Ligand source activities (1 row/activity)
Ligands (move mouse cursor over ligand name to see structure) | Receptor | Activity | Chemical information | ||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Sel. page | Common name |
GPCRdb ID |
Vendors |
Reference ligand |
Fold selectivity |
Tested GPCRs |
Species |
p-value (-log) |
Activity Type |
Activity Relation |
Activity Value |
Assay Type |
Assay Description |
Source |
Mol weight |
Rot Bonds |
H don |
H acc |
LogP |
Smiles |
DOI |
8541 | 2942 | 2 | None | 38 | 4 | Human | 11.0 | pEC50 | = | 11 | Functional | ChEMBL | 436 | 13 | 3 | 6 | 2.8 | COCc1cccc(c1)C[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCSCCCC(=O)O)O | 10.1021/acs.jmedchem.9b00336 | ||
9824353 | 2942 | 2 | None | 38 | 4 | Human | 11.0 | pEC50 | = | 11 | Functional | ChEMBL | 436 | 13 | 3 | 6 | 2.8 | COCc1cccc(c1)C[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCSCCCC(=O)O)O | 10.1021/acs.jmedchem.9b00336 | ||
CHEMBL292964 | 2942 | 2 | None | 38 | 4 | Human | 11.0 | pEC50 | = | 11 | Functional | ChEMBL | 436 | 13 | 3 | 6 | 2.8 | COCc1cccc(c1)C[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCSCCCC(=O)O)O | 10.1021/acs.jmedchem.9b00336 | ||
72948479 | 153031 | 0 | None | 512 | 2 | Human | 11.0 | pEC50 | = | 11 | Functional | ChEMBL | 491 | 12 | 2 | 4 | 5.2 | C[C@@H](CCCc1ccccc1)[C@H](O)/C=C/[C@H]1CC(F)(F)C(=O)N1CCCc1ccc(C(=O)O)s1 | nan | ||
CHEMBL3975743 | 153031 | 0 | None | 512 | 2 | Human | 11.0 | pEC50 | = | 11 | Functional | ChEMBL | 491 | 12 | 2 | 4 | 5.2 | C[C@@H](CCCc1ccccc1)[C@H](O)/C=C/[C@H]1CC(F)(F)C(=O)N1CCCc1ccc(C(=O)O)s1 | nan | ||
90054537 | 148401 | 0 | None | 213 | 2 | Human | 10.8 | pEC50 | = | 10.8 | Functional | ChEMBL | 491 | 12 | 2 | 4 | 5.2 | C[C@@H](CCCc1ccccc1)[C@@H](O)/C=C/[C@H]1CC(F)(F)C(=O)N1CCCc1ccc(C(=O)O)s1 | nan | ||
CHEMBL3937596 | 148401 | 0 | None | 213 | 2 | Human | 10.8 | pEC50 | = | 10.8 | Functional | ChEMBL | 491 | 12 | 2 | 4 | 5.2 | C[C@@H](CCCc1ccccc1)[C@@H](O)/C=C/[C@H]1CC(F)(F)C(=O)N1CCCc1ccc(C(=O)O)s1 | nan | ||
10291963 | 84706 | 0 | None | 6 | 4 | Human | 10.7 | pEC50 | = | 10.7 | Functional | ChEMBL | 359 | 10 | 2 | 3 | 3.4 | CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)N1CCc1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2007.11.020 | ||
CHEMBL222715 | 84706 | 0 | None | 6 | 4 | Human | 10.7 | pEC50 | = | 10.7 | Functional | ChEMBL | 359 | 10 | 2 | 3 | 3.4 | CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)N1CCc1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2007.11.020 | ||
1883 | 3080 | 75 | None | -1 | 12 | Human | 10.7 | pEC50 | = | 10.7 | Functional | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1021/acs.jmedchem.9b00336 | ||
1916 | 3080 | 75 | None | -1 | 12 | Human | 10.7 | pEC50 | = | 10.7 | Functional | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1021/acs.jmedchem.9b00336 | ||
5280360 | 3080 | 75 | None | -1 | 12 | Human | 10.7 | pEC50 | = | 10.7 | Functional | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1021/acs.jmedchem.9b00336 | ||
913 | 3080 | 75 | None | -1 | 12 | Human | 10.7 | pEC50 | = | 10.7 | Functional | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1021/acs.jmedchem.9b00336 | ||
CHEMBL548 | 3080 | 75 | None | -1 | 12 | Human | 10.7 | pEC50 | = | 10.7 | Functional | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1021/acs.jmedchem.9b00336 | ||
DB00917 | 3080 | 75 | None | -1 | 12 | Human | 10.7 | pEC50 | = | 10.7 | Functional | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1021/acs.jmedchem.9b00336 | ||
72950089 | 150589 | 0 | None | 4365 | 2 | Human | 10.7 | pEC50 | = | 10.7 | Functional | ChEMBL | 375 | 13 | 2 | 3 | 3.8 | CCCCC[C@H](O)/C=C/[C@H]1CC(F)(F)C(=O)N1CCCCCCC(=O)O | 10.1021/acs.jmedchem.9b00336 | ||
CHEMBL3955128 | 150589 | 0 | None | 4365 | 2 | Human | 10.7 | pEC50 | = | 10.7 | Functional | ChEMBL | 375 | 13 | 2 | 3 | 3.8 | CCCCC[C@H](O)/C=C/[C@H]1CC(F)(F)C(=O)N1CCCCCCC(=O)O | 10.1021/acs.jmedchem.9b00336 | ||
72949915 | 143331 | 0 | None | - | 1 | Human | 10.6 | pEC50 | = | 10.6 | Functional | ChEMBL | 451 | 14 | 2 | 3 | 4.8 | C[C@@H](CCCc1ccccc1)[C@H](O)/C=C/[C@H]1CC(F)(F)C(=O)N1CCCCCCC(=O)O | nan | ||
CHEMBL3897335 | 143331 | 0 | None | - | 1 | Human | 10.6 | pEC50 | = | 10.6 | Functional | ChEMBL | 451 | 14 | 2 | 3 | 4.8 | C[C@@H](CCCc1ccccc1)[C@H](O)/C=C/[C@H]1CC(F)(F)C(=O)N1CCCCCCC(=O)O | nan | ||
44455046 | 95725 | 0 | None | 8317 | 2 | Human | 10.5 | pEC50 | = | 10.5 | Functional | ChEMBL | 413 | 8 | 2 | 3 | 3.7 | O=C(O)c1ccc(CCN2C(=O)CC[C@@H]2/C=C/[C@@H](O)Cc2cccc(Cl)c2)cc1 | 10.1016/j.bmcl.2007.11.020 | ||
CHEMBL258332 | 95725 | 0 | None | 8317 | 2 | Human | 10.5 | pEC50 | = | 10.5 | Functional | ChEMBL | 413 | 8 | 2 | 3 | 3.7 | O=C(O)c1ccc(CCN2C(=O)CC[C@@H]2/C=C/[C@@H](O)Cc2cccc(Cl)c2)cc1 | 10.1016/j.bmcl.2007.11.020 | ||
9821171 | 97864 | 0 | None | 14454 | 2 | Human | 10.5 | pEC50 | = | 10.5 | Functional | ChEMBL | 379 | 8 | 2 | 3 | 3.1 | O=C(O)c1ccc(CCN2C(=O)CC[C@@H]2/C=C/[C@@H](O)Cc2ccccc2)cc1 | 10.1016/j.bmcl.2007.11.020 | ||
CHEMBL272276 | 97864 | 0 | None | 14454 | 2 | Human | 10.5 | pEC50 | = | 10.5 | Functional | ChEMBL | 379 | 8 | 2 | 3 | 3.1 | O=C(O)c1ccc(CCN2C(=O)CC[C@@H]2/C=C/[C@@H](O)Cc2ccccc2)cc1 | 10.1016/j.bmcl.2007.11.020 | ||
90054482 | 143915 | 0 | None | 26302 | 2 | Human | 10.4 | pEC50 | = | 10.4 | Functional | ChEMBL | 463 | 10 | 2 | 4 | 4.4 | C[C@@H](Cc1ccccc1)[C@H](O)/C=C/[C@H]1CC(F)(F)C(=O)N1CCCc1ccc(C(=O)O)s1 | nan | ||
CHEMBL3902065 | 143915 | 0 | None | 26302 | 2 | Human | 10.4 | pEC50 | = | 10.4 | Functional | ChEMBL | 463 | 10 | 2 | 4 | 4.4 | C[C@@H](Cc1ccccc1)[C@H](O)/C=C/[C@H]1CC(F)(F)C(=O)N1CCCc1ccc(C(=O)O)s1 | nan | ||
44442327 | 94457 | 0 | None | 891 | 2 | Human | 10.4 | pEC50 | = | 10.4 | Functional | ChEMBL | 345 | 9 | 2 | 3 | 3.0 | CCCC[C@H](O)/C=C/[C@H]1CCC(=O)N1CCc1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2007.11.020 | ||
CHEMBL251294 | 94457 | 0 | None | 891 | 2 | Human | 10.4 | pEC50 | = | 10.4 | Functional | ChEMBL | 345 | 9 | 2 | 3 | 3.0 | CCCC[C@H](O)/C=C/[C@H]1CCC(=O)N1CCc1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2007.11.020 | ||
12137443 | 84701 | 0 | None | - | 1 | Human | 10.4 | pEC50 | = | 10.4 | Functional | ChEMBL | 491 | 9 | 2 | 3 | 6.1 | Cc1cc(Cl)ccc1-c1cccc([C@H](O)CC[C@H]2CCC(=O)N2CCc2ccc(C(=O)O)cc2)c1 | 10.1021/jm049290a | ||
CHEMBL222677 | 84701 | 0 | None | - | 1 | Human | 10.4 | pEC50 | = | 10.4 | Functional | ChEMBL | 491 | 9 | 2 | 3 | 6.1 | Cc1cc(Cl)ccc1-c1cccc([C@H](O)CC[C@H]2CCC(=O)N2CCc2ccc(C(=O)O)cc2)c1 | 10.1021/jm049290a | ||
92135977 | 152894 | 0 | None | 141 | 4 | Human | 10.4 | pEC50 | = | 10.4 | Functional | ChEMBL | 396 | 8 | 2 | 3 | 4.2 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2cccc(F)c2)cc1 | nan | ||
CHEMBL3974652 | 152894 | 0 | None | 141 | 4 | Human | 10.4 | pEC50 | = | 10.4 | Functional | ChEMBL | 396 | 8 | 2 | 3 | 4.2 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2cccc(F)c2)cc1 | nan | ||
72950425 | 143048 | 0 | None | 19952 | 2 | Human | 10.3 | pEC50 | = | 10.3 | Functional | ChEMBL | 419 | 8 | 2 | 3 | 3.5 | CCC#CC[C@H](C)[C@H](O)/C=C/[C@H]1CC(F)(F)C(=O)N1CCc1ccc(C(=O)O)cc1 | nan | ||
CHEMBL3895047 | 143048 | 0 | None | 19952 | 2 | Human | 10.3 | pEC50 | = | 10.3 | Functional | ChEMBL | 419 | 8 | 2 | 3 | 3.5 | CCC#CC[C@H](C)[C@H](O)/C=C/[C@H]1CC(F)(F)C(=O)N1CCc1ccc(C(=O)O)cc1 | nan | ||
118517359 | 144394 | 0 | None | 79 | 4 | Human | 10.3 | pEC50 | = | 10.3 | Functional | ChEMBL | 456 | 8 | 2 | 3 | 4.8 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2cccc(Br)c2)cc1 | nan | ||
CHEMBL3906016 | 144394 | 0 | None | 79 | 4 | Human | 10.3 | pEC50 | = | 10.3 | Functional | ChEMBL | 456 | 8 | 2 | 3 | 4.8 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2cccc(Br)c2)cc1 | nan | ||
90054392 | 142916 | 0 | None | 1348962 | 2 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | 519 | 14 | 2 | 4 | 6.0 | C[C@@H](CCCCCc1ccccc1)[C@@H](O)/C=C/[C@H]1CC(F)(F)C(=O)N1CCCc1ccc(C(=O)O)s1 | nan | ||
CHEMBL3893847 | 142916 | 0 | None | 1348962 | 2 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | 519 | 14 | 2 | 4 | 6.0 | C[C@@H](CCCCCc1ccccc1)[C@@H](O)/C=C/[C@H]1CC(F)(F)C(=O)N1CCCc1ccc(C(=O)O)s1 | nan | ||
44289922 | 163522 | 0 | None | 4 | 2 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | 339 | 13 | 2 | 3 | 3.5 | CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)N1CCCCCCC(=O)O | 10.1021/acs.jmedchem.9b00336 | ||
CHEMBL42027 | 163522 | 0 | None | 4 | 2 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | 339 | 13 | 2 | 3 | 3.5 | CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)N1CCCCCCC(=O)O | 10.1021/acs.jmedchem.9b00336 | ||
72948663 | 145732 | 0 | None | 2884 | 2 | Human | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | 415 | 11 | 2 | 4 | 4.1 | CCCCC[C@H](O)/C=C/[C@H]1CC(F)(F)C(=O)N1CCCc1ccc(C(=O)O)s1 | nan | ||
CHEMBL3916499 | 145732 | 0 | None | 2884 | 2 | Human | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | 415 | 11 | 2 | 4 | 4.1 | CCCCC[C@H](O)/C=C/[C@H]1CC(F)(F)C(=O)N1CCCc1ccc(C(=O)O)s1 | nan | ||
