764 | 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 | 139764 | 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 | 150913 | 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 | 150913 | 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 | 143581 | 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 | 143581 | 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 | 193254 | 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 | 193254 | 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 | 163455 | 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 | 163455 | 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 | 2881 | 20 | 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 | 2881 | 20 | 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 | 2881 | 20 | 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 | 139777 | 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 | 139777 | 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 | 142261 | 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 | 142261 | 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 | 145747 | 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 | 145747 | 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 | 152012 | 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 | 152012 | 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 | 152743 | 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 | 152743 | 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 | 171163 | 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 | 171163 | 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 | 152012 | 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 | 152012 | 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 | 138969 | 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 | 138969 | 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 | 3033 | 71 | None | -6 | 10 | 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 | 3033 | 71 | None | -6 | 10 | 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 | 3033 | 71 | None | -6 | 10 | 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 | 3033 | 71 | None | -6 | 10 | 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 | 3033 | 71 | None | -6 | 10 | 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 | 3033 | 71 | None | -6 | 10 | 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 | 139681 | 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 | 139681 | 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 | 145152 | 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 | 145152 | 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 | 143159 | 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 | 143159 | 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 | 152363 | 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 | 152363 | 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 | 2899 | 1 | 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 | 2899 | 1 | 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 | 2899 | 1 | 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 | 145752 | 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 | 145752 | 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 | 152836 | 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 | 152836 | 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 | 147005 | 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 | 147005 | 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 | 194302 | 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 | 194302 | 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 | 150740 | 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 | 150740 | 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 | 175795 | 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 | 175795 | 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 | 175795 | 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 | 138849 | 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 | 138849 | 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 | 153822 | 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 | 153822 | 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 | 201543 | 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 | 201543 | 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 | 142218 | 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 | 142218 | 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 | 150472 | 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 | 150472 | 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 | 138936 | 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 | 138936 | 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 | 143052 | 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 | 143052 | 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 | 176108 | 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 | 176108 | 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 | 176108 | 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 | 175958 | 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 | 175958 | 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 | 175958 | 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 | 143841 | 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 | 143841 | 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 | 143903 | 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 | 143903 | 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 | 143903 | 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 | 143903 | 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 | 143443 | 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 | 143443 | 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 | 143159 | 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 | 143159 | 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 | 153352 | 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 | 153352 | 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 | 138855 | 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 | 138855 | 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 | 138855 | 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 | 138855 | 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 | 139695 | 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 | 139695 | 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 | 139714 | 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 | 139714 | 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 | 175639 | 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 | 175639 | 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 | 152054 | 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 | 152054 | 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 | 148412 | 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 | 148412 | 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 | 100419 | 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 | 100419 | 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 | 93793 | 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 | 93793 | 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 | 193713 | 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 | 193713 | 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 | 144158 | 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 | 144158 | 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 | 144158 | 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 | 144158 | 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 | 139691 | 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 | 139691 | 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 | 148746 | 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 | 148746 | 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 | 74817 | 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 | 74817 | 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 | 201515 | 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 | 201515 | 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 | 148671 | 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 | 148671 | 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 | 143903 | 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 | 143903 | 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 | 84284 | 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 | 84284 | 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 | 138828 | 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 | 138828 | 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 | 150653 | 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 | 150653 | 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 | 147736 | 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 | 147736 | 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 | 142899 | 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 | 142899 | 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 | 177010 | 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 | 177010 | 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 | 74818 | 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 | 74818 | 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 | 155035 | 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 | 155035 | 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 | 142657 | 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 | 142657 | 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 | 142727 | 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 | 142727 | 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 | 144695 | 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 | 144695 | 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 | 145412 | 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 | 145412 | 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 | 149362 | 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 | 149362 | 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 | 149838 | 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 | 149838 | 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 | 94023 | 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 | 94023 | 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 | 145747 | 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 | 145747 | 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 | 145747 | 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 | 145747 | 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 | 147774 | 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 | 147774 | 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 | 152028 | 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 | 152028 | 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 | 74819 | 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 | 74819 | 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 | 153177 | 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 | 153177 | 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 | 153810 | 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 | 153810 | 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 | 1575 | 46 | 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 | 1575 | 46 | 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 | 1575 | 46 | 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 | 1575 | 46 | 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 | 142248 | 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 | 142248 | 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 | 142374 | 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 | 142374 | 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 | 146855 | 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 | 146855 | 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 | 142001 | 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 | 142001 | 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 | 170838 | 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 | 170838 | 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 | 143107 | 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 | 143107 | 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 | 143334 | 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 | 143334 | 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 | 151372 | 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 | 151372 | 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 | 70962 | 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 | 70962 | 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 | 84284 | 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 | 84284 | 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 | 70962 | 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 | 70962 | 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 | 145450 | 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 | 145450 | 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 | 145450 | 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 | 145450 | 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 | 95118 | 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 | 95118 | 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 | 3033 | 71 | None | -2 | 10 | 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 | 3033 | 71 | None | -2 | 10 | 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 | 3033 | 71 | None | -2 | 10 | 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 | 3033 | 71 | None | -2 | 10 | 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 | 3033 | 71 | None | -2 | 10 | 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 | 3033 | 71 | None | -2 | 10 | 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 | 175903 | 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 | 175903 | 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 | 175903 | 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 | 94091 | 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 | 94091 | 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 | 138831 | 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 | 138831 | 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 | 143580 | 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 | 143580 | 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 | 163847 | 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 | 163847 | 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 | 175754 | 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 | 175754 | 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 | 175754 | 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 | 145362 | 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 | 145362 | 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 | 145580 | 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 | 145580 | 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 | 148265 | 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 | 148265 | 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 | 149945 | 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 | 149945 | 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 | 163570 | 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 | 163570 | 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 | 201619 | 19 | 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 | 201619 | 19 | 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 | 138939 | 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 | 138939 | 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 | 193253 | 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 | 193253 | 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 | 175972 | 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 | 175972 | 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 | 175972 | 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 | 3032 | 84 | None | -1 | 9 | 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 | 3032 | 84 | None | -1 | 9 | 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 | 3032 | 84 | None | -1 | 9 | 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 | 3032 | 84 | None | -1 | 9 | 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 | 3032 | 84 | None | -1 | 9 | 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 | 175688 | 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 | 175688 | 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 | 175688 | 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 | 175946 | 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 | 175946 | 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 | 175946 | 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 | 175924 | 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 | 175924 | 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 | 175924 | 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 | 201482 | 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 | 201482 | 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 | 138887 | 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 | 138887 | 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 | 152743 | 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 | 152743 | 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 | 193428 | 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 | 193428 | 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 | 152255 | 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 | 152255 | 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 | 186881 | 39 | 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 | 186881 | 39 | 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 | 186881 | 39 | 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 | 142742 | 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 | 142742 | 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 | 152447 | 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 | 152447 | 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 | 152447 | 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 | 152447 | 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 | 145875 | 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 | 145875 | 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 | 145875 | 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 | 145875 | 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 | 145927 | 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 | 145927 | 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 | 100566 | 0 | 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 | 100566 | 0 | 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 | 94053 | 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 | 94053 | 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 | 150653 | 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 | 150653 | 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 | 150942 | 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 | 150942 | 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 | 150058 | 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 | 150058 | 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 | 151128 | 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 | 151128 | 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 | 153888 | 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 | 153888 | 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 | 138882 | 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 | 138882 | 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 | 139769 | 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 | 139769 | 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 | 151060 | 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 | 151060 | 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 | 95283 | 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 | 95283 | 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 | 142637 | 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 | 142637 | 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 | 146662 | 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 | 146662 | 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 | 151206 | 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 | 151206 | 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 | 143863 | 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 | 143863 | 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 | 70963 | 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 | 70963 | 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 | 70963 | 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 | 70963 | 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 | 150471 | 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 | 150471 | 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 | 152590 | 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 | 152590 | 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 | 153805 | 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 | 153805 | 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 | 139704 | 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 | 139704 | 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 | 144069 | 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 | 144069 | 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 | 144428 | 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 | 144428 | 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 | 74820 | 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 | 74820 | 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 | 143863 | 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 | 143863 | 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 | 139719 | 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 | 139719 | 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 | 142073 | 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 | 142073 | 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 | 147093 | 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 | 147093 | 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 | 146710 | 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 | 146710 | 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 | 175808 | 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 | 175808 | 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 | 175808 | 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 | 59383 | 20 | 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 | 59383 | 20 | 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 | 171123 | 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 | 171123 | 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 | 97418 | 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 | 97418 | 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 | 143580 | 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 | 143580 | 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 | 145179 | 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 | 145179 | 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 | 146493 | 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 | 146493 | 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 | 147305 | 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 | 147305 | 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 | 151744 | 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 | 151744 | 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 | 153406 | 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 | 153406 | 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 | 139744 | 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 | 139744 | 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 | 175689 | 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 | 175689 | 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 | 175689 | 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 | 139725 | 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 | 139725 | 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 | 139740 | 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 | 139740 | 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 | 138886 | 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 | 138886 | 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 | 138890 | 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 | 138890 | 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 | 138886 | 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 | 138886 | 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 | 139696 | 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 | 139696 | 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 | 152621 | 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 | 152621 | 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 | 175931 | 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 | 175931 | 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 | 175931 | 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 | 150637 | 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 | 150637 | 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 | 163678 | 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 | 163678 | 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 | 145450 | 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 | 145450 | 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 | 144148 | 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 | 144148 | 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 | 201582 | 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 | 201582 | 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 | 74937 | 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 | 74937 | 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 | 153253 | 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 | 153253 | 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 | 167511 | 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 | 167511 | 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 | 3033 | 71 | None | -6 | 10 | 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 | 3033 | 71 | None | -6 | 10 | 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 | 3033 | 71 | None | -6 | 10 | 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 | 3033 | 71 | None | -6 | 10 | 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 | 3033 | 71 | None | -6 | 10 | 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 | 3033 | 71 | None | -6 | 10 | 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 | 152222 | 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 | 152222 | 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 | 146899 | 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 | 146899 | 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 | 193429 | 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 | 193429 | 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 | 163339 | 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 | 163339 | 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 | 146028 | 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 | 146028 | 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 | 151166 | 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 | 151166 | 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 | 150126 | 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 | 150126 | 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 | 94054 | 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 | 94054 | 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 | 175796 | 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 | 175796 | 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 | 175796 | 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 | 142274 | 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 | 142274 | 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 | 144644 | 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 | 144644 | 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 | 152836 | 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 | 152836 | 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 | 176026 | 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 | 176026 | 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 | 176026 | 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 | 147922 | 0 | 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 | 147922 | 0 | 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 | 151320 | 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 | 151320 | 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 | 74814 | 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 | 74814 | 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 | 146226 | 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 | 146226 | 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 | 146662 | 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 | 146662 | 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 | 146662 | 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 | 146662 | 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 | 167619 | 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 | 167619 | 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 | 151519 | 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 | 151519 | 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 | 143889 | 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 | 143889 | 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 | 93821 | 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 | 93821 | 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 | 147736 | 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 | 147736 | 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 | 152222 | 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 | 152222 | 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 | 143748 | 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 | 143748 | 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 | 175776 | 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 | 175776 | 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 | 175776 | 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 | 175961 | 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 | 175961 | 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 | 175961 | 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 | 170565 | 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 | 170565 | 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 | 150218 | 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 | 150218 | 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 | 194278 | 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 | 194278 | 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 | 146824 | 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 | 146824 | 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 | 146824 | 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 | 146824 | 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 | 193528 | 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 | 193528 | 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 | 193891 | 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 | 193891 | 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 | 144069 | 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 | 144069 | 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 | 144069 | 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 | 144069 | 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 | 150678 | 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 | 150678 | 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 | 169969 | 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 | 169969 | 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 | 100350 | 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 | 100350 | 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 | 97417 | 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 | 97417 | 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 | 194667 | 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 | 194667 | 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 | 142073 | 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 | 142073 | 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 | 142073 | 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 | 142073 | 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 | 175861 | 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 | 175861 | 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 | 175861 | 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 | 145308 | 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 | 145308 | 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 | 102150 | 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 | 102150 | 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 | 149355 | 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 | 149355 | 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 | 194189 | 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 | 194189 | 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 | 77841 | 22 | 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 | 77841 | 22 | 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 | 74815 | 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 | 74815 | 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 | 176504 | 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 | 176504 | 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 | 193968 | 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 | 193968 | 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 | 144657 | 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 | 144657 | 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 | 143259 | 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 | 143259 | 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 | 142784 | 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 | 142784 | 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 | 149069 | 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 | 149069 | 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 | 149069 | 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 | 149069 | 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 | 147613 | 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 | 147613 | 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 | 148133 | 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 | 148133 | 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 | 139770 | 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 | 139770 | 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 | 69131 | 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 | 69131 | 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 | 176080 | 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 | 176080 | 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 | 176080 | 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 | 148136 | 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 | 148136 | 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 | 93704 | 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 | 93704 | 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 | 142994 | 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 | 142994 | 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 | 144534 | 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 | 144534 | 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 | 144890 | 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 | 144890 | 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 | 149170 | 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 | 149170 | 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 | 150412 | 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 | 150412 | 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 | 150898 | 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 | 150898 | 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 | 144158 | 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 | 144158 | 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 | 145060 | 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 | 145060 | 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 | 146301 | 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 | 146301 | 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 | 145541 | 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 | 145541 | 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 | 145571 | 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 | 145571 | 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 | 144235 | 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 | 144235 | 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 | 201526 | 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 | 201526 | 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 | 145949 | 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 | 145949 | 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 | 146824 | 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 | 146824 | 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 | 138794 | 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 | 138794 | 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 | 147550 | 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 | 147550 | 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 | 143747 | 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 | 143747 | 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 | 193972 | 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 | 193972 | 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 | 150678 | 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 | 150678 | 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 | 201246 | 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 | 201246 | 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 | 194309 | 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 | 194309 | 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 | 93664 | 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 | 93664 | 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 | 151376 | 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 | 151376 | 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 | 175727 | 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 | 175727 | 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 | 175727 | 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 | 3793 | 55 | 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 | 3793 | 55 | 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 | 3793 | 55 | 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 | 3793 | 55 | 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 | 3793 | 55 | 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 | 139730 | 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 | 139730 | 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 | 164076 | 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 | 164076 | 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 | 2899 | 1 | 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 | 2899 | 1 | 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 | 2899 | 1 | 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 | 175960 | 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 | 175960 | 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 | 175960 | 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 | 152111 | 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 | 152111 | 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 | 152134 | 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 | 152134 | 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 | 175907 | 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 | 175907 | 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 | 175907 | 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 | 148904 | 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 | 148904 | 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 | 139683 | 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 | 139683 | 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 | 150056 | 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 | 150056 | 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 | 139676 | 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 | 139676 | 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 | 145923 | 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 | 145923 | 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 | 101882 | 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 | 101882 | 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 | 144350 | 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 | 144350 | 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 | 143356 | 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 | 143356 | 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 | 143356 | 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 | 143356 | 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 | 150822 | 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 | 150822 | 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 | 2166 | 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 | 2166 | 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 | 2166 | 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 | 151685 | 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 | 151685 | 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 | 176079 | 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 | 176079 | 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 | 176079 | 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 | 143739 | 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 | 143739 | 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 | 143841 | 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 | 143841 | 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 | 143841 | 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 | 143841 | 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 | 149492 | 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 | 149492 | 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 | 145724 | 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 | 145724 | 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 | 152363 | 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 | 152363 | 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 | 997 | 27 | 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 | 997 | 27 | 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 | 997 | 27 | 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 | 145875 | 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 | 145875 | 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 | 152447 | 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 | 152447 | 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 | 142261 | 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 | 142261 | 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 | 142261 | 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 | 142261 | 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 | 148207 | 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 | 148207 | 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 | 150447 | 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 | 150447 | 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 | 143739 | 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 | 143739 | 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 | 143863 | 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 | 143863 | 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 | 153177 | 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 | 153177 | 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 | 94023 | 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 | 94023 | 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 | 152548 | 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 | 152548 | 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 | 175875 | 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 | 175875 | 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 | 175875 | 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 | 148475 | 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 | 148475 | 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 | 74938 | 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 | 74938 | 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 | 194645 | 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 | 194645 | 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 | 139692 | 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 | 139692 | 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 | 150637 | 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 | 150637 | 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 | 146679 | 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 | 146679 | 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 | 152355 | 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 | 152355 | 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 | 3033 | 71 | None | -6 | 10 | 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 | 3033 | 71 | None | -6 | 10 | 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 | 3033 | 71 | None | -6 | 10 | 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 | 3033 | 71 | None | -6 | 10 | 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 | 3033 | 71 | None | -6 | 10 | 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 | 3033 | 71 | None | -6 | 10 | 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 | 69128 | 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 | 69128 | 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 | 69128 | 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 | 69128 | 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 | 175767 | 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 | 175767 | 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 | 175767 | 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 | 163936 | 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 | 163936 | 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 | 145116 | 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 | 145116 | 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 | 193375 | 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 | 193375 | 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 | 148562 | 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 | 148562 | 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 | 121133 | 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 | 121133 | 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 | 121099 | 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 | 121099 | 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 | 121109 | 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 | 121109 | 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 | 121124 | 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 | 121124 | 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 | 121088 | 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 | 121088 | 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 | 121103 | 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 | 121103 | 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 | 121089 | 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 | 121089 | 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 | 121108 | 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 | 121108 | 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 | 3735 | 24 | 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 | 3735 | 24 | 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 | 3735 | 24 | 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 | 121105 | 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 | 121105 | 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 | 121117 | 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 | 121117 | 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 | 121130 | 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 | 121130 | 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 | 121132 | 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 | 121132 | 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 | 121102 | 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 | 121102 | 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 | 121111 | 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 | 121111 | 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 | 121125 | 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 | 121125 | 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 | 121131 | 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 | 121131 | 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 | 121084 | 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 | 121084 | 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 | 121085 | 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 | 121085 | 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 | 121110 | 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 | 121110 | 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 | 121113 | 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 | 121113 | 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 | 121121 | 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 | 121121 | 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 | 121131 | 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 | 121131 | 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 | 121118 | 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 | 121118 | 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 | 121115 | 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 | 121115 | 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 | 121100 | 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 | 121100 | 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 | 121131 | 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 | 121131 | 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 | 121090 | 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 | 121090 | 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 | 121119 | 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 | 121119 | 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 | 121084 | 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 | 121084 | 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 | 121084 | 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 | 121084 | 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 | 121107 | 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 | 121107 | 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 | 121114 | 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 | 121114 | 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 | 121087 | 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 | 121087 | 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 | 121086 | 3 | 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 | 121086 | 3 | 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 | 121112 | 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 | 121112 | 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 | 40455 | 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 | 40455 | 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 | 9820 | 15 | 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 | 9820 | 15 | 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 | 121472 | 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 | 121472 | 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 | 3486 | 33 | 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 | 3486 | 33 | 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 | 3486 | 33 | 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 | 317 | 66 | 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 | 317 | 66 | 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 | 317 | 66 | 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 | 164851 | 2 | 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 | 164851 | 2 | 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 | 57239 | 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 | 57239 | 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 | 119580 | 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 | 119580 | 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 | 56931 | 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 | 56931 | 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 | 197549 | 21 | 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 | 197549 | 21 | 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 | 3032 | 84 | None | -4 | 9 | 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 | 3032 | 84 | None | -4 | 9 | 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 | 3032 | 84 | None | -4 | 9 | 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 | 3032 | 84 | None | -4 | 9 | 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 | 3032 | 84 | None | -4 | 9 | 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 | 166886 | 20 | 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 | 166886 | 20 | 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 | 1575 | 46 | 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 | 1575 | 46 | 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 | 1575 | 46 | 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 | 1575 | 46 | 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 | 3033 | 71 | None | -2 | 10 | 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 | 3033 | 71 | None | -2 | 10 | 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 | 3033 | 71 | None | -2 | 10 | 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 | 3033 | 71 | None | -2 | 10 | 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 | 3033 | 71 | None | -2 | 10 | 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 | 3033 | 71 | None | -2 | 10 | 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 | 1575 | 46 | 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 | 1575 | 46 | 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 | 1575 | 46 | 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 | 1575 | 46 | 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 | 3696 | 45 | 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 | 3696 | 45 | 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 | 3696 | 45 | 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 | 3696 | 45 | 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 | 3696 | 45 | 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 | 3696 | 45 | 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 | 3696 | 45 | 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 | 3696 | 45 | 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 | 3737 | 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 | 3737 | 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 | 3737 | 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 | 3737 | 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 | 3733 | 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 | 3733 | 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 | 3733 | 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 | 3735 | 24 | 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 | 3735 | 24 | 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 | 3735 | 24 | 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 | 3012 | 49 | None | -1 | 2 | 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 | 3012 | 49 | None | -1 | 2 | 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 | 3012 | 49 | None | -1 | 2 | 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 | 3012 | 49 | None | -1 | 2 | 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 | 3012 | 49 | None | -1 | 2 | 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 | 3012 | 49 | None | -1 | 2 | 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 | 3012 | 49 | None | -1 | 2 | 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 | 3012 | 49 | None | -1 | 2 | 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 | 3012 | 49 | None | 1 | 2 | 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 | 3012 | 49 | None | 1 | 2 | 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 | 3012 | 49 | None | 1 | 2 | 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 | 3012 | 49 | None | 1 | 2 | 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 | 3014 | 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 | 3014 | 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 | 3736 | 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 | 3736 | 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 | 3734 | 42 | 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 | 3734 | 42 | 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 | 3734 | 42 | 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 | Receptor | Assay information | Chemical information | ||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Sel. page | Common name |
GPCRdb ID | #Vendors | Reference ligand |
Fold selectivity (Affinity) |
# tested GPCRs (Affinity) |
Species | p-value (-log) |
Type | Activity Relation |
Activity Value |
Assay Type | Assay Description | Source | Mol weight |
Rot Bonds |
H don | H acc | LogP | Smiles | DOI |
11855868 | 152012 | 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 | 152012 | 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 | 137035 | 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 | 137035 | 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 | 149069 | 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 | 149069 | 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 | 136769 | 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 | 136769 | 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 | 142261 | 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 | 142261 | 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 | 152743 | 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 | 152743 | 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 | 145747 | 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 | 145747 | 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 | 2897 | 4 | 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 | 2897 | 4 | 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 | 2897 | 4 | 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 | 143385 | 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 | 143385 | 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 | 151658 | 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 | 151658 | 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 | 139792 | 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 | 139792 | 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 | 143841 | 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 | 143841 | 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 | 143244 | 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 | 143244 | 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 | 143903 | 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 | 143903 | 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 | 152499 | 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 | 152499 | 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 | 150942 | 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 | 150942 | 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 | 148832 | 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 | 148832 | 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 | 201172 | 26 | 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 | 201172 | 26 | 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 | 136926 | 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 | 136926 | 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 | 142518 | 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 | 142518 | 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 | 136943 | 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 | 136943 | 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 | 142073 | 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 | 142073 | 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 | 146049 | 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 | 146049 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 138791 | 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 | 138791 | 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 | 138920 | 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 | 138920 | 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 | 3696 | 45 | 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 | 3696 | 45 | 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 | 3696 | 45 | 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 | 3696 | 45 | 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 | 136728 | 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 | 136728 | 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 | 136869 | 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 | 136869 | 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 | 139744 | 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 | 139744 | 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 | 150058 | 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 | 150058 | 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 | 136876 | 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 | 136876 | 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 | 146662 | 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 | 146662 | 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 | 144069 | 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 | 144069 | 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 | 144158 | 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 | 144158 | 