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 |
9868867 | 186539 | 0 | None | - | 1 | Mouse | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 460 | 12 | 4 | 5 | 3.3 | O=C(O)CCC/C=C\C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1OC[C@@H](O)CCc1cccc(C(F)(F)F)c1 | 10.1016/j.bmc.2008.11.070 | ||
CHEMBL491667 | 186539 | 0 | None | - | 1 | Mouse | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 460 | 12 | 4 | 5 | 3.3 | O=C(O)CCC/C=C\C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1OC[C@@H](O)CCc1cccc(C(F)(F)F)c1 | 10.1016/j.bmc.2008.11.070 | ||
1894 | 943 | 35 | None | 229 | 5 | Human | 8.0 | pEC50 | = | 8 | Functional | 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 | 10.1016/s0960-894x(00)00273-0 | ||
5311053 | 943 | 35 | None | 229 | 5 | Human | 8.0 | pEC50 | = | 8 | Functional | 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 | 10.1016/s0960-894x(00)00273-0 | ||
CHEMBL37853 | 943 | 35 | None | 229 | 5 | Human | 8.0 | pEC50 | = | 8 | Functional | 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 | 10.1016/s0960-894x(00)00273-0 | ||
DB11507 | 943 | 35 | None | 229 | 5 | Human | 8.0 | pEC50 | = | 8 | Functional | 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 | 10.1016/s0960-894x(00)00273-0 | ||
134157766 | 153516 | 0 | None | -1 | 2 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 390 | 8 | 3 | 5 | 2.6 | O=C(O)CC[C@@H]1CC[C@H]2[C@H](C[C@@H](O)[C@@H]2/C=C/[C@@H](O)COc2ccccc2)OC1 | 10.1021/acsmedchemlett.6b00415 | ||
CHEMBL3984438 | 153516 | 0 | None | -1 | 2 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 390 | 8 | 3 | 5 | 2.6 | O=C(O)CC[C@@H]1CC[C@H]2[C@H](C[C@@H](O)[C@@H]2/C=C/[C@@H](O)COc2ccccc2)OC1 | 10.1021/acsmedchemlett.6b00415 | ||
134149776 | 147971 | 0 | None | 43 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 390 | 8 | 3 | 5 | 2.6 | O=C(O)CC[C@H]1CC[C@H]2[C@H](C[C@@H](O)[C@@H]2/C=C/[C@@H](O)COc2ccccc2)OC1 | 10.1021/acsmedchemlett.6b00415 | ||
CHEMBL3938300 | 147971 | 0 | None | 43 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 390 | 8 | 3 | 5 | 2.6 | O=C(O)CC[C@H]1CC[C@H]2[C@H](C[C@@H](O)[C@@H]2/C=C/[C@@H](O)COc2ccccc2)OC1 | 10.1021/acsmedchemlett.6b00415 | ||
134151657 | 152580 | 0 | None | 1 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 418 | 10 | 3 | 5 | 3.4 | O=C(O)CCCC[C@@H]1CC[C@H]2[C@H](C[C@@H](O)[C@@H]2/C=C/[C@@H](O)COc2ccccc2)OC1 | 10.1021/acsmedchemlett.6b00415 | ||
CHEMBL3976382 | 152580 | 0 | None | 1 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 418 | 10 | 3 | 5 | 3.4 | O=C(O)CCCC[C@@H]1CC[C@H]2[C@H](C[C@@H](O)[C@@H]2/C=C/[C@@H](O)COc2ccccc2)OC1 | 10.1021/acsmedchemlett.6b00415 | ||
1959 | 652 | 34 | None | 1737 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 388 | 11 | 4 | 4 | 3.1 | OC(=O)CCC/C=C\C[C@H]1[C@@H](O)C[C@H]([C@@H]1/C=C/[C@H](CCc1ccccc1)O)O | 10.1021/acsmedchemlett.6b00415 | ||
5283081 | 652 | 34 | None | 1737 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 388 | 11 | 4 | 4 | 3.1 | OC(=O)CCC/C=C\C[C@H]1[C@@H](O)C[C@H]([C@@H]1/C=C/[C@H](CCc1ccccc1)O)O | 10.1021/acsmedchemlett.6b00415 | ||
CHEMBL3914661 | 652 | 34 | None | 1737 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 388 | 11 | 4 | 4 | 3.1 | OC(=O)CCC/C=C\C[C@H]1[C@@H](O)C[C@H]([C@@H]1/C=C/[C@H](CCc1ccccc1)O)O | 10.1021/acsmedchemlett.6b00415 | ||
1884 | 3034 | 46 | None | -2 | 9 | Mouse | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 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 | 10.1016/j.bmcl.2012.12.058 | ||
5280363 | 3034 | 46 | None | -2 | 9 | Mouse | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 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 | 10.1016/j.bmcl.2012.12.058 | ||
912 | 3034 | 46 | None | -2 | 9 | Mouse | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 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 | 10.1016/j.bmcl.2012.12.058 | ||
CHEMBL815 | 3034 | 46 | None | -2 | 9 | Mouse | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 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 | 10.1016/j.bmcl.2012.12.058 | ||
DB12789 | 3034 | 46 | None | -2 | 9 | Mouse | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 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 | 10.1016/j.bmcl.2012.12.058 | ||
13174090 | 151598 | 8 | None | -17 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 388 | 11 | 3 | 5 | 2.8 | O=C(O)CCC/C=C\C[C@H]1C(=O)C[C@@H](O)[C@@H]1/C=C/[C@@H](O)COc1ccccc1 | 10.1021/acsmedchemlett.6b00415 | ||
CHEMBL3967903 | 151598 | 8 | None | -17 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 388 | 11 | 3 | 5 | 2.8 | O=C(O)CCC/C=C\C[C@H]1C(=O)C[C@@H](O)[C@@H]1/C=C/[C@@H](O)COc1ccccc1 | 10.1021/acsmedchemlett.6b00415 | ||
14429703 | 141840 | 0 | None | -5248 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 467 | 12 | 4 | 7 | 1.5 | CS(=O)(=O)NC(=O)CCC/C=C\C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1/C=C/[C@@H](O)COc1ccccc1 | 10.1021/acsmedchemlett.6b00415 | ||
CHEMBL3889508 | 141840 | 0 | None | -5248 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 467 | 12 | 4 | 7 | 1.5 | CS(=O)(=O)NC(=O)CCC/C=C\C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1/C=C/[C@@H](O)COc1ccccc1 | 10.1021/acsmedchemlett.6b00415 | ||
44393462 | 66513 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 458 | 12 | 3 | 5 | 4.0 | O=C(O)CCCC/C=C\C[C@H]1[C@@H](O)CO[C@@H]1/C=C/[C@@H](O)COc1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2004.06.037 | ||
CHEMBL186192 | 66513 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 458 | 12 | 3 | 5 | 4.0 | O=C(O)CCCC/C=C\C[C@H]1[C@@H](O)CO[C@@H]1/C=C/[C@@H](O)COc1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2004.06.037 | ||
44393438 | 65833 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 424 | 12 | 3 | 5 | 3.6 | O=C(O)CCCC/C=C\C[C@H]1[C@@H](O)CO[C@@H]1/C=C/[C@H](O)COc1cccc(Cl)c1 | 10.1016/j.bmcl.2004.06.037 | ||
CHEMBL184264 | 65833 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 424 | 12 | 3 | 5 | 3.6 | O=C(O)CCCC/C=C\C[C@H]1[C@@H](O)CO[C@@H]1/C=C/[C@H](O)COc1cccc(Cl)c1 | 10.1016/j.bmcl.2004.06.037 | ||
71552665 | 86649 | 0 | None | - | 1 | Mouse | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 450 | 9 | 4 | 8 | 0.9 | NS(=O)(=O)c1ccc(-n2cc([C@H]3[C@H](O)C[C@H](O)[C@@H]3C/C=C\CCCC(=O)O)nn2)cc1 | 10.1016/j.bmcl.2012.12.058 | ||
CHEMBL2326219 | 86649 | 0 | None | - | 1 | Mouse | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 450 | 9 | 4 | 8 | 0.9 | NS(=O)(=O)c1ccc(-n2cc([C@H]3[C@H](O)C[C@H](O)[C@@H]3C/C=C\CCCC(=O)O)nn2)cc1 | 10.1016/j.bmcl.2012.12.058 | ||
6438324 | 66358 | 2 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 500 | 12 | 3 | 6 | 4.4 | CC(C)OC(=O)CCC/C=C/C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1/C=C/C(O)COc1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2004.06.037 | ||
CHEMBL185484 | 66358 | 2 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 500 | 12 | 3 | 6 | 4.4 | CC(C)OC(=O)CCC/C=C/C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1/C=C/C(O)COc1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2004.06.037 | ||
68749474 | 145700 | 0 | None | -1 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 390 | 8 | 3 | 5 | 2.8 | O=C(O)CC[C@H]1CCC[C@H]2[C@H](C[C@@H](O)[C@@H]2/C=C/[C@@H](O)COc2ccccc2)O1 | 10.1021/acsmedchemlett.6b00415 | ||
CHEMBL3920347 | 145700 | 0 | None | -1 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 390 | 8 | 3 | 5 | 2.8 | O=C(O)CC[C@H]1CCC[C@H]2[C@H](C[C@@H](O)[C@@H]2/C=C/[C@@H](O)COc2ccccc2)O1 | 10.1021/acsmedchemlett.6b00415 | ||
44393448 | 65249 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 424 | 12 | 3 | 5 | 3.6 | O=C(O)CC/C=C\CCC[C@H]1[C@@H](O)CO[C@@H]1/C=C/[C@@H](O)COc1cccc(Cl)c1 | 10.1016/j.bmcl.2004.06.037 | ||
CHEMBL183193 | 65249 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 424 | 12 | 3 | 5 | 3.6 | O=C(O)CC/C=C\CCC[C@H]1[C@@H](O)CO[C@@H]1/C=C/[C@@H](O)COc1cccc(Cl)c1 | 10.1016/j.bmcl.2004.06.037 | ||
44393474 | 122477 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 340 | 12 | 3 | 4 | 3.1 | CCCCC[C@H](O)/C=C/[C@H]1OC[C@H](O)[C@@H]1C/C=C\CCCC(=O)O | 10.1016/j.bmcl.2004.06.037 | ||
CHEMBL360869 | 122477 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 340 | 12 | 3 | 4 | 3.1 | CCCCC[C@H](O)/C=C/[C@H]1OC[C@H](O)[C@@H]1C/C=C\CCCC(=O)O | 10.1016/j.bmcl.2004.06.037 | ||
1884 | 3034 | 46 | None | -2 | 9 | Mouse | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 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 | 10.1016/j.bmc.2008.11.070 | ||
5280363 | 3034 | 46 | None | -2 | 9 | Mouse | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 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 | 10.1016/j.bmc.2008.11.070 | ||
912 | 3034 | 46 | None | -2 | 9 | Mouse | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 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 | 10.1016/j.bmc.2008.11.070 | ||
CHEMBL815 | 3034 | 46 | None | -2 | 9 | Mouse | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 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 | 10.1016/j.bmc.2008.11.070 | ||
DB12789 | 3034 | 46 | None | -2 | 9 | Mouse | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 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 | 10.1016/j.bmc.2008.11.070 | ||
1884 | 3034 | 46 | None | -2 | 9 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 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 | 10.1016/j.bmcl.2004.06.037 | ||
5280363 | 3034 | 46 | None | -2 | 9 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 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 | 10.1016/j.bmcl.2004.06.037 | ||
912 | 3034 | 46 | None | -2 | 9 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 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 | 10.1016/j.bmcl.2004.06.037 | ||
CHEMBL815 | 3034 | 46 | None | -2 | 9 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 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 | 10.1016/j.bmcl.2004.06.037 | ||
DB12789 | 3034 | 46 | None | -2 | 9 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 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 | 10.1016/j.bmcl.2004.06.037 | ||
44393451 | 167687 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 424 | 12 | 3 | 5 | 3.6 | O=C(O)CC/C=C\CCC[C@H]1[C@@H](O)CO[C@@H]1/C=C/[C@H](O)COc1cccc(Cl)c1 | 10.1016/j.bmcl.2004.06.037 | ||
CHEMBL433752 | 167687 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 424 | 12 | 3 | 5 | 3.6 | O=C(O)CC/C=C\CCC[C@H]1[C@@H](O)CO[C@@H]1/C=C/[C@H](O)COc1cccc(Cl)c1 | 10.1016/j.bmcl.2004.06.037 | ||
1883 | 3033 | 71 | None | -162 | 10 | Human | 6.6 | pEC50 | = | 6.6 | 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 | -162 | 10 | Human | 6.6 | pEC50 | = | 6.6 | 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 | -162 | 10 | Human | 6.6 | pEC50 | = | 6.6 | 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 | -162 | 10 | Human | 6.6 | pEC50 | = | 6.6 | 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 | -162 | 10 | Human | 6.6 | pEC50 | = | 6.6 | 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 | -162 | 10 | Human | 6.6 | pEC50 | = | 6.6 | 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 | ||
44393422 | 123886 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 390 | 12 | 3 | 5 | 3.0 | O=C(O)CC/C=C\CCC[C@H]1[C@@H](O)CO[C@@H]1/C=C/[C@H](O)COc1ccccc1 | 10.1016/j.bmcl.2004.06.037 | ||
CHEMBL363946 | 123886 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 390 | 12 | 3 | 5 | 3.0 | O=C(O)CC/C=C\CCC[C@H]1[C@@H](O)CO[C@@H]1/C=C/[C@H](O)COc1ccccc1 | 10.1016/j.bmcl.2004.06.037 | ||
56839536 | 142637 | 0 | None | -15 | 7 | Human | 6.6 | pEC50 | = | 6.6 | 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 | -15 | 7 | Human | 6.6 | pEC50 | = | 6.6 | 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 | ||
56839342 | 148475 | 0 | None | -26 | 7 | Human | 6.6 | pEC50 | = | 6.6 | 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 | -26 | 7 | Human | 6.6 | pEC50 | = | 6.6 | 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 | ||
68747479 | 151589 | 0 | None | -7 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 404 | 9 | 3 | 5 | 3.0 | 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)OC1 | 10.1021/acsmedchemlett.6b00415 | ||
CHEMBL3967855 | 151589 | 0 | None | -7 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 404 | 9 | 3 | 5 | 3.0 | 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)OC1 | 10.1021/acsmedchemlett.6b00415 | ||
134147356 | 149080 | 0 | None | -123 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 404 | 9 | 3 | 5 | 3.0 | 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)OC1 | 10.1021/acsmedchemlett.6b00415 | ||
CHEMBL3947086 | 149080 | 0 | None | -123 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 404 | 9 | 3 | 5 | 3.0 | 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)OC1 | 10.1021/acsmedchemlett.6b00415 | ||
44393601 | 64529 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 390 | 12 | 3 | 5 | 3.0 | O=C(O)CCCC/C=C\C[C@H]1[C@@H](O)CO[C@@H]1/C=C/[C@@H](O)COc1ccccc1 | 10.1016/j.bmcl.2004.06.037 | ||
CHEMBL182117 | 64529 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 390 | 12 | 3 | 5 | 3.0 | O=C(O)CCCC/C=C\C[C@H]1[C@@H](O)CO[C@@H]1/C=C/[C@@H](O)COc1ccccc1 | 10.1016/j.bmcl.2004.06.037 | ||
44564518 | 192566 | 0 | None | - | 1 | Mouse | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 394 | 12 | 4 | 6 | 1.8 | O=C(O)CCC/C=C\C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1OC[C@@H](O)COc1ccccc1 | 10.1016/j.bmc.2008.11.070 | ||
CHEMBL523143 | 192566 | 0 | None | - | 1 | Mouse | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 394 | 12 | 4 | 6 | 1.8 | O=C(O)CCC/C=C\C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1OC[C@@H](O)COc1ccccc1 | 10.1016/j.bmc.2008.11.070 | ||
1940 | 1633 | 38 | None | 933 | 2 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 458 | 11 | 4 | 5 | 3.6 | OC(=O)CCC/C=C\C[C@H]1[C@@H](O)C[C@H]([C@@H]1/C=C/[C@H](COc1cccc(c1)C(F)(F)F)O)O | 10.1021/acsmedchemlett.6b00415 | ||
3417 | 1633 | 38 | None | 933 | 2 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 458 | 11 | 4 | 5 | 3.6 | OC(=O)CCC/C=C\C[C@H]1[C@@H](O)C[C@H]([C@@H]1/C=C/[C@H](COc1cccc(c1)C(F)(F)F)O)O | 10.1021/acsmedchemlett.6b00415 | ||
5311100 | 1633 | 38 | None | 933 | 2 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 458 | 11 | 4 | 5 | 3.6 | OC(=O)CCC/C=C\C[C@H]1[C@@H](O)C[C@H]([C@@H]1/C=C/[C@H](COc1cccc(c1)C(F)(F)F)O)O | 10.1021/acsmedchemlett.6b00415 | ||
CHEMBL1201379 | 1633 | 38 | None | 933 | 2 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 458 | 11 | 4 | 5 | 3.6 | OC(=O)CCC/C=C\C[C@H]1[C@@H](O)C[C@H]([C@@H]1/C=C/[C@H](COc1cccc(c1)C(F)(F)F)O)O | 10.1021/acsmedchemlett.6b00415 | ||
DB11519 | 1633 | 38 | None | 933 | 2 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 458 | 11 | 4 | 5 | 3.6 | OC(=O)CCC/C=C\C[C@H]1[C@@H](O)C[C@H]([C@@H]1/C=C/[C@H](COc1cccc(c1)C(F)(F)F)O)O | 10.1021/acsmedchemlett.6b00415 | ||
68785185 | 150283 | 0 | None | 7 | 3 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 390 | 8 | 3 | 5 | 2.8 | O=C(O)CC[C@@H]1CCC[C@H]2[C@H](C[C@@H](O)[C@@H]2/C=C/[C@@H](O)COc2ccccc2)O1 | 10.1021/acsmedchemlett.6b00415 | ||
CHEMBL3956817 | 150283 | 0 | None | 7 | 3 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 390 | 8 | 3 | 5 | 2.8 | O=C(O)CC[C@@H]1CCC[C@H]2[C@H](C[C@@H](O)[C@@H]2/C=C/[C@@H](O)COc2ccccc2)O1 | 10.1021/acsmedchemlett.6b00415 | ||
1960 | 2253 | 38 | None | - | 1 | Mouse | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 390 | 12 | 4 | 4 | 3.3 | O[C@@H](CCc1ccccc1)CC[C@H]1[C@H](O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.bmc.2008.11.070 | ||
6441636 | 2253 | 38 | None | - | 1 | Mouse | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 390 | 12 | 4 | 4 | 3.3 | O[C@@H](CCc1ccccc1)CC[C@H]1[C@H](O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.bmc.2008.11.070 | ||
CHEMBL1050 | 2253 | 38 | None | - | 1 | Mouse | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 390 | 12 | 4 | 4 | 3.3 | O[C@@H](CCc1ccccc1)CC[C@H]1[C@H](O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.bmc.2008.11.070 | ||
127052613 | 139676 | 0 | None | -39 | 6 | Human | 7.5 | pEC50 | = | 7.5 | 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 | -39 | 6 | Human | 7.5 | pEC50 | = | 7.5 | 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 | ||
5282380 | 124523 | 38 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 432 | 13 | 3 | 5 | 4.2 | CC(C)OC(=O)CCC/C=C/C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1CC[C@@H](O)CCc1ccccc1 | 10.1016/j.bmcl.2004.06.037 | ||
CHEMBL364375 | 124523 | 38 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 432 | 13 | 3 | 5 | 4.2 | CC(C)OC(=O)CCC/C=C/C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1CC[C@@H](O)CCc1ccccc1 | 10.1016/j.bmcl.2004.06.037 | ||
56649302 | 152134 | 0 | None | -9 | 6 | Human | 6.5 | pEC50 | = | 6.5 | 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 | -9 | 6 | Human | 6.5 | pEC50 | = | 6.5 | 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 | ||
56839344 | 151519 | 0 | None | -1202 | 8 | Human | 6.4 | pEC50 | = | 6.4 | 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 | -1202 | 8 | Human | 6.4 | pEC50 | = | 6.4 | 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 | ||
127052614 | 139696 | 0 | None | -97 | 6 | Human | 6.4 | pEC50 | = | 6.4 | 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 | -97 | 6 | Human | 6.4 | pEC50 | = | 6.4 | 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 | ||
71552411 | 86631 | 0 | None | - | 1 | Mouse | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 516 | 14 | 5 | 9 | 2.1 | CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)Nc1nnc(S(N)(=O)=O)s1 | 10.1016/j.bmcl.2012.12.058 | ||
CHEMBL2325977 | 86631 | 0 | None | - | 1 | Mouse | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 516 | 14 | 5 | 9 | 2.1 | CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)Nc1nnc(S(N)(=O)=O)s1 | 10.1016/j.bmcl.2012.12.058 | ||
6443852 | 153314 | 5 | None | -1 | 3 | Human | 8.4 | pEC50 | = | 8.4 | 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.6b00415 | ||
CHEMBL3982726 | 153314 | 5 | None | -1 | 3 | Human | 8.4 | pEC50 | = | 8.4 | 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.6b00415 | ||
134138103 | 147347 | 0 | None | 12 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 418 | 10 | 3 | 5 | 3.4 | O=C(O)CCCC[C@H]1CC[C@H]2[C@H](C[C@@H](O)[C@@H]2/C=C/[C@@H](O)COc2ccccc2)OC1 | 10.1021/acsmedchemlett.6b00415 | ||
CHEMBL3933326 | 147347 | 0 | None | 12 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 418 | 10 | 3 | 5 | 3.4 | O=C(O)CCCC[C@H]1CC[C@H]2[C@H](C[C@@H](O)[C@@H]2/C=C/[C@@H](O)COc2ccccc2)OC1 | 10.1021/acsmedchemlett.6b00415 | ||
56839343 | 143747 | 0 | None | -12 | 6 | Human | 6.3 | pEC50 | = | 6.3 | 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 | -12 | 6 | Human | 6.3 | pEC50 | = | 6.3 | 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 | ||
44564468 | 192105 | 0 | None | - | 1 | Mouse | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 460 | 12 | 4 | 5 | 3.3 | O=C(O)CCC/C=C\C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1OC[C@H](O)CCc1cccc(C(F)(F)F)c1 | 10.1016/j.bmc.2008.11.070 | ||
CHEMBL521964 | 192105 | 0 | None | - | 1 | Mouse | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 460 | 12 | 4 | 5 | 3.3 | O=C(O)CCC/C=C\C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1OC[C@H](O)CCc1cccc(C(F)(F)F)c1 | 10.1016/j.bmc.2008.11.070 | ||
5311239 | 130096 | 22 | None | 5 | 3 | Human | 5.3 | pEC50 | = | 5.3 | Functional | 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 | 10.1016/s0960-894x(00)00273-0 | ||
CHEMBL36817 | 130096 | 22 | None | 5 | 3 | Human | 5.3 | pEC50 | = | 5.3 | Functional | 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 | 10.1016/s0960-894x(00)00273-0 | ||
9845493 | 186522 | 0 | None | - | 1 | Mouse | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 428 | 12 | 4 | 6 | 2.4 | O=C(O)CCC/C=C\C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1OC[C@@H](O)COc1cccc(Cl)c1 | 10.1016/j.bmc.2008.11.070 | ||
CHEMBL491474 | 186522 | 0 | None | - | 1 | Mouse | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 428 | 12 | 4 | 6 | 2.4 | O=C(O)CCC/C=C\C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1OC[C@@H](O)COc1cccc(Cl)c1 | 10.1016/j.bmc.2008.11.070 | ||
68747456 | 145233 | 0 | None | 5 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 388 | 8 | 3 | 5 | 2.6 | O=C(O)CCC1=CC[C@H]2[C@H](C[C@@H](O)[C@@H]2/C=C/[C@@H](O)COc2ccccc2)OC1 | 10.1021/acsmedchemlett.6b00415 | ||
CHEMBL3916674 | 145233 | 0 | None | 5 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 388 | 8 | 3 | 5 | 2.6 | O=C(O)CCC1=CC[C@H]2[C@H](C[C@@H](O)[C@@H]2/C=C/[C@@H](O)COc2ccccc2)OC1 | 10.1021/acsmedchemlett.6b00415 | ||
44393420 | 65829 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 390 | 12 | 3 | 5 | 3.0 | O=C(O)CC/C=C\CCC[C@H]1[C@@H](O)CO[C@@H]1/C=C/[C@@H](O)COc1ccccc1 | 10.1016/j.bmcl.2004.06.037 | ||
CHEMBL184249 | 65829 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 390 | 12 | 3 | 5 | 3.0 | O=C(O)CC/C=C\CCC[C@H]1[C@@H](O)CO[C@@H]1/C=C/[C@@H](O)COc1ccccc1 | 10.1016/j.bmcl.2004.06.037 | ||
44393607 | 97653 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 390 | 12 | 3 | 5 | 3.0 | O=C(O)CCCC/C=C\C[C@H]1[C@@H](O)CO[C@@H]1/C=C/[C@H](O)COc1ccccc1 | 10.1016/j.bmcl.2004.06.037 | ||
CHEMBL273444 | 97653 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 390 | 12 | 3 | 5 | 3.0 | O=C(O)CCCC/C=C\C[C@H]1[C@@H](O)CO[C@@H]1/C=C/[C@H](O)COc1ccccc1 | 10.1016/j.bmcl.2004.06.037 | ||
44393436 | 122468 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 424 | 12 | 3 | 5 | 3.6 | O=C(O)CCCC/C=C\C[C@H]1[C@@H](O)CO[C@@H]1/C=C/[C@@H](O)COc1cccc(Cl)c1 | 10.1016/j.bmcl.2004.06.037 | ||