12521 | 2195 | 0 | None | 23988 | 2 | Human | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | 399 | 11 | 2 | 3 | 3.6 | FC1(C(N([C@H](C1)/C=C/[C@H]([C@H](CC#CCC)C)O)CCCCCCC(=O)O)=O)F | 10.1021/acs.jmedchem.9b00336 | ||
72722131 | 2195 | 0 | None | 23988 | 2 | Human | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | 399 | 11 | 2 | 3 | 3.6 | FC1(C(N([C@H](C1)/C=C/[C@H]([C@H](CC#CCC)C)O)CCCCCCC(=O)O)=O)F | 10.1021/acs.jmedchem.9b00336 | ||
CHEMBL3918816 | 2195 | 0 | None | 23988 | 2 | Human | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | 399 | 11 | 2 | 3 | 3.6 | FC1(C(N([C@H](C1)/C=C/[C@H]([C@H](CC#CCC)C)O)CCCCCCC(=O)O)=O)F | 10.1021/acs.jmedchem.9b00336 | ||
44442331 | 94488 | 0 | None | 346 | 2 | Human | 10.0 | pEC50 | = | 10 | Functional | ChEMBL | 355 | 9 | 1 | 2 | 4.6 | CCCC/C(C)=C\C=C\[C@H]1CCC(=O)N1CCc1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2007.05.025 | ||
CHEMBL251505 | 94488 | 0 | None | 346 | 2 | Human | 10.0 | pEC50 | = | 10 | Functional | ChEMBL | 355 | 9 | 1 | 2 | 4.6 | CCCC/C(C)=C\C=C\[C@H]1CCC(=O)N1CCc1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2007.05.025 | ||
44444720 | 94225 | 0 | None | - | 1 | Human | 10.0 | pEC50 | = | 10 | Functional | ChEMBL | 460 | 9 | 2 | 4 | 3.1 | O=C(O)c1ccc(CCN2C(=O)CCN2CC[C@@H](O)Cc2cccc(Br)c2)cc1 | 10.1016/j.bmcl.2007.09.074 | ||
CHEMBL249953 | 94225 | 0 | None | - | 1 | Human | 10.0 | pEC50 | = | 10 | Functional | ChEMBL | 460 | 9 | 2 | 4 | 3.1 | O=C(O)c1ccc(CCN2C(=O)CCN2CC[C@@H](O)Cc2cccc(Br)c2)cc1 | 10.1016/j.bmcl.2007.09.074 | ||
8541 | 2942 | 2 | None | 38 | 4 | Human | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | 436 | 13 | 3 | 6 | 2.8 | COCc1cccc(c1)C[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCSCCCC(=O)O)O | 10.1021/acs.jmedchem.9b00336 | ||
9824353 | 2942 | 2 | None | 38 | 4 | Human | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | 436 | 13 | 3 | 6 | 2.8 | COCc1cccc(c1)C[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCSCCCC(=O)O)O | 10.1021/acs.jmedchem.9b00336 | ||
CHEMBL292964 | 2942 | 2 | None | 38 | 4 | Human | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | 436 | 13 | 3 | 6 | 2.8 | COCc1cccc(c1)C[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCSCCCC(=O)O)O | 10.1021/acs.jmedchem.9b00336 | ||
90054391 | 142664 | 0 | None | - | 1 | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | 477 | 11 | 2 | 4 | 4.8 | C[C@@H](CCc1ccccc1)[C@H](O)/C=C/[C@H]1CC(F)(F)C(=O)N1CCCc1ccc(C(=O)O)s1 | nan | ||
CHEMBL3891907 | 142664 | 0 | None | - | 1 | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | 477 | 11 | 2 | 4 | 4.8 | C[C@@H](CCc1ccccc1)[C@H](O)/C=C/[C@H]1CC(F)(F)C(=O)N1CCCc1ccc(C(=O)O)s1 | nan | ||
72949200 | 153775 | 0 | None | - | 1 | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | 385 | 11 | 2 | 3 | 3.2 | CC#CC[C@H](C)[C@H](O)/C=C/[C@H]1CC(F)(F)C(=O)N1CCCCCCC(=O)O | nan | ||
CHEMBL3982139 | 153775 | 0 | None | - | 1 | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | 385 | 11 | 2 | 3 | 3.2 | CC#CC[C@H](C)[C@H](O)/C=C/[C@H]1CC(F)(F)C(=O)N1CCCCCCC(=O)O | nan | ||
10298293 | 94165 | 0 | None | - | 1 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 460 | 9 | 2 | 4 | 3.1 | O=C(O)c1ccc(CCN2C(=O)CCN2CCC(O)Cc2cccc(Br)c2)cc1 | 10.1016/j.bmcl.2007.09.074 | ||
CHEMBL249538 | 94165 | 0 | None | - | 1 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 460 | 9 | 2 | 4 | 3.1 | O=C(O)c1ccc(CCN2C(=O)CCN2CCC(O)Cc2cccc(Br)c2)cc1 | 10.1016/j.bmcl.2007.09.074 | ||
10295421 | 94195 | 0 | None | - | 1 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 416 | 9 | 2 | 4 | 3.0 | O=C(O)c1ccc(CCN2C(=O)CCN2CCC(O)Cc2cccc(Cl)c2)cc1 | 10.1016/j.bmcl.2007.09.074 | ||
CHEMBL249744 | 94195 | 0 | None | - | 1 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 416 | 9 | 2 | 4 | 3.0 | O=C(O)c1ccc(CCN2C(=O)CCN2CCC(O)Cc2cccc(Cl)c2)cc1 | 10.1016/j.bmcl.2007.09.074 | ||
23660680 | 57099 | 0 | None | - | 1 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 468 | 6 | 2 | 3 | 5.5 | C[C@H](NC(=O)c1cccc2c1N(Cc1cccc(C(F)(F)F)c1)CC2)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2010.10.106 | ||
CHEMBL1645138 | 57099 | 0 | None | - | 1 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 468 | 6 | 2 | 3 | 5.5 | C[C@H](NC(=O)c1cccc2c1N(Cc1cccc(C(F)(F)F)c1)CC2)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2010.10.106 | ||
11440167 | 84716 | 0 | None | - | 1 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 371 | 9 | 2 | 3 | 3.4 | O=C(O)c1ccc(CCN2C(=O)CC[C@@H]2/C=C/[C@@H](O)CCC2CCC2)cc1 | 10.1021/jm049290a | ||
CHEMBL222782 | 84716 | 0 | None | - | 1 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 371 | 9 | 2 | 3 | 3.4 | O=C(O)c1ccc(CCN2C(=O)CC[C@@H]2/C=C/[C@@H](O)CCC2CCC2)cc1 | 10.1021/jm049290a | ||
118517485 | 142748 | 0 | None | 3 | 4 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 396 | 8 | 2 | 3 | 4.2 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2ccc(F)cc2)cc1 | nan | ||
CHEMBL3892492 | 142748 | 0 | None | 3 | 4 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 396 | 8 | 2 | 3 | 4.2 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2ccc(F)cc2)cc1 | nan | ||
118517489 | 143689 | 0 | None | 18 | 3 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 414 | 8 | 2 | 3 | 4.4 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2cc(F)ccc2F)cc1 | nan | ||
CHEMBL3900245 | 143689 | 0 | None | 18 | 3 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 414 | 8 | 2 | 3 | 4.4 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2cc(F)ccc2F)cc1 | nan | ||
118517359 | 144394 | 0 | None | 79 | 4 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 456 | 8 | 2 | 3 | 4.8 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2cccc(Br)c2)cc1 | nan | ||
CHEMBL3906016 | 144394 | 0 | None | 79 | 4 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 456 | 8 | 2 | 3 | 4.8 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2cccc(Br)c2)cc1 | nan | ||
118517361 | 153368 | 0 | None | 107 | 3 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 446 | 8 | 2 | 3 | 5.1 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2cccc(C(F)(F)F)c2)cc1 | nan | ||
CHEMBL3978590 | 153368 | 0 | None | 107 | 3 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 446 | 8 | 2 | 3 | 5.1 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2cccc(C(F)(F)F)c2)cc1 | nan | ||
118517488 | 153709 | 0 | None | 14 | 3 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 414 | 8 | 2 | 3 | 4.4 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2cccc(F)c2F)cc1 | nan | ||
CHEMBL3981554 | 153709 | 0 | None | 14 | 3 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 414 | 8 | 2 | 3 | 4.4 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2cccc(F)c2F)cc1 | nan | ||
5283056 | 202858 | 34 | None | 75 | 2 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O | nan | ||
CHEMBL62570 | 202858 | 34 | None | 75 | 2 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O | nan | ||
12521 | 2195 | 0 | None | 23988 | 2 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 399 | 11 | 2 | 3 | 3.6 | FC1(C(N([C@H](C1)/C=C/[C@H]([C@H](CC#CCC)C)O)CCCCCCC(=O)O)=O)F | nan | ||
72722131 | 2195 | 0 | None | 23988 | 2 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 399 | 11 | 2 | 3 | 3.6 | FC1(C(N([C@H](C1)/C=C/[C@H]([C@H](CC#CCC)C)O)CCCCCCC(=O)O)=O)F | nan | ||
CHEMBL3918816 | 2195 | 0 | None | 23988 | 2 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 399 | 11 | 2 | 3 | 3.6 | FC1(C(N([C@H](C1)/C=C/[C@H]([C@H](CC#CCC)C)O)CCCCCCC(=O)O)=O)F | nan | ||
44455084 | 97865 | 0 | None | 10 | 2 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 399 | 10 | 2 | 3 | 4.2 | CCCCC1([C@@H](O)/C=C/[C@H]2CCC(=O)N2CCc2ccc(C(=O)O)cc2)CCC1 | 10.1016/j.bmcl.2007.11.020 | ||
CHEMBL272277 | 97865 | 0 | None | 10 | 2 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 399 | 10 | 2 | 3 | 4.2 | CCCCC1([C@@H](O)/C=C/[C@H]2CCC(=O)N2CCc2ccc(C(=O)O)cc2)CCC1 | 10.1016/j.bmcl.2007.11.020 | ||
118517483 | 144269 | 0 | None | 22 | 3 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 396 | 8 | 2 | 3 | 4.2 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2ccccc2F)cc1 | nan | ||
CHEMBL3904946 | 144269 | 0 | None | 22 | 3 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 396 | 8 | 2 | 3 | 4.2 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2ccccc2F)cc1 | nan | ||
118517490 | 153153 | 0 | None | 12 | 4 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 414 | 8 | 2 | 3 | 4.4 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2ccc(F)c(F)c2)cc1 | nan | ||
CHEMBL3976710 | 153153 | 0 | None | 12 | 4 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 414 | 8 | 2 | 3 | 4.4 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2ccc(F)c(F)c2)cc1 | nan | ||
72950089 | 150589 | 0 | None | 4365 | 2 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 375 | 13 | 2 | 3 | 3.8 | CCCCC[C@H](O)/C=C/[C@H]1CC(F)(F)C(=O)N1CCCCCCC(=O)O | 10.1021/acs.jmedchem.9b00336 | ||
CHEMBL3955128 | 150589 | 0 | None | 4365 | 2 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 375 | 13 | 2 | 3 | 3.8 | CCCCC[C@H](O)/C=C/[C@H]1CC(F)(F)C(=O)N1CCCCCCC(=O)O | 10.1021/acs.jmedchem.9b00336 | ||