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 | 142073 | 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 | 142073 | 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 | 136957 | 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 | 136957 | 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 | 138896 | 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 | 138896 | 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 | 201482 | 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 | 201482 | 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 | 145450 | 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 | 145450 | 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 | 736 | 15 | 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 | 736 | 15 | 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 | 736 | 15 | 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 | 145201 | 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 | 145201 | 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 | 97354 | 27 | 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 | 97354 | 27 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 136776 | 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 | 136776 | 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 | 139691 | 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 | 139691 | 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 | 1575 | 46 | 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 | 1575 | 46 | 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 | 1575 | 46 | 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 | 1575 | 46 | 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 | 136772 | 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 | 136772 | 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 | 144158 | 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 | 144158 | 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 | 146301 | 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 | 146301 | 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 | 146824 | 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 | 146824 | 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 | 201619 | 19 | 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 | 201619 | 19 | 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 | 136995 | 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 | 136995 | 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 | 147871 | 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 | 147871 | 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 | 139764 | 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 | 139764 | 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 | 136950 | 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 | 136950 | 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 | 151454 | 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 | 151454 | 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 | 149425 | 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 | 149425 | 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 | 142386 | 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 | 142386 | 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 | 145875 | 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 | 145875 | 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 | 152447 | 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 | 152447 | 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 | 138833 | 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 | 138833 | 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 | 138833 | 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 | 138833 | 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 | 142553 | 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 | 142553 | 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 | 151320 | 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 | 151320 | 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 | 121131 | 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 | 121131 | 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 | 121131 | 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 | 121131 | 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 | 2881 | 20 | 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 | 2881 | 20 | 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 | 2881 | 20 | 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 | 121089 | 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 | 121089 | 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 | 121097 | 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 | 121097 | 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 | 121099 | 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 | 121099 | 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 | 121117 | 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 | 121117 | 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 | 121084 | 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 | 121084 | 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 | 121084 | 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 | 121084 | 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 | 121091 | 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 | 121091 | 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 | 121106 | 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 | 121106 | 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 | 192049 | 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 | 192049 | 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 | 121111 | 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 | 121111 | 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 | 121120 | 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 | 121120 | 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 | 165545 | 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 | 165545 | 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 | 121104 | 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 | 121104 | 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 | 76697 | 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 | 76697 | 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 | 178074 | 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 | 178074 | 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 | 139130 | 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 | 139130 | 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 | 192017 | 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 | 192017 | 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 | 155737 | 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 | 155737 | 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 | 212248 | 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 | nan | ||||
10047541 | 131989 | 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 | 131989 | 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 | 121129 | 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 | 121129 | 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 | 144235 | 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 | 144235 | 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 | 147457 | 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 | 147457 | 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 | 140378 | 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 | 140378 | 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 | 182353 | 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 | 182353 | 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 | 121123 | 3 | 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 | 121123 | 3 | 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 | 121121 | 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 | 121121 | 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 | 142553 | 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 | 142553 | 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 | 121101 | 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 | 121101 | 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 | 121103 | 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 | 121103 | 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 | 145724 | 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 | 145724 | 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 | 14736 | 7 | 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 | 14736 | 7 | 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 | 14736 | 7 | 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 | 193375 | 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 | 193375 | 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 | 121126 | 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 | 121126 | 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 | 156880 | 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 | 156880 | 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 | 105785 | 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 | 105785 | 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 | 105785 | 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 | 121094 | 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 | 121094 | 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 | 145571 | 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 | 145571 | 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 | 139076 | 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 | 139076 | 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 | 158771 | 15 | 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 | 158771 | 15 | 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 | 6104 | 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 | 6104 | 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 | 121133 | 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 | 121133 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 121087 | 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 | 121087 | 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 | 121130 | 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 | 121130 | 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 | 121086 | 3 | 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 | 121086 | 3 | 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 | 121088 | 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 | 121088 | 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 | 121090 | 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 | 121090 | 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 | 121124 | 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 | 121124 | 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 | 193713 | 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 | 193713 | 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 | 150218 | 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 | 150218 | 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 | 182688 | 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 | 182688 | 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 | 158120 | 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 | 158120 | 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 | 59741 | 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 | 59741 | 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 | 100021 | 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 | 100021 | 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 | 193447 | 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 | 193447 | 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 | 3535 | 51 | 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 | 3535 | 51 | 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 | 3535 | 51 | 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 | 3535 | 51 | 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 | 193429 | 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 | 193429 | 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 | 121110 | 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 | 121110 | 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 | 89904 | 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 | 89904 | 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 | 194228 | 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 | 194228 | 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 | 121100 | 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 | 121100 | 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 | 194189 | 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 | 194189 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 121119 | 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 | 121119 | 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 | 121102 | 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 | 121102 | 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 | 121109 | 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 | 121109 | 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 | 121092 | 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 | 121092 | 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 | 121093 | 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 | 121093 | 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 | 121098 | 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 | 121098 | 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 | 194731 | 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 | 194731 | 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 | 193413 | 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 | 193413 | 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 | 194324 | 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 | 194324 | 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 | 154289 | 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 | 154289 | 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 | 193972 | 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 | 193972 | 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 | 195162 | 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 | 195162 | 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 | 158276 | 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 | 158276 | 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 | 153352 | 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 | 153352 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 943 | 35 | 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 | 943 | 35 | 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 | 943 | 35 | 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 | 943 | 35 | 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 | 136162 | 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 | 136162 | 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 | 193968 | 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 | 193968 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 121107 | 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 | 121107 | 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 | 121113 | 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 | 121113 | 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 | 121128 | 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 | 121128 | 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 | 1382 | 22 | 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 | 1382 | 22 | 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 | 1382 | 22 | 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 | 166886 | 20 | 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 | 166886 | 20 | 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 | 152219 | 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 | 152219 | 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 | 186233 | 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 | 186233 | 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 | 158432 | 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 | 158432 | 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 | 182225 | 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 | 182225 | 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 | 138392 | 7 | None | - | 0 | 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 | 138392 | 7 | None | - | 0 | 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 | 138392 | 7 | None | - | 0 | 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 | 138392 | 7 | None | - | 0 | 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 | 195197 | 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 | 195197 | 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 | 151997 | 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 | 151997 | 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 | 130096 | 22 | 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 | 130096 | 22 | 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 | 194302 | 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 | 194302 | 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 | 3012 | 49 | 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 | nan | ||
5817 | 3012 | 49 | 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 | nan | ||
CHEMBL3286797 | 3012 | 49 | 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 | nan | ||
DB12024 | 3012 | 49 | 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 | nan | ||
1883 | 3033 | 71 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 1575 | 46 | 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 | 1575 | 46 | 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 | 1575 | 46 | 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 | 1575 | 46 | 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 | 193891 | 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 | 193891 | 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 | 193253 | 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 | 193253 | 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 | 153805 | 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 | 153805 | 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 | 121116 | 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 | 121116 | 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 | 193832 | 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 | 193832 | 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 | 121112 | 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 | 121112 | 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 | 121095 | 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 | 121095 | 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 | 121096 | 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 | 121096 | 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 | 121127 | 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 | 121127 | 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 | 152548 | 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 | 152548 | 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 | 193254 | 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 | 193254 | 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 | 194645 | 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 | 194645 | 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 | 138720 | 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 | 138720 | 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 | 121108 | 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 | 121108 | 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 | 89908 | 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 | 89908 | 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 | 194309 | 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 | 194309 | 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 | 89928 | 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 | 89928 | 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 | 140353 | 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 | 140353 | 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 | 121084 | 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 | 121084 | 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 | 121085 | 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 | 121085 | 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 | 121105 | 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 | 121105 | 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 | 194278 | 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 | 194278 | 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 | 933 | 52 | 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 | 933 | 52 | 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 | 933 | 52 | 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 | 89929 | 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 | 89929 | 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 | 179940 | 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 | 179940 | 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 | 193428 | 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 | 193428 | 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 | 121131 | 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 | 121131 | 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 | 121132 | 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 | 121132 | 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 | 121114 | 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 | 121114 | 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 | 121125 | 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 | 121125 | 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 | 121115 | 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 | 121115 | 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 | 193528 | 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 | 193528 | 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 | 165420 | 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 | 165420 | 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 | 145923 | 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 | 145923 | 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 | 121118 | 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 | 121118 | 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 | 194277 | 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 | 194277 | 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 | 194667 | 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 | 194667 | 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 | 179941 | 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 | 179941 | 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 | 89907 | 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 | 89907 | 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 | 176126 | 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 | 176126 | 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 | 3012 | 49 | 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 | nan | ||