CHEMBL360862 | 122468 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 424 | 12 | 3 | 5 | 3.6 | O=C(O)CCCC/C=C\C[C@H]1[C@@H](O)CO[C@@H]1/C=C/[C@@H](O)COc1cccc(Cl)c1 | 10.1016/j.bmcl.2004.06.037 | ||
1960 | 2253 | 38 | None | - | 1 | Mouse | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 390 | 12 | 4 | 4 | 3.3 | O[C@@H](CCc1ccccc1)CC[C@H]1[C@H](O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.bmcl.2012.12.058 | ||
6441636 | 2253 | 38 | None | - | 1 | Mouse | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 390 | 12 | 4 | 4 | 3.3 | O[C@@H](CCc1ccccc1)CC[C@H]1[C@H](O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.bmcl.2012.12.058 | ||
CHEMBL1050 | 2253 | 38 | None | - | 1 | Mouse | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 390 | 12 | 4 | 4 | 3.3 | O[C@@H](CCc1ccccc1)CC[C@H]1[C@H](O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.bmcl.2012.12.058 | ||
44564520 | 186207 | 0 | None | - | 1 | Mouse | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 428 | 12 | 4 | 6 | 2.4 | O=C(O)CCC/C=C\C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1OC[C@H](O)COc1cccc(Cl)c1 | 10.1016/j.bmc.2008.11.070 | ||
CHEMBL489109 | 186207 | 0 | None | - | 1 | Mouse | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 428 | 12 | 4 | 6 | 2.4 | O=C(O)CCC/C=C\C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1OC[C@H](O)COc1cccc(Cl)c1 | 10.1016/j.bmc.2008.11.070 | ||
9825293 | 99593 | 8 | None | 83 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 456 | 11 | 4 | 4 | 4.1 | O=C(O)CCC/C=C\C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1/C=C/[C@@H](O)CCc1cccc(C(F)(F)F)c1 | 10.1016/s0960-894x(00)00273-0 | ||
CHEMBL287080 | 99593 | 8 | None | 83 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 456 | 11 | 4 | 4 | 4.1 | O=C(O)CCC/C=C\C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1/C=C/[C@@H](O)CCc1cccc(C(F)(F)F)c1 | 10.1016/s0960-894x(00)00273-0 | ||
68747472 | 147251 | 0 | None | 7 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 402 | 9 | 3 | 5 | 3.0 | O=C(O)CCCC1=CC[C@H]2[C@H](C[C@@H](O)[C@@H]2/C=C/[C@@H](O)COc2ccccc2)OC1 | 10.1021/acsmedchemlett.6b00415 | ||
CHEMBL3932636 | 147251 | 0 | None | 7 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 402 | 9 | 3 | 5 | 3.0 | O=C(O)CCCC1=CC[C@H]2[C@H](C[C@@H](O)[C@@H]2/C=C/[C@@H](O)COc2ccccc2)OC1 | 10.1021/acsmedchemlett.6b00415 | ||
44393431 | 66374 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 458 | 12 | 3 | 5 | 4.0 | O=C(O)CC/C=C\CCC[C@H]1[C@@H](O)CO[C@@H]1/C=C/[C@@H](O)COc1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2004.06.037 | ||
CHEMBL185559 | 66374 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 458 | 12 | 3 | 5 | 4.0 | O=C(O)CC/C=C\CCC[C@H]1[C@@H](O)CO[C@@H]1/C=C/[C@@H](O)COc1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2004.06.037 | ||
44564519 | 186523 | 0 | None | - | 1 | Mouse | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 394 | 12 | 4 | 6 | 1.8 | O=C(O)CCC/C=C\C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1OC[C@H](O)COc1ccccc1 | 10.1016/j.bmc.2008.11.070 | ||
CHEMBL491475 | 186523 | 0 | None | - | 1 | Mouse | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 394 | 12 | 4 | 6 | 1.8 | O=C(O)CCC/C=C\C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1OC[C@H](O)COc1ccccc1 | 10.1016/j.bmc.2008.11.070 | ||
69753740 | 139692 | 0 | None | -1 | 5 | Human | 8.2 | pEC50 | = | 8.2 | 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.6b00415 | ||
CHEMBL3805134 | 139692 | 0 | None | -1 | 5 | Human | 8.2 | pEC50 | = | 8.2 | 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.6b00415 | ||
68751402 | 143705 | 0 | None | -5 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 416 | 10 | 3 | 5 | 3.3 | O=C(O)CCCCC1=CC[C@H]2[C@H](C[C@@H](O)[C@@H]2/C=C/[C@@H](O)COc2ccccc2)OC1 | 10.1021/acsmedchemlett.6b00415 | ||
CHEMBL3904644 | 143705 | 0 | None | -5 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 416 | 10 | 3 | 5 | 3.3 | O=C(O)CCCCC1=CC[C@H]2[C@H](C[C@@H](O)[C@@H]2/C=C/[C@@H](O)COc2ccccc2)OC1 | 10.1021/acsmedchemlett.6b00415 | ||
44393457 | 123700 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 458 | 12 | 3 | 5 | 4.0 | O=C(O)CC/C=C\CCC[C@H]1[C@@H](O)CO[C@@H]1/C=C/[C@H](O)COc1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2004.06.037 | ||
CHEMBL363439 | 123700 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 458 | 12 | 3 | 5 | 4.0 | O=C(O)CC/C=C\CCC[C@H]1[C@@H](O)CO[C@@H]1/C=C/[C@H](O)COc1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2004.06.037 | ||
1884 | 3034 | 46 | None | -2 | 9 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 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 | 10.1016/s0960-894x(00)00273-0 | ||
5280363 | 3034 | 46 | None | -2 | 9 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 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 | 10.1016/s0960-894x(00)00273-0 | ||
912 | 3034 | 46 | None | -2 | 9 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 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 | 10.1016/s0960-894x(00)00273-0 | ||
CHEMBL815 | 3034 | 46 | None | -2 | 9 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 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 | 10.1016/s0960-894x(00)00273-0 | ||
DB12789 | 3034 | 46 | None | -2 | 9 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 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 | 10.1016/s0960-894x(00)00273-0 | ||
10389527 | 152811 | 15 | None | 1122 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 460 | 13 | 4 | 4 | 4.6 | O=C(O)CCCCCC[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1CC[C@@H](O)CCc1cccc(C(F)(F)F)c1 | 10.1016/s0960-894x(00)00273-0 | ||
CHEMBL39784 | 152811 | 15 | None | 1122 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 460 | 13 | 4 | 4 | 4.6 | O=C(O)CCCCCC[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1CC[C@@H](O)CCc1cccc(C(F)(F)F)c1 | 10.1016/s0960-894x(00)00273-0 | ||
126495491 | 139695 | 0 | None | -660 | 4 | Human | 5.1 | pEC50 | = | 5.1 | 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 | -660 | 4 | Human | 5.1 | pEC50 | = | 5.1 | 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 | ||
134144861 | 150148 | 0 | None | 7 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 430 | 11 | 3 | 5 | 3.7 | O=C(O)CCCCCC1=CC[C@H]2[C@H](C[C@@H](O)[C@@H]2/C=C/[C@@H](O)COc2ccccc2)OC1 | 10.1021/acsmedchemlett.6b00415 | ||
CHEMBL3955821 | 150148 | 0 | None | 7 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 430 | 11 | 3 | 5 | 3.7 | O=C(O)CCCCCC1=CC[C@H]2[C@H](C[C@@H](O)[C@@H]2/C=C/[C@@H](O)COc2ccccc2)OC1 | 10.1021/acsmedchemlett.6b00415 | ||
44393443 | 66355 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 458 | 12 | 3 | 5 | 4.0 | O=C(O)CCCC/C=C\C[C@H]1[C@@H](O)CO[C@@H]1/C=C/[C@H](O)COc1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2004.06.037 | ||
CHEMBL185466 | 66355 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 458 | 12 | 3 | 5 | 4.0 | O=C(O)CCCC/C=C\C[C@H]1[C@@H](O)CO[C@@H]1/C=C/[C@H](O)COc1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2004.06.037 | ||
1955 | 16 | 1 | None | 1258 | 5 | Human | 8.1 | pEC50 | = | 8.1 | Functional | 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 | 10.1016/s0960-894x(00)00273-0 | ||
5311240 | 16 | 1 | None | 1258 | 5 | Human | 8.1 | pEC50 | = | 8.1 | Functional | 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 | 10.1016/s0960-894x(00)00273-0 | ||
CHEMBL36041 | 16 | 1 | None | 1258 | 5 | Human | 8.1 | pEC50 | = | 8.1 | Functional | 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 | 10.1016/s0960-894x(00)00273-0 | ||
6441607 | 154540 | 21 | None | -1 | 4 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 382 | 12 | 4 | 4 | 3.7 | CCCCC(C)(C)[C@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)O | 10.1016/s0960-894x(00)00273-0 | ||
CHEMBL40183 | 154540 | 21 | None | -1 | 4 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 382 | 12 | 4 | 4 | 3.7 | CCCCC(C)(C)[C@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)O | 10.1016/s0960-894x(00)00273-0 | ||
142451571 | 179834 | 0 | None | - | 1 | Human | 9.3 | pIC50 | = | 9.3 | Functional | ChEMBL | 585 | 9 | 2 | 4 | 7.0 | CCC1CCCN(c2nc3ccc(Br)cc3c(C(=O)NCC(CCC(=O)O)c3ccccc3Cl)c2C)C1 | 10.1021/acs.jmedchem.0c00834 | ||
CHEMBL4752237 | 179834 | 0 | None | - | 1 | Human | 9.3 | pIC50 | = | 9.3 | Functional | ChEMBL | 585 | 9 | 2 | 4 | 7.0 | CCC1CCCN(c2nc3ccc(Br)cc3c(C(=O)NCC(CCC(=O)O)c3ccccc3Cl)c2C)C1 | 10.1021/acs.jmedchem.0c00834 | ||
135357370 | 179641 | 0 | None | - | 1 | Human | 9.1 | pIC50 | = | 9.1 | Functional | ChEMBL | 593 | 8 | 2 | 4 | 6.6 | Cc1c(N2CCCCC2)nc2ccc(Br)cc2c1C(=O)NCC(CCC(=O)O)c1c(F)ccc(F)c1Cl | 10.1021/acs.jmedchem.0c00834 | ||
CHEMBL4749822 | 179641 | 0 | None | - | 1 | Human | 9.1 | pIC50 | = | 9.1 | Functional | ChEMBL | 593 | 8 | 2 | 4 | 6.6 | Cc1c(N2CCCCC2)nc2ccc(Br)cc2c1C(=O)NCC(CCC(=O)O)c1c(F)ccc(F)c1Cl | 10.1021/acs.jmedchem.0c00834 | ||
142451571 | 179834 | 0 | None | - | 1 | Human | 9.1 | pIC50 | = | 9.1 | Functional | ChEMBL | 585 | 9 | 2 | 4 | 7.0 | CCC1CCCN(c2nc3ccc(Br)cc3c(C(=O)NCC(CCC(=O)O)c3ccccc3Cl)c2C)C1 | 10.1021/acs.jmedchem.0c00834 | ||
CHEMBL4752237 | 179834 | 0 | None | - | 1 | Human | 9.1 | pIC50 | = | 9.1 | Functional | ChEMBL | 585 | 9 | 2 | 4 | 7.0 | CCC1CCCN(c2nc3ccc(Br)cc3c(C(=O)NCC(CCC(=O)O)c3ccccc3Cl)c2C)C1 | 10.1021/acs.jmedchem.0c00834 | ||
142451214 | 179635 | 0 | None | - | 1 | Human | 9.0 | pIC50 | = | 9.0 | Functional | ChEMBL | 586 | 8 | 2 | 3 | 7.3 | Cc1c(-c2ccccc2)nc2ccc(Br)cc2c1C(=O)NCC(CCC(=O)O)c1c(F)ccc(F)c1Cl | 10.1021/acs.jmedchem.0c00834 | ||
CHEMBL4749767 | 179635 | 0 | None | - | 1 | Human | 9.0 | pIC50 | = | 9.0 | Functional | ChEMBL | 586 | 8 | 2 | 3 | 7.3 | Cc1c(-c2ccccc2)nc2ccc(Br)cc2c1C(=O)NCC(CCC(=O)O)c1c(F)ccc(F)c1Cl | 10.1021/acs.jmedchem.0c00834 | ||
135357321 | 180016 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8 | Functional | ChEMBL | 564 | 9 | 2 | 3 | 7.4 | Cc1c(-c2ccccc2)nc2ccc(Br)cc2c1C(=O)NCC(CCCC(=O)O)c1ccccc1Cl | 10.1021/acs.jmedchem.0c00834 | ||
CHEMBL4754421 | 180016 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8 | Functional | ChEMBL | 564 | 9 | 2 | 3 | 7.4 | Cc1c(-c2ccccc2)nc2ccc(Br)cc2c1C(=O)NCC(CCCC(=O)O)c1ccccc1Cl | 10.1021/acs.jmedchem.0c00834 | ||
118948515 | 181944 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 477 | 4 | 2 | 3 | 5.5 | Cc1c(-c2ccccc2)nc2ccc(Br)cc2c1C(=O)Nc1ccc(C(N)=O)cc1F | 10.1021/acs.jmedchem.0c00834 | ||
CHEMBL4787228 | 181944 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 477 | 4 | 2 | 3 | 5.5 | Cc1c(-c2ccccc2)nc2ccc(Br)cc2c1C(=O)Nc1ccc(C(N)=O)cc1F | 10.1021/acs.jmedchem.0c00834 | ||
11283 | 579 | 6 | None | -1 | 4 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 543 | 8 | 2 | 4 | 5.9 | OC(=O)CC[C@H](c1ccccc1Cl)CNC(=O)c1c(C)c(nc2c1cc(Br)cc2)N1CCCC1 | 10.1021/acs.jmedchem.0c00834 | ||
146368333 | 579 | 6 | None | -1 | 4 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 543 | 8 | 2 | 4 | 5.9 | OC(=O)CC[C@H](c1ccccc1Cl)CNC(=O)c1c(C)c(nc2c1cc(Br)cc2)N1CCCC1 | 10.1021/acs.jmedchem.0c00834 | ||
CHEMBL4643852 | 579 | 6 | None | -1 | 4 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 543 | 8 | 2 | 4 | 5.9 | OC(=O)CC[C@H](c1ccccc1Cl)CNC(=O)c1c(C)c(nc2c1cc(Br)cc2)N1CCCC1 | 10.1021/acs.jmedchem.0c00834 | ||
142451571 | 179834 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 585 | 9 | 2 | 4 | 7.0 | CCC1CCCN(c2nc3ccc(Br)cc3c(C(=O)NCC(CCC(=O)O)c3ccccc3Cl)c2C)C1 | 10.1021/acs.jmedchem.0c00834 | ||
CHEMBL4752237 | 179834 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 585 | 9 | 2 | 4 | 7.0 | CCC1CCCN(c2nc3ccc(Br)cc3c(C(=O)NCC(CCC(=O)O)c3ccccc3Cl)c2C)C1 | 10.1021/acs.jmedchem.0c00834 | ||
162658978 | 180746 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 532 | 8 | 2 | 4 | 6.0 | COc1ccc(C(CNC(=O)c2c(C)c(-c3ccccc3)nc3ccc(Br)cc23)CC(=O)O)cc1 | 10.1021/acs.jmedchem.0c00834 | ||
CHEMBL4762787 | 180746 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 532 | 8 | 2 | 4 | 6.0 | COc1ccc(C(CNC(=O)c2c(C)c(-c3ccccc3)nc3ccc(Br)cc23)CC(=O)O)cc1 | 10.1021/acs.jmedchem.0c00834 | ||
118948617 | 178818 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 494 | 4 | 2 | 3 | 5.3 | Cc1c(C(=O)Nc2ccc(C(=O)O)cc2F)c2cc(Br)ccc2[n+]([O-])c1-c1ccccc1 | 10.1021/acs.jmedchem.0c00834 | ||
CHEMBL4739939 | 178818 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 494 | 4 | 2 | 3 | 5.3 | Cc1c(C(=O)Nc2ccc(C(=O)O)cc2F)c2cc(Br)ccc2[n+]([O-])c1-c1ccccc1 | 10.1021/acs.jmedchem.0c00834 | ||
142451618 | 178985 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 565 | 8 | 2 | 4 | 5.8 | Cc1c(N2CC(F)(F)C2)nc2ccc(Br)cc2c1C(=O)NCC(CCC(=O)O)c1ccccc1Cl | 10.1021/acs.jmedchem.0c00834 | ||
CHEMBL4741813 | 178985 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 565 | 8 | 2 | 4 | 5.8 | Cc1c(N2CC(F)(F)C2)nc2ccc(Br)cc2c1C(=O)NCC(CCC(=O)O)c1ccccc1Cl | 10.1021/acs.jmedchem.0c00834 | ||
135358158 | 180661 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 532 | 8 | 2 | 4 | 6.0 | COc1ccccc1C(CNC(=O)c1c(C)c(-c2ccccc2)nc2ccc(Br)cc12)CC(=O)O | 10.1021/acs.jmedchem.0c00834 | ||
CHEMBL4761670 | 180661 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 532 | 8 | 2 | 4 | 6.0 | COc1ccccc1C(CNC(=O)c1c(C)c(-c2ccccc2)nc2ccc(Br)cc12)CC(=O)O | 10.1021/acs.jmedchem.0c00834 | ||
CHEMBL1910324 | 207334 | 0 | None | -1 | 3 | Bovine | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | None | None | None | CC[C@@H](C)[C@@H](N)C(=O)N[C@H](CC(C)C)C(=O)NCC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCNC(N)=O)C(=O)N[C@H](CC(=O)O)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](CCCCN)C(=O)O | 10.1021/jm200608k | ||||
CHEMBL1910324 | 207334 | 0 | None | 1 | 3 | Mouse | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | None | None | None | CC[C@@H](C)[C@@H](N)C(=O)N[C@H](CC(C)C)C(=O)NCC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCNC(N)=O)C(=O)N[C@H](CC(=O)O)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](CCCCN)C(=O)O | 10.1021/jm200608k | ||||
CHEMBL1910324 | 207334 | 0 | None | -1 | 3 | Sheep | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | None | None | None | CC[C@@H](C)[C@@H](N)C(=O)N[C@H](CC(C)C)C(=O)NCC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCNC(N)=O)C(=O)N[C@H](CC(=O)O)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](CCCCN)C(=O)O | 10.1021/jm200608k | ||||
130405592 | 182157 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 477 | 4 | 2 | 2 | 6.7 | Cc1c(-c2ccccc2)cc2ccc(Br)cc2c1C(=O)Nc1ccc(C(=O)O)cc1F | 10.1021/acs.jmedchem.0c00834 | ||
CHEMBL4789967 | 182157 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 477 | 4 | 2 | 2 | 6.7 | Cc1c(-c2ccccc2)cc2ccc(Br)cc2c1C(=O)Nc1ccc(C(=O)O)cc1F | 10.1021/acs.jmedchem.0c00834 | ||
130405404 | 180169 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 456 | 4 | 2 | 3 | 6.6 | Cc1c(-c2ccccc2)nc2ccc(C(C)(C)C)cc2c1C(=O)Nc1ccc(C(=O)O)cc1F | 10.1021/acs.jmedchem.0c00834 | ||
CHEMBL4756068 | 180169 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 456 | 4 | 2 | 3 | 6.6 | Cc1c(-c2ccccc2)nc2ccc(C(C)(C)C)cc2c1C(=O)Nc1ccc(C(=O)O)cc1F | 10.1021/acs.jmedchem.0c00834 | ||
162659434 | 180666 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 488 | 6 | 1 | 3 | 6.5 | COc1ccccc1C(C)CNC(=O)c1c(C)c(-c2ccccc2)nc2ccc(Br)cc12 | 10.1021/acs.jmedchem.0c00834 | ||
CHEMBL4761725 | 180666 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 488 | 6 | 1 | 3 | 6.5 | COc1ccccc1C(C)CNC(=O)c1c(C)c(-c2ccccc2)nc2ccc(Br)cc12 | 10.1021/acs.jmedchem.0c00834 | ||
118948371 | 180854 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 460 | 4 | 2 | 3 | 5.9 | Cc1c(-c2ccccc2)nc2ccc(Br)cc2c1C(=O)Nc1ccc(C(=O)O)cc1 | 10.1021/acs.jmedchem.0c00834 | ||
CHEMBL4764092 | 180854 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 460 | 4 | 2 | 3 | 5.9 | Cc1c(-c2ccccc2)nc2ccc(Br)cc2c1C(=O)Nc1ccc(C(=O)O)cc1 | 10.1021/acs.jmedchem.0c00834 | ||
162653447 | 179917 | 0 | None | - | 1 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 459 | 5 | 0 | 3 | 5.7 | Cc1c(-c2ccccc2)nc2ccc(Br)cc2c1C(=O)N(C)CCc1ccccn1 | 10.1021/acs.jmedchem.0c00834 | ||
CHEMBL4753259 | 179917 | 0 | None | - | 1 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 459 | 5 | 0 | 3 | 5.7 | Cc1c(-c2ccccc2)nc2ccc(Br)cc2c1C(=O)N(C)CCc1ccccn1 | 10.1021/acs.jmedchem.0c00834 | ||
118948324 | 179277 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 498 | 4 | 2 | 3 | 6.4 | O=C(O)c1ccc(NC(=O)c2c(Cl)c(-c3ccccc3)nc3ccc(Br)cc23)c(F)c1 | 10.1021/acs.jmedchem.0c00834 | ||
CHEMBL4745363 | 179277 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 498 | 4 | 2 | 3 | 6.4 | O=C(O)c1ccc(NC(=O)c2c(Cl)c(-c3ccccc3)nc3ccc(Br)cc23)c(F)c1 | 10.1021/acs.jmedchem.0c00834 | ||
162671048 | 182225 | 0 | None | 2 | 2 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 451 | 5 | 1 | 4 | 5.4 | Cc1c(-c2cccs2)nc2ccc(Br)cc2c1C(=O)NCCc1cccnc1 | 10.1021/acs.jmedchem.0c00834 | ||
CHEMBL4790821 | 182225 | 0 | None | 2 | 2 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 451 | 5 | 1 | 4 | 5.4 | Cc1c(-c2cccs2)nc2ccc(Br)cc2c1C(=O)NCCc1cccnc1 | 10.1021/acs.jmedchem.0c00834 | ||
142451214 | 179635 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 586 | 8 | 2 | 3 | 7.3 | Cc1c(-c2ccccc2)nc2ccc(Br)cc2c1C(=O)NCC(CCC(=O)O)c1c(F)ccc(F)c1Cl | 10.1021/acs.jmedchem.0c00834 | ||
CHEMBL4749767 | 179635 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 586 | 8 | 2 | 3 | 7.3 | Cc1c(-c2ccccc2)nc2ccc(Br)cc2c1C(=O)NCC(CCC(=O)O)c1c(F)ccc(F)c1Cl | 10.1021/acs.jmedchem.0c00834 | ||
162655188 | 180135 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 459 | 5 | 1 | 3 | 5.9 | Cc1c(-c2ccccc2)nc2ccc(Br)cc2c1C(=O)NCC(C)c1ccccn1 | 10.1021/acs.jmedchem.0c00834 | ||
CHEMBL4755674 | 180135 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 459 | 5 | 1 | 3 | 5.9 | Cc1c(-c2ccccc2)nc2ccc(Br)cc2c1C(=O)NCC(C)c1ccccn1 | 10.1021/acs.jmedchem.0c00834 | ||
135357254 | 181192 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 532 | 8 | 2 | 4 | 6.0 | COc1cccc(C(CNC(=O)c2c(C)c(-c3ccccc3)nc3ccc(Br)cc23)CC(=O)O)c1 | 10.1021/acs.jmedchem.0c00834 | ||
CHEMBL4777724 | 181192 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 532 | 8 | 2 | 4 | 6.0 | COc1cccc(C(CNC(=O)c2c(C)c(-c3ccccc3)nc3ccc(Br)cc23)CC(=O)O)c1 | 10.1021/acs.jmedchem.0c00834 | ||
118948280 | 179773 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 434 | 4 | 2 | 3 | 6.0 | Cc1c(-c2ccccc2)nc2ccc(Cl)cc2c1C(=O)Nc1ccc(C(=O)O)cc1F | 10.1021/acs.jmedchem.0c00834 | ||
CHEMBL4751462 | 179773 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 434 | 4 | 2 | 3 | 6.0 | Cc1c(-c2ccccc2)nc2ccc(Cl)cc2c1C(=O)Nc1ccc(C(=O)O)cc1F | 10.1021/acs.jmedchem.0c00834 | ||
162644141 | 181258 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 445 | 5 | 1 | 3 | 5.3 | Cc1c(-c2ccccc2)nc2ccc(Br)cc2c1C(=O)NCCc1ccccn1 | 10.1021/acs.jmedchem.0c00834 | ||
CHEMBL4778430 | 181258 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 445 | 5 | 1 | 3 | 5.3 | Cc1c(-c2ccccc2)nc2ccc(Br)cc2c1C(=O)NCCc1ccccn1 | 10.1021/acs.jmedchem.0c00834 | ||
162655888 | 180170 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 464 | 5 | 2 | 3 | 6.4 | Cc1c(-c2ccccc2)nc2ccc(Br)cc2c1CNc1ccc(C(=O)O)cc1F | 10.1021/acs.jmedchem.0c00834 | ||
CHEMBL4756085 | 180170 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 464 | 5 | 2 | 3 | 6.4 | Cc1c(-c2ccccc2)nc2ccc(Br)cc2c1CNc1ccc(C(=O)O)cc1F | 10.1021/acs.jmedchem.0c00834 | ||
162659434 | 180666 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 488 | 6 | 1 | 3 | 6.5 | COc1ccccc1C(C)CNC(=O)c1c(C)c(-c2ccccc2)nc2ccc(Br)cc12 | 10.1021/acs.jmedchem.0c00834 | ||
CHEMBL4761725 | 180666 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 488 | 6 | 1 | 3 | 6.5 | COc1ccccc1C(C)CNC(=O)c1c(C)c(-c2ccccc2)nc2ccc(Br)cc12 | 10.1021/acs.jmedchem.0c00834 | ||
162671748 | 182228 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 465 | 5 | 1 | 3 | 6.4 | Cc1c(-c2ccccc2)nc2ccc(Br)cc2c1COc1ccc(C(=O)O)cc1F | 10.1021/acs.jmedchem.0c00834 | ||
CHEMBL4790875 | 182228 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 465 | 5 | 1 | 3 | 6.4 | Cc1c(-c2ccccc2)nc2ccc(Br)cc2c1COc1ccc(C(=O)O)cc1F | 10.1021/acs.jmedchem.0c00834 | ||
135357370 | 179641 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 593 | 8 | 2 | 4 | 6.6 | Cc1c(N2CCCCC2)nc2ccc(Br)cc2c1C(=O)NCC(CCC(=O)O)c1c(F)ccc(F)c1Cl | 10.1021/acs.jmedchem.0c00834 | ||
CHEMBL4749822 | 179641 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 593 | 8 | 2 | 4 | 6.6 | Cc1c(N2CCCCC2)nc2ccc(Br)cc2c1C(=O)NCC(CCC(=O)O)c1c(F)ccc(F)c1Cl | 10.1021/acs.jmedchem.0c00834 | ||
118947820 | 180156 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 478 | 4 | 2 | 3 | 6.1 | Cc1c(-c2ccccc2)nc2ccc(Br)cc2c1C(=O)Nc1ccc(C(=O)O)cc1F | 10.1021/acs.jmedchem.0c00834 | ||
CHEMBL4755942 | 180156 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 478 | 4 | 2 | 3 | 6.1 | Cc1c(-c2ccccc2)nc2ccc(Br)cc2c1C(=O)Nc1ccc(C(=O)O)cc1F | 10.1021/acs.jmedchem.0c00834 | ||
118948258 | 180527 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 504 | 5 | 2 | 3 | 6.6 | O=C(O)c1ccc(NC(=O)c2c(C3CC3)c(-c3ccccc3)nc3ccc(Br)cc23)c(F)c1 | 10.1021/acs.jmedchem.0c00834 | ||
CHEMBL4760232 | 180527 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 504 | 5 | 2 | 3 | 6.6 | O=C(O)c1ccc(NC(=O)c2c(C3CC3)c(-c3ccccc3)nc3ccc(Br)cc23)c(F)c1 | 10.1021/acs.jmedchem.0c00834 | ||
135357195 | 179067 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 522 | 6 | 2 | 3 | 6.2 | Cc1c(-c2ccccc2)nc2ccc(Br)cc2c1C(=O)NCC(C(=O)O)c1ccccc1Cl | 10.1021/acs.jmedchem.0c00834 | ||
CHEMBL4743035 | 179067 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 522 | 6 | 2 | 3 | 6.2 | Cc1c(-c2ccccc2)nc2ccc(Br)cc2c1C(=O)NCC(C(=O)O)c1ccccc1Cl | 10.1021/acs.jmedchem.0c00834 | ||