23660678 | 57103 | 0 | None | - | 1 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 556 | 6 | 2 | 3 | 6.0 | C[C@H](NC(=O)c1cccc2c1N(Cc1cc(Br)cc(Br)c1)CC2)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2010.10.106 | ||
CHEMBL1645142 | 57103 | 0 | None | - | 1 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 556 | 6 | 2 | 3 | 6.0 | C[C@H](NC(=O)c1cccc2c1N(Cc1cc(Br)cc(Br)c1)CC2)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2010.10.106 | ||
72950089 | 150589 | 0 | None | 4365 | 2 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 375 | 13 | 2 | 3 | 3.8 | CCCCC[C@H](O)/C=C/[C@H]1CC(F)(F)C(=O)N1CCCCCCC(=O)O | nan | ||
CHEMBL3955128 | 150589 | 0 | None | 4365 | 2 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 375 | 13 | 2 | 3 | 3.8 | CCCCC[C@H](O)/C=C/[C@H]1CC(F)(F)C(=O)N1CCCCCCC(=O)O | nan | ||
90054429 | 153296 | 0 | None | - | 1 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 505 | 13 | 2 | 4 | 5.6 | C[C@@H](CCCCc1ccccc1)[C@@H](O)/C=C/[C@H]1CC(F)(F)C(=O)N1CCCc1ccc(C(=O)O)s1 | nan | ||
CHEMBL3977939 | 153296 | 0 | None | - | 1 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 505 | 13 | 2 | 4 | 5.6 | C[C@@H](CCCCc1ccccc1)[C@@H](O)/C=C/[C@H]1CC(F)(F)C(=O)N1CCCc1ccc(C(=O)O)s1 | nan | ||
72706947 | 174662 | 20 | None | - | 1 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 363 | 11 | 2 | 3 | 3.4 | CCC#CC[C@H](C)[C@H](O)/C=C/[C@H]1CCC(=O)N1CCCCCCC(=O)O | 10.1021/acs.jmedchem.9b00336 | ||
CHEMBL4558749 | 174662 | 20 | None | - | 1 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 363 | 11 | 2 | 3 | 3.4 | CCC#CC[C@H](C)[C@H](O)/C=C/[C@H]1CCC(=O)N1CCCCCCC(=O)O | 10.1021/acs.jmedchem.9b00336 | ||
5283086 | 203308 | 24 | None | 10 | 4 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O | nan | ||
CHEMBL64804 | 203308 | 24 | None | 10 | 4 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O | nan | ||
9934368 | 138919 | 11 | None | 1 | 3 | Rat | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 469 | 10 | 2 | 4 | 4.8 | O=C(O)c1ccc(CCCN2C(=O)CC[C@@H]2CC[C@@H](O)Cc2cccc(C(F)(F)F)c2)s1 | 10.1016/j.bmcl.2006.01.018 | ||
CHEMBL378376 | 138919 | 11 | None | 1 | 3 | Rat | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 469 | 10 | 2 | 4 | 4.8 | O=C(O)c1ccc(CCCN2C(=O)CC[C@@H]2CC[C@@H](O)Cc2cccc(C(F)(F)F)c2)s1 | 10.1016/j.bmcl.2006.01.018 | ||
10452108 | 94006 | 0 | None | - | 1 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 375 | 7 | 1 | 2 | 4.6 | C/C(=C\C=C\[C@H]1CCC(=O)N1CCc1ccc(C(=O)O)cc1)c1ccccc1 | 10.1016/j.bmcl.2007.05.025 | ||
CHEMBL248679 | 94006 | 0 | None | - | 1 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 375 | 7 | 1 | 2 | 4.6 | C/C(=C\C=C\[C@H]1CCC(=O)N1CCc1ccc(C(=O)O)cc1)c1ccccc1 | 10.1016/j.bmcl.2007.05.025 | ||
57395059 | 69472 | 0 | None | 11 | 3 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 418 | 9 | 2 | 6 | 3.1 | O=C(O)c1csc(SCCN2C(=O)CC[C@@H]2/C=C/[C@@H](O)Cc2ccccc2)n1 | 10.1021/acsmedchemlett.5b00455 | ||
CHEMBL1933725 | 69472 | 0 | None | 11 | 3 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 418 | 9 | 2 | 6 | 3.1 | O=C(O)c1csc(SCCN2C(=O)CC[C@@H]2/C=C/[C@@H](O)Cc2ccccc2)n1 | 10.1021/acsmedchemlett.5b00455 | ||
9934368 | 138919 | 11 | None | 1 | 3 | Rat | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 469 | 10 | 2 | 4 | 4.8 | O=C(O)c1ccc(CCCN2C(=O)CC[C@@H]2CC[C@@H](O)Cc2cccc(C(F)(F)F)c2)s1 | 10.1021/jm9018756 | ||
CHEMBL378376 | 138919 | 11 | None | 1 | 3 | Rat | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 469 | 10 | 2 | 4 | 4.8 | O=C(O)c1ccc(CCCN2C(=O)CC[C@@H]2CC[C@@H](O)Cc2cccc(C(F)(F)F)c2)s1 | 10.1021/jm9018756 | ||
118517453 | 151893 | 0 | None | 134 | 2 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 434 | 8 | 2 | 4 | 5.3 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2ccc3ccsc3c2)cc1 | nan | ||
CHEMBL3965850 | 151893 | 0 | None | 134 | 2 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 434 | 8 | 2 | 4 | 5.3 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2ccc3ccsc3c2)cc1 | nan | ||
1883 | 3080 | 75 | None | -1 | 12 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1021/acs.jmedchem.9b00336 | ||
1916 | 3080 | 75 | None | -1 | 12 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1021/acs.jmedchem.9b00336 | ||
5280360 | 3080 | 75 | None | -1 | 12 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1021/acs.jmedchem.9b00336 | ||
913 | 3080 | 75 | None | -1 | 12 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1021/acs.jmedchem.9b00336 | ||
CHEMBL548 | 3080 | 75 | None | -1 | 12 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1021/acs.jmedchem.9b00336 | ||
DB00917 | 3080 | 75 | None | -1 | 12 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1021/acs.jmedchem.9b00336 | ||
44409738 | 139604 | 0 | None | 229 | 2 | Rat | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 435 | 10 | 2 | 4 | 4.4 | O=C(O)c1ccc(CCCN2C(=O)CC[C@@H]2CC[C@@H](O)Cc2cccc(Cl)c2)s1 | 10.1016/j.bmcl.2006.01.018 | ||
CHEMBL379746 | 139604 | 0 | None | 229 | 2 | Rat | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 435 | 10 | 2 | 4 | 4.4 | O=C(O)c1ccc(CCCN2C(=O)CC[C@@H]2CC[C@@H](O)Cc2cccc(Cl)c2)s1 | 10.1016/j.bmcl.2006.01.018 | ||
57894115 | 75160 | 0 | None | - | 1 | Rat | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 484 | 14 | 2 | 6 | 3.7 | O=C(O)CCCSCCN1C(=O)CC[C@@H]1/C=C/[C@@H](O)Cc1cccc(OCc2ccccn2)c1 | 10.1016/j.bmc.2012.04.008 | ||
CHEMBL2036316 | 75160 | 0 | None | - | 1 | Rat | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 484 | 14 | 2 | 6 | 3.7 | O=C(O)CCCSCCN1C(=O)CC[C@@H]1/C=C/[C@@H](O)Cc1cccc(OCc2ccccn2)c1 | 10.1016/j.bmc.2012.04.008 | ||
72950929 | 146580 | 0 | None | 8912 | 2 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 395 | 10 | 2 | 3 | 3.7 | CCCCC[C@H](O)/C=C/[C@H]1CC(F)(F)C(=O)N1CCc1ccc(C(=O)O)cc1 | nan | ||
CHEMBL3923027 | 146580 | 0 | None | 8912 | 2 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 395 | 10 | 2 | 3 | 3.7 | CCCCC[C@H](O)/C=C/[C@H]1CC(F)(F)C(=O)N1CCc1ccc(C(=O)O)cc1 | nan | ||
1883 | 3080 | 75 | None | -1 | 12 | Rat | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.bmcl.2009.01.059 | ||
1916 | 3080 | 75 | None | -1 | 12 | Rat | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.bmcl.2009.01.059 | ||
5280360 | 3080 | 75 | None | -1 | 12 | Rat | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.bmcl.2009.01.059 | ||
913 | 3080 | 75 | None | -1 | 12 | Rat | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.bmcl.2009.01.059 | ||
CHEMBL548 | 3080 | 75 | None | -1 | 12 | Rat | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.bmcl.2009.01.059 | ||
DB00917 | 3080 | 75 | None | -1 | 12 | Rat | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.bmcl.2009.01.059 | ||
72948294 | 149955 | 0 | None | 1174 | 2 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 439 | 9 | 2 | 4 | 4.0 | CCC#CC[C@H](C)[C@H](O)/C=C/[C@H]1CC(F)(F)C(=O)N1CCCc1ccc(C(=O)O)s1 | nan | ||
CHEMBL3949856 | 149955 | 0 | None | 1174 | 2 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 439 | 9 | 2 | 4 | 4.0 | CCC#CC[C@H](C)[C@H](O)/C=C/[C@H]1CC(F)(F)C(=O)N1CCCc1ccc(C(=O)O)s1 | nan | ||
56835070 | 69469 | 0 | None | 112 | 2 | Rat | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 432 | 9 | 2 | 6 | 3.4 | Cc1cccc(C[C@H](O)/C=C/[C@H]2CCC(=O)N2CCSc2nc(C(=O)O)cs2)c1 | 10.1016/j.bmc.2012.02.018 | ||
CHEMBL1933722 | 69469 | 0 | None | 112 | 2 | Rat | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 432 | 9 | 2 | 6 | 3.4 | Cc1cccc(C[C@H](O)/C=C/[C@H]2CCC(=O)N2CCSc2nc(C(=O)O)cs2)c1 | 10.1016/j.bmc.2012.02.018 | ||
56835070 | 69469 | 0 | None | 112 | 2 | Rat | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 432 | 9 | 2 | 6 | 3.4 | Cc1cccc(C[C@H](O)/C=C/[C@H]2CCC(=O)N2CCSc2nc(C(=O)O)cs2)c1 | 10.1016/j.bmc.2012.04.008 | ||
CHEMBL1933722 | 69469 | 0 | None | 112 | 2 | Rat | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 432 | 9 | 2 | 6 | 3.4 | Cc1cccc(C[C@H](O)/C=C/[C@H]2CCC(=O)N2CCSc2nc(C(=O)O)cs2)c1 | 10.1016/j.bmc.2012.04.008 | ||
10322469 | 101509 | 15 | None | - | 1 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 469 | 11 | 2 | 3 | 5.9 | Cc1cc(Cl)ccc1-c1cccc(C(O)/C=C/[C@H]2CCC(=O)N2CCCCCCC(=O)O)c1 | 10.1016/j.bmcl.2004.01.063 | ||
CHEMBL298026 | 101509 | 15 | None | - | 1 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 469 | 11 | 2 | 3 | 5.9 | Cc1cc(Cl)ccc1-c1cccc(C(O)/C=C/[C@H]2CCC(=O)N2CCCCCCC(=O)O)c1 | 10.1016/j.bmcl.2004.01.063 | ||
23634376 | 57094 | 0 | None | - | 1 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 434 | 6 | 2 | 3 | 5.1 | C[C@H](NC(=O)c1cccc2c1N(Cc1cccc(Cl)c1)CC2)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2010.10.106 | ||
CHEMBL1645133 | 57094 | 0 | None | - | 1 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 434 | 6 | 2 | 3 | 5.1 | C[C@H](NC(=O)c1cccc2c1N(Cc1cccc(Cl)c1)CC2)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2010.10.106 | ||
118510801 | 150998 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 428 | 8 | 2 | 3 | 5.2 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2ccc3ccccc3c2)cc1 | nan | ||