5817 | 3012 | 49 | 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 | nan | ||
CHEMBL3286797 | 3012 | 49 | 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 | nan | ||
DB12024 | 3012 | 49 | 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 | nan | ||
9807448 | 201482 | 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 | 201482 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 128681 | 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 | 128681 | 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 | 128685 | 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 | 128685 | 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 | 74817 | 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 | 74817 | 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 | 2897 | 4 | 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 | 2897 | 4 | 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 | 2897 | 4 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 70963 | 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 | 70963 | 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 | 70963 | 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 | 70963 | 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 | 128675 | 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 | 128675 | 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 | 3696 | 45 | 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 | 3696 | 45 | 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 | 3696 | 45 | 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 | 3696 | 45 | 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 | 152743 | 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 | 152743 | 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 | 125365 | 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 | 125365 | 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 | 100484 | 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 | 100484 | 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 | 100484 | 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 | 100484 | 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 | 95283 | 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 | 95283 | 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 | 201568 | 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 | 201568 | 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 | 204628 | 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 | 204628 | 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 | 143739 | 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 | 143739 | 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 | 81469 | 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 | 81469 | 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 | 201515 | 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 | 201515 | 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 | 97354 | 27 | 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 | 97354 | 27 | 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 | 16365 | 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 | 16365 | 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 | 97354 | 27 | 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 | 97354 | 27 | 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 | 64272 | 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 | 64272 | 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 | 201053 | 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 | 201053 | 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 | 69024 | 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 | 69024 | 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 | 198898 | 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 | 198898 | 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 | 161369 | 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 | 161369 | 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 | 205203 | 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 | 205203 | 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 | 150637 | 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 | 150637 | 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 | 142261 | 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 | 142261 | 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 | 142261 | 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 | 142261 | 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 | 317 | 66 | 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 | 317 | 66 | 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 | 317 | 66 | 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 | 143863 | 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 | 143863 | 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 | 199546 | 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 | 199546 | 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 | 100115 | 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 | 100115 | 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 | 84284 | 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 | 84284 | 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 | 198082 | 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 | 198082 | 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 | 199535 | 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 | 199535 | 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 | 102250 | 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 | 102250 | 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 | 198910 | 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 | 198910 | 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 | 164851 | 2 | 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 | 164851 | 2 | 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 | 105785 | 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 | 105785 | 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 | 105785 | 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 | 174092 | 15 | 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 | 174092 | 15 | 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 | 153177 | 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 | 153177 | 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 | 94023 | 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 | 94023 | 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 | 152222 | 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 | 152222 | 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 | 69125 | 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 | 69125 | 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 | 69125 | 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 | 69125 | 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 | 143159 | 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 | 143159 | 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 | 128682 | 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 | 128682 | 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 | 167619 | 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 | 167619 | 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 | 69134 | 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 | 69134 | 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 | 84284 | 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 | 84284 | 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 | 122778 | 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 | 122778 | 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 | 126804 | 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 | 126804 | 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 | 198391 | 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 | 198391 | 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 | 205295 | 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 | 205295 | 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 | 152836 | 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 | 152836 | 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 | 94053 | 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 | 94053 | 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 | 2248 | 68 | 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 | 2248 | 68 | 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 | 2248 | 68 | 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 | 2248 | 68 | 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 | 2248 | 68 | 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 | 150942 | 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 | 150942 | 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 | 150653 | 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 | 150653 | 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 | 201629 | 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 | 201629 | 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 | 204527 | 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 | 204527 | 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 | 16368 | 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 | 16368 | 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 | 16368 | 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 | 16368 | 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 | 137356 | 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 | 137356 | 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 | 69029 | 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 | 69029 | 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 | 148671 | 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 | 148671 | 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 | 102013 | 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 | 102013 | 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 | 102013 | 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 | 111072 | 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 | 111072 | 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 | 95118 | 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 | 95118 | 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 | 143863 | 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 | 143863 | 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 | 162972 | 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 | 162972 | 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 | 152012 | 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 | 152012 | 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 | 69132 | 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 | 69132 | 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 | 152012 | 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 | 152012 | 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 | 74820 | 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 | 74820 | 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 | 169510 | 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 | 169510 | 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 | 16468 | 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 | 16468 | 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 | 201487 | 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 | 201487 | 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 | 197480 | 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 | 197480 | 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 | 102287 | 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 | 102287 | 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 | 144695 | 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 | 144695 | 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 | 144890 | 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 | 144890 | 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 | 145412 | 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 | 145412 | 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 | 152621 | 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 | 152621 | 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 | 105785 | 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 | 105785 | 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 | 105785 | 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 | 105785 | 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 | 105785 | 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 | 105785 | 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 | 198877 | 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 | 198877 | 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 | 1575 | 46 | 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 | 1575 | 46 | 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 | 1575 | 46 | 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 | 1575 | 46 | 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 | 167826 | 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 | 167826 | 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 | 83728 | 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 | 83728 | 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 | 96071 | 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 | 96071 | 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 | 204119 | 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 | 204119 | 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 | 145875 | 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 | 145875 | 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 | 145875 | 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 | 145875 | 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 | 144069 | 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 | 144069 | 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 | 144069 | 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 | 144069 | 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 | 64482 | 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 | 64482 | 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 | 16361 | 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 | 16361 | 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 | 65778 | 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 | 65778 | 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 | 124535 | 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 | 124535 | 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 | 69030 | 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 | 69030 | 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 | 74808 | 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 | 74808 | 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 | 63456 | 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 | 63456 | 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 | 94092 | 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 | 94092 | 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 | 14736 | 7 | 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 | 14736 | 7 | 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 | 14736 | 7 | 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 | 152363 | 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 | 152363 | 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 | 16359 | 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 | 16359 | 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 | 170609 | 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 | 170609 | 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 | 198295 | 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 | 198295 | 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 | 158771 | 15 | 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 | 158771 | 15 | 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 | 153887 | 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 | 153887 | 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 | 142073 | 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 | 142073 | 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 | 69131 | 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 | 69131 | 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 | 69131 | 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 | 69131 | 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 | 152743 | 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 | 152743 | 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 | 70961 | 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 | 70961 | 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 | 2490 | 39 | 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 | 2490 | 39 | 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 | 2490 | 39 | 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 | 142657 | 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 | 142657 | 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 | 74814 | 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 | 74814 | 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 | 74818 | 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 | 74818 | 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 | 201482 | 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 | 201482 | 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 | 128676 | 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 | 128676 | 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 | 100419 | 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 | 100419 | 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 | 64877 | 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 | 64877 | 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 | 204550 | 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 | 204550 | 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 | 64883 | 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 | 64883 | 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 | 74810 | 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 | 74810 | 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 | 198919 | 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 | 198919 | 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 | 146662 | 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 | 146662 | 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 | 146662 | 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 | 146662 | 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 | 153872 | 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 | 153872 | 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 | 97418 | 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 | 97418 | 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 | 74822 | 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 | 74822 | 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 | 64080 | 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 | 64080 | 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 | 66239 | 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 | 66239 | 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 | 204686 | 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 | 204686 | 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 | 63742 | 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 | 63742 | 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 | 64883 | 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 | 64883 | 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 | 82666 | 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 | 82666 | 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 | 82667 | 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 | 82667 | 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 | 74804 | 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 | 74804 | 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 | 198167 | 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 | 198167 | 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 | 100438 | 4 | 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 | 100438 | 4 | 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 | 110976 | 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 | 110976 | 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 | 3032 | 84 | 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 | 3032 | 84 | 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 | 3032 | 84 | 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 | 3032 | 84 | 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 | 3032 | 84 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 70964 | 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 | 70964 | 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 | 70964 | 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 | 70964 | 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 | 74821 | 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 | 74821 | 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 | 74938 | 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 | 74938 | 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 | 64494 | 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 | 64494 | 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 | 84519 | 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 | 84519 | 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 | 93664 | 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 | 93664 | 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 | 167495 | 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 | 167495 | 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 | 176927 | 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 | 176927 | 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 | 143739 | 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 | 143739 | 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 | 19095 | 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 | 19095 | 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 | 143356 | 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 | 143356 | 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 | 143356 | 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 | 143356 | 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 | 143903 | 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 | 143903 | 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 | 143903 | 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 | 143903 | 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 | 74816 | 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 | 74816 | 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 | 140796 | 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 | 140796 | 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 | 140796 | 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 | 140796 | 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 | 16982 | 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 | 16982 | 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 | 64474 | 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 | 64474 | 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 | 106406 | 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 | 106406 | 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 | 205461 | 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 | 205461 | 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 | 155036 | 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 | 155036 | 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 | 74939 | 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 | 74939 | 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 | 59383 | 20 | 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 | 59383 | 20 | 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 | 69126 | 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 | 69126 | 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 | 69126 | 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 | 69126 | 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 | 97354 | 27 | 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 | 97354 | 27 | 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 | 167511 | 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 | 167511 | 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 | 141219 | 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 | 141219 | 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 | 93793 | 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 | 93793 | 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 | 201526 | 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 | 201526 | 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 | 147736 | 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 | 147736 | 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 | 65938 | 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 | 65938 | 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 | 64083 | 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 | 64083 | 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 | 16635 | 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 | 16635 | 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 | 16649 | 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 | 16649 | 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 | 105685 | 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 | 105685 | 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 | 16366 | 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 | 16366 | 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 | 16369 | 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 | 16369 | 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 | 16369 | 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 | 16369 | 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 | 83002 | 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 | 83002 | 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 | 84304 | 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 | 84304 | 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 | 84349 | 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 | 84349 | 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 | 84349 | 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 | 84349 | 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 | 101886 | 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 | 101886 | 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 | 97272 | 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 | 97272 | 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 | 97417 | 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 | 97417 | 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 | 201120 | 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 | 201120 | 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 | 100859 | 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 | 100859 | 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 | 128062 | 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 | 128062 | 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 | 144158 | 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 | 144158 | 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 | 204125 | 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 | 204125 | 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 | 66329 | 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 | 66329 | 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 | 64110 | 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 | 64110 | 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 | 204628 | 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 | 204628 | 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 | 143443 | 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 | 143443 | 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 | 93704 | 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 | 93704 | 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 | 74819 | 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 | 74819 | 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 | 121530 | 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 | 121530 | 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 | 201473 | 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 | 201473 | 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 | 136162 | 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 | 136162 | 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 | 199931 | 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 | 199931 | 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 | 144657 | 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 | 144657 | 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 | 93734 | 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 | 93734 | 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 | 153888 | 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 | 153888 | 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 | 201289 | 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 | 201289 | 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 | 16391 | 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 | 16391 | 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 | 18346 | 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 | 18346 | 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 | 106078 | 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 | 106078 | 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 | 204604 | 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 | 204604 | 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 | 204708 | 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 | 204708 | 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 | 16363 | 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 | 16363 | 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 | 66527 | 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 | 66527 | 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 | 172118 | 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 | 172118 | 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 | 120349 | 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 | 120349 | 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 | 120349 | 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 | 69130 | 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 | 69130 | 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 | 69130 | 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 | 69130 | 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 | 70962 | 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 | 70962 | 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 | 70962 | 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 | 70962 | 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 | 128684 | 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 | 128684 | 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 | 201482 | 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 | 201482 | 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 | ||
67078580 | 128678 | 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 | 128678 | 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 | 128680 | 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 | 128680 | 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 | 201543 | 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 | 201543 | 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 | 154975 | 8 | 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 | 154975 | 8 | 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 | 105527 | 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 | 105527 | 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 | 92998 | 27 | 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 | 92998 | 27 | 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 | 43386 | 24 | 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 | 43386 | 24 | 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 | 8992 | 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 | 8992 | 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 | 93792 | 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 | 93792 | 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 | 145747 | 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 | 145747 | 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 | 145747 | 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 | 145747 | 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 | 141078 | 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 | 141078 | 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 | 64084 | 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 | 64084 | 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 | 201434 | 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 | 201434 | 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 | 201222 | 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 | 201222 | 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 | 106618 | 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 | 106618 | 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 | 35026 | 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 | 35026 | 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 | 153177 | 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 | 153177 | 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 | 152836 | 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 | 152836 | 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 | 69129 | 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 | 69129 | 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 | 69129 | 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 | 69129 | 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 | 178342 | 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 | 178342 | 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 | 150058 | 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 | 150058 | 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 | 126025 | 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 | 126025 | 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 | 100566 | 0 | 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 | 100566 | 0 | 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 | 64082 | 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 | 64082 | 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 | 65787 | 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 | 65787 | 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 | 201269 | 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 | 201269 | 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 | 198370 | 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 | 198370 | 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 | 56578 | 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 | 56578 | 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 | 201242 | 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 | 201242 | 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 | 64081 | 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 | 64081 | 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 | 84284 | 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 | 84284 | 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 | 160727 | 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 | 160727 | 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 | 152363 | 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 | 152363 | 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 | 137382 | 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 | 137382 | 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 | 16744 | 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 | 16744 | 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 | 74807 | 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 | 74807 | 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 | 64475 | 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 | 64475 | 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 | 16388 | 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 | 16388 | 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 | 167765 | 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 | 167765 | 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 | 34254 | 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 | 34254 | 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 | 143159 | 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 | 143159 | 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 | 200425 | 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 | 200425 | 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 | 201246 | 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 | 201246 | 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 | 64099 | 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 | 64099 | 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 | 116404 | 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 | 116404 | 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 | 84719 | 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 | 84719 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 201619 | 19 | 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 | 201619 | 19 | 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 | 165340 | 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 | 165340 | 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 | 167380 | 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 | 167380 | 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 | 197767 | 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 | 197767 | 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 | 152447 | 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 | 152447 | 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 | 152447 | 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 | 152447 | 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 | 76692 | 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 | 76692 | 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 | 76692 | 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 | 76692 | 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 | 122101 | 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 | 122101 | 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 | 201551 | 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 | 201551 | 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 | 183703 | 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 | 183703 | 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 | 128679 | 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 | 128679 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 102150 | 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 | 102150 | 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 | 142073 | 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 | 142073 | 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 | 142073 | 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 | 142073 | 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 | 166289 | 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 | 166289 | 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 | 3032 | 84 | 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 | 3032 | 84 | 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 | 3032 | 84 | 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 | 3032 | 84 | 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 | 3032 | 84 | 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 | 3032 | 84 | 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 | 3032 | 84 | 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 | 3032 | 84 | 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 | 3032 | 84 | 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 | 3032 | 84 | 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 | 126645 | 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 | 126645 | 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 | 165623 | 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 | 165623 | 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 | 69124 | 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 | 69124 | 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 | 69124 | 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 | 69124 | 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 | 16721 | 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 | 16721 | 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 | 63306 | 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 | 63306 | 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 | 100908 | 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 | 100908 | 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 | 69133 | 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 | 69133 | 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 | 177944 | 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 | 177944 | 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 | 100973 | 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 | 100973 | 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 | 94023 | 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 | 94023 | 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 | 81468 | 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 | 81468 | 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 | 101882 | 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 | 101882 | 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 | 199185 | 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 | 199185 | 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 | 169908 | 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 | 169908 | 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 | 64493 | 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 | 64493 | 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 | 155035 | 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 | 155035 | 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 | 123931 | 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 | 123931 | 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 | 162972 | 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 | 162972 | 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 | 16718 | 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 | 16718 | 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 | 113302 | 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 | 113302 | 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 | 149362 | 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 | 149362 | 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 | 199699 | 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 | 199699 | 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 | 145927 | 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 | 145927 | 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 | 69006 | 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 | 69006 | 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 | 123329 | 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 | 123329 | 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 | 84349 | 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 | 84349 | 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 | 201463 | 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 | 201463 | 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 | 204626 | 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 | 204626 | 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 | 2166 | 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 | 2166 | 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 | 2166 | 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 | 1575 | 46 | 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 | 1575 | 46 | 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 | 1575 | 46 | 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 | 1575 | 46 | 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 | 64086 | 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 | 64086 | 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 | 142994 | 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 | 142994 | 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 | 144534 | 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 | 144534 | 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 | 149170 | 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 | 149170 | 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 | 150412 | 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 | 150412 | 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 | 150898 | 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 | 150898 | 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 | 144158 | 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 | 144158 | 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 | 144158 | 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 | 144158 | 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 | 150678 | 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 | 150678 | 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 | 84279 | 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 | 84279 | 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 | 64473 | 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 | 64473 | 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 | 66297 | 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 | 66297 | 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 | 8666 | 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 | 8666 | 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 | 16357 | 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 | 16357 | 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 | 64476 | 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 | 64476 | 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 | 201510 | 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 | 201510 | 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 | 143580 | 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 | 143580 | 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 | 95031 | 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 | 95031 | 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 | 66629 | 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 | 66629 | 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 | 65775 | 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 | 65775 | 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 | 82363 | 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 | 82363 | 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 | 93733 | 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 | 93733 | 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 | 16356 | 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 | 16356 | 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 | 170741 | 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 | 170741 | 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 | 74937 | 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 | 74937 | 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 | 154299 | 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 | 154299 | 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 | 93763 | 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 | 93763 | 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 | 147392 | 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 | 147392 | 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 | 165406 | 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 | 165406 | 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 | 198171 | 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 | 198171 | 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 | 145450 | 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 | 145450 | 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 | 145450 | 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 | 145450 | 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 | 168531 | 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 | 168531 | 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 | 173402 | 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 | 173402 | 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 | 204539 | 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 | 204539 | 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 | 2517 | 37 | 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 | 2517 | 37 | 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 | 2517 | 37 | 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 | 199761 | 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 | 199761 | 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 | 161159 | 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 | 161159 | 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 | 124909 | 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 | 124909 | 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 | 93573 | 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 | 93573 | 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 | 94054 | 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 | 94054 | 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 | 64087 | 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 | 64087 | 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 | 142727 | 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 | 142727 | 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 | 149492 | 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 | 149492 | 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 | 93735 | 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 | 93735 | 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 | 112090 | 30 | 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 | 112090 | 30 | 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 | 70958 | 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 | 70958 | 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 | 74805 | 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 | 74805 | 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 | 64483 | 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 | 64483 | 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 | 2899 | 1 | 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 | 2899 | 1 | 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 | 2899 | 1 | 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 | 2899 | 1 | 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 | 2899 | 1 | 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 | 2899 | 1 | 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 | 2899 | 1 | 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 | 2899 | 1 | 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 | 2899 | 1 | 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 | 93705 | 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 | 93705 | 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 | 154298 | 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 | 154298 | 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 | 78215 | 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 | 78215 | 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 | 16360 | 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 | 16360 | 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 | 82736 | 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 | 82736 | 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 | 82737 | 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 | 82737 | 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 | 34841 | 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 | 34841 | 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 | 74940 | 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 | 74940 | 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 | 16358 | 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 | 16358 | 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 | 69025 | 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 | 69025 | 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 | 198020 | 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 | 198020 | 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 | 162209 | 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 | 162209 | 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 | 70955 | 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 | 70955 | 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 | 128677 | 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 | 128677 | 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 | ||
59465571 | 145752 | 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 | 145752 | 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 | 151166 | 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 | 151166 | 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 | 106420 | 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 | 106420 | 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 | 16362 | 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 | 16362 | 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 | 144350 | 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 | 144350 | 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 | 163819 | 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 | 163819 | 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 | 74809 | 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 | 74809 | 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 | 2517 | 37 | 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 | 2517 | 37 | 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 | 2517 | 37 | 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 | 736 | 15 | 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 | 736 | 15 | 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 | 736 | 15 | 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 | 201582 | 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 | 201582 | 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 | 63546 | 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 | 63546 | 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 | 183947 | 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 | 183947 | 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 | 100408 | 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 | 100408 | 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 | 142218 | 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 | 142218 | 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 | 198878 | 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 | 198878 | 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 | 93574 | 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 | 93574 | 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 | 201462 | 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 | 201462 | 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 | 84294 | 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 | 84294 | 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 | 93821 | 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 | 93821 | 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 | 16370 | 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 | 16370 | 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 | 16370 | 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 | 16370 | 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 | 82815 | 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 | 82815 | 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 | 16614 | 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 | 16614 | 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 | 102368 | 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 | 102368 | 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 | 100268 | 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 | 100268 | 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 | 63963 | 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 | 63963 | 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 | 149069 | 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 | 149069 | 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 | 149069 | 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 | 149069 | 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 | 199847 | 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 | 199847 | 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 | 82367 | 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 | 82367 | 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 | 141032 | 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 | 141032 | 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 | 141128 | 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 | 141128 | 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 | 6760 | 12 | 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 | 6760 | 12 | 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 | 77637 | 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 | 77637 | 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 | 16382 | 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 | 16382 | 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 | 17851 | 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 | 17851 | 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 | 16382 | 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 | 16382 | 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 | 117568 | 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 | 117568 | 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 | 93764 | 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 | 93764 | 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 | 69127 | 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 | 69127 | 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 | 69127 | 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 | 69127 | 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 | 69005 | 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 | 69005 | 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 | 178470 | 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 | 178470 | 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 | 16356 | 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 | 16356 | 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 | 82582 | 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 | 82582 | 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 | 137338 | 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 | 137338 | 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 | 204682 | 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 | 204682 | 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 | 83722 | 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 | 83722 | 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 | 3032 | 84 | 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 | 3032 | 84 | 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 | 3032 | 84 | 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 | 3032 | 84 | 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 | 3032 | 84 | 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 | 16364 | 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 | 16364 | 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 | 82744 | 