135357378 | 179193 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 536 | 7 | 2 | 3 | 6.6 | Cc1c(-c2ccccc2)nc2ccc(Br)cc2c1C(=O)NCC(CC(=O)O)c1ccccc1Cl | 10.1021/acs.jmedchem.0c00834 | ||
CHEMBL4744552 | 179193 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 536 | 7 | 2 | 3 | 6.6 | Cc1c(-c2ccccc2)nc2ccc(Br)cc2c1C(=O)NCC(CC(=O)O)c1ccccc1Cl | 10.1021/acs.jmedchem.0c00834 | ||
162649924 | 179533 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 445 | 5 | 1 | 3 | 5.3 | Cc1c(-c2ccccc2)nc2ccc(Br)cc2c1C(=O)NCCc1cccnc1 | 10.1021/acs.jmedchem.0c00834 | ||
CHEMBL4748513 | 179533 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 445 | 5 | 1 | 3 | 5.3 | Cc1c(-c2ccccc2)nc2ccc(Br)cc2c1C(=O)NCCc1cccnc1 | 10.1021/acs.jmedchem.0c00834 | ||
135357378 | 179193 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 536 | 7 | 2 | 3 | 6.6 | Cc1c(-c2ccccc2)nc2ccc(Br)cc2c1C(=O)NCC(CC(=O)O)c1ccccc1Cl | 10.1021/acs.jmedchem.0c00834 | ||
CHEMBL4744552 | 179193 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 536 | 7 | 2 | 3 | 6.6 | Cc1c(-c2ccccc2)nc2ccc(Br)cc2c1C(=O)NCC(CC(=O)O)c1ccccc1Cl | 10.1021/acs.jmedchem.0c00834 | ||
135357195 | 179067 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 522 | 6 | 2 | 3 | 6.2 | Cc1c(-c2ccccc2)nc2ccc(Br)cc2c1C(=O)NCC(C(=O)O)c1ccccc1Cl | 10.1021/acs.jmedchem.0c00834 | ||
CHEMBL4743035 | 179067 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 522 | 6 | 2 | 3 | 6.2 | Cc1c(-c2ccccc2)nc2ccc(Br)cc2c1C(=O)NCC(C(=O)O)c1ccccc1Cl | 10.1021/acs.jmedchem.0c00834 | ||
142451544 | 181784 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 571 | 8 | 2 | 4 | 6.7 | Cc1c(N2CCCCCC2)nc2ccc(Br)cc2c1C(=O)NCC(CCC(=O)O)c1ccccc1Cl | 10.1021/acs.jmedchem.0c00834 | ||
CHEMBL4784864 | 181784 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 571 | 8 | 2 | 4 | 6.7 | Cc1c(N2CCCCCC2)nc2ccc(Br)cc2c1C(=O)NCC(CCC(=O)O)c1ccccc1Cl | 10.1021/acs.jmedchem.0c00834 | ||
135357321 | 180016 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 564 | 9 | 2 | 3 | 7.4 | Cc1c(-c2ccccc2)nc2ccc(Br)cc2c1C(=O)NCC(CCCC(=O)O)c1ccccc1Cl | 10.1021/acs.jmedchem.0c00834 | ||
CHEMBL4754421 | 180016 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 564 | 9 | 2 | 3 | 7.4 | Cc1c(-c2ccccc2)nc2ccc(Br)cc2c1C(=O)NCC(CCCC(=O)O)c1ccccc1Cl | 10.1021/acs.jmedchem.0c00834 | ||
142451565 | 181344 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 557 | 8 | 2 | 4 | 6.3 | Cc1c(N2CCCCC2)nc2ccc(Br)cc2c1C(=O)NCC(CCC(=O)O)c1ccccc1Cl | 10.1021/acs.jmedchem.0c00834 | ||
CHEMBL4779694 | 181344 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 557 | 8 | 2 | 4 | 6.3 | Cc1c(N2CCCCC2)nc2ccc(Br)cc2c1C(=O)NCC(CCC(=O)O)c1ccccc1Cl | 10.1021/acs.jmedchem.0c00834 | ||
130405858 | 180460 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 494 | 4 | 2 | 4 | 5.2 | Cc1c(C(=O)Nc2ccc(C(=O)O)cc2F)c2cc(Br)ccc2c(=O)n1-c1ccccc1 | 10.1021/acs.jmedchem.0c00834 | ||
CHEMBL4759438 | 180460 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 494 | 4 | 2 | 4 | 5.2 | Cc1c(C(=O)Nc2ccc(C(=O)O)cc2F)c2cc(Br)ccc2c(=O)n1-c1ccccc1 | 10.1021/acs.jmedchem.0c00834 | ||
142451544 | 181784 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 571 | 8 | 2 | 4 | 6.7 | Cc1c(N2CCCCCC2)nc2ccc(Br)cc2c1C(=O)NCC(CCC(=O)O)c1ccccc1Cl | 10.1021/acs.jmedchem.0c00834 | ||
CHEMBL4784864 | 181784 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 571 | 8 | 2 | 4 | 6.7 | Cc1c(N2CCCCCC2)nc2ccc(Br)cc2c1C(=O)NCC(CCC(=O)O)c1ccccc1Cl | 10.1021/acs.jmedchem.0c00834 | ||
162651877 | 179669 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 502 | 4 | 2 | 5 | 5.5 | Cc1c(-c2ccccc2)nc2ccc(Br)cc2c1C(=O)Nc1ccc(-c2nnn[nH]2)cc1F | 10.1021/acs.jmedchem.0c00834 | ||
CHEMBL4750252 | 179669 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 502 | 4 | 2 | 5 | 5.5 | Cc1c(-c2ccccc2)nc2ccc(Br)cc2c1C(=O)Nc1ccc(-c2nnn[nH]2)cc1F | 10.1021/acs.jmedchem.0c00834 | ||
142451565 | 181344 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 557 | 8 | 2 | 4 | 6.3 | Cc1c(N2CCCCC2)nc2ccc(Br)cc2c1C(=O)NCC(CCC(=O)O)c1ccccc1Cl | 10.1021/acs.jmedchem.0c00834 | ||
CHEMBL4779694 | 181344 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 557 | 8 | 2 | 4 | 6.3 | Cc1c(N2CCCCC2)nc2ccc(Br)cc2c1C(=O)NCC(CCC(=O)O)c1ccccc1Cl | 10.1021/acs.jmedchem.0c00834 | ||
162664851 | 181552 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 459 | 5 | 1 | 3 | 5.7 | Cc1c(-c2ccccc2)nc2ccc(Br)cc2c1C(=O)NC(C)Cc1ccccn1 | 10.1021/acs.jmedchem.0c00834 | ||
CHEMBL4782206 | 181552 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 459 | 5 | 1 | 3 | 5.7 | Cc1c(-c2ccccc2)nc2ccc(Br)cc2c1C(=O)NC(C)Cc1ccccn1 | 10.1021/acs.jmedchem.0c00834 | ||
130405401 | 179699 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 526 | 4 | 2 | 3 | 5.9 | Cc1c(-c2ccccc2)nc2ccc(I)cc2c1C(=O)Nc1ccc(C(=O)O)cc1F | 10.1021/acs.jmedchem.0c00834 | ||
CHEMBL4750703 | 179699 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 526 | 4 | 2 | 3 | 5.9 | Cc1c(-c2ccccc2)nc2ccc(I)cc2c1C(=O)Nc1ccc(C(=O)O)cc1F | 10.1021/acs.jmedchem.0c00834 | ||
122551092 | 182092 | 1 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 492 | 4 | 2 | 3 | 5.9 | Cc1c(-c2ccccc2)nc2ccc(Br)cc2c1C(=O)NC12CCC(C(=O)O)(CC1)CC2 | 10.1021/acs.jmedchem.0c00834 | ||
CHEMBL4789100 | 182092 | 1 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 492 | 4 | 2 | 3 | 5.9 | Cc1c(-c2ccccc2)nc2ccc(Br)cc2c1C(=O)NC12CCC(C(=O)O)(CC1)CC2 | 10.1021/acs.jmedchem.0c00834 | ||
162651613 | 179705 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 543 | 8 | 2 | 4 | 5.9 | Cc1c(N2CCCC2)nc2ccc(Br)cc2c1C(=O)NC[C@@H](CCC(=O)O)c1ccccc1Cl | 10.1021/acs.jmedchem.0c00834 | ||
CHEMBL4750758 | 179705 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 543 | 8 | 2 | 4 | 5.9 | Cc1c(N2CCCC2)nc2ccc(Br)cc2c1C(=O)NC[C@@H](CCC(=O)O)c1ccccc1Cl | 10.1021/acs.jmedchem.0c00834 | ||
142451571 | 179834 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 585 | 9 | 2 | 4 | 7.0 | CCC1CCCN(c2nc3ccc(Br)cc3c(C(=O)NCC(CCC(=O)O)c3ccccc3Cl)c2C)C1 | 10.1021/acs.jmedchem.0c00834 | ||
CHEMBL4752237 | 179834 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 585 | 9 | 2 | 4 | 7.0 | CCC1CCCN(c2nc3ccc(Br)cc3c(C(=O)NCC(CCC(=O)O)c3ccccc3Cl)c2C)C1 | 10.1021/acs.jmedchem.0c00834 | ||
135357792 | 179090 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 550 | 8 | 2 | 3 | 7.0 | Cc1c(-c2ccccc2)nc2ccc(Br)cc2c1C(=O)NCC(CCC(=O)O)c1ccccc1Cl | 10.1021/acs.jmedchem.0c00834 | ||
CHEMBL4743411 | 179090 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 550 | 8 | 2 | 3 | 7.0 | Cc1c(-c2ccccc2)nc2ccc(Br)cc2c1C(=O)NCC(CCC(=O)O)c1ccccc1Cl | 10.1021/acs.jmedchem.0c00834 | ||
135357792 | 179090 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 550 | 8 | 2 | 3 | 7.0 | Cc1c(-c2ccccc2)nc2ccc(Br)cc2c1C(=O)NCC(CCC(=O)O)c1ccccc1Cl | 10.1021/acs.jmedchem.0c00834 | ||
CHEMBL4743411 | 179090 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 550 | 8 | 2 | 3 | 7.0 | Cc1c(-c2ccccc2)nc2ccc(Br)cc2c1C(=O)NCC(CCC(=O)O)c1ccccc1Cl | 10.1021/acs.jmedchem.0c00834 | ||
135358158 | 180661 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 532 | 8 | 2 | 4 | 6.0 | COc1ccccc1C(CNC(=O)c1c(C)c(-c2ccccc2)nc2ccc(Br)cc12)CC(=O)O | 10.1021/acs.jmedchem.0c00834 | ||
CHEMBL4761670 | 180661 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 532 | 8 | 2 | 4 | 6.0 | COc1ccccc1C(CNC(=O)c1c(C)c(-c2ccccc2)nc2ccc(Br)cc12)CC(=O)O | 10.1021/acs.jmedchem.0c00834 | ||
118948479 | 181579 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 468 | 4 | 2 | 3 | 6.3 | Cc1c(-c2ccccc2)nc2ccc(C(F)(F)F)cc2c1C(=O)Nc1ccc(C(=O)O)cc1F | 10.1021/acs.jmedchem.0c00834 | ||
CHEMBL4782468 | 181579 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 468 | 4 | 2 | 3 | 6.3 | Cc1c(-c2ccccc2)nc2ccc(C(F)(F)F)cc2c1C(=O)Nc1ccc(C(=O)O)cc1F | 10.1021/acs.jmedchem.0c00834 | ||
10402929 | 57239 | 0 | None | - | 0 | Human | 4.4 | pKi | = | 4.4 | 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 | 4.4 | pKi | = | 4.4 | 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 | 4.2 | pKi | = | 4.2 | 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 | 4.2 | pKi | = | 4.2 | Functional | ChEMBL | 306 | 4 | 1 | 1 | 4.7 | O=C(O)/C=C/c1ccccc1Cc1ccc(Cl)cc1Cl | 10.1016/s0960-894x(01)00056-7 | ||
9817405 | 164851 | 2 | None | - | 0 | Human | 4.2 | pKi | = | 4.2 | 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 | 4.2 | pKi | = | 4.2 | Functional | ChEMBL | 288 | 4 | 1 | 1 | 4.5 | O=C(O)/C=C/c1ccccc1Cc1ccc2ccccc2c1 | 10.1016/s0960-894x(01)00056-7 | ||
1884 | 3034 | 46 | None | -2 | 9 | Mouse | 8.1 | pEC50 | = | 8.1 | Functional | 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 | -2 | 9 | Mouse | 8.1 | pEC50 | = | 8.1 | Functional | 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 | -2 | 9 | Mouse | 8.1 | pEC50 | = | 8.1 | Functional | 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 | -2 | 9 | Mouse | 8.1 | pEC50 | = | 8.1 | Functional | 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 | -2 | 9 | Mouse | 8.1 | pEC50 | = | 8.1 | Functional | 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 | ||
7452 | 3679 | 0 | None | - | 1 | Human | 9.3 | pEC50 | = | 9.3 | Functional | Guide to Pharmacology | 410 | 11 | 3 | 4 | 3.8 | OC(=O)CCC/C=C\C[C@H]1[C@@H](O)C[C@H]([C@@H]1/C=C/C(COc1ccccc1)(F)F)O | 15037111 | ||
9978917 | 3679 | 0 | None | - | 1 | Human | 9.3 | pEC50 | = | 9.3 | Functional | Guide to Pharmacology | 410 | 11 | 3 | 4 | 3.8 | OC(=O)CCC/C=C\C[C@H]1[C@@H](O)C[C@H]([C@@H]1/C=C/C(COc1ccccc1)(F)F)O | 15037111 | ||
3386 | 320 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | Guide to Pharmacology | 410 | 11 | 3 | 5 | 3.2 | OC(=O)CC/C=C\CC[C@@H]1[C@@H](/C=C/[C@H](COc2cccc(c2)Cl)O)OC[C@@H]1O | 17076623 | ||
59107184 | 320 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | Guide to Pharmacology | 410 | 11 | 3 | 5 | 3.2 | OC(=O)CC/C=C\CC[C@@H]1[C@@H](/C=C/[C@H](COc2cccc(c2)Cl)O)OC[C@@H]1O | 17076623 | ||
1956 | 322 | 0 | None | -1 | 2 | Mouse | 6.7 | pEC50 | None | 6.7 | Functional | Guide to Pharmacology | 402 | 9 | 3 | 3 | 3.9 | OC(=O)CCC/C=C\C[C@H]1[C@@H](O)C[C@@H]([C@@H]1/C=C/[C@@H](C1Cc2c(C1)cccc2)O)F | 10454504 | ||
1956 | 322 | 0 | None | 1 | 2 | Rat | 6.7 | pEC50 | None | 6.7 | Functional | Guide to Pharmacology | 402 | 9 | 3 | 3 | 3.9 | OC(=O)CCC/C=C\C[C@H]1[C@@H](O)C[C@@H]([C@@H]1/C=C/[C@@H](C1Cc2c(C1)cccc2)O)F | 10454504 | ||
5311238 | 322 | 0 | None | -1 | 2 | Mouse | 6.7 | pEC50 | None | 6.7 | Functional | Guide to Pharmacology | 402 | 9 | 3 | 3 | 3.9 | OC(=O)CCC/C=C\C[C@H]1[C@@H](O)C[C@@H]([C@@H]1/C=C/[C@@H](C1Cc2c(C1)cccc2)O)F | 10454504 | ||
5311238 | 322 | 0 | None | 1 | 2 | Rat | 6.7 | pEC50 | None | 6.7 | Functional | Guide to Pharmacology | 402 | 9 | 3 | 3 | 3.9 | OC(=O)CCC/C=C\C[C@H]1[C@@H](O)C[C@@H]([C@@H]1/C=C/[C@@H](C1Cc2c(C1)cccc2)O)F | 10454504 | ||
CHEMBL1332680 | 322 | 0 | None | -1 | 2 | Mouse | 6.7 | pEC50 | None | 6.7 | Functional | Guide to Pharmacology | 402 | 9 | 3 | 3 | 3.9 | OC(=O)CCC/C=C\C[C@H]1[C@@H](O)C[C@@H]([C@@H]1/C=C/[C@@H](C1Cc2c(C1)cccc2)O)F | 10454504 | ||
CHEMBL1332680 | 322 | 0 | None | 1 | 2 | Rat | 6.7 | pEC50 | None | 6.7 | Functional | Guide to Pharmacology | 402 | 9 | 3 | 3 | 3.9 | OC(=O)CCC/C=C\C[C@H]1[C@@H](O)C[C@@H]([C@@H]1/C=C/[C@@H](C1Cc2c(C1)cccc2)O)F | 10454504 | ||
1958 | 651 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | Guide to Pharmacology | 415 | 12 | 4 | 4 | 3.1 | CCNC(=O)CCC/C=C\C[C@H]1[C@@H](O)C[C@H]([C@@H]1/C=C/[C@H](CCc1ccccc1)O)O | 12606640 | ||
371 | 651 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | Guide to Pharmacology | 415 | 12 | 4 | 4 | 3.1 | CCNC(=O)CCC/C=C\C[C@H]1[C@@H](O)C[C@H]([C@@H]1/C=C/[C@H](CCc1ccccc1)O)O | 12606640 | ||
5311027 | 651 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | Guide to Pharmacology | 415 | 12 | 4 | 4 | 3.1 | CCNC(=O)CCC/C=C\C[C@H]1[C@@H](O)C[C@H]([C@@H]1/C=C/[C@H](CCc1ccccc1)O)O | 12606640 | ||
CHEMBL1200963 | 651 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | Guide to Pharmacology | 415 | 12 | 4 | 4 | 3.1 | CCNC(=O)CCC/C=C\C[C@H]1[C@@H](O)C[C@H]([C@@H]1/C=C/[C@H](CCc1ccccc1)O)O | 12606640 | ||
DB00905 | 651 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | Guide to Pharmacology | 415 | 12 | 4 | 4 | 3.1 | CCNC(=O)CCC/C=C\C[C@H]1[C@@H](O)C[C@H]([C@@H]1/C=C/[C@H](CCc1ccccc1)O)O | 12606640 | ||
50902259 | 2894 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | Guide to Pharmacology | 482 | 10 | 2 | 6 | 4.2 | CC(OC(=O)CCC[C@H]1CC[C@H]2[C@@H](OC1)C[C@H]([C@@H]2/C=C/[C@H](COc1cc(F)ccc1F)O)O)C | 25788650 | ||
9875 | 2894 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | Guide to Pharmacology | 482 | 10 | 2 | 6 | 4.2 | CC(OC(=O)CCC[C@H]1CC[C@H]2[C@@H](OC1)C[C@H]([C@@H]2/C=C/[C@H](COc1cc(F)ccc1F)O)O)C | 25788650 | ||
CHEMBL4297633 | 2894 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | Guide to Pharmacology | 482 | 10 | 2 | 6 | 4.2 | CC(OC(=O)CCC[C@H]1CC[C@H]2[C@@H](OC1)C[C@H]([C@@H]2/C=C/[C@H](COc1cc(F)ccc1F)O)O)C | 25788650 | ||
DB12043 | 2894 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | Guide to Pharmacology | 482 | 10 | 2 | 6 | 4.2 | CC(OC(=O)CCC[C@H]1CC[C@H]2[C@@H](OC1)C[C@H]([C@@H]2/C=C/[C@H](COc1cc(F)ccc1F)O)O)C | 25788650 | ||
1959 | 652 | 34 | None | 1737 | 2 | Human | 8.7 | pIC50 | = | 8.7 | Functional | Guide to Pharmacology | 388 | 11 | 4 | 4 | 3.1 | OC(=O)CCC/C=C\C[C@H]1[C@@H](O)C[C@H]([C@@H]1/C=C/[C@H](CCc1ccccc1)O)O | 10952685 | ||
5283081 | 652 | 34 | None | 1737 | 2 | Human | 8.7 | pIC50 | = | 8.7 | Functional | Guide to Pharmacology | 388 | 11 | 4 | 4 | 3.1 | OC(=O)CCC/C=C\C[C@H]1[C@@H](O)C[C@H]([C@@H]1/C=C/[C@H](CCc1ccccc1)O)O | 10952685 | ||
CHEMBL3914661 | 652 | 34 | None | 1737 | 2 | Human | 8.7 | pIC50 | = | 8.7 | Functional | Guide to Pharmacology | 388 | 11 | 4 | 4 | 3.1 | OC(=O)CCC/C=C\C[C@H]1[C@@H](O)C[C@H]([C@@H]1/C=C/[C@H](CCc1ccccc1)O)O | 10952685 | ||
1955 | 16 | 1 | None | 1258 | 5 | Human | 8.8 | pIC50 | None | 8.8 | Functional | Guide to Pharmacology | 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 | 10715159 | ||
5311240 | 16 | 1 | None | 1258 | 5 | Human | 8.8 | pIC50 | None | 8.8 | Functional | Guide to Pharmacology | 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 | 10715159 | ||
CHEMBL36041 | 16 | 1 | None | 1258 | 5 | Human | 8.8 | pIC50 | None | 8.8 | Functional | Guide to Pharmacology | 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 | 10715159 |
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 |
1955 | 16 | 1 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | 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 | 10.1016/s0960-894x(00)00273-0 | ||
5311240 | 16 | 1 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | 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 | 10.1016/s0960-894x(00)00273-0 | ||
CHEMBL36041 | 16 | 1 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | 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 | 10.1016/s0960-894x(00)00273-0 | ||
1894 | 943 | 35 | None | 1 | 5 | Human | 9.0 | pIC50 | = | 9 | 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 | 10.1016/s0960-894x(00)00273-0 | ||
5311053 | 943 | 35 | None | 1 | 5 | Human | 9.0 | pIC50 | = | 9 | 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 | 10.1016/s0960-894x(00)00273-0 | ||
CHEMBL37853 | 943 | 35 | None | 1 | 5 | Human | 9.0 | pIC50 | = | 9 | 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 | 10.1016/s0960-894x(00)00273-0 | ||
DB11507 | 943 | 35 | None | 1 | 5 | Human | 9.0 | pIC50 | = | 9 | 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 | 10.1016/s0960-894x(00)00273-0 | ||
9825293 | 99593 | 8 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 456 | 11 | 4 | 4 | 4.1 | O=C(O)CCC/C=C\C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1/C=C/[C@@H](O)CCc1cccc(C(F)(F)F)c1 | 10.1016/s0960-894x(00)00273-0 | ||
CHEMBL287080 | 99593 | 8 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 456 | 11 | 4 | 4 | 4.1 | O=C(O)CCC/C=C\C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1/C=C/[C@@H](O)CCc1cccc(C(F)(F)F)c1 | 10.1016/s0960-894x(00)00273-0 | ||
44354547 | 116079 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 390 | 12 | 5 | 4 | 2.7 | CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCP(=O)(O)O | 10.1021/jm010264b | ||
CHEMBL336543 | 116079 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 390 | 12 | 5 | 4 | 2.7 | CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCP(=O)(O)O | 10.1021/jm010264b | ||
44571206 | 183407 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 574 | 6 | 1 | 5 | 6.4 | CC12CCCC(/C=C/C(=O)NS(=O)(=O)c3cc(Cl)c(Cl)s3)=C1N(Cc1ccc3ccccc3c1)C(=O)C2 | 10.1016/j.bmcl.2008.12.027 | ||
CHEMBL481813 | 183407 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 574 | 6 | 1 | 5 | 6.4 | CC12CCCC(/C=C/C(=O)NS(=O)(=O)c3cc(Cl)c(Cl)s3)=C1N(Cc1ccc3ccccc3c1)C(=O)C2 | 10.1016/j.bmcl.2008.12.027 | ||
10047541 | 131989 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | 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 | 8.0 | pIC50 | = | 8.0 | 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 | ||
11283 | 579 | 6 | None | - | 1 | Rat | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 543 | 8 | 2 | 4 | 5.9 | OC(=O)CC[C@H](c1ccccc1Cl)CNC(=O)c1c(C)c(nc2c1cc(Br)cc2)N1CCCC1 | 10.1021/acs.jmedchem.0c00834 | ||
146368333 | 579 | 6 | None | - | 1 | Rat | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 543 | 8 | 2 | 4 | 5.9 | OC(=O)CC[C@H](c1ccccc1Cl)CNC(=O)c1c(C)c(nc2c1cc(Br)cc2)N1CCCC1 | 10.1021/acs.jmedchem.0c00834 | ||
CHEMBL4643852 | 579 | 6 | None | - | 1 | Rat | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 543 | 8 | 2 | 4 | 5.9 | OC(=O)CC[C@H](c1ccccc1Cl)CNC(=O)c1c(C)c(nc2c1cc(Br)cc2)N1CCCC1 | 10.1021/acs.jmedchem.0c00834 | ||
44322535 | 204896 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 447 | 12 | 5 | 7 | 3.2 | [N-]=[N+]=Nc1cc(O)cc(OC[C@H](O)/C=C/[C@H]2[C@H](O)C[C@H](O)[C@@H]2C/C=C\CCCC(=O)O)c1 | 10.1021/jm00121a046 | ||
CHEMBL89096 | 204896 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 447 | 12 | 5 | 7 | 3.2 | [N-]=[N+]=Nc1cc(O)cc(OC[C@H](O)/C=C/[C@H]2[C@H](O)C[C@H](O)[C@@H]2C/C=C\CCCC(=O)O)c1 | 10.1021/jm00121a046 | ||
102305175 | 24686 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 374 | 12 | 4 | 4 | 3.0 | CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCC[PH](=O)O | 10.1021/jm010264b | ||
CHEMBL134546 | 24686 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 374 | 12 | 4 | 4 | 3.0 | CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCC[PH](=O)O | 10.1021/jm010264b | ||
15486805 | 165500 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 394 | 13 | 4 | 5 | 3.0 | O=C(O)CCCCCC[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1CC[C@@H](O)COc1ccccc1 | 10.1021/jm990542v | ||
CHEMBL425681 | 165500 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 394 | 13 | 4 | 5 | 3.0 | O=C(O)CCCCCC[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1CC[C@@H](O)COc1ccccc1 | 10.1021/jm990542v | ||
11283 | 579 | 6 | None | - | 1 | Mouse | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 543 | 8 | 2 | 4 | 5.9 | OC(=O)CC[C@H](c1ccccc1Cl)CNC(=O)c1c(C)c(nc2c1cc(Br)cc2)N1CCCC1 | 10.1021/acs.jmedchem.0c00834 | ||
146368333 | 579 | 6 | None | - | 1 | Mouse | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 543 | 8 | 2 | 4 | 5.9 | OC(=O)CC[C@H](c1ccccc1Cl)CNC(=O)c1c(C)c(nc2c1cc(Br)cc2)N1CCCC1 | 10.1021/acs.jmedchem.0c00834 | ||
CHEMBL4643852 | 579 | 6 | None | - | 1 | Mouse | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 543 | 8 | 2 | 4 | 5.9 | OC(=O)CC[C@H](c1ccccc1Cl)CNC(=O)c1c(C)c(nc2c1cc(Br)cc2)N1CCCC1 | 10.1021/acs.jmedchem.0c00834 | ||
1884 | 3034 | 46 | None | -14 | 22 | Bovine | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 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 | 10.1021/jm00121a046 | ||
5280363 | 3034 | 46 | None | -14 | 22 | Bovine | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 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 | 10.1021/jm00121a046 | ||
912 | 3034 | 46 | None | -14 | 22 | Bovine | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 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 | 10.1021/jm00121a046 | ||
CHEMBL815 | 3034 | 46 | None | -14 | 22 | Bovine | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 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 | 10.1021/jm00121a046 | ||
DB12789 | 3034 | 46 | None | -14 | 22 | Bovine | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 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 | 10.1021/jm00121a046 | ||
162671048 | 182225 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | 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 | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 451 | 5 | 1 | 4 | 5.4 | Cc1c(-c2cccs2)nc2ccc(Br)cc2c1C(=O)NCCc1cccnc1 | 10.1021/acs.jmedchem.0c00834 | ||
10740699 | 59758 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 417 | 13 | 4 | 7 | 3.2 | O=C(O)CCCCCC[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1CCC(O)CSc1nccs1 | 10.1021/jm990542v | ||
CHEMBL173811 | 59758 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 417 | 13 | 4 | 7 | 3.2 | O=C(O)CCCCCC[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1CCC(O)CSc1nccs1 | 10.1021/jm990542v | ||
6441607 | 154540 | 21 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 382 | 12 | 4 | 4 | 3.7 | CCCCC(C)(C)[C@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)O | 10.1016/s0960-894x(00)00273-0 | ||
CHEMBL40183 | 154540 | 21 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 382 | 12 | 4 | 4 | 3.7 | CCCCC(C)(C)[C@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)O | 10.1016/s0960-894x(00)00273-0 | ||