CHEMBL3958395 | 150998 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 428 | 8 | 2 | 3 | 5.2 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2ccc3ccccc3c2)cc1 | nan | ||
92135977 | 152894 | 0 | None | 141 | 4 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 396 | 8 | 2 | 3 | 4.2 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2cccc(F)c2)cc1 | nan | ||
CHEMBL3974652 | 152894 | 0 | None | 141 | 4 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 396 | 8 | 2 | 3 | 4.2 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2cccc(F)c2)cc1 | nan | ||
118689427 | 151850 | 0 | None | 8 | 2 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 519 | 10 | 2 | 6 | 3.8 | O=C(O)c1ccc(CCCN2[C@@H](/C=C/C(O)Cc3cccc(OC(F)(F)F)c3)CCS2(=O)=O)s1 | nan | ||
CHEMBL3965497 | 151850 | 0 | None | 8 | 2 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 519 | 10 | 2 | 6 | 3.8 | O=C(O)c1ccc(CCCN2[C@@H](/C=C/C(O)Cc3cccc(OC(F)(F)F)c3)CCS2(=O)=O)s1 | nan | ||
9845064 | 69346 | 0 | None | - | 1 | Rat | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 420 | 13 | 2 | 5 | 3.9 | COCc1cccc(C[C@H](O)/C=C/[C@H]2CCC(=O)[C@@H]2CCSCCCC(=O)O)c1 | 10.1016/j.bmc.2011.12.009 | ||
CHEMBL1929528 | 69346 | 0 | None | - | 1 | Rat | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 420 | 13 | 2 | 5 | 3.9 | COCc1cccc(C[C@H](O)/C=C/[C@H]2CCC(=O)[C@@H]2CCSCCCC(=O)O)c1 | 10.1016/j.bmc.2011.12.009 | ||
72950260 | 151157 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 437 | 14 | 2 | 3 | 4.6 | O=C(O)CCCCCCN1C(=O)C(F)(F)C[C@@H]1/C=C/[C@@H](O)CCCCc1ccccc1 | nan | ||
CHEMBL3959605 | 151157 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 437 | 14 | 2 | 3 | 4.6 | O=C(O)CCCCCCN1C(=O)C(F)(F)C[C@@H]1/C=C/[C@@H](O)CCCCc1ccccc1 | nan | ||
56834112 | 69345 | 0 | None | - | 1 | Rat | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 421 | 13 | 2 | 5 | 2.9 | COCc1cccc(C[C@H](O)/C=C/[C@H]2CCC(=O)N2CCSCCCC(=O)O)c1 | 10.1016/j.bmc.2011.12.009 | ||
CHEMBL1929527 | 69345 | 0 | None | - | 1 | Rat | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 421 | 13 | 2 | 5 | 2.9 | COCc1cccc(C[C@H](O)/C=C/[C@H]2CCC(=O)N2CCSCCCC(=O)O)c1 | 10.1016/j.bmc.2011.12.009 | ||
8541 | 2942 | 2 | None | -38 | 4 | Rat | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 436 | 13 | 3 | 6 | 2.8 | COCc1cccc(c1)C[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCSCCCC(=O)O)O | 10.1016/j.bmc.2011.12.009 | ||
9824353 | 2942 | 2 | None | -38 | 4 | Rat | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 436 | 13 | 3 | 6 | 2.8 | COCc1cccc(c1)C[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCSCCCC(=O)O)O | 10.1016/j.bmc.2011.12.009 | ||
CHEMBL292964 | 2942 | 2 | None | -38 | 4 | Rat | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 436 | 13 | 3 | 6 | 2.8 | COCc1cccc(c1)C[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCSCCCC(=O)O)O | 10.1016/j.bmc.2011.12.009 | ||
1930 | 3331 | 25 | None | - | 1 | Mouse | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 450 | 13 | 2 | 7 | 2.9 | COCc1cccc(c1)C[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCSCCCC(=O)OC)O | 10.1021/jm9018756 | ||
9803828 | 3331 | 25 | None | - | 1 | Mouse | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 450 | 13 | 2 | 7 | 2.9 | COCc1cccc(c1)C[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCSCCCC(=O)OC)O | 10.1021/jm9018756 | ||
CHEMBL303960 | 3331 | 25 | None | - | 1 | Mouse | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 450 | 13 | 2 | 7 | 2.9 | COCc1cccc(c1)C[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCSCCCC(=O)OC)O | 10.1021/jm9018756 | ||
DB16315 | 3331 | 25 | None | - | 1 | Mouse | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 450 | 13 | 2 | 7 | 2.9 | COCc1cccc(c1)C[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCSCCCC(=O)OC)O | 10.1021/jm9018756 | ||
58932683 | 75285 | 0 | None | 1995 | 2 | Rat | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 549 | 10 | 2 | 8 | 5.2 | Cc1ccc2nc(-c3cccc(C[C@H](O)/C=C/[C@H]4CCC(=O)N4CCSc4nc(C(=O)O)cs4)c3)oc2c1 | 10.1016/j.bmc.2012.04.008 | ||
CHEMBL2037289 | 75285 | 0 | None | 1995 | 2 | Rat | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 549 | 10 | 2 | 8 | 5.2 | Cc1ccc2nc(-c3cccc(C[C@H](O)/C=C/[C@H]4CCC(=O)N4CCSc4nc(C(=O)O)cs4)c3)oc2c1 | 10.1016/j.bmc.2012.04.008 | ||
8541 | 2942 | 2 | None | -42 | 4 | Mouse | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 436 | 13 | 3 | 6 | 2.8 | COCc1cccc(c1)C[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCSCCCC(=O)O)O | 10.1016/s0960-894x(01)00365-1 | ||
9824353 | 2942 | 2 | None | -42 | 4 | Mouse | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 436 | 13 | 3 | 6 | 2.8 | COCc1cccc(c1)C[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCSCCCC(=O)O)O | 10.1016/s0960-894x(01)00365-1 | ||
CHEMBL292964 | 2942 | 2 | None | -42 | 4 | Mouse | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 436 | 13 | 3 | 6 | 2.8 | COCc1cccc(c1)C[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCSCCCC(=O)O)O | 10.1016/s0960-894x(01)00365-1 | ||
44409733 | 140882 | 0 | None | 114 | 2 | Rat | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 401 | 10 | 2 | 4 | 3.8 | O=C(O)c1ccc(CCCN2C(=O)CC[C@@H]2CCC(O)Cc2ccccc2)s1 | 10.1016/j.bmcl.2006.01.018 | ||
CHEMBL382029 | 140882 | 0 | None | 114 | 2 | Rat | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 401 | 10 | 2 | 4 | 3.8 | O=C(O)c1ccc(CCCN2C(=O)CC[C@@H]2CCC(O)Cc2ccccc2)s1 | 10.1016/j.bmcl.2006.01.018 | ||
44289922 | 163522 | 0 | None | 4 | 2 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 339 | 13 | 2 | 3 | 3.5 | CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)N1CCCCCCC(=O)O | 10.1021/acs.jmedchem.9b00336 | ||
CHEMBL42027 | 163522 | 0 | None | 4 | 2 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 339 | 13 | 2 | 3 | 3.5 | CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)N1CCCCCCC(=O)O | 10.1021/acs.jmedchem.9b00336 | ||
10093793 | 69358 | 0 | None | - | 1 | Rat | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 423 | 12 | 2 | 5 | 3.8 | CCc1cccc(C[C@H](O)/C=C/[C@H]2CSC(=O)N2CCSCCCC(=O)O)c1 | 10.1016/j.bmc.2011.12.009 | ||
CHEMBL1929540 | 69358 | 0 | None | - | 1 | Rat | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 423 | 12 | 2 | 5 | 3.8 | CCc1cccc(C[C@H](O)/C=C/[C@H]2CSC(=O)N2CCSCCCC(=O)O)c1 | 10.1016/j.bmc.2011.12.009 | ||
11744126 | 69366 | 0 | None | - | 1 | Rat | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 443 | 11 | 2 | 3 | 5.0 | O=C(O)CCCCCCN1C(=S)CC[C@@H]1/C=C/[C@@H](O)Cc1cccc(C(F)(F)F)c1 | 10.1016/j.bmc.2011.12.009 | ||
CHEMBL1929548 | 69366 | 0 | None | - | 1 | Rat | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 443 | 11 | 2 | 3 | 5.0 | O=C(O)CCCCCCN1C(=S)CC[C@@H]1/C=C/[C@@H](O)Cc1cccc(C(F)(F)F)c1 | 10.1016/j.bmc.2011.12.009 | ||
56839342 | 149005 | 0 | None | 1 | 7 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 646 | 13 | 2 | 7 | 6.0 | O=C(CCc1ccc(Cl)cc1CN1CCC[C@H]1c1nc(C(=O)NCCCCC2CCCCC2)co1)NS(=O)(=O)C(F)(F)F | nan | ||
CHEMBL3942394 | 149005 | 0 | None | 1 | 7 | Human | 8.0 | pEC50 | = | 8 | 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 | ||
44304009 | 100734 | 0 | None | - | 1 | Mouse | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 482 | 15 | 3 | 7 | 3.3 | CCCOCc1cccc(C[C@H](O)/C=C/[C@H]2[C@H](O)CC(=O)[C@@H]2SCCCSCC(=O)O)c1 | 10.1016/s0960-894x(01)00364-x | ||
CHEMBL292717 | 100734 | 0 | None | - | 1 | Mouse | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 482 | 15 | 3 | 7 | 3.3 | CCCOCc1cccc(C[C@H](O)/C=C/[C@H]2[C@H](O)CC(=O)[C@@H]2SCCCSCC(=O)O)c1 | 10.1016/s0960-894x(01)00364-x | ||
21079282 | 165211 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 435 | 8 | 1 | 5 | 4.4 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC(=O)O)cc1OC)C2 | 10.1016/j.bmcl.2018.03.091 | ||
CHEMBL4229001 | 165211 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 435 | 8 | 1 | 5 | 4.4 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC(=O)O)cc1OC)C2 | 10.1016/j.bmcl.2018.03.091 | ||
44304334 | 201574 | 0 | None | - | 1 | Mouse | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 372 | 13 | 3 | 5 | 3.0 | CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CSCCCCC(=O)O | 10.1016/s0960-894x(01)00365-1 | ||
CHEMBL60555 | 201574 | 0 | None | - | 1 | Mouse | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 372 | 13 | 3 | 5 | 3.0 | CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CSCCCCC(=O)O | 10.1016/s0960-894x(01)00365-1 | ||
44304474 | 202929 | 0 | None | - | 1 | Mouse | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 372 | 13 | 3 | 5 | 3.0 | CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCSCCC(=O)O | 10.1016/s0960-894x(01)00365-1 | ||
CHEMBL62868 | 202929 | 0 | None | - | 1 | Mouse | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 372 | 13 | 3 | 5 | 3.0 | CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCSCCC(=O)O | 10.1016/s0960-894x(01)00365-1 | ||