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 | 82744 | 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 | 141219 | 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 | 141219 | 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 | 59383 | 20 | 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 | 59383 | 20 | 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 | 94091 | 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 | 94091 | 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 | 66013 | 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 | 66013 | 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 | 128686 | 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 | 128686 | 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 | 74815 | 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 | 74815 | 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 | 69128 | 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 | 69128 | 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 | 69128 | 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 | 69128 | 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 | 69128 | 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 | 69128 | 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 | 128683 | 3 | 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 | 128683 | 3 | 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 | 126725 | 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 | 126725 | 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 | 199891 | 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 | 199891 | 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 | 70957 | 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 | 70957 | 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 | 100350 | 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 | 100350 | 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 | 93791 | 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 | 93791 | 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 | 197990 | 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 | 197990 | 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 | 198932 | 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 | 198932 | 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 | 142218 | 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 | 142218 | 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 | 152621 | 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 | 152621 | 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 | 63534 | 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 | 63534 | 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 | 83727 | 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 | 83727 | 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 | 143863 | 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 | 143863 | 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 | 125365 | 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 | 125365 | 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 | 125365 | 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 | 125365 | 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 | 63747 | 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 | 63747 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 3032 | 84 | 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 | 3032 | 84 | 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 | 3032 | 84 | 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 | 3032 | 84 | 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 | 3032 | 84 | 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 | 214275 | 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 | 214646 | 0 | Functional | -1348 | 31 | Dog | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 314 | 3 | 0 | 4 | 2.6 | CS(=O)(=O)C1=CC=C(C=C1)C2=C(C(=O)OC2)C3=CC=CC=C3 | None | ||
5090 | 214646 | 0 | Functional | -35 | 31 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 314 | 3 | 0 | 4 | 2.6 | CS(=O)(=O)C1=CC=C(C=C1)C2=C(C(=O)OC2)C3=CC=CC=C3 | None | ||
5311035 | 97354 | 27 | 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 | 97354 | 27 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 914 | 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 | 914 | 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 | 914 | 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 | 914 | 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 | 214273 | 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 | 214274 | 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 | 214274 | 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 | 1996 | 116 | 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 | 1996 | 116 | 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 | 1996 | 116 | 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 | 1996 | 116 | 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 | 1996 | 116 | 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 | 214272 | 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 | 214278 | 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 | 314 | 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 | 314 | 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 | 2506 | 60 | 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 | 2506 | 60 | 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 | 2506 | 60 | 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 | 2506 | 60 | 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 | 2506 | 60 | 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 | 1996 | 116 | 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 | 1996 | 116 | 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 | 1996 | 116 | 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 | 1996 | 116 | 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 | 1996 | 116 | 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 | 1996 | 116 | 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 | 1996 | 116 | 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 | 1996 | 116 | 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 | 1996 | 116 | 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 | 1996 | 116 | 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 | 317 | 66 | 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 | 317 | 66 | 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 | 317 | 66 | 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 | 214646 | 0 | Functional | -35 | 31 | Rat | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 314 | 3 | 0 | 4 | 2.6 | CS(=O)(=O)C1=CC=C(C=C1)C2=C(C(=O)OC2)C3=CC=CC=C3 | None | ||
5090 | 214646 | 0 | Functional | -35 | 31 | Rat | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 314 | 3 | 0 | 4 | 2.6 | CS(=O)(=O)C1=CC=C(C=C1)C2=C(C(=O)OC2)C3=CC=CC=C3 | None | ||
5077 | 3522 | 72 | 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 | 3522 | 72 | 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 | 3522 | 72 | 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 | 3522 | 72 | 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 | 3522 | 72 | 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 | 3034 | 46 | 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 | 3034 | 46 | 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 | 3034 | 46 | 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 | 3034 | 46 | 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 | 3034 | 46 | 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 | 186881 | 39 | 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 | 186881 | 39 | 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 | 186881 | 39 | 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 | 186881 | 39 | 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 | 186881 | 39 | 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 | 186881 | 39 | 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 | 914 | 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 | 914 | 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 | 914 | 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 | 914 | 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 | 186881 | 39 | 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 | 186881 | 39 | 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 | 186881 | 39 | 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 | 3034 | 46 | 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 | 3034 | 46 | 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 | 3034 | 46 | 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 | 3034 | 46 | 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 | 3034 | 46 | 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 | 215988 | 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 | 2248 | 68 | 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 | 2248 | 68 | 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 | 2248 | 68 | 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 | 2248 | 68 | 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 | 2248 | 68 | 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 | 214644 | 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 | 214646 | 0 | None | 28 | 31 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 314 | 3 | 0 | 4 | 2.6 | CS(=O)(=O)C1=CC=C(C=C1)C2=C(C(=O)OC2)C3=CC=CC=C3 | None | ||
1817 | 2506 | 60 | 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 | 2506 | 60 | 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 | 2506 | 60 | 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 | 2506 | 60 | 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 | 2506 | 60 | 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 | 3032 | 84 | 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 | 3032 | 84 | 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 | 3032 | 84 | 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 | 3032 | 84 | 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 | 3032 | 84 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 1996 | 116 | 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 | 1996 | 116 | 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 | 1996 | 116 | 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 | 1996 | 116 | 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 | 1996 | 116 | 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 | 3032 | 84 | 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 | 3032 | 84 | 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 | 3032 | 84 | 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 | 3032 | 84 | 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 | 3032 | 84 | 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 | 3793 | 55 | 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 | 3793 | 55 | 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 | 3793 | 55 | 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 | 3793 | 55 | 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 | 3793 | 55 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 2579 | 47 | 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 | 2579 | 47 | 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 | 2579 | 47 | 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 | 1976 | 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 | 1976 | 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 | 1976 | 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 | 1976 | 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 | 736 | 15 | 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 | 736 | 15 | 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 | 736 | 15 | 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 | 736 | 15 | 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 | 736 | 15 | 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 | 736 | 15 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 3032 | 84 | 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 | 3032 | 84 | 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 | 3032 | 84 | 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 | 3032 | 84 | 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 | 3032 | 84 | 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 | 3032 | 84 | 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 | 3032 | 84 | 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 | 3032 | 84 | 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 | 3032 | 84 | 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 | 3032 | 84 | 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 | 3032 | 84 | 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 | 3032 | 84 | 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 | 3032 | 84 | 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 | 3032 | 84 | 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 | 3032 | 84 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 3033 | 71 | 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 | 3038 | 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 | 3038 | 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 | 3793 | 55 | 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 | 3793 | 55 | 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 | 3793 | 55 | 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 | 3793 | 55 | 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 | 3793 | 55 | 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 | 3793 | 55 | 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 | 3793 | 55 | 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 | 3793 | 55 | 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 | 3793 | 55 | 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 | 3793 | 55 | 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 | 2881 | 20 | 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 | 2881 | 20 | 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 | 2881 | 20 | 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 | 2897 | 4 | 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 | 2897 | 4 | 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 | 2897 | 4 | 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 | 3837 | 26 | 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 | 3837 | 26 | 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 | 3837 | 26 | 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 | 3837 | 26 | 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 | 2506 | 60 | 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 | 2506 | 60 | 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 | 2506 | 60 | 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 | 2506 | 60 | 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 | 2506 | 60 | 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 | 3030 | 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 | 3030 | 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 | 3030 | 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 | 3030 | 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 | 3030 | 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 | 3837 | 26 | 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 | 3837 | 26 | 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 | 3837 | 26 | 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 | 3837 | 26 | 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 | 3030 | 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 | 3030 | 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 | 3030 | 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 | 3030 | 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 | 3030 | 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 | 2901 | 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 | 2901 | 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 | 3034 | 46 | 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 | 3034 | 46 | 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 | 3034 | 46 | 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 | 3034 | 46 | 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 | 3034 | 46 | 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 | 3034 | 46 | 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 | 3034 | 46 | 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 | 3034 | 46 | 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 | 3034 | 46 | 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 | 3034 | 46 | 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 | 3034 | 46 | 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 | 3034 | 46 | 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 | 3034 | 46 | 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 | 3034 | 46 | 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 | 3034 | 46 | 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 | 2429 | 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 | 2429 | 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 | 2429 | 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 | 2429 | 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 | 1976 | 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 | 1976 | 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 | 1976 | 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 | 1976 | 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 | 2898 | 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 | 2898 | 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 | 783 | 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 | 783 | 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 | 783 | 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 | 1976 | 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 | 1976 | 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 | 1976 | 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 | 1976 | 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 | 29 | 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 | 29 | 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 | 317 | 66 | 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 | 317 | 66 | 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 | 317 | 66 | 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 | 914 | 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 | 914 | 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 | 914 | 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 | 914 | 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 | 2429 | 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 | 2429 | 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 | 314 | 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 | 314 | 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 | 783 | 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 | 783 | 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 | 783 | 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 | 2059 | 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 | 2059 | 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 | 2059 | 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 | 27 | 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 | 27 | 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 | 27 | 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 | 3281 | 15 | 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 | 3281 | 15 | 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 | 3281 | 15 | 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 | 3281 | 15 | 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 | 317 | 66 | 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 | 317 | 66 | 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 | 317 | 66 | 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 | 317 | 66 | 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 | 317 | 66 | 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 | 317 | 66 | 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 | 314 | 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 | 314 | 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 | 29 | 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 | 29 | 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 | 736 | 15 | 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 | 736 | 15 | 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 | 736 | 15 | 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 | 2505 | 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 | 2505 | 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 | 2505 | 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 | 25 | 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 | 25 | 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 | 25 | 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 |