44285252 | 120580 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 422 | 14 | 4 | 5 | 3.6 | COc1cccc(CC[C@H](O)CC[C@H]2[C@H](O)C[C@H](O)[C@@H]2CCCCCCC(=O)O)c1 | 10.1016/s0960-894x(00)00273-0 | ||
CHEMBL35715 | 120580 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 422 | 14 | 4 | 5 | 3.6 | COc1cccc(CC[C@H](O)CC[C@H]2[C@H](O)C[C@H](O)[C@@H]2CCCCCCC(=O)O)c1 | 10.1016/s0960-894x(00)00273-0 | ||
44570666 | 182688 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | 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 | 4.8 | pIC50 | = | 4.8 | 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 | ||
10670992 | 59741 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | 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 | 7.8 | pIC50 | = | 7.8 | 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 | ||
11283 | 579 | 6 | None | - | 1 | Mouse | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 543 | 8 | 2 | 4 | 5.9 | OC(=O)CC[C@H](c1ccccc1Cl)CNC(=O)c1c(C)c(nc2c1cc(Br)cc2)N1CCCC1 | 10.1021/acs.jmedchem.0c00834 | ||
146368333 | 579 | 6 | None | - | 1 | Mouse | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 543 | 8 | 2 | 4 | 5.9 | OC(=O)CC[C@H](c1ccccc1Cl)CNC(=O)c1c(C)c(nc2c1cc(Br)cc2)N1CCCC1 | 10.1021/acs.jmedchem.0c00834 | ||
CHEMBL4643852 | 579 | 6 | None | - | 1 | Mouse | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 543 | 8 | 2 | 4 | 5.9 | OC(=O)CC[C@H](c1ccccc1Cl)CNC(=O)c1c(C)c(nc2c1cc(Br)cc2)N1CCCC1 | 10.1021/acs.jmedchem.0c00834 | ||
44565193 | 176286 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 520 | 6 | 1 | 5 | 5.6 | Cn1cc(/C=C/C(=O)NS(=O)(=O)c2ccc(F)c(F)c2)c2c(Oc3ccc(F)c(Cl)c3)cccc21 | 10.1016/j.bmcl.2008.12.112 | ||
CHEMBL461390 | 176286 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 520 | 6 | 1 | 5 | 5.6 | Cn1cc(/C=C/C(=O)NS(=O)(=O)c2ccc(F)c(F)c2)c2c(Oc3ccc(F)c(Cl)c3)cccc21 | 10.1016/j.bmcl.2008.12.112 | ||
44564804 | 176126 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | 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 | 5.7 | pIC50 | = | 5.7 | 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 | ||
1894 | 943 | 35 | None | 1 | 5 | Human | 8.7 | pIC50 | = | 8.7 | 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 | 1 | 5 | Human | 8.7 | pIC50 | = | 8.7 | 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 | 1 | 5 | Human | 8.7 | pIC50 | = | 8.7 | 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 | 1 | 5 | Human | 8.7 | pIC50 | = | 8.7 | 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 | ||
5311234 | 114641 | 19 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 390 | 11 | 4 | 5 | 2.5 | O=C(O)CCC/C=C\C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1/C=C/[C@@H](O)COc1ccccc1 | 10.1021/jm010264b | ||
CHEMBL334398 | 114641 | 19 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 390 | 11 | 4 | 5 | 2.5 | O=C(O)CCC/C=C\C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1/C=C/[C@@H](O)COc1ccccc1 | 10.1021/jm010264b | ||
1884 | 3034 | 46 | None | -4 | 22 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 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 | 10.1016/s0960-894x(00)00273-0 | ||
5280363 | 3034 | 46 | None | -4 | 22 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 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 | 10.1016/s0960-894x(00)00273-0 | ||
912 | 3034 | 46 | None | -4 | 22 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 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 | 10.1016/s0960-894x(00)00273-0 | ||
CHEMBL815 | 3034 | 46 | None | -4 | 22 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 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 | 10.1016/s0960-894x(00)00273-0 | ||
DB12789 | 3034 | 46 | None | -4 | 22 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 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 | 10.1016/s0960-894x(00)00273-0 | ||
1955 | 16 | 1 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | 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 | 8.6 | pIC50 | = | 8.6 | 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 | 8.6 | pIC50 | = | 8.6 | 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 | ||
44322596 | 164348 | 0 | None | - | 0 | Bovine | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 430 | 13 | 3 | 5 | 4.0 | COC(=O)CCC/C=C\C[C@@H]1C(/C=C/[C@@H](O)CCCCc2ccccc2)[C@H](O)C[C@@H]1O | 10.1021/jm00121a046 | ||
CHEMBL422242 | 164348 | 0 | None | - | 0 | Bovine | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 430 | 13 | 3 | 5 | 4.0 | COC(=O)CCC/C=C\C[C@@H]1C(/C=C/[C@@H](O)CCCCc2ccccc2)[C@H](O)C[C@@H]1O | 10.1021/jm00121a046 | ||
44285208 | 99450 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 417 | 13 | 4 | 5 | 3.4 | N#Cc1cccc(CC[C@H](O)CC[C@H]2[C@H](O)C[C@H](O)[C@@H]2CCCCCCC(=O)O)c1 | 10.1016/s0960-894x(00)00273-0 | ||
CHEMBL286132 | 99450 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 417 | 13 | 4 | 5 | 3.4 | N#Cc1cccc(CC[C@H](O)CC[C@H]2[C@H](O)C[C@H](O)[C@@H]2CCCCCCC(=O)O)c1 | 10.1016/s0960-894x(00)00273-0 | ||
44285328 | 130929 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 410 | 13 | 4 | 4 | 3.7 | O=C(O)CCCCCC[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1CC[C@@H](O)CCc1ccc(F)cc1 | 10.1016/s0960-894x(00)00273-0 | ||
CHEMBL36911 | 130929 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 410 | 13 | 4 | 4 | 3.7 | O=C(O)CCCCCC[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1CC[C@@H](O)CCc1ccc(F)cc1 | 10.1016/s0960-894x(00)00273-0 | ||
44285199 | 99736 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 460 | 13 | 4 | 4 | 4.6 | O=C(O)CCCCCC[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1CC[C@@H](O)CCc1ccccc1C(F)(F)F | 10.1016/s0960-894x(00)00273-0 | ||
CHEMBL288277 | 99736 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 460 | 13 | 4 | 4 | 4.6 | O=C(O)CCCCCC[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1CC[C@@H](O)CCc1ccccc1C(F)(F)F | 10.1016/s0960-894x(00)00273-0 | ||
11283 | 579 | 6 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 543 | 8 | 2 | 4 | 5.9 | OC(=O)CC[C@H](c1ccccc1Cl)CNC(=O)c1c(C)c(nc2c1cc(Br)cc2)N1CCCC1 | 10.1021/acs.jmedchem.0c00834 | ||
146368333 | 579 | 6 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 543 | 8 | 2 | 4 | 5.9 | OC(=O)CC[C@H](c1ccccc1Cl)CNC(=O)c1c(C)c(nc2c1cc(Br)cc2)N1CCCC1 | 10.1021/acs.jmedchem.0c00834 | ||
CHEMBL4643852 | 579 | 6 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 543 | 8 | 2 | 4 | 5.9 | OC(=O)CC[C@H](c1ccccc1Cl)CNC(=O)c1c(C)c(nc2c1cc(Br)cc2)N1CCCC1 | 10.1021/acs.jmedchem.0c00834 | ||
44564990 | 192049 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | 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 | 5.7 | pIC50 | = | 5.7 | 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 | ||
44322613 | 204765 | 0 | None | - | 0 | Bovine | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 416 | 13 | 4 | 4 | 3.9 | O=C(O)CCC/C=C\C[C@@H]1C(/C=C/[C@@H](O)CCCCc2ccccc2)[C@H](O)C[C@@H]1O | 10.1021/jm00121a046 | ||
CHEMBL88275 | 204765 | 0 | None | - | 0 | Bovine | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 416 | 13 | 4 | 4 | 3.9 | O=C(O)CCC/C=C\C[C@@H]1C(/C=C/[C@@H](O)CCCCc2ccccc2)[C@H](O)C[C@@H]1O | 10.1021/jm00121a046 | ||
44564571 | 186233 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | 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 | 5.6 | pIC50 | = | 5.6 | 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 | ||
44190762 | 176306 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 531 | 8 | 1 | 5 | 6.6 | Cc1c(C(=O)c2ccc(Cl)cc2)c2ccc(OC(F)(F)F)cc2n1Cc1cccc(O[C@H](C)C(=O)O)c1 | 10.1016/j.bmcl.2008.07.103 | ||
CHEMBL461571 | 176306 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 531 | 8 | 1 | 5 | 6.6 | Cc1c(C(=O)c2ccc(Cl)cc2)c2ccc(OC(F)(F)F)cc2n1Cc1cccc(O[C@H](C)C(=O)O)c1 | 10.1016/j.bmcl.2008.07.103 | ||
44571290 | 182660 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 542 | 6 | 1 | 5 | 5.4 | CC12CCCC(/C=C/C(=O)NS(=O)(=O)c3cc(Cl)c(Cl)s3)=C1N(Cc1ccc(F)cc1)C(=O)C2 | 10.1016/j.bmcl.2008.12.027 | ||
CHEMBL479633 | 182660 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 542 | 6 | 1 | 5 | 5.4 | CC12CCCC(/C=C/C(=O)NS(=O)(=O)c3cc(Cl)c(Cl)s3)=C1N(Cc1ccc(F)cc1)C(=O)C2 | 10.1016/j.bmcl.2008.12.027 | ||
10741197 | 59696 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 428 | 13 | 4 | 5 | 3.8 | O=C(O)CCCCCC[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1CCC(O)CSc1cccc(F)c1 | 10.1021/jm990542v | ||
CHEMBL173499 | 59696 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 428 | 13 | 4 | 5 | 3.8 | O=C(O)CCCCCC[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1CCC(O)CSc1cccc(F)c1 | 10.1021/jm990542v | ||
44285251 | 161979 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 422 | 14 | 4 | 5 | 3.6 | COc1ccc(CC[C@H](O)CC[C@H]2[C@H](O)C[C@H](O)[C@@H]2CCCCCCC(=O)O)cc1 | 10.1016/s0960-894x(00)00273-0 | ||
CHEMBL416784 | 161979 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 422 | 14 | 4 | 5 | 3.6 | COc1ccc(CC[C@H](O)CC[C@H]2[C@H](O)C[C@H](O)[C@@H]2CCCCCCC(=O)O)cc1 | 10.1016/s0960-894x(00)00273-0 | ||
10251023 | 59646 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 410 | 13 | 4 | 5 | 3.7 | O=C(O)CCCCCC[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1CCC(O)CSc1ccccc1 | 10.1021/jm990542v | ||
CHEMBL173299 | 59646 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 410 | 13 | 4 | 5 | 3.7 | O=C(O)CCCCCC[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1CCC(O)CSc1ccccc1 | 10.1021/jm990542v | ||
1884 | 3034 | 46 | None | -4 | 22 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 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 | 10.1021/jm010264b | ||
5280363 | 3034 | 46 | None | -4 | 22 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 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 | 10.1021/jm010264b | ||
912 | 3034 | 46 | None | -4 | 22 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 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 | 10.1021/jm010264b | ||
CHEMBL815 | 3034 | 46 | None | -4 | 22 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 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 | 10.1021/jm010264b | ||
DB12789 | 3034 | 46 | None | -4 | 22 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 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 | 10.1021/jm010264b | ||
10981979 | 116115 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 388 | 12 | 4 | 4 | 3.5 | CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCP(C)(=O)O | 10.1021/jm010264b | ||
CHEMBL336781 | 116115 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 388 | 12 | 4 | 4 | 3.5 | CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCP(C)(=O)O | 10.1021/jm010264b | ||
44564937 | 178656 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 538 | 6 | 1 | 5 | 5.7 | Cn1cc(/C=C/C(=O)NS(=O)(=O)c2cc(F)c(F)cc2F)c2c(Oc3ccc(F)c(Cl)c3)cccc21 | 10.1016/j.bmcl.2008.12.112 | ||
CHEMBL472754 | 178656 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 538 | 6 | 1 | 5 | 5.7 | Cn1cc(/C=C/C(=O)NS(=O)(=O)c2cc(F)c(F)cc2F)c2c(Oc3ccc(F)c(Cl)c3)cccc21 | 10.1016/j.bmcl.2008.12.112 | ||
44564841 | 179783 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 520 | 6 | 1 | 5 | 5.6 | Cn1cc(/C=C/C(=O)NS(=O)(=O)c2ccc(F)c(F)c2)c2c(Oc3ccc(Cl)cc3F)cccc21 | 10.1016/j.bmcl.2008.12.112 | ||
CHEMBL475152 | 179783 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 520 | 6 | 1 | 5 | 5.6 | Cn1cc(/C=C/C(=O)NS(=O)(=O)c2ccc(F)c(F)c2)c2c(Oc3ccc(Cl)cc3F)cccc21 | 10.1016/j.bmcl.2008.12.112 | ||
44322613 | 204765 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 416 | 13 | 4 | 4 | 3.9 | O=C(O)CCC/C=C\C[C@@H]1C(/C=C/[C@@H](O)CCCCc2ccccc2)[C@H](O)C[C@@H]1O | 10.1021/jm00121a046 | ||
CHEMBL88275 | 204765 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 416 | 13 | 4 | 4 | 3.9 | O=C(O)CCC/C=C\C[C@@H]1C(/C=C/[C@@H](O)CCCCc2ccccc2)[C@H](O)C[C@@H]1O | 10.1021/jm00121a046 | ||
10648334 | 59373 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 478 | 13 | 4 | 5 | 4.7 | O=C(O)CCCCCC[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1CCC(O)CSc1cccc(C(F)(F)F)c1 | 10.1021/jm990542v | ||
CHEMBL172250 | 59373 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 478 | 13 | 4 | 5 | 4.7 | O=C(O)CCCCCC[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1CCC(O)CSc1cccc(C(F)(F)F)c1 | 10.1021/jm990542v | ||
44322611 | 204872 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 429 | 12 | 4 | 5 | 4.0 | [N-]=[N+]=Nc1ccc(CC[C@H](O)/C=C/[C@H]2[C@H](O)C[C@H](O)[C@@H]2C/C=C\CCCC(=O)O)cc1 | 10.1021/jm00121a046 | ||
CHEMBL88974 | 204872 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 429 | 12 | 4 | 5 | 4.0 | [N-]=[N+]=Nc1ccc(CC[C@H](O)/C=C/[C@H]2[C@H](O)C[C@H](O)[C@@H]2C/C=C\CCCC(=O)O)cc1 | 10.1021/jm00121a046 | ||
5311239 | 130096 | 22 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | 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 | 6.5 | pIC50 | = | 6.5 | 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 | ||
44322291 | 205095 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 555 | 12 | 4 | 5 | 4.6 | [N-]=[N+]=Nc1ccc(CC[C@H](O)/C=C/[C@H]2[C@H](O)C[C@H](O)[C@@H]2C/C=C\CCCC(=O)O)cc1I | 10.1021/jm00121a046 | ||
CHEMBL90450 | 205095 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 555 | 12 | 4 | 5 | 4.6 | [N-]=[N+]=Nc1ccc(CC[C@H](O)/C=C/[C@H]2[C@H](O)C[C@H](O)[C@@H]2C/C=C\CCCC(=O)O)cc1I | 10.1021/jm00121a046 | ||
44564893 | 179941 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | 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 | 5.5 | pIC50 | = | 5.5 | 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 | ||
44157014 | 192017 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | 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 | 5.5 | pIC50 | = | 5.5 | 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 | ||
44285161 | 99895 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 460 | 13 | 4 | 4 | 4.6 | O=C(O)CCCCCC[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1CC[C@@H](O)CCc1ccc(C(F)(F)F)cc1 | 10.1016/s0960-894x(00)00273-0 | ||
CHEMBL289660 | 99895 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 460 | 13 | 4 | 4 | 4.6 | O=C(O)CCCCCC[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1CC[C@@H](O)CCc1ccc(C(F)(F)F)cc1 | 10.1016/s0960-894x(00)00273-0 | ||
25195248 | 182353 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | 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 | 5.4 | pIC50 | = | 5.4 | 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 | ||
11133176 | 23985 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 402 | 13 | 4 | 4 | 3.9 | CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCP(=O)(O)CC | 10.1021/jm010264b | ||
CHEMBL133945 | 23985 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 402 | 13 | 4 | 4 | 3.9 | CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCP(=O)(O)CC | 10.1021/jm010264b | ||
1283333 | 91104 | 7 | None | - | 2 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 456 | 8 | 1 | 3 | 4.7 | CCc1ccccc1N(CC(=O)NCc1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1 | 10.1016/j.bmcl.2006.12.060 | ||
CHEMBL240436 | 91104 | 7 | None | - | 2 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 456 | 8 | 1 | 3 | 4.7 | CCc1ccccc1N(CC(=O)NCc1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1 | 10.1016/j.bmcl.2006.12.060 | ||
10001608 | 99885 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 410 | 13 | 4 | 4 | 3.7 | O=C(O)CCCCCC[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1CC[C@@H](O)CCc1cccc(F)c1 | 10.1016/s0960-894x(00)00273-0 | ||
CHEMBL289568 | 99885 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 410 | 13 | 4 | 4 | 3.7 | O=C(O)CCCCCC[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1CC[C@@H](O)CCc1cccc(F)c1 | 10.1016/s0960-894x(00)00273-0 | ||
9888589 | 168555 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 424 | 11 | 4 | 5 | 3.0 | CP(=O)(O)CCC/C=C\C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1/C=C/[C@@H](O)COc1ccccc1 | 10.1021/jm010264b | ||
CHEMBL440164 | 168555 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 424 | 11 | 4 | 5 | 3.0 | CP(=O)(O)CCC/C=C\C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1/C=C/[C@@H](O)COc1ccccc1 | 10.1021/jm010264b | ||
44571352 | 183452 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 504 | 6 | 1 | 4 | 4.3 | CC12CCCC(/C=C/C(=O)NS(=O)(=O)c3cc(F)cc(F)c3)=C1N(Cc1ccc(F)cc1)C(=O)C2 | 10.1016/j.bmcl.2008.12.027 | ||
CHEMBL482158 | 183452 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 504 | 6 | 1 | 4 | 4.3 | CC12CCCC(/C=C/C(=O)NS(=O)(=O)c3cc(F)cc(F)c3)=C1N(Cc1ccc(F)cc1)C(=O)C2 | 10.1016/j.bmcl.2008.12.027 | ||
1884 | 3034 | 46 | None | -4 | 22 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 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 | 10.1021/jm00121a046 | ||
5280363 | 3034 | 46 | None | -4 | 22 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 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 | 10.1021/jm00121a046 | ||
912 | 3034 | 46 | None | -4 | 22 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 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 | 10.1021/jm00121a046 | ||
CHEMBL815 | 3034 | 46 | None | -4 | 22 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 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 | 10.1021/jm00121a046 | ||
DB12789 | 3034 | 46 | None | -4 | 22 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 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 | 10.1021/jm00121a046 | ||
44285145 | 99980 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 406 | 13 | 4 | 4 | 3.9 | Cc1ccc(CC[C@H](O)CC[C@H]2[C@H](O)C[C@H](O)[C@@H]2CCCCCCC(=O)O)cc1 | 10.1016/s0960-894x(00)00273-0 | ||
CHEMBL290571 | 99980 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 406 | 13 | 4 | 4 | 3.9 | Cc1ccc(CC[C@H](O)CC[C@H]2[C@H](O)C[C@H](O)[C@@H]2CCCCCCC(=O)O)cc1 | 10.1016/s0960-894x(00)00273-0 | ||
44564892 | 179940 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | 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 | 5.3 | pIC50 | = | 5.3 | 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 | ||
71458087 | 79153 | 0 | None | - | 0 | Bovine | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 430 | 13 | 3 | 5 | 4.0 | COC(=O)CCC/C=C\C[C@@H]1C(/C=C/[C@H](O)CCCCc2ccccc2)[C@H](O)C[C@@H]1O | 10.1021/jm00121a046 | ||
CHEMBL2114229 | 79153 | 0 | None | - | 0 | Bovine | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 430 | 13 | 3 | 5 | 4.0 | COC(=O)CCC/C=C\C[C@@H]1C(/C=C/[C@H](O)CCCCc2ccccc2)[C@H](O)C[C@@H]1O | 10.1021/jm00121a046 | ||
11283 | 579 | 6 | None | - | 1 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 543 | 8 | 2 | 4 | 5.9 | OC(=O)CC[C@H](c1ccccc1Cl)CNC(=O)c1c(C)c(nc2c1cc(Br)cc2)N1CCCC1 | 10.1021/acs.jmedchem.0c00834 | ||
146368333 | 579 | 6 | None | - | 1 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 543 | 8 | 2 | 4 | 5.9 | OC(=O)CC[C@H](c1ccccc1Cl)CNC(=O)c1c(C)c(nc2c1cc(Br)cc2)N1CCCC1 | 10.1021/acs.jmedchem.0c00834 | ||
CHEMBL4643852 | 579 | 6 | None | - | 1 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 543 | 8 | 2 | 4 | 5.9 | OC(=O)CC[C@H](c1ccccc1Cl)CNC(=O)c1c(C)c(nc2c1cc(Br)cc2)N1CCCC1 | 10.1021/acs.jmedchem.0c00834 | ||
5311239 | 130096 | 22 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | 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 | 10.1016/s0960-894x(00)00273-0 | ||
CHEMBL36817 | 130096 | 22 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | 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 | 10.1016/s0960-894x(00)00273-0 | ||
44285209 | 130871 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 420 | 14 | 4 | 4 | 4.1 | CCc1cccc(CC[C@H](O)CC[C@H]2[C@H](O)C[C@H](O)[C@@H]2CCCCCCC(=O)O)c1 | 10.1016/s0960-894x(00)00273-0 | ||
CHEMBL36901 | 130871 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 420 | 14 | 4 | 4 | 4.1 | CCc1cccc(CC[C@H](O)CC[C@H]2[C@H](O)C[C@H](O)[C@@H]2CCCCCCC(=O)O)c1 | 10.1016/s0960-894x(00)00273-0 | ||
15486806 | 100021 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | 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 | 6.2 | pIC50 | = | 6.2 | 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 | ||
44285270 | 152358 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 422 | 14 | 4 | 5 | 3.6 | COc1ccccc1CC[C@H](O)CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1CCCCCCC(=O)O | 10.1016/s0960-894x(00)00273-0 | ||
CHEMBL39746 | 152358 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 422 | 14 | 4 | 5 | 3.6 | COc1ccccc1CC[C@H](O)CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1CCCCCCC(=O)O | 10.1016/s0960-894x(00)00273-0 | ||
46879894 | 6104 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | 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 | 6.2 | pIC50 | = | 6.2 | 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 | ||
44571291 | 189563 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 554 | 7 | 1 | 6 | 5.3 | COc1cccc(CN2C(=O)CC3(C)CCCC(/C=C/C(=O)NS(=O)(=O)c4cc(Cl)c(Cl)s4)=C23)c1 | 10.1016/j.bmcl.2008.12.027 | ||
CHEMBL517377 | 189563 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 554 | 7 | 1 | 6 | 5.3 | COc1cccc(CN2C(=O)CC3(C)CCCC(/C=C/C(=O)NS(=O)(=O)c4cc(Cl)c(Cl)s4)=C23)c1 | 10.1016/j.bmcl.2008.12.027 | ||
44322588 | 106553 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 445 | 12 | 5 | 6 | 3.7 | [N-]=[N+]=Nc1ccc(CC[C@H](O)/C=C/[C@H]2[C@H](O)C[C@H](O)[C@@H]2C/C=C\CCCC(=O)O)c(O)c1 | 10.1021/jm00121a046 | ||
CHEMBL315519 | 106553 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 445 | 12 | 5 | 6 | 3.7 | [N-]=[N+]=Nc1ccc(CC[C@H](O)/C=C/[C@H]2[C@H](O)C[C@H](O)[C@@H]2C/C=C\CCCC(=O)O)c(O)c1 | 10.1021/jm00121a046 | ||
10741017 | 60959 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 424 | 13 | 4 | 5 | 4.0 | Cc1cccc(SCC(O)CC[C@H]2[C@H](O)C[C@H](O)[C@@H]2CCCCCCC(=O)O)c1 | 10.1021/jm990542v | ||