57564500 | 151208 | 0 | None | -63 | 3 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 440 | 12 | 2 | 2 | 6.8 | CCCCCC(O)c1ccc([C@H]2[C@@H](Cl)C[C@@H](Cl)[C@@H]2C/C=C\CCCC(=O)O)cc1 | nan | ||
CHEMBL3959926 | 151208 | 0 | None | -63 | 3 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 440 | 12 | 2 | 2 | 6.8 | CCCCCC(O)c1ccc([C@H]2[C@@H](Cl)C[C@@H](Cl)[C@@H]2C/C=C\CCCC(=O)O)cc1 | nan | ||
44409920 | 140363 | 0 | None | - | 1 | Rat | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 463 | 10 | 2 | 3 | 4.7 | O=C(O)c1ccc(CCCN2C(=O)CC[C@@H]2CC[C@@H](O)Cc2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2006.01.018 | ||
CHEMBL380839 | 140363 | 0 | None | - | 1 | Rat | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 463 | 10 | 2 | 3 | 4.7 | O=C(O)c1ccc(CCCN2C(=O)CC[C@@H]2CC[C@@H](O)Cc2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2006.01.018 | ||
11255960 | 137863 | 0 | None | - | 1 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 329 | 11 | 2 | 4 | 2.3 | CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)N1CCSCC(=O)O | 10.1021/jm049290a | ||
CHEMBL376063 | 137863 | 0 | None | - | 1 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 329 | 11 | 2 | 4 | 2.3 | CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)N1CCSCC(=O)O | 10.1021/jm049290a | ||
10291963 | 84706 | 0 | None | 6 | 4 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 359 | 10 | 2 | 3 | 3.4 | CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)N1CCc1ccc(C(=O)O)cc1 | 10.1021/jm049290a | ||
CHEMBL222715 | 84706 | 0 | None | 6 | 4 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 359 | 10 | 2 | 3 | 3.4 | CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)N1CCc1ccc(C(=O)O)cc1 | 10.1021/jm049290a | ||
44400307 | 135608 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 467 | 12 | 3 | 4 | 5.6 | Cc1cc(O)ccc1-c1cccc([C@@H](O)CC[C@H]2CCCC(=O)N2CCCCCCC(=O)O)c1 | 10.1016/j.bmcl.2005.03.059 | ||
CHEMBL372926 | 135608 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 467 | 12 | 3 | 4 | 5.6 | Cc1cc(O)ccc1-c1cccc([C@@H](O)CC[C@H]2CCCC(=O)N2CCCCCCC(=O)O)c1 | 10.1016/j.bmcl.2005.03.059 | ||
10202765 | 172685 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 427 | 11 | 2 | 3 | 4.2 | O=C(O)CCCCCCN1C(=O)CC[C@@H]1/C=C/[C@@H](O)Cc1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2004.01.063 | ||
CHEMBL45008 | 172685 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 427 | 11 | 2 | 3 | 4.2 | O=C(O)CCCCCCN1C(=O)CC[C@@H]1/C=C/[C@@H](O)Cc1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2004.01.063 | ||
9981052 | 69351 | 0 | None | - | 1 | Rat | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 447 | 11 | 2 | 5 | 3.6 | O=C(O)CCCSCCN1C(=O)OC[C@@H]1/C=C/[C@@H](O)Cc1cccc(C(F)(F)F)c1 | 10.1016/j.bmc.2011.12.009 | ||
CHEMBL1929533 | 69351 | 0 | None | - | 1 | Rat | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 447 | 11 | 2 | 5 | 3.6 | O=C(O)CCCSCCN1C(=O)OC[C@@H]1/C=C/[C@@H](O)Cc1cccc(C(F)(F)F)c1 | 10.1016/j.bmc.2011.12.009 | ||
44303590 | 202909 | 0 | None | - | 1 | Mouse | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 468 | 14 | 3 | 7 | 2.6 | COCCc1cccc(C[C@H](O)/C=C/[C@H]2[C@H](O)CC(=O)[C@@H]2SCCCSCC(=O)O)c1 | 10.1016/s0960-894x(01)00364-x | ||
CHEMBL62779 | 202909 | 0 | None | - | 1 | Mouse | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 468 | 14 | 3 | 7 | 2.6 | COCCc1cccc(C[C@H](O)/C=C/[C@H]2[C@H](O)CC(=O)[C@@H]2SCCCSCC(=O)O)c1 | 10.1016/s0960-894x(01)00364-x | ||
10109445 | 85141 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 365 | 10 | 2 | 4 | 3.5 | CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)N1CCc1ccc(C(=O)O)s1 | 10.1021/jm049290a | ||
CHEMBL224970 | 85141 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 365 | 10 | 2 | 4 | 3.5 | CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)N1CCc1ccc(C(=O)O)s1 | 10.1021/jm049290a | ||
118517359 | 144394 | 0 | None | 79 | 4 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 456 | 8 | 2 | 3 | 4.8 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2cccc(Br)c2)cc1 | nan | ||
CHEMBL3906016 | 144394 | 0 | None | 79 | 4 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 456 | 8 | 2 | 3 | 4.8 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2cccc(Br)c2)cc1 | nan | ||
44289921 | 164369 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 365 | 11 | 2 | 3 | 3.9 | O=C(O)CCCCCCN1C(=O)CC[C@@H]1/C=C/[C@@H](O)CC1CCCCC1 | 10.1016/j.bmcl.2004.01.063 | ||
CHEMBL42129 | 164369 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 365 | 11 | 2 | 3 | 3.9 | O=C(O)CCCCCCN1C(=O)CC[C@@H]1/C=C/[C@@H](O)CC1CCCCC1 | 10.1016/j.bmcl.2004.01.063 | ||
10181299 | 164975 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 433 | 9 | 1 | 4 | 5.2 | CCCOc1c2c(c(OCCC)c3ccccc13)C(=O)N(c1ccc(CC(=O)O)cc1)C2 | 10.1016/j.bmcl.2018.03.091 | ||
CHEMBL4225442 | 164975 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 433 | 9 | 1 | 4 | 5.2 | CCCOc1c2c(c(OCCC)c3ccccc13)C(=O)N(c1ccc(CC(=O)O)cc1)C2 | 10.1016/j.bmcl.2018.03.091 | ||
67082748 | 164361 | 0 | None | -338 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 451 | 10 | 2 | 6 | 5.0 | C[C@@](O)(C/C=C/[C@H]1CCC(=O)[C@@H]1CCSc1nc(C(=O)O)cs1)CCC(F)(F)F | 10.1016/j.bmc.2017.11.035 | ||
CHEMBL4212770 | 164361 | 0 | None | -338 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 451 | 10 | 2 | 6 | 5.0 | C[C@@](O)(C/C=C/[C@H]1CCC(=O)[C@@H]1CCSc1nc(C(=O)O)cs1)CCC(F)(F)F | 10.1016/j.bmc.2017.11.035 | ||
118517454 | 154219 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 468 | 8 | 2 | 4 | 5.9 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2sc3ccccc3c2Cl)cc1 | nan | ||
CHEMBL3986027 | 154219 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 468 | 8 | 2 | 4 | 5.9 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2sc3ccccc3c2Cl)cc1 | nan | ||
10113454 | 177499 | 0 | None | 28 | 2 | Rat | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 429 | 12 | 2 | 3 | 4.4 | O=C(O)CCCCCCN1C(=O)CC[C@@H]1CC[C@@H](O)Cc1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2006.01.018 | ||
CHEMBL46395 | 177499 | 0 | None | 28 | 2 | Rat | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 429 | 12 | 2 | 3 | 4.4 | O=C(O)CCCCCCN1C(=O)CC[C@@H]1CC[C@@H](O)Cc1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2006.01.018 | ||
44290257 | 170238 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 451 | 11 | 3 | 4 | 5.0 | Cc1cc(O)ccc1-c1cccc(C(O)/C=C/[C@H]2CCC(=O)N2CCCCCCC(=O)O)c1 | 10.1016/j.bmcl.2004.01.063 | ||
CHEMBL444574 | 170238 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 451 | 11 | 3 | 4 | 5.0 | Cc1cc(O)ccc1-c1cccc(C(O)/C=C/[C@H]2CCC(=O)N2CCCCCCC(=O)O)c1 | 10.1016/j.bmcl.2004.01.063 | ||
156015440 | 177556 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 437 | 10 | 2 | 4 | 5.1 | CCCCCC(O)/C=C/c1c(Cl)cc(Cl)c(=O)n1CCc1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2020.127104 | ||
CHEMBL4640391 | 177556 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 437 | 10 | 2 | 4 | 5.1 | CCCCCC(O)/C=C/c1c(Cl)cc(Cl)c(=O)n1CCc1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2020.127104 | ||
57894092 | 75156 | 0 | None | - | 1 | Rat | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 494 | 12 | 2 | 6 | 4.5 | O=C(O)CCCSCCN1C(=O)CC[C@@H]1/C=C/[C@@H](O)Cc1cccc(-c2nc3ccccc3o2)c1 | 10.1016/j.bmc.2012.04.008 | ||
CHEMBL2036312 | 75156 | 0 | None | - | 1 | Rat | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 494 | 12 | 2 | 6 | 4.5 | O=C(O)CCCSCCN1C(=O)CC[C@@H]1/C=C/[C@@H](O)Cc1cccc(-c2nc3ccccc3o2)c1 | 10.1016/j.bmc.2012.04.008 | ||
57894053 | 75168 | 0 | None | 208 | 2 | Rat | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 551 | 10 | 2 | 8 | 5.4 | O=C(O)c1csc(SCCN2C(=O)CC[C@@H]2/C=C/[C@@H](O)Cc2cccc(-c3nc4ccccc4s3)c2)n1 | 10.1016/j.bmc.2012.04.008 | ||
CHEMBL2036324 | 75168 | 0 | None | 208 | 2 | Rat | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 551 | 10 | 2 | 8 | 5.4 | O=C(O)c1csc(SCCN2C(=O)CC[C@@H]2/C=C/[C@@H](O)Cc2cccc(-c3nc4ccccc4s3)c2)n1 | 10.1016/j.bmc.2012.04.008 | ||
44289968 | 100514 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 415 | 11 | 2 | 3 | 4.5 | O=C(O)CCCCCCN1C(=O)CC[C@@H]1CC[C@@H](O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2004.01.063 | ||
CHEMBL291182 | 100514 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 415 | 11 | 2 | 3 | 4.5 | O=C(O)CCCCCCN1C(=O)CC[C@@H]1CC[C@@H](O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2004.01.063 | ||
11405770 | 137906 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 361 | 11 | 2 | 3 | 3.6 | CCCCC[C@H](O)CC[C@H]1CCC(=O)N1CCc1ccc(C(=O)O)cc1 | 10.1021/jm049290a | ||
CHEMBL376347 | 137906 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 361 | 11 | 2 | 3 | 3.6 | CCCCC[C@H](O)CC[C@H]1CCC(=O)N1CCc1ccc(C(=O)O)cc1 | 10.1021/jm049290a | ||
44304403 | 169095 | 0 | None | - | 1 | Mouse | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 420 | 12 | 3 | 4 | 3.8 | COCc1cccc(C[C@H](O)/C=C/[C@H]2[C@H](O)C[C@@H](F)[C@@H]2C/C=C/CCCC(=O)O)c1 | 10.1016/s0960-894x(01)00365-1 | ||
CHEMBL439934 | 169095 | 0 | None | - | 1 | Mouse | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 420 | 12 | 3 | 4 | 3.8 | COCc1cccc(C[C@H](O)/C=C/[C@H]2[C@H](O)C[C@@H](F)[C@@H]2C/C=C/CCCC(=O)O)c1 | 10.1016/s0960-894x(01)00365-1 | ||
44269544 | 35250 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 359 | 11 | 2 | 3 | 3.2 | O=C(O)CCCCCCN1C(=O)CC[C@@H]1/C=C/C(O)Cc1ccccc1 | 10.1016/j.bmcl.2004.01.063 | ||
CHEMBL14359 | 35250 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 359 | 11 | 2 | 3 | 3.2 | O=C(O)CCCCCCN1C(=O)CC[C@@H]1/C=C/C(O)Cc1ccccc1 | 10.1016/j.bmcl.2004.01.063 | ||
118517451 | 152867 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 436 | 8 | 2 | 5 | 3.8 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2ccc3c(c2)OCCO3)cc1 | nan | ||
CHEMBL3974337 | 152867 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 436 | 8 | 2 | 5 | 3.8 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2ccc3c(c2)OCCO3)cc1 | nan | ||
66978356 | 163706 | 0 | None | -1698 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 425 | 12 | 2 | 6 | 5.2 | CCCCC[C@](C)(O)C/C=C/[C@H]1CCC(=O)[C@@H]1CCSc1nc(C(=O)O)cs1 | 10.1016/j.bmc.2017.11.035 | ||
CHEMBL4204996 | 163706 | 0 | None | -1698 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 425 | 12 | 2 | 6 | 5.2 | CCCCC[C@](C)(O)C/C=C/[C@H]1CCC(=O)[C@@H]1CCSc1nc(C(=O)O)cs1 | 10.1016/j.bmc.2017.11.035 | ||
44290263 | 101327 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 453 | 12 | 3 | 4 | 5.2 | Cc1cc(O)ccc1-c1cccc([C@H](O)CC[C@H]2CCC(=O)N2CCCCCCC(=O)O)c1 | 10.1016/j.bmcl.2004.01.063 | ||
CHEMBL296715 | 101327 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 453 | 12 | 3 | 4 | 5.2 | Cc1cc(O)ccc1-c1cccc([C@H](O)CC[C@H]2CCC(=O)N2CCCCCCC(=O)O)c1 | 10.1016/j.bmcl.2004.01.063 | ||
9975502 | 94487 | 0 | None | 14 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 355 | 9 | 1 | 2 | 4.6 | CCCC/C(C)=C/C=C/[C@H]1CCC(=O)N1CCc1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2007.05.025 | ||
CHEMBL251504 | 94487 | 0 | None | 14 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 355 | 9 | 1 | 2 | 4.6 | CCCC/C(C)=C/C=C/[C@H]1CCC(=O)N1CCc1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2007.05.025 | ||
56949974 | 69344 | 0 | None | - | 1 | Rat | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 403 | 13 | 2 | 4 | 3.3 | COCc1cccc(C[C@H](O)/C=C/[C@H]2CCC(=O)N2CCCCCCC(=O)O)c1 | 10.1016/j.bmc.2011.12.009 | ||
CHEMBL1929526 | 69344 | 0 | None | - | 1 | Rat | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 403 | 13 | 2 | 4 | 3.3 | COCc1cccc(C[C@H](O)/C=C/[C@H]2CCC(=O)N2CCCCCCC(=O)O)c1 | 10.1016/j.bmc.2011.12.009 | ||
57893982 | 75162 | 0 | None | 25 | 2 | Rat | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 508 | 10 | 2 | 6 | 5.1 | Cc1ccc(-c2cccc(C[C@H](O)/C=C/[C@H]3CCC(=O)N3CCSc3nc(C(=O)O)cs3)c2)cc1 | 10.1016/j.bmc.2012.04.008 | ||
CHEMBL2036318 | 75162 | 0 | None | 25 | 2 | Rat | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 508 | 10 | 2 | 6 | 5.1 | Cc1ccc(-c2cccc(C[C@H](O)/C=C/[C@H]3CCC(=O)N3CCSc3nc(C(=O)O)cs3)c2)cc1 | 10.1016/j.bmc.2012.04.008 | ||
57894063 | 75163 | 0 | None | 301 | 2 | Rat | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 524 | 11 | 2 | 7 | 4.8 | COc1ccc(-c2cccc(C[C@H](O)/C=C/[C@H]3CCC(=O)N3CCSc3nc(C(=O)O)cs3)c2)cc1 | 10.1016/j.bmc.2012.04.008 | ||
CHEMBL2036319 | 75163 | 0 | None | 301 | 2 | Rat | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 524 | 11 | 2 | 7 | 4.8 | COc1ccc(-c2cccc(C[C@H](O)/C=C/[C@H]3CCC(=O)N3CCSc3nc(C(=O)O)cs3)c2)cc1 | 10.1016/j.bmc.2012.04.008 | ||
11337782 | 84941 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 373 | 10 | 2 | 3 | 3.6 | O=C(O)c1ccc(CCN2C(=O)CC[C@@H]2CC[C@@H](O)CCC2CCC2)cc1 | 10.1021/jm049290a | ||
CHEMBL223744 | 84941 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 373 | 10 | 2 | 3 | 3.6 | O=C(O)c1ccc(CCN2C(=O)CC[C@@H]2CC[C@@H](O)CCC2CCC2)cc1 | 10.1021/jm049290a | ||
118517361 | 153368 | 0 | None | 107 | 3 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 446 | 8 | 2 | 3 | 5.1 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2cccc(C(F)(F)F)c2)cc1 | nan | ||
CHEMBL3978590 | 153368 | 0 | None | 107 | 3 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 446 | 8 | 2 | 3 | 5.1 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2cccc(C(F)(F)F)c2)cc1 | nan | ||
156014700 | 177198 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 417 | 13 | 2 | 4 | 5.1 | CCCCCC(O)/C=C/c1c(Cl)cc(Cl)c(=O)n1CCCCCCC(=O)O | 10.1016/j.bmcl.2020.127104 | ||
CHEMBL4635212 | 177198 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 417 | 13 | 2 | 4 | 5.1 | CCCCCC(O)/C=C/c1c(Cl)cc(Cl)c(=O)n1CCCCCCC(=O)O | 10.1016/j.bmcl.2020.127104 | ||
10457106 | 69355 | 0 | None | - | 1 | Rat | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 463 | 12 | 2 | 6 | 3.5 | O=C(O)CCCSCCN1C(=O)OC[C@@H]1/C=C/[C@@H](O)Cc1cccc(OC(F)(F)F)c1 | 10.1016/j.bmc.2011.12.009 | ||
CHEMBL1929537 | 69355 | 0 | None | - | 1 | Rat | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 463 | 12 | 2 | 6 | 3.5 | O=C(O)CCCSCCN1C(=O)OC[C@@H]1/C=C/[C@@H](O)Cc1cccc(OC(F)(F)F)c1 | 10.1016/j.bmc.2011.12.009 | ||
10414412 | 75164 | 0 | None | - | 1 | Rat | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 522 | 10 | 2 | 6 | 5.4 | Cc1ccc(-c2cccc(C[C@H](O)/C=C/[C@H]3CCC(=O)N3CCSc3nc(C(=O)O)cs3)c2)c(C)c1 | 10.1016/j.bmc.2012.04.008 | ||
CHEMBL2036320 | 75164 | 0 | None | - | 1 | Rat | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 522 | 10 | 2 | 6 | 5.4 | Cc1ccc(-c2cccc(C[C@H](O)/C=C/[C@H]3CCC(=O)N3CCSc3nc(C(=O)O)cs3)c2)c(C)c1 | 10.1016/j.bmc.2012.04.008 | ||
44304417 | 202108 | 0 | None | - | 1 | Mouse | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 438 | 13 | 3 | 4 | 4.3 | COCc1cccc(C[C@H](O)/C=C/[C@H]2[C@H](O)C[C@@H](Cl)[C@@H]2CCCCCCC(=O)O)c1 | 10.1016/s0960-894x(01)00365-1 | ||
CHEMBL60894 | 202108 | 0 | None | - | 1 | Mouse | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 438 | 13 | 3 | 4 | 4.3 | COCc1cccc(C[C@H](O)/C=C/[C@H]2[C@H](O)C[C@@H](Cl)[C@@H]2CCCCCCC(=O)O)c1 | 10.1016/s0960-894x(01)00365-1 | ||
44289792 | 169160 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 427 | 11 | 2 | 3 | 4.2 | O=C(O)CCCCCCN1C(=O)CC[C@@H]1/C=C/C(O)Cc1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2004.01.063 | ||
CHEMBL440474 | 169160 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 427 | 11 | 2 | 3 | 4.2 | O=C(O)CCCCCCN1C(=O)CC[C@@H]1/C=C/C(O)Cc1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2004.01.063 | ||
9885106 | 84771 | 0 | None | -8 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 357 | 13 | 2 | 4 | 3.1 | CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)N1CCSCCCC(=O)O | 10.1021/jm049290a | ||
CHEMBL223151 | 84771 | 0 | None | -8 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 357 | 13 | 2 | 4 | 3.1 | CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)N1CCSCCCC(=O)O | 10.1021/jm049290a | ||
44409902 | 74744 | 0 | None | - | 1 | Rat | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 377 | 12 | 3 | 4 | 3.1 | O=C(O)CCCCCCN1C(=O)CC[C@@H]1CC[C@@H](O)Cc1cccc(O)c1 | 10.1016/j.bmcl.2006.01.018 | ||
CHEMBL203076 | 74744 | 0 | None | - | 1 | Rat | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 377 | 12 | 3 | 4 | 3.1 | O=C(O)CCCCCCN1C(=O)CC[C@@H]1CC[C@@H](O)Cc1cccc(O)c1 | 10.1016/j.bmcl.2006.01.018 | ||
44290271 | 179046 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 455 | 11 | 2 | 3 | 5.6 | O=C(O)CCCCCCN1C(=O)CC[C@@H]1/C=C/C(O)c1cccc(-c2cccc(Cl)c2)c1 | 10.1016/j.bmcl.2004.01.063 | ||
CHEMBL47138 | 179046 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 455 | 11 | 2 | 3 | 5.6 | O=C(O)CCCCCCN1C(=O)CC[C@@H]1/C=C/C(O)c1cccc(-c2cccc(Cl)c2)c1 | 10.1016/j.bmcl.2004.01.063 | ||
44304055 | 102721 | 0 | None | - | 1 | Mouse | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 390 | 13 | 3 | 6 | 2.7 | CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1SCCSCCC(=O)O | 10.1016/s0960-894x(01)00364-x | ||
CHEMBL304887 | 102721 | 0 | None | - | 1 | Mouse | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 390 | 13 | 3 | 6 | 2.7 | CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1SCCSCCC(=O)O | 10.1016/s0960-894x(01)00364-x | ||
10002871 | 68517 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 431 | 12 | 3 | 4 | 4.4 | CC(C)c1cc(C[C@H](O)/C=C/[C@H]2CCCC(=O)N2CCCCCCC(=O)O)ccc1O | 10.1016/j.bmcl.2005.03.059 | ||
CHEMBL191748 | 68517 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 431 | 12 | 3 | 4 | 4.4 | CC(C)c1cc(C[C@H](O)/C=C/[C@H]2CCCC(=O)N2CCCCCCC(=O)O)ccc1O | 10.1016/j.bmcl.2005.03.059 | ||
44409742 | 76191 | 0 | None | - | 1 | Rat | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 405 | 14 | 2 | 4 | 3.5 | COCc1cccc(C[C@H](O)CC[C@H]2CCC(=O)N2CCCCCCC(=O)O)c1 | 10.1016/j.bmcl.2006.01.018 | ||
CHEMBL205819 | 76191 | 0 | None | - | 1 | Rat | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 405 | 14 | 2 | 4 | 3.5 | COCc1cccc(C[C@H](O)CC[C@H]2CCC(=O)N2CCCCCCC(=O)O)c1 | 10.1016/j.bmcl.2006.01.018 | ||
10092823 | 69349 | 0 | None | - | 1 | Rat | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 407 | 12 | 2 | 5 | 3.1 | CCc1cccc(C[C@H](O)/C=C/[C@H]2COC(=O)N2CCSCCCC(=O)O)c1 | 10.1016/j.bmc.2011.12.009 | ||