CHEMBL176692 | 60959 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 424 | 13 | 4 | 5 | 4.0 | Cc1cccc(SCC(O)CC[C@H]2[C@H](O)C[C@H](O)[C@@H]2CCCCCCC(=O)O)c1 | 10.1021/jm990542v | ||
44285146 | 134710 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 406 | 13 | 4 | 4 | 3.9 | Cc1ccccc1CC[C@H](O)CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1CCCCCCC(=O)O | 10.1016/s0960-894x(00)00273-0 | ||
CHEMBL37244 | 134710 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 406 | 13 | 4 | 4 | 3.9 | Cc1ccccc1CC[C@H](O)CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1CCCCCCC(=O)O | 10.1016/s0960-894x(00)00273-0 | ||
44571354 | 183487 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 516 | 7 | 1 | 5 | 4.2 | COc1cccc(CN2C(=O)CC3(C)CCCC(/C=C/C(=O)NS(=O)(=O)c4ccc(F)c(F)c4)=C23)c1 | 10.1016/j.bmcl.2008.12.027 | ||
CHEMBL482330 | 183487 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 516 | 7 | 1 | 5 | 4.2 | COc1cccc(CN2C(=O)CC3(C)CCCC(/C=C/C(=O)NS(=O)(=O)c4ccc(F)c(F)c4)=C23)c1 | 10.1016/j.bmcl.2008.12.027 | ||
71450954 | 79154 | 0 | None | - | 0 | Bovine | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 416 | 13 | 4 | 4 | 3.9 | O=C(O)CCC/C=C\C[C@@H]1C(/C=C/[C@H](O)CCCCc2ccccc2)[C@H](O)C[C@@H]1O | 10.1021/jm00121a046 | ||
CHEMBL2114230 | 79154 | 0 | None | - | 0 | Bovine | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 416 | 13 | 4 | 4 | 3.9 | O=C(O)CCC/C=C\C[C@@H]1C(/C=C/[C@H](O)CCCCc2ccccc2)[C@H](O)C[C@@H]1O | 10.1021/jm00121a046 | ||
11133782 | 23949 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 430 | 15 | 4 | 4 | 4.6 | CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCP(=O)(O)CCCC | 10.1021/jm010264b | ||
CHEMBL133910 | 23949 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 430 | 15 | 4 | 4 | 4.6 | CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCP(=O)(O)CCCC | 10.1021/jm010264b | ||
71449156 | 79151 | 0 | None | - | 0 | Bovine | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | 555 | 12 | 4 | 5 | 4.6 | [N-]=[N+]=Nc1ccc(CC[C@@H](O)/C=C/[C@H]2[C@H](O)C[C@H](O)[C@@H]2C/C=C\CCCC(=O)O)cc1I | 10.1021/jm00121a046 | ||
CHEMBL2114224 | 79151 | 0 | None | - | 0 | Bovine | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | 555 | 12 | 4 | 5 | 4.6 | [N-]=[N+]=Nc1ccc(CC[C@@H](O)/C=C/[C@H]2[C@H](O)C[C@H](O)[C@@H]2C/C=C\CCCC(=O)O)cc1I | 10.1021/jm00121a046 | ||
1884 | 3034 | 46 | None | -4 | 22 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 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 | 10.1021/jm990542v | ||
5280363 | 3034 | 46 | None | -4 | 22 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 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 | 10.1021/jm990542v | ||
912 | 3034 | 46 | None | -4 | 22 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 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 | 10.1021/jm990542v | ||
CHEMBL815 | 3034 | 46 | None | -4 | 22 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 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 | 10.1021/jm990542v | ||
DB12789 | 3034 | 46 | None | -4 | 22 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 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 | 10.1021/jm990542v | ||
44322611 | 204872 | 0 | None | - | 0 | Bovine | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 429 | 12 | 4 | 5 | 4.0 | [N-]=[N+]=Nc1ccc(CC[C@H](O)/C=C/[C@H]2[C@H](O)C[C@H](O)[C@@H]2C/C=C\CCCC(=O)O)cc1 | 10.1021/jm00121a046 | ||
CHEMBL88974 | 204872 | 0 | None | - | 0 | Bovine | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 429 | 12 | 4 | 5 | 4.0 | [N-]=[N+]=Nc1ccc(CC[C@H](O)/C=C/[C@H]2[C@H](O)C[C@H](O)[C@@H]2C/C=C\CCCC(=O)O)cc1 | 10.1021/jm00121a046 | ||
44322291 | 205095 | 0 | None | - | 0 | Bovine | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 555 | 12 | 4 | 5 | 4.6 | [N-]=[N+]=Nc1ccc(CC[C@H](O)/C=C/[C@H]2[C@H](O)C[C@H](O)[C@@H]2C/C=C\CCCC(=O)O)cc1I | 10.1021/jm00121a046 | ||
CHEMBL90450 | 205095 | 0 | None | - | 0 | Bovine | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 555 | 12 | 4 | 5 | 4.6 | [N-]=[N+]=Nc1ccc(CC[C@H](O)/C=C/[C@H]2[C@H](O)C[C@H](O)[C@@H]2C/C=C\CCCC(=O)O)cc1I | 10.1021/jm00121a046 | ||
71450954 | 79154 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 416 | 13 | 4 | 4 | 3.9 | O=C(O)CCC/C=C\C[C@@H]1C(/C=C/[C@H](O)CCCCc2ccccc2)[C@H](O)C[C@@H]1O | 10.1021/jm00121a046 | ||
CHEMBL2114230 | 79154 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 416 | 13 | 4 | 4 | 3.9 | O=C(O)CCC/C=C\C[C@@H]1C(/C=C/[C@H](O)CCCCc2ccccc2)[C@H](O)C[C@@H]1O | 10.1021/jm00121a046 | ||
44570668 | 183435 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 572 | 6 | 1 | 4 | 5.6 | CC12CCCC(/C=C/C(=O)NS(=O)(=O)c3cc(F)c(F)cc3F)=C1N(Cc1cccc(Cl)c1Cl)C(=O)C2 | 10.1016/j.bmcl.2008.12.027 | ||
CHEMBL482018 | 183435 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 572 | 6 | 1 | 4 | 5.6 | CC12CCCC(/C=C/C(=O)NS(=O)(=O)c3cc(F)c(F)cc3F)=C1N(Cc1cccc(Cl)c1Cl)C(=O)C2 | 10.1016/j.bmcl.2008.12.027 | ||
9909510 | 99855 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 410 | 13 | 4 | 4 | 3.7 | O=C(O)CCCCCC[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1CC[C@@H](O)CCc1ccccc1F | 10.1016/s0960-894x(00)00273-0 | ||
CHEMBL289373 | 99855 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 410 | 13 | 4 | 4 | 3.7 | O=C(O)CCCCCC[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1CC[C@@H](O)CCc1ccccc1F | 10.1016/s0960-894x(00)00273-0 | ||
44570712 | 182496 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 572 | 6 | 1 | 4 | 5.6 | CC12CCCC(/C=C/C(=O)NS(=O)(=O)c3cc(F)c(F)cc3F)=C1N(Cc1ccc(Cl)cc1Cl)C(=O)C2 | 10.1016/j.bmcl.2008.12.027 | ||
CHEMBL479439 | 182496 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 572 | 6 | 1 | 4 | 5.6 | CC12CCCC(/C=C/C(=O)NS(=O)(=O)c3cc(F)c(F)cc3F)=C1N(Cc1ccc(Cl)cc1Cl)C(=O)C2 | 10.1016/j.bmcl.2008.12.027 | ||
10389527 | 152811 | 15 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 460 | 13 | 4 | 4 | 4.6 | O=C(O)CCCCCC[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1CC[C@@H](O)CCc1cccc(C(F)(F)F)c1 | 10.1016/s0960-894x(00)00273-0 | ||
CHEMBL39784 | 152811 | 15 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 460 | 13 | 4 | 4 | 4.6 | O=C(O)CCCCCC[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1CC[C@@H](O)CCc1cccc(C(F)(F)F)c1 | 10.1016/s0960-894x(00)00273-0 | ||
10389527 | 152811 | 15 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 460 | 13 | 4 | 4 | 4.6 | O=C(O)CCCCCC[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1CC[C@@H](O)CCc1cccc(C(F)(F)F)c1 | 10.1016/s0960-894x(00)00273-0 | ||
CHEMBL39784 | 152811 | 15 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 460 | 13 | 4 | 4 | 4.6 | O=C(O)CCCCCC[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1CC[C@@H](O)CCc1cccc(C(F)(F)F)c1 | 10.1016/s0960-894x(00)00273-0 | ||
15486806 | 100021 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | 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 | 10.1016/s0960-894x(00)00273-0 | ||
CHEMBL290969 | 100021 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | 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 | 10.1016/s0960-894x(00)00273-0 | ||
10739351 | 167753 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 393 | 13 | 5 | 5 | 3.0 | O=C(O)CCCCCC[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1CCC(O)CNc1ccccc1 | 10.1021/jm990542v | ||
CHEMBL434173 | 167753 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 393 | 13 | 5 | 5 | 3.0 | O=C(O)CCCCCC[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1CCC(O)CNc1ccccc1 | 10.1021/jm990542v | ||
122522051 | 152479 | 10 | None | - | 1 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 599 | 11 | 2 | 7 | 4.3 | CC(C)[C@H](N)C(=O)OCC[C@H](NC(=O)[C@@H]1SCCN1S(=O)(=O)c1ccc(-c2ccccc2)cc1)c1ccc(F)cc1 | nan | ||
CHEMBL3975522 | 152479 | 10 | None | - | 1 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 599 | 11 | 2 | 7 | 4.3 | CC(C)[C@H](N)C(=O)OCC[C@H](NC(=O)[C@@H]1SCCN1S(=O)(=O)c1ccc(-c2ccccc2)cc1)c1ccc(F)cc1 | nan | ||
1884 | 3034 | 46 | None | -4 | 22 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 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 | 10.1021/jm990587w | ||
5280363 | 3034 | 46 | None | -4 | 22 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 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 | 10.1021/jm990587w | ||
912 | 3034 | 46 | None | -4 | 22 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 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 | 10.1021/jm990587w | ||
CHEMBL815 | 3034 | 46 | None | -4 | 22 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 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 | 10.1021/jm990587w | ||
DB12789 | 3034 | 46 | None | -4 | 22 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 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 | 10.1021/jm990587w | ||
44564518 | 192566 | 0 | None | - | 1 | Bovine | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 394 | 12 | 4 | 6 | 1.8 | O=C(O)CCC/C=C\C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1OC[C@@H](O)COc1ccccc1 | 10.1016/j.bmc.2008.11.070 | ||
CHEMBL523143 | 192566 | 0 | None | - | 1 | Bovine | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 394 | 12 | 4 | 6 | 1.8 | O=C(O)CCC/C=C\C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1OC[C@@H](O)COc1ccccc1 | 10.1016/j.bmc.2008.11.070 | ||
53358922 | 64099 | 0 | None | -229 | 6 | Mouse | 5.9 | pKi | = | 5.9 | 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 | -229 | 6 | Mouse | 5.9 | pKi | = | 5.9 | 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 | ||
1884 | 3034 | 46 | None | -14 | 22 | Bovine | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 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 | 10.1016/j.bmcl.2004.06.037 | ||
5280363 | 3034 | 46 | None | -14 | 22 | Bovine | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 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 | 10.1016/j.bmcl.2004.06.037 | ||
912 | 3034 | 46 | None | -14 | 22 | Bovine | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 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 | 10.1016/j.bmcl.2004.06.037 | ||
CHEMBL815 | 3034 | 46 | None | -14 | 22 | Bovine | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 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 | 10.1016/j.bmcl.2004.06.037 | ||
DB12789 | 3034 | 46 | None | -14 | 22 | Bovine | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 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 | 10.1016/j.bmcl.2004.06.037 | ||
1884 | 3034 | 46 | None | -14 | 22 | Bovine | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 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 | 10.1016/j.bmc.2008.11.070 | ||
5280363 | 3034 | 46 | None | -14 | 22 | Bovine | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 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 | 10.1016/j.bmc.2008.11.070 | ||
912 | 3034 | 46 | None | -14 | 22 | Bovine | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 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 | 10.1016/j.bmc.2008.11.070 | ||
CHEMBL815 | 3034 | 46 | None | -14 | 22 | Bovine | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 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 | 10.1016/j.bmc.2008.11.070 | ||
DB12789 | 3034 | 46 | None | -14 | 22 | Bovine | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 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 | 10.1016/j.bmc.2008.11.070 | ||
44564468 | 192105 | 0 | None | - | 1 | Bovine | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 460 | 12 | 4 | 5 | 3.3 | O=C(O)CCC/C=C\C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1OC[C@H](O)CCc1cccc(C(F)(F)F)c1 | 10.1016/j.bmc.2008.11.070 | ||
CHEMBL521964 | 192105 | 0 | None | - | 1 | Bovine | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 460 | 12 | 4 | 5 | 3.3 | O=C(O)CCC/C=C\C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1OC[C@H](O)CCc1cccc(C(F)(F)F)c1 | 10.1016/j.bmc.2008.11.070 | ||
9895436 | 106533 | 0 | None | -72 | 7 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 628 | 8 | 1 | 4 | 7.4 | CC(C)(Cc1ccccc1)C(=O)NS(=O)(=O)c1ccccc1-c1ccc(CN2C(=O)c3ccccc3CCc3ccccc32)cc1 | 10.1016/s0960-894x(99)00465-5 | ||
CHEMBL315391 | 106533 | 0 | None | -72 | 7 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 628 | 8 | 1 | 4 | 7.4 | CC(C)(Cc1ccccc1)C(=O)NS(=O)(=O)c1ccccc1-c1ccc(CN2C(=O)c3ccccc3CCc3ccccc32)cc1 | 10.1016/s0960-894x(99)00465-5 | ||
44564520 | 186207 | 0 | None | - | 1 | Bovine | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 428 | 12 | 4 | 6 | 2.4 | O=C(O)CCC/C=C\C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1OC[C@H](O)COc1cccc(Cl)c1 | 10.1016/j.bmc.2008.11.070 | ||
CHEMBL489109 | 186207 | 0 | None | - | 1 | Bovine | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 428 | 12 | 4 | 6 | 2.4 | O=C(O)CCC/C=C\C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1OC[C@H](O)COc1cccc(Cl)c1 | 10.1016/j.bmc.2008.11.070 | ||
53358921 | 64110 | 0 | None | -295 | 6 | Mouse | 5.9 | pKi | = | 5.9 | 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 | -295 | 6 | Mouse | 5.9 | pKi | = | 5.9 | 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 | ||
11597294 | 165623 | 4 | None | -16982 | 8 | Human | 4.9 | pKi | = | 4.9 | 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 | -16982 | 8 | Human | 4.9 | pKi | = | 4.9 | 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 | ||
44393448 | 65249 | 0 | None | - | 1 | Bovine | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 424 | 12 | 3 | 5 | 3.6 | O=C(O)CC/C=C\CCC[C@H]1[C@@H](O)CO[C@@H]1/C=C/[C@@H](O)COc1cccc(Cl)c1 | 10.1016/j.bmcl.2004.06.037 | ||
CHEMBL183193 | 65249 | 0 | None | - | 1 | Bovine | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 424 | 12 | 3 | 5 | 3.6 | O=C(O)CC/C=C\CCC[C@H]1[C@@H](O)CO[C@@H]1/C=C/[C@@H](O)COc1cccc(Cl)c1 | 10.1016/j.bmcl.2004.06.037 | ||
11283 | 579 | 6 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 543 | 8 | 2 | 4 | 5.9 | OC(=O)CC[C@H](c1ccccc1Cl)CNC(=O)c1c(C)c(nc2c1cc(Br)cc2)N1CCCC1 | 10.1021/acs.jmedchem.0c00834 | ||
146368333 | 579 | 6 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 543 | 8 | 2 | 4 | 5.9 | OC(=O)CC[C@H](c1ccccc1Cl)CNC(=O)c1c(C)c(nc2c1cc(Br)cc2)N1CCCC1 | 10.1021/acs.jmedchem.0c00834 | ||
CHEMBL4643852 | 579 | 6 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 543 | 8 | 2 | 4 | 5.9 | OC(=O)CC[C@H](c1ccccc1Cl)CNC(=O)c1c(C)c(nc2c1cc(Br)cc2)N1CCCC1 | 10.1021/acs.jmedchem.0c00834 | ||
10277744 | 64081 | 0 | None | -60 | 7 | Mouse | 5.8 | pKi | = | 5.8 | 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 | -60 | 7 | Mouse | 5.8 | pKi | = | 5.8 | 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 | ||
10228100 | 64083 | 0 | None | -295 | 5 | Mouse | 5.8 | pKi | = | 5.8 | 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 | -295 | 5 | Mouse | 5.8 | pKi | = | 5.8 | 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 | ||
10181606 | 204628 | 0 | None | -676 | 7 | Human | 4.8 | pKi | = | 4.8 | 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 | -676 | 7 | Human | 4.8 | pKi | = | 4.8 | 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 | ||
10551015 | 109623 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 438 | 11 | 4 | 5 | 3.6 | O=C(O)CCC/C=C\C[C@H]1[C@@H](O)CC[C@@H](O)[C@@H]1/C=C/[C@@H](O)COc1cccc(Cl)c1 | 10.1021/jm990587w | ||
CHEMBL323591 | 109623 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 438 | 11 | 4 | 5 | 3.6 | O=C(O)CCC/C=C\C[C@H]1[C@@H](O)CC[C@@H](O)[C@@H]1/C=C/[C@@H](O)COc1cccc(Cl)c1 | 10.1021/jm990587w | ||
15948325 | 2490 | 39 | None | -1621 | 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 | -1621 | 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 | -1621 | 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 | ||
10116116 | 64080 | 0 | None | -269 | 5 | Mouse | 5.7 | pKi | = | 5.7 | 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 | -269 | 5 | Mouse | 5.7 | pKi | = | 5.7 | 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 | ||
11476788 | 160727 | 0 | None | -147 | 6 | Human | 4.7 | pKi | = | 4.7 | 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 | -147 | 6 | Human | 4.7 | pKi | = | 4.7 | 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 | ||
10185612 | 64082 | 0 | None | -75 | 4 | Mouse | 5.7 | pKi | = | 5.7 | 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 | -75 | 4 | Mouse | 5.7 | pKi | = | 5.7 | 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 | ||
11743212 | 16982 | 0 | None | -7244 | 7 | Human | 4.7 | pKi | = | 4.7 | 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 | -7244 | 7 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 426 | 7 | 1 | 3 | 6.8 | O=C(O)C1CC1c1ccccc1-c1csc(-c2ccccc2OCc2ccccc2)c1 | 10.1016/s0960-894x(03)00794-7 | ||
24765153 | 183947 | 0 | None | -39810 | 8 | Human | 4.6 | pKi | = | 4.6 | 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 | -39810 | 8 | Human | 4.6 | pKi | = | 4.6 | 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 | ||
10299717 | 64086 | 0 | None | -758 | 6 | Mouse | 5.6 | pKi | = | 5.6 | 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 | -758 | 6 | Mouse | 5.6 | pKi | = | 5.6 | 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 | ||
44393607 | 97653 | 0 | None | - | 1 | Bovine | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 390 | 12 | 3 | 5 | 3.0 | O=C(O)CCCC/C=C\C[C@H]1[C@@H](O)CO[C@@H]1/C=C/[C@H](O)COc1ccccc1 | 10.1016/j.bmcl.2004.06.037 | ||
CHEMBL273444 | 97653 | 0 | None | - | 1 | Bovine | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 390 | 12 | 3 | 5 | 3.0 | O=C(O)CCCC/C=C\C[C@H]1[C@@H](O)CO[C@@H]1/C=C/[C@H](O)COc1ccccc1 | 10.1016/j.bmcl.2004.06.037 | ||
1894 | 943 | 35 | None | 1 | 5 | Human | 7.5 | pKi | = | 7.5 | 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/jm990587w | ||
5311053 | 943 | 35 | None | 1 | 5 | Human | 7.5 | pKi | = | 7.5 | 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/jm990587w | ||
CHEMBL37853 | 943 | 35 | None | 1 | 5 | Human | 7.5 | pKi | = | 7.5 | 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/jm990587w | ||
DB11507 | 943 | 35 | None | 1 | 5 | Human | 7.5 | pKi | = | 7.5 | 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/jm990587w | ||
44393462 | 66513 | 0 | None | - | 1 | Bovine | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 458 | 12 | 3 | 5 | 4.0 | O=C(O)CCCC/C=C\C[C@H]1[C@@H](O)CO[C@@H]1/C=C/[C@@H](O)COc1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2004.06.037 | ||
CHEMBL186192 | 66513 | 0 | None | - | 1 | Bovine | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 458 | 12 | 3 | 5 | 4.0 | O=C(O)CCCC/C=C\C[C@H]1[C@@H](O)CO[C@@H]1/C=C/[C@@H](O)COc1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2004.06.037 | ||
10116114 | 125365 | 0 | None | -891 | 8 | Mouse | 5.5 | pKi | = | 5.5 | 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 | -891 | 8 | Mouse | 5.5 | pKi | = | 5.5 | 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 | -891 | 8 | Mouse | 5.5 | pKi | = | 5.5 | 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 | -891 | 8 | Mouse | 5.5 | pKi | = | 5.5 | 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 | ||
44393420 | 65829 | 0 | None | - | 1 | Bovine | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 390 | 12 | 3 | 5 | 3.0 | O=C(O)CC/C=C\CCC[C@H]1[C@@H](O)CO[C@@H]1/C=C/[C@@H](O)COc1ccccc1 | 10.1016/j.bmcl.2004.06.037 | ||
CHEMBL184249 | 65829 | 0 | None | - | 1 | Bovine | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 390 | 12 | 3 | 5 | 3.0 | O=C(O)CC/C=C\CCC[C@H]1[C@@H](O)CO[C@@H]1/C=C/[C@@H](O)COc1ccccc1 | 10.1016/j.bmcl.2004.06.037 | ||
15947857 | 154975 | 8 | None | -301 | 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 | -301 | 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 | ||
44393431 | 66374 | 0 | None | - | 1 | Bovine | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 458 | 12 | 3 | 5 | 4.0 | O=C(O)CC/C=C\CCC[C@H]1[C@@H](O)CO[C@@H]1/C=C/[C@@H](O)COc1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2004.06.037 | ||
CHEMBL185559 | 66374 | 0 | None | - | 1 | Bovine | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 458 | 12 | 3 | 5 | 4.0 | O=C(O)CC/C=C\CCC[C@H]1[C@@H](O)CO[C@@H]1/C=C/[C@@H](O)COc1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2004.06.037 | ||
9939791 | 161369 | 0 | None | -316 | 8 | Human | 5.4 | pKi | = | 5.4 | 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 | -316 | 8 | Human | 5.4 | pKi | = | 5.4 | 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 | ||
11488860 | 19095 | 0 | None | -9999 | 8 | Human | 5.4 | pKi | = | 5.4 | 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 | -9999 | 8 | Human | 5.4 | pKi | = | 5.4 | 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 | ||
9809136 | 106406 | 0 | None | -501 | 8 | Human | 5.3 | pKi | = | 5.3 | 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 | -501 | 8 | Human | 5.3 | pKi | = | 5.3 | 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 | ||
44393422 | 123886 | 0 | None | - | 1 | Bovine | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 390 | 12 | 3 | 5 | 3.0 | O=C(O)CC/C=C\CCC[C@H]1[C@@H](O)CO[C@@H]1/C=C/[C@H](O)COc1ccccc1 | 10.1016/j.bmcl.2004.06.037 | ||
CHEMBL363946 | 123886 | 0 | None | - | 1 | Bovine | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 390 | 12 | 3 | 5 | 3.0 | O=C(O)CC/C=C\CCC[C@H]1[C@@H](O)CO[C@@H]1/C=C/[C@H](O)COc1ccccc1 | 10.1016/j.bmcl.2004.06.037 | ||
6438324 | 66358 | 2 | None | - | 1 | Bovine | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 500 | 12 | 3 | 6 | 4.4 | CC(C)OC(=O)CCC/C=C/C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1/C=C/C(O)COc1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2004.06.037 | ||