CHEMBL1929531 | 69349 | 0 | None | - | 1 | Rat | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 407 | 12 | 2 | 5 | 3.1 | CCc1cccc(C[C@H](O)/C=C/[C@H]2COC(=O)N2CCSCCCC(=O)O)c1 | 10.1016/j.bmc.2011.12.009 | ||
118517489 | 143689 | 0 | None | 18 | 3 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 414 | 8 | 2 | 3 | 4.4 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2cc(F)ccc2F)cc1 | nan | ||
CHEMBL3900245 | 143689 | 0 | None | 18 | 3 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 414 | 8 | 2 | 3 | 4.4 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2cc(F)ccc2F)cc1 | nan | ||
11696697 | 99030 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 385 | 11 | 2 | 3 | 3.7 | O=C(O)CCCCCCN1C(=O)CC[C@@H]1/C=C/C(O)C1(c2ccccc2)CC1 | 10.1016/j.bmcl.2004.01.063 | ||
CHEMBL280223 | 99030 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 385 | 11 | 2 | 3 | 3.7 | O=C(O)CCCCCCN1C(=O)CC[C@@H]1/C=C/C(O)C1(c2ccccc2)CC1 | 10.1016/j.bmcl.2004.01.063 | ||
10159697 | 136431 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 429 | 11 | 2 | 4 | 3.0 | O=C(O)COCCCCN1C(=O)CC[C@@H]1/C=C/[C@@H](O)Cc1cccc(C(F)(F)F)c1 | 10.1021/jm049290a | ||
CHEMBL373558 | 136431 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 429 | 11 | 2 | 4 | 3.0 | O=C(O)COCCCCN1C(=O)CC[C@@H]1/C=C/[C@@H](O)Cc1cccc(C(F)(F)F)c1 | 10.1021/jm049290a | ||
118517454 | 154219 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 468 | 8 | 2 | 4 | 5.9 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2sc3ccccc3c2Cl)cc1 | nan | ||
CHEMBL3986027 | 154219 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 468 | 8 | 2 | 4 | 5.9 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2sc3ccccc3c2Cl)cc1 | nan | ||
57894065 | 75159 | 0 | None | - | 1 | Rat | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 484 | 14 | 2 | 6 | 3.7 | O=C(O)CCCSCCN1C(=O)CC[C@@H]1/C=C/[C@@H](O)Cc1cccc(OCc2cccnc2)c1 | 10.1016/j.bmc.2012.04.008 | ||
CHEMBL2036315 | 75159 | 0 | None | - | 1 | Rat | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 484 | 14 | 2 | 6 | 3.7 | O=C(O)CCCSCCN1C(=O)CC[C@@H]1/C=C/[C@@H](O)Cc1cccc(OCc2cccnc2)c1 | 10.1016/j.bmc.2012.04.008 | ||
56839536 | 143167 | 0 | None | -1 | 7 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 604 | 15 | 2 | 7 | 5.1 | CCCCCCCCNC(=O)c1coc([C@@H]2CCCN2Cc2cc(F)ccc2CCC(=O)NS(=O)(=O)C(F)(F)F)n1 | nan | ||
CHEMBL3896035 | 143167 | 0 | None | -1 | 7 | Human | 7.7 | pEC50 | = | 7.7 | 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 | ||
72706947 | 174662 | 20 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 363 | 11 | 2 | 3 | 3.4 | CCC#CC[C@H](C)[C@H](O)/C=C/[C@H]1CCC(=O)N1CCCCCCC(=O)O | 10.1021/acs.jmedchem.9b00336 | ||
CHEMBL4558749 | 174662 | 20 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 363 | 11 | 2 | 3 | 3.4 | CCC#CC[C@H](C)[C@H](O)/C=C/[C@H]1CCC(=O)N1CCCCCCC(=O)O | 10.1021/acs.jmedchem.9b00336 | ||
9931112 | 164999 | 3 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 405 | 7 | 1 | 4 | 4.4 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC(=O)O)cc1)C2 | 10.1016/j.bmcl.2018.03.091 | ||
CHEMBL4225786 | 164999 | 3 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 405 | 7 | 1 | 4 | 4.4 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC(=O)O)cc1)C2 | 10.1016/j.bmcl.2018.03.091 | ||
24945854 | 165012 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 433 | 7 | 1 | 5 | 4.4 | CCOc1c2c(c(OCC)c3cc(C)ccc13)C(=O)N(c1ccc(CC(=O)O)cc1)C2=O | 10.1016/j.bmcl.2018.03.091 | ||
CHEMBL4225963 | 165012 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 433 | 7 | 1 | 5 | 4.4 | CCOc1c2c(c(OCC)c3cc(C)ccc13)C(=O)N(c1ccc(CC(=O)O)cc1)C2=O | 10.1016/j.bmcl.2018.03.091 | ||
9907375 | 68277 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 369 | 12 | 2 | 4 | 3.1 | O=C(O)CCCSCCN1C(=O)CCC[C@@H]1/C=C/[C@@H](O)CCC1CC1 | 10.1016/j.bmcl.2005.03.059 | ||
CHEMBL191627 | 68277 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 369 | 12 | 2 | 4 | 3.1 | O=C(O)CCCSCCN1C(=O)CCC[C@@H]1/C=C/[C@@H](O)CCC1CC1 | 10.1016/j.bmcl.2005.03.059 | ||
127052614 | 140224 | 0 | None | -489 | 6 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 415 | 7 | 2 | 6 | 4.1 | O=C(O)c1csc([C@H]2CC[C@H]3[C@H](C[C@@H](O)[C@@H]3/C=C/CCOc3ccccc3)O2)n1 | 10.1021/acsmedchemlett.5b00455 | ||
CHEMBL3805176 | 140224 | 0 | None | -489 | 6 | Human | 5.7 | pEC50 | = | 5.7 | 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 | ||
44409712 | 77338 | 0 | None | - | 1 | Rat | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 437 | 13 | 2 | 3 | 5.1 | O=C(O)CCCCCCN1C(=O)CC[C@@H]1CC[C@@H](O)Cc1cccc(-c2ccccc2)c1 | 10.1016/j.bmcl.2006.01.018 | ||
CHEMBL208399 | 77338 | 0 | None | - | 1 | Rat | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 437 | 13 | 2 | 3 | 5.1 | O=C(O)CCCCCCN1C(=O)CC[C@@H]1CC[C@@H](O)Cc1cccc(-c2ccccc2)c1 | 10.1016/j.bmcl.2006.01.018 | ||
90054519 | 151984 | 0 | None | 3 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 477 | 11 | 2 | 4 | 4.8 | C[C@@H](CCc1ccccc1)[C@@H](O)/C=C/[C@H]1CC(F)(F)C(=O)N1CCCc1ccc(C(=O)O)s1 | nan | ||
CHEMBL3966743 | 151984 | 0 | None | 3 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 477 | 11 | 2 | 4 | 4.8 | C[C@@H](CCc1ccccc1)[C@@H](O)/C=C/[C@H]1CC(F)(F)C(=O)N1CCCc1ccc(C(=O)O)s1 | nan | ||
10276417 | 165101 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 461 | 11 | 1 | 4 | 6.0 | CCCCOc1c2c(c(OCCCC)c3ccccc13)C(=O)N(c1ccc(CC(=O)O)cc1)C2 | 10.1016/j.bmcl.2018.03.091 | ||
CHEMBL4227243 | 165101 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 461 | 11 | 1 | 4 | 6.0 | CCCCOc1c2c(c(OCCCC)c3ccccc13)C(=O)N(c1ccc(CC(=O)O)cc1)C2 | 10.1016/j.bmcl.2018.03.091 | ||
21079296 | 165197 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 391 | 5 | 1 | 5 | 3.3 | COc1c2c(c(OC)c3ccccc13)C(=O)N(c1ccc(CC(=O)O)cc1)C2=O | 10.1016/j.bmcl.2018.03.091 | ||
CHEMBL4228762 | 165197 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 391 | 5 | 1 | 5 | 3.3 | COc1c2c(c(OC)c3ccccc13)C(=O)N(c1ccc(CC(=O)O)cc1)C2=O | 10.1016/j.bmcl.2018.03.091 | ||
44442332 | 94525 | 0 | None | 97 | 2 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 341 | 9 | 1 | 2 | 4.2 | CCCC/C=C\C=C\[C@H]1CCC(=O)N1CCc1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2007.05.025 | ||
CHEMBL251709 | 94525 | 0 | None | 97 | 2 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 341 | 9 | 1 | 2 | 4.2 | CCCC/C=C\C=C\[C@H]1CCC(=O)N1CCc1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2007.05.025 | ||
9885106 | 84771 | 0 | None | 8 | 2 | Rat | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 357 | 13 | 2 | 4 | 3.1 | CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)N1CCSCCCC(=O)O | 10.1016/j.bmc.2012.02.018 | ||
CHEMBL223151 | 84771 | 0 | None | 8 | 2 | Rat | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 357 | 13 | 2 | 4 | 3.1 | CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)N1CCSCCCC(=O)O | 10.1016/j.bmc.2012.02.018 | ||
118517360 | 143973 | 0 | None | 61 | 3 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 412 | 8 | 2 | 3 | 4.7 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2cccc(Cl)c2)cc1 | nan | ||
CHEMBL3902700 | 143973 | 0 | None | 61 | 3 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 412 | 8 | 2 | 3 | 4.7 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2cccc(Cl)c2)cc1 | nan | ||
118517484 | 146090 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 458 | 9 | 2 | 4 | 5.2 | COc1ccc2ccc(CC(O)/C=C/[C@H]3CCC(=O)[C@@H]3CCc3ccc(C(=O)O)cc3)cc2c1 | nan | ||
CHEMBL3919302 | 146090 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 458 | 9 | 2 | 4 | 5.2 | COc1ccc2ccc(CC(O)/C=C/[C@H]3CCC(=O)[C@@H]3CCc3ccc(C(=O)O)cc3)cc2c1 | nan | ||
57893848 | 75167 | 0 | None | 724 | 2 | Rat | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 535 | 10 | 2 | 8 | 4.9 | O=C(O)c1csc(SCCN2C(=O)CC[C@@H]2/C=C/[C@@H](O)Cc2cccc(-c3nc4ccccc4o3)c2)n1 | 10.1016/j.bmc.2012.04.008 | ||
CHEMBL2036323 | 75167 | 0 | None | 724 | 2 | Rat | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 535 | 10 | 2 | 8 | 4.9 | O=C(O)c1csc(SCCN2C(=O)CC[C@@H]2/C=C/[C@@H](O)Cc2cccc(-c3nc4ccccc4o3)c2)n1 | 10.1016/j.bmc.2012.04.008 | ||
44409917 | 139248 | 0 | None | 102 | 2 | Rat | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 419 | 10 | 2 | 4 | 3.9 | O=C(O)c1ccc(CCCN2C(=O)CC[C@@H]2CCC(O)Cc2cccc(F)c2)s1 | 10.1016/j.bmcl.2006.01.018 | ||
CHEMBL378968 | 139248 | 0 | None | 102 | 2 | Rat | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 419 | 10 | 2 | 4 | 3.9 | O=C(O)c1ccc(CCCN2C(=O)CC[C@@H]2CCC(O)Cc2cccc(F)c2)s1 | 10.1016/j.bmcl.2006.01.018 | ||
11743927 | 69362 | 0 | None | - | 1 | Rat | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 439 | 13 | 2 | 6 | 3.4 | COCc1cccc(C[C@H](O)/C=C/[C@H]2CSC(=O)N2CCSCCCC(=O)O)c1 | 10.1016/j.bmc.2011.12.009 | ||
CHEMBL1929544 | 69362 | 0 | None | - | 1 | Rat | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 439 | 13 | 2 | 6 | 3.4 | COCc1cccc(C[C@H](O)/C=C/[C@H]2CSC(=O)N2CCSCCCC(=O)O)c1 | 10.1016/j.bmc.2011.12.009 | ||