CHEMBL185484 | 66358 | 2 | None | - | 1 | Bovine | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 500 | 12 | 3 | 6 | 4.4 | CC(C)OC(=O)CCC/C=C/C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1/C=C/C(O)COc1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2004.06.037 | ||
9938626 | 205106 | 0 | None | -331 | 7 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 600 | 7 | 1 | 4 | 6.9 | CC(C(=O)NS(=O)(=O)c1ccccc1-c1ccc(CN2C(=O)c3ccccc3CCc3ccccc32)cc1)c1ccccc1 | 10.1016/s0960-894x(99)00465-5 | ||
CHEMBL90491 | 205106 | 0 | None | -331 | 7 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 600 | 7 | 1 | 4 | 6.9 | CC(C(=O)NS(=O)(=O)c1ccccc1-c1ccc(CN2C(=O)c3ccccc3CCc3ccccc32)cc1)c1ccccc1 | 10.1016/s0960-894x(99)00465-5 | ||
10717894 | 166439 | 0 | None | - | 1 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 438 | 11 | 4 | 5 | 3.6 | O=C(O)CCC/C=C\C[C@H]1[C@@H](O)CC[C@@H](O)[C@@H]1/C=C/[C@H](O)COc1cccc(Cl)c1 | 10.1021/jm990587w | ||
CHEMBL428794 | 166439 | 0 | None | - | 1 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 438 | 11 | 4 | 5 | 3.6 | O=C(O)CCC/C=C\C[C@H]1[C@@H](O)CC[C@@H](O)[C@@H]1/C=C/[C@H](O)COc1cccc(Cl)c1 | 10.1021/jm990587w | ||
10217804 | 150309 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 500 | 8 | 2 | 5 | 3.8 | O=C(N[C@@H](CCO)c1ccc(F)cc1)[C@@H]1SCCN1S(=O)(=O)c1ccc(-c2ccccc2)cc1 | nan | ||
CHEMBL3957115 | 150309 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 500 | 8 | 2 | 5 | 3.8 | O=C(N[C@@H](CCO)c1ccc(F)cc1)[C@@H]1SCCN1S(=O)(=O)c1ccc(-c2ccccc2)cc1 | nan | ||
9874010 | 205461 | 0 | None | -363 | 8 | Human | 5.2 | pKi | = | 5.2 | 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 | -363 | 8 | Human | 5.2 | pKi | = | 5.2 | 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 | ||
44393601 | 64529 | 0 | None | - | 1 | Bovine | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 390 | 12 | 3 | 5 | 3.0 | O=C(O)CCCC/C=C\C[C@H]1[C@@H](O)CO[C@@H]1/C=C/[C@@H](O)COc1ccccc1 | 10.1016/j.bmcl.2004.06.037 | ||
CHEMBL182117 | 64529 | 0 | None | - | 1 | Bovine | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 390 | 12 | 3 | 5 | 3.0 | O=C(O)CCCC/C=C\C[C@H]1[C@@H](O)CO[C@@H]1/C=C/[C@@H](O)COc1ccccc1 | 10.1016/j.bmcl.2004.06.037 | ||
25003075 | 6760 | 12 | None | -22908 | 7 | Human | 5.2 | pKi | = | 5.2 | 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 | -22908 | 7 | Human | 5.2 | pKi | = | 5.2 | 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 | ||
44393474 | 122477 | 0 | None | - | 1 | Bovine | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 340 | 12 | 3 | 4 | 3.1 | CCCCC[C@H](O)/C=C/[C@H]1OC[C@H](O)[C@@H]1C/C=C\CCCC(=O)O | 10.1016/j.bmcl.2004.06.037 | ||
CHEMBL360869 | 122477 | 0 | None | - | 1 | Bovine | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 340 | 12 | 3 | 4 | 3.1 | CCCCC[C@H](O)/C=C/[C@H]1OC[C@H](O)[C@@H]1C/C=C\CCCC(=O)O | 10.1016/j.bmcl.2004.06.037 | ||
9845493 | 186522 | 0 | None | - | 1 | Bovine | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 428 | 12 | 4 | 6 | 2.4 | O=C(O)CCC/C=C\C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1OC[C@@H](O)COc1cccc(Cl)c1 | 10.1016/j.bmc.2008.11.070 | ||
CHEMBL491474 | 186522 | 0 | None | - | 1 | Bovine | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 428 | 12 | 4 | 6 | 2.4 | O=C(O)CCC/C=C\C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1OC[C@@H](O)COc1cccc(Cl)c1 | 10.1016/j.bmc.2008.11.070 | ||
9868867 | 186539 | 0 | None | - | 1 | Bovine | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 460 | 12 | 4 | 5 | 3.3 | O=C(O)CCC/C=C\C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1OC[C@@H](O)CCc1cccc(C(F)(F)F)c1 | 10.1016/j.bmc.2008.11.070 | ||
CHEMBL491667 | 186539 | 0 | None | - | 1 | Bovine | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 460 | 12 | 4 | 5 | 3.3 | O=C(O)CCC/C=C\C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1OC[C@@H](O)CCc1cccc(C(F)(F)F)c1 | 10.1016/j.bmc.2008.11.070 | ||
44393438 | 65833 | 0 | None | - | 1 | Bovine | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 424 | 12 | 3 | 5 | 3.6 | O=C(O)CCCC/C=C\C[C@H]1[C@@H](O)CO[C@@H]1/C=C/[C@H](O)COc1cccc(Cl)c1 | 10.1016/j.bmcl.2004.06.037 | ||
CHEMBL184264 | 65833 | 0 | None | - | 1 | Bovine | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 424 | 12 | 3 | 5 | 3.6 | O=C(O)CCCC/C=C\C[C@H]1[C@@H](O)CO[C@@H]1/C=C/[C@H](O)COc1cccc(Cl)c1 | 10.1016/j.bmcl.2004.06.037 | ||
44393451 | 167687 | 0 | None | - | 1 | Bovine | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 424 | 12 | 3 | 5 | 3.6 | O=C(O)CC/C=C\CCC[C@H]1[C@@H](O)CO[C@@H]1/C=C/[C@H](O)COc1cccc(Cl)c1 | 10.1016/j.bmcl.2004.06.037 | ||
CHEMBL433752 | 167687 | 0 | None | - | 1 | Bovine | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 424 | 12 | 3 | 5 | 3.6 | O=C(O)CC/C=C\CCC[C@H]1[C@@H](O)CO[C@@H]1/C=C/[C@H](O)COc1cccc(Cl)c1 | 10.1016/j.bmcl.2004.06.037 | ||
44564519 | 186523 | 0 | None | - | 1 | Bovine | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 394 | 12 | 4 | 6 | 1.8 | O=C(O)CCC/C=C\C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1OC[C@H](O)COc1ccccc1 | 10.1016/j.bmc.2008.11.070 | ||
CHEMBL491475 | 186523 | 0 | None | - | 1 | Bovine | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 394 | 12 | 4 | 6 | 1.8 | O=C(O)CCC/C=C\C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1OC[C@H](O)COc1ccccc1 | 10.1016/j.bmc.2008.11.070 | ||
44393436 | 122468 | 0 | None | - | 1 | Bovine | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 424 | 12 | 3 | 5 | 3.6 | O=C(O)CCCC/C=C\C[C@H]1[C@@H](O)CO[C@@H]1/C=C/[C@@H](O)COc1cccc(Cl)c1 | 10.1016/j.bmcl.2004.06.037 | ||
CHEMBL360862 | 122468 | 0 | None | - | 1 | Bovine | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 424 | 12 | 3 | 5 | 3.6 | O=C(O)CCCC/C=C\C[C@H]1[C@@H](O)CO[C@@H]1/C=C/[C@@H](O)COc1cccc(Cl)c1 | 10.1016/j.bmcl.2004.06.037 | ||
5282380 | 124523 | 38 | None | - | 1 | Bovine | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 432 | 13 | 3 | 5 | 4.2 | CC(C)OC(=O)CCC/C=C/C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1CC[C@@H](O)CCc1ccccc1 | 10.1016/j.bmcl.2004.06.037 | ||
CHEMBL364375 | 124523 | 38 | None | - | 1 | Bovine | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 432 | 13 | 3 | 5 | 4.2 | CC(C)OC(=O)CCC/C=C/C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1CC[C@@H](O)CCc1ccccc1 | 10.1016/j.bmcl.2004.06.037 | ||
1960 | 2253 | 38 | None | -38 | 2 | Bovine | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 390 | 12 | 4 | 4 | 3.3 | O[C@@H](CCc1ccccc1)CC[C@H]1[C@H](O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.bmc.2008.11.070 | ||
6441636 | 2253 | 38 | None | -38 | 2 | Bovine | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 390 | 12 | 4 | 4 | 3.3 | O[C@@H](CCc1ccccc1)CC[C@H]1[C@H](O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.bmc.2008.11.070 | ||
CHEMBL1050 | 2253 | 38 | None | -38 | 2 | Bovine | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 390 | 12 | 4 | 4 | 3.3 | O[C@@H](CCc1ccccc1)CC[C@H]1[C@H](O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.bmc.2008.11.070 | ||
44393457 | 123700 | 0 | None | - | 1 | Bovine | 5.0 | pKi | = | 5 | Binding | ChEMBL | 458 | 12 | 3 | 5 | 4.0 | O=C(O)CC/C=C\CCC[C@H]1[C@@H](O)CO[C@@H]1/C=C/[C@H](O)COc1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2004.06.037 | ||
CHEMBL363439 | 123700 | 0 | None | - | 1 | Bovine | 5.0 | pKi | = | 5 | Binding | ChEMBL | 458 | 12 | 3 | 5 | 4.0 | O=C(O)CC/C=C\CCC[C@H]1[C@@H](O)CO[C@@H]1/C=C/[C@H](O)COc1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2004.06.037 | ||
3356 | 2248 | 68 | None | -398 | 8 | Human | 5.0 | pKi | = | 5 | 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 | -398 | 8 | Human | 5.0 | pKi | = | 5 | 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 | -398 | 8 | Human | 5.0 | pKi | = | 5 | 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 | -398 | 8 | Human | 5.0 | pKi | = | 5 | 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 | -398 | 8 | Human | 5.0 | pKi | = | 5 | 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 | ||
11283 | 579 | 6 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Binding | Guide to Pharmacology | 543 | 8 | 2 | 4 | 5.9 | OC(=O)CC[C@H](c1ccccc1Cl)CNC(=O)c1c(C)c(nc2c1cc(Br)cc2)N1CCCC1 | 32969660 | ||
146368333 | 579 | 6 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Binding | Guide to Pharmacology | 543 | 8 | 2 | 4 | 5.9 | OC(=O)CC[C@H](c1ccccc1Cl)CNC(=O)c1c(C)c(nc2c1cc(Br)cc2)N1CCCC1 | 32969660 | ||
CHEMBL4643852 | 579 | 6 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Binding | Guide to Pharmacology | 543 | 8 | 2 | 4 | 5.9 | OC(=O)CC[C@H](c1ccccc1Cl)CNC(=O)c1c(C)c(nc2c1cc(Br)cc2)N1CCCC1 | 32969660 | ||
1884 | 3034 | 46 | None | -4 | 22 | Human | 8.1 | pKd | = | 8.1 | 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 | -4 | 22 | Human | 8.1 | pKd | = | 8.1 | 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 | -4 | 22 | Human | 8.1 | pKd | = | 8.1 | 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 | -4 | 22 | Human | 8.1 | pKd | = | 8.1 | 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 | -4 | 22 | Human | 8.1 | pKd | = | 8.1 | 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 | ||
67861203 | 214294 | 0 | 3H-PGF2Alpha | 9 | 8 | Human | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | 424 | 11 | 4 | 5 | 3.2 | C1C(C(C(C1O)C=CC(COC2=CC(=CC=C2)Cl)O)CC=CCCCC(=O)O)O | None | ||
1940 | 1633 | 38 | 3H-PGF2Alpha | -41 | 10 | Bovine | 7.0 | pKi | = | 7 | Binding | PDSP KiDatabase | 458 | 11 | 4 | 5 | 3.6 | OC(=O)CCC/C=C\C[C@H]1[C@@H](O)C[C@H]([C@@H]1/C=C/[C@H](COc1cccc(c1)C(F)(F)F)O)O | None | ||
3417 | 1633 | 38 | 3H-PGF2Alpha | -41 | 10 | Bovine | 7.0 | pKi | = | 7 | Binding | PDSP KiDatabase | 458 | 11 | 4 | 5 | 3.6 | OC(=O)CCC/C=C\C[C@H]1[C@@H](O)C[C@H]([C@@H]1/C=C/[C@H](COc1cccc(c1)C(F)(F)F)O)O | None | ||
5311100 | 1633 | 38 | 3H-PGF2Alpha | -41 | 10 | Bovine | 7.0 | pKi | = | 7 | Binding | PDSP KiDatabase | 458 | 11 | 4 | 5 | 3.6 | OC(=O)CCC/C=C\C[C@H]1[C@@H](O)C[C@H]([C@@H]1/C=C/[C@H](COc1cccc(c1)C(F)(F)F)O)O | None | ||
CHEMBL1201379 | 1633 | 38 | 3H-PGF2Alpha | -41 | 10 | Bovine | 7.0 | pKi | = | 7 | Binding | PDSP KiDatabase | 458 | 11 | 4 | 5 | 3.6 | OC(=O)CCC/C=C\C[C@H]1[C@@H](O)C[C@H]([C@@H]1/C=C/[C@H](COc1cccc(c1)C(F)(F)F)O)O | None | ||
DB11519 | 1633 | 38 | 3H-PGF2Alpha | -41 | 10 | Bovine | 7.0 | pKi | = | 7 | Binding | PDSP KiDatabase | 458 | 11 | 4 | 5 | 3.6 | OC(=O)CCC/C=C\C[C@H]1[C@@H](O)C[C@H]([C@@H]1/C=C/[C@H](COc1cccc(c1)C(F)(F)F)O)O | None | ||
1883 | 3033 | 71 | 3H-PGF2Alpha | -41 | 24 | Mouse | 7.0 | pKi | = | 7 | 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-PGF2Alpha | -41 | 24 | Mouse | 7.0 | pKi | = | 7 | 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-PGF2Alpha | -41 | 24 | Mouse | 7.0 | pKi | = | 7 | 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-PGF2Alpha | -41 | 24 | Mouse | 7.0 | pKi | = | 7 | 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-PGF2Alpha | -41 | 24 | Mouse | 7.0 | pKi | = | 7 | 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-PGF2Alpha | -41 | 24 | Mouse | 7.0 | pKi | = | 7 | 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 | ||
None | 214278 | 0 | 3H-PGF2Alpha | -1 | 3 | Mouse | 7.0 | pKi | = | 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 | ||
1888 | 3837 | 26 | 3H-PGF2Alpha | -39 | 17 | Mouse | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 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 | None | ||
1974 | 3837 | 26 | 3H-PGF2Alpha | -39 | 17 | Mouse | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 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 | None | ||
5311493 | 3837 | 26 | 3H-PGF2Alpha | -39 | 17 | Mouse | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 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 | None | ||
CHEMBL521784 | 3837 | 26 | 3H-PGF2Alpha | -39 | 17 | Mouse | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 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 | None | ||
91798918 | 214292 | 0 | 3H-PGF2Alpha | -147 | 10 | Bovine | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 400 | 10 | 2 | 6 | 2.6 | COC(=O)CCC=C=CCC1C(C(CC1=O)O)C=CC(COC2=CC=CC=C2)O | None | ||
119461 | 317 | 66 | 3H-PGF2Alpha | -30 | 10 | Human | 5.0 | pKi | = | 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-PGF2Alpha | -30 | 10 | Human | 5.0 | pKi | = | 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-PGF2Alpha | -30 | 10 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 298 | 3 | 1 | 4 | 3.4 | CC(Oc1ccc2c(c1)oc1c(c2=O)cc(cc1)C(=O)O)C | None | ||
119304 | 741 | 0 | 3H-PGF2Alpha | -14125 | 9 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 368 | 11 | 3 | 4 | 2.7 | OC(=O)CCCCCCC1C(=O)NC(=O)N1CCC(C1CCCCC1)O | None | ||
1878 | 741 | 0 | 3H-PGF2Alpha | -14125 | 9 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 368 | 11 | 3 | 4 | 2.7 | OC(=O)CCCCCCC1C(=O)NC(=O)N1CCC(C1CCCCC1)O | None | ||
40481312 | 741 | 0 | 3H-PGF2Alpha | -14125 | 9 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 368 | 11 | 3 | 4 | 2.7 | OC(=O)CCCCCCC1C(=O)NC(=O)N1CCC(C1CCCCC1)O | None | ||
CHEMBL575504 | 741 | 0 | 3H-PGF2Alpha | -14125 | 9 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 368 | 11 | 3 | 4 | 2.7 | OC(=O)CCCCCCC1C(=O)NC(=O)N1CCC(C1CCCCC1)O | None | ||
122021 | 745 | 0 | 3H-PGF2Alpha | -7585 | 4 | Bovine | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 459 | 13 | 3 | 5 | 3.7 | OC(=O)CCCCCCC1N(NCC(C2CCCCC2)O)C(=O)N(C1=O)Cc1ccccc1 | None | ||
1897 | 745 | 0 | 3H-PGF2Alpha | -7585 | 4 | Bovine | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 459 | 13 | 3 | 5 | 3.7 | OC(=O)CCCCCCC1N(NCC(C2CCCCC2)O)C(=O)N(C1=O)Cc1ccccc1 | None | ||
1899 | 745 | 0 | 3H-PGF2Alpha | -7585 | 4 | Bovine | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 459 | 13 | 3 | 5 | 3.7 | OC(=O)CCCCCCC1N(NCC(C2CCCCC2)O)C(=O)N(C1=O)Cc1ccccc1 | None | ||
1817 | 2506 | 60 | 3H-PGF2Alpha | -20 | 12 | Human | 5.0 | pKi | = | 5 | 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-PGF2Alpha | -20 | 12 | Human | 5.0 | pKi | = | 5 | 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-PGF2Alpha | -20 | 12 | Human | 5.0 | pKi | = | 5 | 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-PGF2Alpha | -20 | 12 | Human | 5.0 | pKi | = | 5 | 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-PGF2Alpha | -20 | 12 | Human | 5.0 | pKi | = | 5 | 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 | ||
138 | 3032 | 84 | 3H-PGF2Alpha | -10000 | 18 | Bovine | 5.0 | pKi | = | 5 | 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-PGF2Alpha | -10000 | 18 | Bovine | 5.0 | pKi | = | 5 | 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-PGF2Alpha | -10000 | 18 | Bovine | 5.0 | pKi | = | 5 | 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-PGF2Alpha | -10000 | 18 | Bovine | 5.0 | pKi | = | 5 | 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-PGF2Alpha | -10000 | 18 | Bovine | 5.0 | pKi | = | 5 | 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 | ||
1980 | 3605 | 0 | 3H-PGF2Alpha | -10000 | 9 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 387 | 10 | 4 | 4 | 3.3 | O=C(Nc1ccccc1)NNC[C@@H]1[C@@H]2CC[C@H]([C@@H]1C/C=C\CCCC(=O)O)O2 | None | ||
1985 | 3605 | 0 | 3H-PGF2Alpha | -10000 | 9 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 387 | 10 | 4 | 4 | 3.3 | O=C(Nc1ccccc1)NNC[C@@H]1[C@@H]2CC[C@H]([C@@H]1C/C=C\CCCC(=O)O)O2 | None | ||
6437074 | 3605 | 0 | 3H-PGF2Alpha | -10000 | 9 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 387 | 10 | 4 | 4 | 3.3 | O=C(Nc1ccccc1)NNC[C@@H]1[C@@H]2CC[C@H]([C@@H]1C/C=C\CCCC(=O)O)O2 | None | ||
5311035 | 97354 | 27 | 3H-PGF2Alpha | -91 | 9 | Human | 5.0 | pKi | = | 5 | 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-PGF2Alpha | -91 | 9 | Human | 5.0 | pKi | = | 5 | 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 | ||
133126726 | 214274 | 0 | 3H-PGF2Alpha | -954 | 14 | Bovine | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 350 | 10 | 3 | 3 | 4.1 | CCCCCC(C=CC1C(CC2C1CC(=CCCCC(=O)O)C2)O)O | None | ||
24868263 | 214274 | 0 | 3H-PGF2Alpha | -954 | 14 | Bovine | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 350 | 10 | 3 | 3 | 4.1 | CCCCCC(C=CC1C(CC2C1CC(=CCCCC(=O)O)C2)O)O | None | ||
None | 214280 | 0 | 3H-PGF2Alpha | -5248 | 4 | Bovine | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 587 | 15 | 3 | 8 | 4.7 | C1C(C(C(C1=O)CCC=CCCC(=O)OC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3)OCC(COC4=CC=CC=C4)O)O | None | ||
None | 214296 | 0 | 3H-PGF2Alpha | -1 | 2 | Bovine | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 400 | 9 | 3 | 4 | 3.4 | CC1CCCCC1C(C=CC2C(CC(C2CC=CCOCC(=O)O)Cl)O)O | None | ||
None | 214299 | 0 | 3H-PGF2Alpha | 1 | 2 | Bovine | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 150 | 1 | 0 | 4 | 1.3 | C1N(CSCS1)N=O | None | ||
132748 | 214665 | 0 | 3H-PGF2Alpha | -7 | 6 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 458 | 3 | 2 | 4 | 4.6 | C1C2=CC=CC=C2OC3=C(N1C(=O)NNC(=O)CCC4=CC=NC=C4)C=C(C=C3)Cl.Cl | None | ||
None | 214667 | 0 | 3H-PGF2Alpha | -10 | 6 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 477 | 11 | 1 | 5 | 5.1 | C1CC(=O)CC1CCC(=CCC(C(=O)O)N2CCOCC2)OCC3=CC=C(C=C3)C4=CC=CC=C4 | None | ||
1883 | 3033 | 71 | 3H-PGF2Alpha | -57 | 24 | Human | 6.9 | pKi | = | 6.9 | 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-PGF2Alpha | -57 | 24 | Human | 6.9 | pKi | = | 6.9 | 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-PGF2Alpha | -57 | 24 | Human | 6.9 | pKi | = | 6.9 | 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-PGF2Alpha | -57 | 24 | Human | 6.9 | pKi | = | 6.9 | 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-PGF2Alpha | -57 | 24 | Human | 6.9 | pKi | = | 6.9 | 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-PGF2Alpha | -57 | 24 | Human | 6.9 | pKi | = | 6.9 | 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 | ||
1884 | 3034 | 46 | 3H-PGF2Alpha | -14 | 22 | Bovine | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 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 | 3H-PGF2Alpha | -14 | 22 | Bovine | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 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 | 3H-PGF2Alpha | -14 | 22 | Bovine | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 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 | 3H-PGF2Alpha | -14 | 22 | Bovine | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 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 | 3H-PGF2Alpha | -14 | 22 | Bovine | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 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 | ||
133126726 | 214274 | 0 | 3H-PGF2Alpha | -114 | 14 | Mouse | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 350 | 10 | 3 | 3 | 4.1 | CCCCCC(C=CC1C(CC2C1CC(=CCCCC(=O)O)C2)O)O | None | ||
24868263 | 214274 | 0 | 3H-PGF2Alpha | -114 | 14 | Mouse | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 350 | 10 | 3 | 3 | 4.1 | CCCCCC(C=CC1C(CC2C1CC(=CCCCC(=O)O)C2)O)O | None | ||
1913 | 2429 | 0 | 3H-PGF2Alpha | -870 | 15 | Mouse | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 374 | 12 | 2 | 4 | 4.0 | OC(=O)CCCCCC[C@@H]1[C@@H](/C=C/[C@H](COc2ccccc2)O)CCC1=O | None | ||
5311223 | 2429 | 0 | 3H-PGF2Alpha | -870 | 15 | Mouse | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 374 | 12 | 2 | 4 | 4.0 | OC(=O)CCCCCC[C@@H]1[C@@H](/C=C/[C@H](COc2ccccc2)O)CCC1=O | None | ||
1917 | 914 | 0 | 3H-PGF2Alpha | -9 | 9 | Human | 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-PGF2Alpha | -9 | 9 | Human | 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-PGF2Alpha | -9 | 9 | Human | 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-PGF2Alpha | -9 | 9 | Human | 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 | ||
None | 214666 | 0 | 3H-PGF2Alpha | -5495 | 6 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 384 | 9 | 3 | 3 | 4.3 | C1CCC(CC1)C(C=CC2C(CC(C2CC=CCCCC(=O)O)Cl)O)O | None | ||
119304 | 741 | 0 | 3H-PGF2Alpha | -2398 | 9 | Mouse | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 368 | 11 | 3 | 4 | 2.7 | OC(=O)CCCCCCC1C(=O)NC(=O)N1CCC(C1CCCCC1)O | None | ||
1878 | 741 | 0 | 3H-PGF2Alpha | -2398 | 9 | Mouse | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 368 | 11 | 3 | 4 | 2.7 | OC(=O)CCCCCCC1C(=O)NC(=O)N1CCC(C1CCCCC1)O | None | ||
40481312 | 741 | 0 | 3H-PGF2Alpha | -2398 | 9 | Mouse | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 368 | 11 | 3 | 4 | 2.7 | OC(=O)CCCCCCC1C(=O)NC(=O)N1CCC(C1CCCCC1)O | None | ||
CHEMBL575504 | 741 | 0 | 3H-PGF2Alpha | -2398 | 9 | Mouse | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 368 | 11 | 3 | 4 | 2.7 | OC(=O)CCCCCCC1C(=O)NC(=O)N1CCC(C1CCCCC1)O | None | ||
134689669 | 214279 | 0 | 3H-PGF2Alpha | -19 | 12 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 465 | 12 | 3 | 7 | 1.7 | CS(=O)(=O)NC(=O)CCCC=CCC1C(C(CC1=O)O)C=CC(COC2=CC=CC=C2)O | None | ||
1940 | 1633 | 38 | 3H-PGF2Alpha | 1 | 10 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 458 | 11 | 4 | 5 | 3.6 | OC(=O)CCC/C=C\C[C@H]1[C@@H](O)C[C@H]([C@@H]1/C=C/[C@H](COc1cccc(c1)C(F)(F)F)O)O | None | ||
3417 | 1633 | 38 | 3H-PGF2Alpha | 1 | 10 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 458 | 11 | 4 | 5 | 3.6 | OC(=O)CCC/C=C\C[C@H]1[C@@H](O)C[C@H]([C@@H]1/C=C/[C@H](COc1cccc(c1)C(F)(F)F)O)O | None | ||
5311100 | 1633 | 38 | 3H-PGF2Alpha | 1 | 10 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 458 | 11 | 4 | 5 | 3.6 | OC(=O)CCC/C=C\C[C@H]1[C@@H](O)C[C@H]([C@@H]1/C=C/[C@H](COc1cccc(c1)C(F)(F)F)O)O | None | ||
CHEMBL1201379 | 1633 | 38 | 3H-PGF2Alpha | 1 | 10 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 458 | 11 | 4 | 5 | 3.6 | OC(=O)CCC/C=C\C[C@H]1[C@@H](O)C[C@H]([C@@H]1/C=C/[C@H](COc1cccc(c1)C(F)(F)F)O)O | None | ||
DB11519 | 1633 | 38 | 3H-PGF2Alpha | 1 | 10 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 458 | 11 | 4 | 5 | 3.6 | OC(=O)CCC/C=C\C[C@H]1[C@@H](O)C[C@H]([C@@H]1/C=C/[C@H](COc1cccc(c1)C(F)(F)F)O)O | None | ||
1551 | 2254 | 0 | 3H-PGF2Alpha | -6 | 7 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 432 | 13 | 3 | 5 | 4.2 | O[C@@H](CCc1ccccc1)CC[C@H]1[C@H](O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)OC(C)C)O | None | ||
1961 | 2254 | 0 | 3H-PGF2Alpha | -6 | 7 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 432 | 13 | 3 | 5 | 4.2 | O[C@@H](CCc1ccccc1)CC[C@H]1[C@H](O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)OC(C)C)O | None | ||
5311221 | 2254 | 0 | 3H-PGF2Alpha | -6 | 7 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 432 | 13 | 3 | 5 | 4.2 | O[C@@H](CCc1ccccc1)CC[C@H]1[C@H](O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)OC(C)C)O | None | ||
CHEMBL1051 | 2254 | 0 | 3H-PGF2Alpha | -6 | 7 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 432 | 13 | 3 | 5 | 4.2 | O[C@@H](CCc1ccccc1)CC[C@H]1[C@H](O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)OC(C)C)O | None | ||
DB00654 | 2254 | 0 | 3H-PGF2Alpha | -6 | 7 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 432 | 13 | 3 | 5 | 4.2 | O[C@@H](CCc1ccccc1)CC[C@H]1[C@H](O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)OC(C)C)O | None | ||
1888 | 3837 | 26 | 3H-PGF2Alpha | -9 | 17 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 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 | None | ||
1974 | 3837 | 26 | 3H-PGF2Alpha | -9 | 17 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 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 | None | ||
5311493 | 3837 | 26 | 3H-PGF2Alpha | -9 | 17 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 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 | None | ||
CHEMBL521784 | 3837 | 26 | 3H-PGF2Alpha | -9 | 17 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 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 | None | ||
1881 | 3030 | 0 | 3H-PGF2Alpha | -1148 | 21 | Bovine | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 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 | None | ||
1891 | 3030 | 0 | 3H-PGF2Alpha | -1148 | 21 | Bovine | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 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 | None | ||
448457 | 3030 | 0 | 3H-PGF2Alpha | -1148 | 21 | Bovine | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 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 | None | ||
CHEMBL1235252 | 3030 | 0 | 3H-PGF2Alpha | -1148 | 21 | Bovine | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 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 | None | ||
DB02056 | 3030 | 0 | 3H-PGF2Alpha | -1148 | 21 | Bovine | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 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 | None | ||
134689669 | 214279 | 0 | 3H-PGF2Alpha | -1380 | 12 | Bovine | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 465 | 12 | 3 | 7 | 1.7 | CS(=O)(=O)NC(=O)CCCC=CCC1C(C(CC1=O)O)C=CC(COC2=CC=CC=C2)O | None | ||
1884 | 3034 | 46 | 3H-PGF2Alpha | -4 | 22 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 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 | 3H-PGF2Alpha | -4 | 22 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 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 | 3H-PGF2Alpha | -4 | 22 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 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 | 3H-PGF2Alpha | -4 | 22 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 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 | 3H-PGF2Alpha | -4 | 22 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 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 | ||
1884 | 3034 | 46 | 3H-PGF2Alpha | 4 | 22 | Mouse | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 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 | 3H-PGF2Alpha | 4 | 22 | Mouse | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 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 | 3H-PGF2Alpha | 4 | 22 | Mouse | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 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 | 3H-PGF2Alpha | 4 | 22 | Mouse | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 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 | 3H-PGF2Alpha | 4 | 22 | Mouse | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 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 | ||
1940 | 1633 | 38 | 3H-PGF2Alpha | -1 | 10 | Mouse | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 458 | 11 | 4 | 5 | 3.6 | OC(=O)CCC/C=C\C[C@H]1[C@@H](O)C[C@H]([C@@H]1/C=C/[C@H](COc1cccc(c1)C(F)(F)F)O)O | None | ||
3417 | 1633 | 38 | 3H-PGF2Alpha | -1 | 10 | Mouse | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 458 | 11 | 4 | 5 | 3.6 | OC(=O)CCC/C=C\C[C@H]1[C@@H](O)C[C@H]([C@@H]1/C=C/[C@H](COc1cccc(c1)C(F)(F)F)O)O | None | ||
5311100 | 1633 | 38 | 3H-PGF2Alpha | -1 | 10 | Mouse | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 458 | 11 | 4 | 5 | 3.6 | OC(=O)CCC/C=C\C[C@H]1[C@@H](O)C[C@H]([C@@H]1/C=C/[C@H](COc1cccc(c1)C(F)(F)F)O)O | None | ||
CHEMBL1201379 | 1633 | 38 | 3H-PGF2Alpha | -1 | 10 | Mouse | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 458 | 11 | 4 | 5 | 3.6 | OC(=O)CCC/C=C\C[C@H]1[C@@H](O)C[C@H]([C@@H]1/C=C/[C@H](COc1cccc(c1)C(F)(F)F)O)O | None | ||
DB11519 | 1633 | 38 | 3H-PGF2Alpha | -1 | 10 | Mouse | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 458 | 11 | 4 | 5 | 3.6 | OC(=O)CCC/C=C\C[C@H]1[C@@H](O)C[C@H]([C@@H]1/C=C/[C@H](COc1cccc(c1)C(F)(F)F)O)O | None | ||
67861203 | 214294 | 0 | 3H-PGF2Alpha | -66 | 8 | Bovine | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 424 | 11 | 4 | 5 | 3.2 | C1C(C(C(C1O)C=CC(COC2=CC(=CC=C2)Cl)O)CC=CCCCC(=O)O)O | None | ||
1883 | 3033 | 71 | 3H-PGF2Alpha | -3388 | 24 | Bovine | 5.5 | pKi | = | 5.5 | 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-PGF2Alpha | -3388 | 24 | Bovine | 5.5 | pKi | = | 5.5 | 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-PGF2Alpha | -3388 | 24 | Bovine | 5.5 | pKi | = | 5.5 | 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-PGF2Alpha | -3388 | 24 | Bovine | 5.5 | pKi | = | 5.5 | 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-PGF2Alpha | -3388 | 24 | Bovine | 5.5 | pKi | = | 5.5 | 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-PGF2Alpha | -3388 | 24 | Bovine | 5.5 | pKi | = | 5.5 | 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 | ||
None | 214300 | 0 | 3H-PGF2Alpha | 2 | 2 | Bovine | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 432 | 13 | 3 | 5 | 4.2 | CC(C)OC(=O)CCCC=CCC1C(CC(C1CCC(CCC2=CC=CC=C2)O)O)O | None | ||
133126726 | 214274 | 0 | 3H-PGF2Alpha | -40 | 14 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 350 | 10 | 3 | 3 | 4.1 | CCCCCC(C=CC1C(CC2C1CC(=CCCCC(=O)O)C2)O)O | None | ||
24868263 | 214274 | 0 | 3H-PGF2Alpha | -40 | 14 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 350 | 10 | 3 | 3 | 4.1 | CCCCCC(C=CC1C(CC2C1CC(=CCCCC(=O)O)C2)O)O | None | ||
1881 | 3030 | 0 | 3H-PGF2Alpha | -22 | 21 | Mouse | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 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 | None | ||
1891 | 3030 | 0 | 3H-PGF2Alpha | -22 | 21 | Mouse | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 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 | None | ||
448457 | 3030 | 0 | 3H-PGF2Alpha | -22 | 21 | Mouse | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 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 | None | ||
CHEMBL1235252 | 3030 | 0 | 3H-PGF2Alpha | -22 | 21 | Mouse | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 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 | None | ||
DB02056 | 3030 | 0 | 3H-PGF2Alpha | -22 | 21 | Mouse | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 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 | None | ||
1884 | 3034 | 46 | 3H-PGF2Alpha | -4 | 22 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 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 | 3H-PGF2Alpha | -4 | 22 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 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 | 3H-PGF2Alpha | -4 | 22 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 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 | 3H-PGF2Alpha | -4 | 22 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 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 | 3H-PGF2Alpha | -4 | 22 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 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 | ||
3356 | 2248 | 68 | None | -398 | 8 | Human | 8.3 | pKi | = | 8.3 | 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 | -398 | 8 | Human | 8.3 | pKi | = | 8.3 | 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 | -398 | 8 | Human | 8.3 | pKi | = | 8.3 | 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 | -398 | 8 | Human | 8.3 | pKi | = | 8.3 | 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 | -398 | 8 | Human | 8.3 | pKi | = | 8.3 | 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 | ||
1958 | 651 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 415 | 12 | 4 | 4 | 3.1 | CCNC(=O)CCC/C=C\C[C@H]1[C@@H](O)C[C@H]([C@@H]1/C=C/[C@H](CCc1ccccc1)O)O | None | ||
371 | 651 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 415 | 12 | 4 | 4 | 3.1 | CCNC(=O)CCC/C=C\C[C@H]1[C@@H](O)C[C@H]([C@@H]1/C=C/[C@H](CCc1ccccc1)O)O | None | ||
5311027 | 651 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 415 | 12 | 4 | 4 | 3.1 | CCNC(=O)CCC/C=C\C[C@H]1[C@@H](O)C[C@H]([C@@H]1/C=C/[C@H](CCc1ccccc1)O)O | None | ||
CHEMBL1200963 | 651 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 415 | 12 | 4 | 4 | 3.1 | CCNC(=O)CCC/C=C\C[C@H]1[C@@H](O)C[C@H]([C@@H]1/C=C/[C@H](CCc1ccccc1)O)O | None | ||
DB00905 | 651 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 415 | 12 | 4 | 4 | 3.1 | CCNC(=O)CCC/C=C\C[C@H]1[C@@H](O)C[C@H]([C@@H]1/C=C/[C@H](CCc1ccccc1)O)O | None | ||
1913 | 2429 | 0 | 3H-PGF2Alpha | -3630 | 15 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 374 | 12 | 2 | 4 | 4.0 | OC(=O)CCCCCC[C@@H]1[C@@H](/C=C/[C@H](COc2ccccc2)O)CCC1=O | None | ||
5311223 | 2429 | 0 | 3H-PGF2Alpha | -3630 | 15 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 374 | 12 | 2 | 4 | 4.0 | OC(=O)CCCCCC[C@@H]1[C@@H](/C=C/[C@H](COc2ccccc2)O)CCC1=O | None | ||
1551 | 2254 | 0 | 3H-PGF2Alpha | -6 | 7 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 432 | 13 | 3 | 5 | 4.2 | O[C@@H](CCc1ccccc1)CC[C@H]1[C@H](O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)OC(C)C)O | None | ||
1961 | 2254 | 0 | 3H-PGF2Alpha | -6 | 7 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 432 | 13 | 3 | 5 | 4.2 | O[C@@H](CCc1ccccc1)CC[C@H]1[C@H](O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)OC(C)C)O | None | ||
5311221 | 2254 | 0 | 3H-PGF2Alpha | -6 | 7 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 432 | 13 | 3 | 5 | 4.2 | O[C@@H](CCc1ccccc1)CC[C@H]1[C@H](O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)OC(C)C)O | None | ||
CHEMBL1051 | 2254 | 0 | 3H-PGF2Alpha | -6 | 7 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 432 | 13 | 3 | 5 | 4.2 | O[C@@H](CCc1ccccc1)CC[C@H]1[C@H](O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)OC(C)C)O | None | ||
DB00654 | 2254 | 0 | 3H-PGF2Alpha | -6 | 7 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 432 | 13 | 3 | 5 | 4.2 | O[C@@H](CCc1ccccc1)CC[C@H]1[C@H](O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)OC(C)C)O | None | ||
134689669 | 214279 | 0 | 3H-PGF2Alpha | -316 | 12 | Mouse | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 465 | 12 | 3 | 7 | 1.7 | CS(=O)(=O)NC(=O)CCCC=CCC1C(C(CC1=O)O)C=CC(COC2=CC=CC=C2)O | None | ||
None | 214297 | 0 | 3H-PGF2Alpha | 1 | 2 | Bovine | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 424 | 16 | 2 | 5 | 5.1 | CCCCCCCC(=O)CCC1C(CC(C1CC=CCCCC(=O)OC(C)C)O)O | None | ||
138107701 | 186881 | 39 | None | -6 | 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 | -6 | 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 | -6 | 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 | ||
1551 | 2254 | 0 | None | -6 | 7 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 432 | 13 | 3 | 5 | 4.2 | O[C@@H](CCc1ccccc1)CC[C@H]1[C@H](O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)OC(C)C)O | None | ||
1961 | 2254 | 0 | None | -6 | 7 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 432 | 13 | 3 | 5 | 4.2 | O[C@@H](CCc1ccccc1)CC[C@H]1[C@H](O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)OC(C)C)O | None | ||
5311221 | 2254 | 0 | None | -6 | 7 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 432 | 13 | 3 | 5 | 4.2 | O[C@@H](CCc1ccccc1)CC[C@H]1[C@H](O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)OC(C)C)O | None | ||
CHEMBL1051 | 2254 | 0 | None | -6 | 7 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 432 | 13 | 3 | 5 | 4.2 | O[C@@H](CCc1ccccc1)CC[C@H]1[C@H](O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)OC(C)C)O | None | ||
DB00654 | 2254 | 0 | None | -6 | 7 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 432 | 13 | 3 | 5 | 4.2 | O[C@@H](CCc1ccccc1)CC[C@H]1[C@H](O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)OC(C)C)O | None | ||
134689669 | 214279 | 0 | None | -19 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 465 | 12 | 3 | 7 | 1.7 | CS(=O)(=O)NC(=O)CCCC=CCC1C(C(CC1=O)O)C=CC(COC2=CC=CC=C2)O | None | ||
1881 | 3030 | 0 | 3H-PGF2Alpha | -5 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 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 | None | ||
1891 | 3030 | 0 | 3H-PGF2Alpha | -5 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 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 | None | ||
448457 | 3030 | 0 | 3H-PGF2Alpha | -5 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 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 | None | ||
CHEMBL1235252 | 3030 | 0 | 3H-PGF2Alpha | -5 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 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 | None | ||
DB02056 | 3030 | 0 | 3H-PGF2Alpha | -5 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 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 | None | ||
1884 | 3034 | 46 | None | -14 | 22 | Bovine | 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 | -14 | 22 | Bovine | 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 | -14 | 22 | Bovine | 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 | -14 | 22 | Bovine | 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 | -14 | 22 | Bovine | 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 | ||
1883 | 3033 | 71 | None | -57 | 24 | Human | 8.2 | pKi | = | 8.2 | 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 | -57 | 24 | Human | 8.2 | pKi | = | 8.2 | 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 | -57 | 24 | Human | 8.2 | pKi | = | 8.2 | 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 | -57 | 24 | Human | 8.2 | pKi | = | 8.2 | 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 | -57 | 24 | Human | 8.2 | pKi | = | 8.2 | 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 | -57 | 24 | Human | 8.2 | pKi | = | 8.2 | 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 | ||
89077401 | 214273 | 0 | 3H-PGF2Alpha | -56 | 12 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 360 | 8 | 3 | 3 | 3.5 | CC#CCC(C)C(C=CC1C(CC2C1CC(=CCCCC(=O)O)C2)O)O | None | ||
1883 | 3033 | 71 | None | -41 | 24 | Mouse | 8.2 | pKi | = | 8.2 | 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 | -41 | 24 | Mouse | 8.2 | pKi | = | 8.2 | 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 | -41 | 24 | Mouse | 8.2 | pKi | = | 8.2 | 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 | -41 | 24 | Mouse | 8.2 | pKi | = | 8.2 | 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 | -41 | 24 | Mouse | 8.2 | pKi | = | 8.2 | 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 | -41 | 24 | Mouse | 8.2 | pKi | = | 8.2 | 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 | ||
11156438 | 2252 | 0 | None | -1 | 2 | Bovine | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 507 | 18 | 3 | 8 | 3.8 | O[C@@H](CCc1ccccc1)CC[C@H]1[C@H](O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)OCCCCO[N+](=O)[O-])O | None | ||
5261 | 2252 | 0 | None | -1 | 2 | Bovine | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 507 | 18 | 3 | 8 | 3.8 | O[C@@H](CCc1ccccc1)CC[C@H]1[C@H](O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)OCCCCO[N+](=O)[O-])O | None | ||
9635 | 2252 | 0 | None | -1 | 2 | Bovine | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 507 | 18 | 3 | 8 | 3.8 | O[C@@H](CCc1ccccc1)CC[C@H]1[C@H](O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)OCCCCO[N+](=O)[O-])O | None | ||
CHEMBL2364612 | 2252 | 0 | None | -1 | 2 | Bovine | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 507 | 18 | 3 | 8 | 3.8 | O[C@@H](CCc1ccccc1)CC[C@H]1[C@H](O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)OCCCCO[N+](=O)[O-])O | None | ||
DB11660 | 2252 | 0 | None | -1 | 2 | Bovine | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 507 | 18 | 3 | 8 | 3.8 | O[C@@H](CCc1ccccc1)CC[C@H]1[C@H](O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)OCCCCO[N+](=O)[O-])O | None | ||
1551 | 2254 | 0 | None | 6 | 7 | Bovine | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 432 | 13 | 3 | 5 | 4.2 | O[C@@H](CCc1ccccc1)CC[C@H]1[C@H](O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)OC(C)C)O | None | ||
1961 | 2254 | 0 | None | 6 | 7 | Bovine | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 432 | 13 | 3 | 5 | 4.2 | O[C@@H](CCc1ccccc1)CC[C@H]1[C@H](O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)OC(C)C)O | None | ||
5311221 | 2254 | 0 | None | 6 | 7 | Bovine | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 432 | 13 | 3 | 5 | 4.2 | O[C@@H](CCc1ccccc1)CC[C@H]1[C@H](O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)OC(C)C)O | None | ||
CHEMBL1051 | 2254 | 0 | None | 6 | 7 | Bovine | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 432 | 13 | 3 | 5 | 4.2 | O[C@@H](CCc1ccccc1)CC[C@H]1[C@H](O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)OC(C)C)O | None | ||
DB00654 | 2254 | 0 | None | 6 | 7 | Bovine | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 432 | 13 | 3 | 5 | 4.2 | O[C@@H](CCc1ccccc1)CC[C@H]1[C@H](O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)OC(C)C)O | None | ||
91798918 | 214292 | 0 | None | -3 | 10 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 400 | 10 | 2 | 6 | 2.6 | COC(=O)CCC=C=CCC1C(C(CC1=O)O)C=CC(COC2=CC=CC=C2)O | None | ||
5282226 | 216006 | 0 | None | -1 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 500 | 12 | 3 | 6 | 4.4 | CC(C)OC(=O)CCC\C=C/C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1\C=C\[C@@H](O)COC1=CC(=CC=C1)C(F)(F)F | None | ||
91798918 | 214292 | 0 | 3H-PGF2Alpha | -3 | 10 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 400 | 10 | 2 | 6 | 2.6 | COC(=O)CCC=C=CCC1C(C(CC1=O)O)C=CC(COC2=CC=CC=C2)O | None | ||
1888 | 3837 | 26 | 3H-PGF2Alpha | -354 | 17 | Bovine | 5.1 | pKi | = | 5.1 | Binding | PDSP KiDatabase | 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 | None | ||
1974 | 3837 | 26 | 3H-PGF2Alpha | -354 | 17 | Bovine | 5.1 | pKi | = | 5.1 | Binding | PDSP KiDatabase | 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 | None | ||
5311493 | 3837 | 26 | 3H-PGF2Alpha | -354 | 17 | Bovine | 5.1 | pKi | = | 5.1 | Binding | PDSP KiDatabase | 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 | None | ||
CHEMBL521784 | 3837 | 26 | 3H-PGF2Alpha | -354 | 17 | Bovine | 5.1 | pKi | = | 5.1 | Binding | PDSP KiDatabase | 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 | None | ||
1817 | 2506 | 60 | 3H-PGF2Alpha | -20 | 12 | Human | 5.0 | pKi | = | 5.0 | 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-PGF2Alpha | -20 | 12 | Human | 5.0 | pKi | = | 5.0 | 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-PGF2Alpha | -20 | 12 | Human | 5.0 | pKi | = | 5.0 | 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-PGF2Alpha | -20 | 12 | Human | 5.0 | pKi | = | 5.0 | 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-PGF2Alpha | -20 | 12 | Human | 5.0 | pKi | = | 5.0 | 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 | ||
None | 214272 | 0 | 3H-PGF2Alpha | -4 | 5 | Mouse | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 366 | 12 | 2 | 3 | 5.2 | CCCCCC(C=CC1CC2CC(C1CC=CCCCC(=O)O)S2)O | None | ||
None | 214295 | 0 | 3H-PGF2Alpha | 91 | 2 | Bovine | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 390 | 12 | 4 | 4 | 3.3 | C1C(C(C(C1O)CC=CCCCC(=O)O)CCC(CCC2=CC=CC=C2)O)O | None | ||
1551 | 2254 | 0 | None | -6 | 7 | Human | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 432 | 13 | 3 | 5 | 4.2 | O[C@@H](CCc1ccccc1)CC[C@H]1[C@H](O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)OC(C)C)O | 10634944 | ||
1961 | 2254 | 0 | None | -6 | 7 | Human | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 432 | 13 | 3 | 5 | 4.2 | O[C@@H](CCc1ccccc1)CC[C@H]1[C@H](O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)OC(C)C)O | 10634944 | ||
5311221 | 2254 | 0 | None | -6 | 7 | Human | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 432 | 13 | 3 | 5 | 4.2 | O[C@@H](CCc1ccccc1)CC[C@H]1[C@H](O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)OC(C)C)O | 10634944 | ||
CHEMBL1051 | 2254 | 0 | None | -6 | 7 | Human | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 432 | 13 | 3 | 5 | 4.2 | O[C@@H](CCc1ccccc1)CC[C@H]1[C@H](O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)OC(C)C)O | 10634944 | ||
DB00654 | 2254 | 0 | None | -6 | 7 | Human | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 432 | 13 | 3 | 5 | 4.2 | O[C@@H](CCc1ccccc1)CC[C@H]1[C@H](O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)OC(C)C)O | 10634944 | ||
10152528 | 483 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 515 | 7 | 1 | 5 | 4.7 | O=C([C@@H]1SCCN1S(=O)(=O)c1ccc(cc1)c1ccccc1)N[C@@H](c1ccccn1)c1ccccc1 | 17618756 | ||
3424 | 483 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 515 | 7 | 1 | 5 | 4.7 | O=C([C@@H]1SCCN1S(=O)(=O)c1ccc(cc1)c1ccccc1)N[C@@H](c1ccccn1)c1ccccc1 | 17618756 | ||
50902259 | 2894 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 482 | 10 | 2 | 6 | 4.2 | CC(OC(=O)CCC[C@H]1CC[C@H]2[C@@H](OC1)C[C@H]([C@@H]2/C=C/[C@H](COc1cc(F)ccc1F)O)O)C | 25788650 | ||
9875 | 2894 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 482 | 10 | 2 | 6 | 4.2 | CC(OC(=O)CCC[C@H]1CC[C@H]2[C@@H](OC1)C[C@H]([C@@H]2/C=C/[C@H](COc1cc(F)ccc1F)O)O)C | 25788650 | ||
CHEMBL4297633 | 2894 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 482 | 10 | 2 | 6 | 4.2 | CC(OC(=O)CCC[C@H]1CC[C@H]2[C@@H](OC1)C[C@H]([C@@H]2/C=C/[C@H](COc1cc(F)ccc1F)O)O)C | 25788650 | ||
DB12043 | 2894 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 482 | 10 | 2 | 6 | 4.2 | CC(OC(=O)CCC[C@H]1CC[C@H]2[C@@H](OC1)C[C@H]([C@@H]2/C=C/[C@H](COc1cc(F)ccc1F)O)O)C | 25788650 | ||
1940 | 1633 | 38 | None | 1 | 10 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | 458 | 11 | 4 | 5 | 3.6 | OC(=O)CCC/C=C\C[C@H]1[C@@H](O)C[C@H]([C@@H]1/C=C/[C@H](COc1cccc(c1)C(F)(F)F)O)O | 10634944 | ||
3417 | 1633 | 38 | None | 1 | 10 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | 458 | 11 | 4 | 5 | 3.6 | OC(=O)CCC/C=C\C[C@H]1[C@@H](O)C[C@H]([C@@H]1/C=C/[C@H](COc1cccc(c1)C(F)(F)F)O)O | 10634944 | ||
5311100 | 1633 | 38 | None | 1 | 10 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | 458 | 11 | 4 | 5 | 3.6 | OC(=O)CCC/C=C\C[C@H]1[C@@H](O)C[C@H]([C@@H]1/C=C/[C@H](COc1cccc(c1)C(F)(F)F)O)O | 10634944 | ||
CHEMBL1201379 | 1633 | 38 | None | 1 | 10 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | 458 | 11 | 4 | 5 | 3.6 | OC(=O)CCC/C=C\C[C@H]1[C@@H](O)C[C@H]([C@@H]1/C=C/[C@H](COc1cccc(c1)C(F)(F)F)O)O | 10634944 | ||
DB11519 | 1633 | 38 | None | 1 | 10 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | 458 | 11 | 4 | 5 | 3.6 | OC(=O)CCC/C=C\C[C@H]1[C@@H](O)C[C@H]([C@@H]1/C=C/[C@H](COc1cccc(c1)C(F)(F)F)O)O | 10634944 | ||
1960 | 2253 | 38 | None | 38 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | 390 | 12 | 4 | 4 | 3.3 | O[C@@H](CCc1ccccc1)CC[C@H]1[C@H](O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O | 10634944 | ||
6441636 | 2253 | 38 | None | 38 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | 390 | 12 | 4 | 4 | 3.3 | O[C@@H](CCc1ccccc1)CC[C@H]1[C@H](O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O | 10634944 | ||
CHEMBL1050 | 2253 | 38 | None | 38 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | 390 | 12 | 4 | 4 | 3.3 | O[C@@H](CCc1ccccc1)CC[C@H]1[C@H](O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O | 10634944 | ||
1817 | 2506 | 60 | None | -20 | 12 | Human | 8.3 | pKi | None | 8.3 | 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 | -20 | 12 | Human | 8.3 | pKi | None | 8.3 | 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 | -20 | 12 | Human | 8.3 | pKi | None | 8.3 | 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 | -20 | 12 | Human | 8.3 | pKi | None | 8.3 | 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 | -20 | 12 | Human | 8.3 | pKi | None | 8.3 | 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 | ||
1917 | 914 | 0 | None | -9 | 9 | Human | 8.2 | pKi | None | 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 | -9 | 9 | Human | 8.2 | pKi | None | 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 | -9 | 9 | Human | 8.2 | pKi | None | 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 | -9 | 9 | Human | 8.2 | pKi | None | 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 | ||
1907 | 2232 | 17 | None | -12589 | 2 | Human | 5.0 | pKi | None | 5 | Binding | Guide to Pharmacology | 375 | 4 | 1 | 3 | 5.5 | OC(=O)C[C@@H]1CCn2c1c(Sc1ccc(cc1)Cl)c1c2cc(cc1)F | 15755909 | ||
44403763 | 2232 | 17 | None | -12589 | 2 | Human | 5.0 | pKi | None | 5 | Binding | Guide to Pharmacology | 375 | 4 | 1 | 3 | 5.5 | OC(=O)C[C@@H]1CCn2c1c(Sc1ccc(cc1)Cl)c1c2cc(cc1)F | 15755909 | ||
CHEMBL370606 | 2232 | 17 | None | -12589 | 2 | Human | 5.0 | pKi | None | 5 | Binding | Guide to Pharmacology | 375 | 4 | 1 | 3 | 5.5 | OC(=O)C[C@@H]1CCn2c1c(Sc1ccc(cc1)Cl)c1c2cc(cc1)F | 15755909 | ||
1893 | 783 | 0 | None | -89 | 13 | Mouse | 5.9 | pKi | None | 5.9 | 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 | -89 | 13 | Mouse | 5.9 | pKi | None | 5.9 | 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 | -89 | 13 | Mouse | 5.9 | pKi | None | 5.9 | 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 | ||
1888 | 3837 | 26 | None | -39 | 17 | Mouse | 6.0 | pKi | None | 6 | 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 | 9313928 | ||
1974 | 3837 | 26 | None | -39 | 17 | Mouse | 6.0 | pKi | None | 6 | 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 | 9313928 | ||
5311493 | 3837 | 26 | None | -39 | 17 | Mouse | 6.0 | pKi | None | 6 | 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 | 9313928 | ||
CHEMBL521784 | 3837 | 26 | None | -39 | 17 | Mouse | 6.0 | pKi | None | 6 | 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 | 9313928 | ||
1895 | 1976 | 0 | None | -63 | 16 | Human | 6.2 | pKi | None | 6.2 | 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 | -63 | 16 | Human | 6.2 | pKi | None | 6.2 | 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 | -63 | 16 | Human | 6.2 | pKi | None | 6.2 | 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 | -63 | 16 | Human | 6.2 | pKi | None | 6.2 | 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 | ||
1913 | 2429 | 0 | None | -3630 | 15 | Human | 6.3 | pKi | None | 6.3 | 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 | -3630 | 15 | Human | 6.3 | pKi | None | 6.3 | 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 | ||
1893 | 783 | 0 | None | -25 | 13 | Human | 6.5 | pKi | None | 6.5 | 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 | -25 | 13 | Human | 6.5 | pKi | None | 6.5 | 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 | -25 | 13 | Human | 6.5 | pKi | None | 6.5 | 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 | ||
1888 | 3837 | 26 | None | -9 | 17 | Human | 6.6 | pKi | None | 6.6 | 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 | -9 | 17 | Human | 6.6 | pKi | None | 6.6 | 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 | -9 | 17 | Human | 6.6 | pKi | None | 6.6 | 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 | -9 | 17 | Human | 6.6 | pKi | None | 6.6 | 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 | ||
1883 | 3033 | 71 | None | -57 | 24 | Human | 6.7 | pKi | None | 6.7 | 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 | 10634944 | ||
1883 | 3033 | 71 | None | -57 | 24 | Human | 6.7 | pKi | None | 6.7 | 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 | 12519077 | ||
1916 | 3033 | 71 | None | -57 | 24 | Human | 6.7 | pKi | None | 6.7 | 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 | 10634944 | ||
1916 | 3033 | 71 | None | -57 | 24 | Human | 6.7 | pKi | None | 6.7 | 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 | 12519077 | ||
5280360 | 3033 | 71 | None | -57 | 24 | Human | 6.7 | pKi | None | 6.7 | 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 | 10634944 | ||
5280360 | 3033 | 71 | None | -57 | 24 | Human | 6.7 | pKi | None | 6.7 | 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 | 12519077 | ||
913 | 3033 | 71 | None | -57 | 24 | Human | 6.7 | pKi | None | 6.7 | 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 | 10634944 | ||
913 | 3033 | 71 | None | -57 | 24 | Human | 6.7 | pKi | None | 6.7 | 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 | 12519077 | ||
CHEMBL548 | 3033 | 71 | None | -57 | 24 | Human | 6.7 | pKi | None | 6.7 | 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 | 10634944 | ||
CHEMBL548 | 3033 | 71 | None | -57 | 24 | Human | 6.7 | pKi | None | 6.7 | 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 | 12519077 | ||
DB00917 | 3033 | 71 | None | -57 | 24 | Human | 6.7 | pKi | None | 6.7 | 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 | 10634944 | ||
DB00917 | 3033 | 71 | None | -57 | 24 | Human | 6.7 | pKi | None | 6.7 | 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 | 12519077 | ||
1919 | 3648 | 0 | None | -575 | 7 | Human | 6.7 | pKi | None | 6.7 | Binding | Guide to Pharmacology | 465 | 12 | 3 | 7 | 1.7 | O=C(NS(=O)(=O)C)CCC/C=C\C[C@H]1C(=O)C[C@H]([C@@H]1/C=C/[C@H](COc1ccccc1)O)O | 10634944 | ||
2538 | 3648 | 0 | None | -575 | 7 | Human | 6.7 | pKi | None | 6.7 | Binding | Guide to Pharmacology | 465 | 12 | 3 | 7 | 1.7 | O=C(NS(=O)(=O)C)CCC/C=C\C[C@H]1C(=O)C[C@H]([C@@H]1/C=C/[C@H](COc1ccccc1)O)O | 10634944 | ||
5312153 | 3648 | 0 | None | -575 | 7 | Human | 6.7 | pKi | None | 6.7 | Binding | Guide to Pharmacology | 465 | 12 | 3 | 7 | 1.7 | O=C(NS(=O)(=O)C)CCC/C=C\C[C@H]1C(=O)C[C@H]([C@@H]1/C=C/[C@H](COc1ccccc1)O)O | 10634944 | ||
CHEMBL1472830 | 3648 | 0 | None | -575 | 7 | Human | 6.7 | pKi | None | 6.7 | Binding | Guide to Pharmacology | 465 | 12 | 3 | 7 | 1.7 | O=C(NS(=O)(=O)C)CCC/C=C\C[C@H]1C(=O)C[C@H]([C@@H]1/C=C/[C@H](COc1ccccc1)O)O | 10634944 | ||
DB12708 | 3648 | 0 | None | -575 | 7 | Human | 6.7 | pKi | None | 6.7 | Binding | Guide to Pharmacology | 465 | 12 | 3 | 7 | 1.7 | O=C(NS(=O)(=O)C)CCC/C=C\C[C@H]1C(=O)C[C@H]([C@@H]1/C=C/[C@H](COc1ccccc1)O)O | 10634944 | ||
1913 | 2429 | 0 | None | -870 | 15 | Mouse | 6.9 | pKi | None | 6.9 | 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 | 9313928 | ||
5311223 | 2429 | 0 | None | -870 | 15 | Mouse | 6.9 | pKi | None | 6.9 | 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 | 9313928 | ||
1938 | 1938 | 14 | None | -199 | 4 | Mouse | 7.0 | pKi | None | 7 | Binding | Guide to Pharmacology | 512 | 11 | 2 | 4 | 4.6 | OC(=O)CCC/C=C\C[C@H]1[C@@H]2CC[C@H]([C@@H]1/C=C/[C@H](COc1ccc(cc1)I)O)O2 | 9313928 | ||
5311175 | 1938 | 14 | None | -199 | 4 | Mouse | 7.0 | pKi | None | 7 | Binding | Guide to Pharmacology | 512 | 11 | 2 | 4 | 4.6 | OC(=O)CCC/C=C\C[C@H]1[C@@H]2CC[C@H]([C@@H]1/C=C/[C@H](COc1ccc(cc1)I)O)O2 | 9313928 | ||
CHEMBL2113346 | 1938 | 14 | None | -199 | 4 | Mouse | 7.0 | pKi | None | 7 | Binding | Guide to Pharmacology | 512 | 11 | 2 | 4 | 4.6 | OC(=O)CCC/C=C\C[C@H]1[C@@H]2CC[C@H]([C@@H]1/C=C/[C@H](COc1ccc(cc1)I)O)O2 | 9313928 | ||
1883 | 3033 | 71 | None | -41 | 24 | Mouse | 7.0 | pKi | None | 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 | -41 | 24 | Mouse | 7.0 | pKi | None | 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 | -41 | 24 | Mouse | 7.0 | pKi | None | 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 | -41 | 24 | Mouse | 7.0 | pKi | None | 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 | -41 | 24 | Mouse | 7.0 | pKi | None | 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 | -41 | 24 | Mouse | 7.0 | pKi | None | 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 | ||
1918 | 1537 | 0 | None | -6 | 6 | Human | 7.1 | pKi | None | 7.1 | Binding | Guide to Pharmacology | 400 | 10 | 2 | 6 | 2.6 | COC(=O)CCC=C=CC[C@H]1C(=O)C[C@H]([C@@H]1/C=C/[C@H](COc1ccccc1)O)O | 10634944 | ||
5311225 | 1537 | 0 | None | -6 | 6 | Human | 7.1 | pKi | None | 7.1 | Binding | Guide to Pharmacology | 400 | 10 | 2 | 6 | 2.6 | COC(=O)CCC=C=CC[C@H]1C(=O)C[C@H]([C@@H]1/C=C/[C@H](COc1ccccc1)O)O | 10634944 | ||
CHEMBL2104194 | 1537 | 0 | None | -6 | 6 | Human | 7.1 | pKi | None | 7.1 | Binding | Guide to Pharmacology | 400 | 10 | 2 | 6 | 2.6 | COC(=O)CCC=C=CC[C@H]1C(=O)C[C@H]([C@@H]1/C=C/[C@H](COc1ccccc1)O)O | 10634944 | ||
1881 | 3030 | 0 | None | -22 | 21 | Mouse | 7.3 | pKi | None | 7.3 | 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 | 9313928 | ||
1891 | 3030 | 0 | None | -22 | 21 | Mouse | 7.3 | pKi | None | 7.3 | 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 | 9313928 | ||
448457 | 3030 | 0 | None | -22 | 21 | Mouse | 7.3 | pKi | None | 7.3 | 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 | 9313928 | ||
CHEMBL1235252 | 3030 | 0 | None | -22 | 21 | Mouse | 7.3 | pKi | None | 7.3 | 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 | 9313928 | ||
DB02056 | 3030 | 0 | None | -22 | 21 | Mouse | 7.3 | pKi | None | 7.3 | 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 | 9313928 | ||
1881 | 3030 | 0 | None | -5 | 21 | Human | 7.7 | pKi | None | 7.7 | 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 | 12519077 | ||
1891 | 3030 | 0 | None | -5 | 21 | Human | 7.7 | pKi | None | 7.7 | 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 | 12519077 | ||
448457 | 3030 | 0 | None | -5 | 21 | Human | 7.7 | pKi | None | 7.7 | 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 | 12519077 | ||
CHEMBL1235252 | 3030 | 0 | None | -5 | 21 | Human | 7.7 | pKi | None | 7.7 | 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 | 12519077 | ||
DB02056 | 3030 | 0 | None | -5 | 21 | Human | 7.7 | pKi | None | 7.7 | 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 | 12519077 | ||
1884 | 3034 | 46 | None | -4 | 22 | Human | 8.2 | pKi | None | 8.2 | 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 | -4 | 22 | Human | 8.2 | pKi | None | 8.2 | 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 | 12519077 | ||
1884 | 3034 | 46 | None | -4 | 22 | Human | 8.2 | pKi | None | 8.2 | 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 | 16604093 | ||
5280363 | 3034 | 46 | None | -4 | 22 | Human | 8.2 | pKi | None | 8.2 | 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 | -4 | 22 | Human | 8.2 | pKi | None | 8.2 | 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 | 12519077 | ||
5280363 | 3034 | 46 | None | -4 | 22 | Human | 8.2 | pKi | None | 8.2 | 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 | 16604093 | ||
912 | 3034 | 46 | None | -4 | 22 | Human | 8.2 | pKi | None | 8.2 | 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 | -4 | 22 | Human | 8.2 | pKi | None | 8.2 | 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 | 12519077 | ||
912 | 3034 | 46 | None | -4 | 22 | Human | 8.2 | pKi | None | 8.2 | 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 | 16604093 | ||
CHEMBL815 | 3034 | 46 | None | -4 | 22 | Human | 8.2 | pKi | None | 8.2 | 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 | -4 | 22 | Human | 8.2 | pKi | None | 8.2 | 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 | 12519077 | ||
CHEMBL815 | 3034 | 46 | None | -4 | 22 | Human | 8.2 | pKi | None | 8.2 | 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 | 16604093 | ||
DB12789 | 3034 | 46 | None | -4 | 22 | Human | 8.2 | pKi | None | 8.2 | 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 | -4 | 22 | Human | 8.2 | pKi | None | 8.2 | 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 | 12519077 | ||
DB12789 | 3034 | 46 | None | -4 | 22 | Human | 8.2 | pKi | None | 8.2 | 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 | 16604093 | ||
1940 | 1633 | 38 | None | -1 | 10 | Mouse | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | 458 | 11 | 4 | 5 | 3.6 | OC(=O)CCC/C=C\C[C@H]1[C@@H](O)C[C@H]([C@@H]1/C=C/[C@H](COc1cccc(c1)C(F)(F)F)O)O | 9313928 | ||
3417 | 1633 | 38 | None | -1 | 10 | Mouse | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | 458 | 11 | 4 | 5 | 3.6 | OC(=O)CCC/C=C\C[C@H]1[C@@H](O)C[C@H]([C@@H]1/C=C/[C@H](COc1cccc(c1)C(F)(F)F)O)O | 9313928 | ||
5311100 | 1633 | 38 | None | -1 | 10 | Mouse | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | 458 | 11 | 4 | 5 | 3.6 | OC(=O)CCC/C=C\C[C@H]1[C@@H](O)C[C@H]([C@@H]1/C=C/[C@H](COc1cccc(c1)C(F)(F)F)O)O | 9313928 | ||
CHEMBL1201379 | 1633 | 38 | None | -1 | 10 | Mouse | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | 458 | 11 | 4 | 5 | 3.6 | OC(=O)CCC/C=C\C[C@H]1[C@@H](O)C[C@H]([C@@H]1/C=C/[C@H](COc1cccc(c1)C(F)(F)F)O)O | 9313928 | ||
DB11519 | 1633 | 38 | None | -1 | 10 | Mouse | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | 458 | 11 | 4 | 5 | 3.6 | OC(=O)CCC/C=C\C[C@H]1[C@@H](O)C[C@H]([C@@H]1/C=C/[C@H](COc1cccc(c1)C(F)(F)F)O)O | 9313928 | ||
1884 | 3034 | 46 | None | 4 | 22 | Mouse | 8.5 | pKi | None | 8.5 | 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 | 9313928 | ||
5280363 | 3034 | 46 | None | 4 | 22 | Mouse | 8.5 | pKi | None | 8.5 | 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 | 9313928 | ||
912 | 3034 | 46 | None | 4 | 22 | Mouse | 8.5 | pKi | None | 8.5 | 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 | 9313928 | ||
CHEMBL815 | 3034 | 46 | None | 4 | 22 | Mouse | 8.5 | pKi | None | 8.5 | 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 | 9313928 | ||
DB12789 | 3034 | 46 | None | 4 | 22 | Mouse | 8.5 | pKi | None | 8.5 | 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 | 9313928 | ||
1894 | 943 | 35 | None | 1 | 5 | Human | 9.3 | pKi | None | 9.3 | Binding | Guide to Pharmacology | 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 | 10634944 | ||
5311053 | 943 | 35 | None | 1 | 5 | Human | 9.3 | pKi | None | 9.3 | Binding | Guide to Pharmacology | 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 | 10634944 | ||
CHEMBL37853 | 943 | 35 | None | 1 | 5 | Human | 9.3 | pKi | None | 9.3 | Binding | Guide to Pharmacology | 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 | 10634944 | ||
DB11507 | 943 | 35 | None | 1 | 5 | Human | 9.3 | pKi | None | 9.3 | Binding | Guide to Pharmacology | 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 | 10634944 | ||
11156438 | 2252 | 0 | None | 1 | 2 | Human | 8.1 | pKi | ~ | 8.1 | Binding | Drug Central | 507 | 18 | 3 | 8 | 3.8 | O[C@@H](CCc1ccccc1)CC[C@H]1[C@H](O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)OCCCCO[N+](=O)[O-])O | None | ||
5261 | 2252 | 0 | None | 1 | 2 | Human | 8.1 | pKi | ~ | 8.1 | Binding | Drug Central | 507 | 18 | 3 | 8 | 3.8 | O[C@@H](CCc1ccccc1)CC[C@H]1[C@H](O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)OCCCCO[N+](=O)[O-])O | None | ||
9635 | 2252 | 0 | None | 1 | 2 | Human | 8.1 | pKi | ~ | 8.1 | Binding | Drug Central | 507 | 18 | 3 | 8 | 3.8 | O[C@@H](CCc1ccccc1)CC[C@H]1[C@H](O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)OCCCCO[N+](=O)[O-])O | None | ||
CHEMBL2364612 | 2252 | 0 | None | 1 | 2 | Human | 8.1 | pKi | ~ | 8.1 | Binding | Drug Central | 507 | 18 | 3 | 8 | 3.8 | O[C@@H](CCc1ccccc1)CC[C@H]1[C@H](O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)OCCCCO[N+](=O)[O-])O | None | ||
DB11660 | 2252 | 0 | None | 1 | 2 | Human | 8.1 | pKi | ~ | 8.1 | Binding | Drug Central | 507 | 18 | 3 | 8 | 3.8 | O[C@@H](CCc1ccccc1)CC[C@H]1[C@H](O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)OCCCCO[N+](=O)[O-])O | None | ||
11156438 | 2252 | 0 | None | 1 | 2 | Human | 8.6 | pKi | ~ | 8.6 | Binding | Guide to Pharmacology | 507 | 18 | 3 | 8 | 3.8 | O[C@@H](CCc1ccccc1)CC[C@H]1[C@H](O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)OCCCCO[N+](=O)[O-])O | 10634944 | ||
11156438 | 2252 | 0 | None | 1 | 2 | Human | 8.6 | pKi | ~ | 8.6 | Binding | Guide to Pharmacology | 507 | 18 | 3 | 8 | 3.8 | O[C@@H](CCc1ccccc1)CC[C@H]1[C@H](O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)OCCCCO[N+](=O)[O-])O | 21396362 | ||
5261 | 2252 | 0 | None | 1 | 2 | Human | 8.6 | pKi | ~ | 8.6 | Binding | Guide to Pharmacology | 507 | 18 | 3 | 8 | 3.8 | O[C@@H](CCc1ccccc1)CC[C@H]1[C@H](O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)OCCCCO[N+](=O)[O-])O | 10634944 | ||
5261 | 2252 | 0 | None | 1 | 2 | Human | 8.6 | pKi | ~ | 8.6 | Binding | Guide to Pharmacology | 507 | 18 | 3 | 8 | 3.8 | O[C@@H](CCc1ccccc1)CC[C@H]1[C@H](O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)OCCCCO[N+](=O)[O-])O | 21396362 | ||
9635 | 2252 | 0 | None | 1 | 2 | Human | 8.6 | pKi | ~ | 8.6 | Binding | Guide to Pharmacology | 507 | 18 | 3 | 8 | 3.8 | O[C@@H](CCc1ccccc1)CC[C@H]1[C@H](O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)OCCCCO[N+](=O)[O-])O | 10634944 | ||
9635 | 2252 | 0 | None | 1 | 2 | Human | 8.6 | pKi | ~ | 8.6 | Binding | Guide to Pharmacology | 507 | 18 | 3 | 8 | 3.8 | O[C@@H](CCc1ccccc1)CC[C@H]1[C@H](O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)OCCCCO[N+](=O)[O-])O | 21396362 | ||
CHEMBL2364612 | 2252 | 0 | None | 1 | 2 | Human | 8.6 | pKi | ~ | 8.6 | Binding | Guide to Pharmacology | 507 | 18 | 3 | 8 | 3.8 | O[C@@H](CCc1ccccc1)CC[C@H]1[C@H](O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)OCCCCO[N+](=O)[O-])O | 10634944 | ||
CHEMBL2364612 | 2252 | 0 | None | 1 | 2 | Human | 8.6 | pKi | ~ | 8.6 | Binding | Guide to Pharmacology | 507 | 18 | 3 | 8 | 3.8 | O[C@@H](CCc1ccccc1)CC[C@H]1[C@H](O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)OCCCCO[N+](=O)[O-])O | 21396362 | ||
DB11660 | 2252 | 0 | None | 1 | 2 | Human | 8.6 | pKi | ~ | 8.6 | Binding | Guide to Pharmacology | 507 | 18 | 3 | 8 | 3.8 | O[C@@H](CCc1ccccc1)CC[C@H]1[C@H](O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)OCCCCO[N+](=O)[O-])O | 10634944 | ||
DB11660 | 2252 | 0 | None | 1 | 2 | Human | 8.6 | pKi | ~ | 8.6 | Binding | Guide to Pharmacology | 507 | 18 | 3 | 8 | 3.8 | O[C@@H](CCc1ccccc1)CC[C@H]1[C@H](O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)OCCCCO[N+](=O)[O-])O | 21396362 |