5859 | 3765 | 26 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 383 | 11 | 2 | 5 | 2.5 | O[C@@H](Cc1ccccc1)/C=C/[C@H]1CCC(=O)N1CCCCCCc1nnn[nH]1 | 10.1016/s0960-894x(03)00042-8 | ||
9864831 | 3765 | 26 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 383 | 11 | 2 | 5 | 2.5 | O[C@@H](Cc1ccccc1)/C=C/[C@H]1CCC(=O)N1CCCCCCc1nnn[nH]1 | 10.1016/s0960-894x(03)00042-8 | ||
CHEMBL275667 | 3765 | 26 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 383 | 11 | 2 | 5 | 2.5 | O[C@@H](Cc1ccccc1)/C=C/[C@H]1CCC(=O)N1CCCCCCc1nnn[nH]1 | 10.1016/s0960-894x(03)00042-8 | ||
138 | 3079 | 88 | None | -1 | 10 | Mouse | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | 10.1016/s0960-894x(01)00365-1 | ||
149351 | 3079 | 88 | None | -1 | 10 | Mouse | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | 10.1016/s0960-894x(01)00365-1 | ||
1882 | 3079 | 88 | None | -1 | 10 | Mouse | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | 10.1016/s0960-894x(01)00365-1 | ||
5280723 | 3079 | 88 | None | -1 | 10 | Mouse | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | 10.1016/s0960-894x(01)00365-1 | ||
CHEMBL495 | 3079 | 88 | None | -1 | 10 | Mouse | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | 10.1016/s0960-894x(01)00365-1 | ||
DB00770 | 3079 | 88 | None | -1 | 10 | Mouse | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | 10.1016/s0960-894x(01)00365-1 | ||
138 | 3079 | 88 | None | -1 | 10 | Mouse | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | 10.1016/s0960-894x(01)00364-x | ||
149351 | 3079 | 88 | None | -1 | 10 | Mouse | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | 10.1016/s0960-894x(01)00364-x | ||
1882 | 3079 | 88 | None | -1 | 10 | Mouse | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | 10.1016/s0960-894x(01)00364-x | ||
5280723 | 3079 | 88 | None | -1 | 10 | Mouse | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | 10.1016/s0960-894x(01)00364-x | ||
CHEMBL495 | 3079 | 88 | None | -1 | 10 | Mouse | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | 10.1016/s0960-894x(01)00364-x | ||
DB00770 | 3079 | 88 | None | -1 | 10 | Mouse | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | 10.1016/s0960-894x(01)00364-x | ||
10367369 | 203245 | 0 | None | - | 1 | Mouse | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 468 | 14 | 3 | 7 | 2.9 | CCOCc1cccc(C[C@H](O)/C=C/[C@H]2[C@H](O)CC(=O)[C@@H]2SCCCSCC(=O)O)c1 | 10.1016/s0960-894x(01)00364-x | ||
CHEMBL64557 | 203245 | 0 | None | - | 1 | Mouse | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 468 | 14 | 3 | 7 | 2.9 | CCOCc1cccc(C[C@H](O)/C=C/[C@H]2[C@H](O)CC(=O)[C@@H]2SCCCSCC(=O)O)c1 | 10.1016/s0960-894x(01)00364-x | ||
10113129 | 69314 | 0 | None | - | 1 | Rabbit | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 424 | 7 | 3 | 6 | 3.1 | O[C@H](/C=C/[C@@H]1[C@H]2c3cccc(CCc4nnn[nH]4)c3O[C@H]2C[C@H]1O)CC1CCCCC1 | 10.1016/j.bmcl.2011.09.004 | ||
CHEMBL1928220 | 69314 | 0 | None | - | 1 | Rabbit | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 424 | 7 | 3 | 6 | 3.1 | O[C@H](/C=C/[C@@H]1[C@H]2c3cccc(CCc4nnn[nH]4)c3O[C@H]2C[C@H]1O)CC1CCCCC1 | 10.1016/j.bmcl.2011.09.004 | ||
12521 | 2195 | 0 | None | 23988 | 2 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 399 | 11 | 2 | 3 | 3.6 | FC1(C(N([C@H](C1)/C=C/[C@H]([C@H](CC#CCC)C)O)CCCCCCC(=O)O)=O)F | 10.1021/acs.jmedchem.9b00336 | ||
72722131 | 2195 | 0 | None | 23988 | 2 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 399 | 11 | 2 | 3 | 3.6 | FC1(C(N([C@H](C1)/C=C/[C@H]([C@H](CC#CCC)C)O)CCCCCCC(=O)O)=O)F | 10.1021/acs.jmedchem.9b00336 | ||
CHEMBL3918816 | 2195 | 0 | None | 23988 | 2 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 399 | 11 | 2 | 3 | 3.6 | FC1(C(N([C@H](C1)/C=C/[C@H]([C@H](CC#CCC)C)O)CCCCCCC(=O)O)=O)F | 10.1021/acs.jmedchem.9b00336 | ||
10410111 | 102839 | 0 | None | - | 1 | Mouse | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 424 | 11 | 3 | 6 | 2.7 | Cc1cccc(C[C@H](O)/C=C/[C@H]2[C@H](O)CC(=O)[C@@H]2SCCCSCC(=O)O)c1 | 10.1016/s0960-894x(01)00364-x | ||
CHEMBL305568 | 102839 | 0 | None | - | 1 | Mouse | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 424 | 11 | 3 | 6 | 2.7 | Cc1cccc(C[C@H](O)/C=C/[C@H]2[C@H](O)CC(=O)[C@@H]2SCCCSCC(=O)O)c1 | 10.1016/s0960-894x(01)00364-x | ||
9910141 | 100873 | 0 | None | - | 1 | Mouse | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 422 | 11 | 4 | 6 | 2.7 | Cc1cc(C[C@H](O)/C=C/[C@H]2[C@H](O)CC(=O)[C@@H]2CCSCCCC(=O)O)ccc1O | 10.1016/s0960-894x(01)00365-1 | ||
CHEMBL293647 | 100873 | 0 | None | - | 1 | Mouse | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 422 | 11 | 4 | 6 | 2.7 | Cc1cc(C[C@H](O)/C=C/[C@H]2[C@H](O)CC(=O)[C@@H]2CCSCCCC(=O)O)ccc1O | 10.1016/s0960-894x(01)00365-1 | ||
44290267 | 162193 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 337 | 11 | 2 | 3 | 3.1 | O=C(O)CCCCCCN1C(=O)CC[C@@H]1/C=C/[C@@H](O)CC1CCC1 | 10.1016/j.bmcl.2004.01.063 | ||
CHEMBL416262 | 162193 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 337 | 11 | 2 | 3 | 3.1 | O=C(O)CCCCCCN1C(=O)CC[C@@H]1/C=C/[C@@H](O)CC1CCC1 | 10.1016/j.bmcl.2004.01.063 | ||
44409910 | 140907 | 0 | None | 1 | 4 | Rat | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 477 | 11 | 2 | 4 | 5.4 | O=C(O)c1ccc(CCCN2C(=O)CC[C@@H]2CCC(O)Cc2cccc(-c3ccccc3)c2)s1 | 10.1016/j.bmcl.2006.01.018 | ||
CHEMBL382197 | 140907 | 0 | None | 1 | 4 | Rat | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 477 | 11 | 2 | 4 | 5.4 | O=C(O)c1ccc(CCCN2C(=O)CC[C@@H]2CCC(O)Cc2cccc(-c3ccccc3)c2)s1 | 10.1016/j.bmcl.2006.01.018 | ||
10089562 | 154420 | 0 | None | 1 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 355 | 9 | 1 | 2 | 4.6 | CCCC/C=C(C)/C=C/[C@H]1CCC(=O)N1CCc1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2007.05.025 | ||
CHEMBL398948 | 154420 | 0 | None | 1 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 355 | 9 | 1 | 2 | 4.6 | CCCC/C=C(C)/C=C/[C@H]1CCC(=O)N1CCc1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2007.05.025 | ||
10481859 | 75165 | 0 | None | 67 | 2 | Rat | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 522 | 10 | 2 | 6 | 5.4 | Cc1ccc(-c2cccc(C[C@H](O)/C=C/[C@H]3CCC(=O)N3CCSc3nc(C(=O)O)cs3)c2)cc1C | 10.1016/j.bmc.2012.04.008 | ||
CHEMBL2036321 | 75165 | 0 | None | 67 | 2 | Rat | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 522 | 10 | 2 | 6 | 5.4 | Cc1ccc(-c2cccc(C[C@H](O)/C=C/[C@H]3CCC(=O)N3CCSc3nc(C(=O)O)cs3)c2)cc1C | 10.1016/j.bmc.2012.04.008 | ||
118510801 | 150998 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 428 | 8 | 2 | 3 | 5.2 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2ccc3ccccc3c2)cc1 | nan | ||
CHEMBL3958395 | 150998 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 428 | 8 | 2 | 3 | 5.2 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2ccc3ccccc3c2)cc1 | nan | ||
118517490 | 153153 | 0 | None | 12 | 4 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 414 | 8 | 2 | 3 | 4.4 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2ccc(F)c(F)c2)cc1 | nan | ||
CHEMBL3976710 | 153153 | 0 | None | 12 | 4 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 414 | 8 | 2 | 3 | 4.4 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2ccc(F)c(F)c2)cc1 | nan | ||
10268898 | 84562 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 341 | 13 | 2 | 4 | 2.4 | CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)N1CCCCOCC(=O)O | 10.1021/jm049290a | ||
CHEMBL222085 | 84562 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 341 | 13 | 2 | 4 | 2.4 | CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)N1CCCCOCC(=O)O | 10.1021/jm049290a | ||
24771583 | 68641 | 0 | None | - | 1 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 465 | 12 | 2 | 4 | 5.7 | Cc1cc(O)ccc1-c1cccc(C(=O)CC[C@H]2CCCC(=O)N2CCCCCCC(=O)O)c1 | 10.1016/j.bmcl.2005.03.059 | ||
CHEMBL191874 | 68641 | 0 | None | - | 1 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 465 | 12 | 2 | 4 | 5.7 | Cc1cc(O)ccc1-c1cccc(C(=O)CC[C@H]2CCCC(=O)N2CCCCCCC(=O)O)c1 | 10.1016/j.bmcl.2005.03.059 | ||
44409907 | 77048 | 0 | None | 30 | 2 | Rat | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 419 | 10 | 2 | 4 | 3.9 | O=C(O)c1ccc(CCCN2C(=O)CC[C@@H]2CC[C@@H](O)Cc2ccc(F)cc2)s1 | 10.1016/j.bmcl.2006.01.018 | ||
CHEMBL207237 | 77048 | 0 | None | 30 | 2 | Rat | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 419 | 10 | 2 | 4 | 3.9 | O=C(O)c1ccc(CCCN2C(=O)CC[C@@H]2CC[C@@H](O)Cc2ccc(F)cc2)s1 | 10.1016/j.bmcl.2006.01.018 | ||
11955293 | 149839 | 0 | None | -1 | 2 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 394 | 8 | 2 | 4 | 4.3 | COC(=O)CCCCCC[C@@H]1[C@@H](c2ccc3c(c2)CCC3O)[C@H](O)C[C@H]1Cl | nan | ||
CHEMBL3948932 | 149839 | 0 | None | -1 | 2 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 394 | 8 | 2 | 4 | 4.3 | COC(=O)CCCCCC[C@@H]1[C@@H](c2ccc3c(c2)CCC3O)[C@H](O)C[C@H]1Cl | nan | ||
11338951 | 69353 | 0 | None | - | 1 | Rat | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 413 | 11 | 2 | 5 | 3.2 | O=C(O)CCCSCCN1C(=O)OC[C@@H]1/C=C/[C@@H](O)Cc1cccc(Cl)c1 | 10.1016/j.bmc.2011.12.009 | ||
CHEMBL1929535 | 69353 | 0 | None | - | 1 | Rat | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 413 | 11 | 2 | 5 | 3.2 | O=C(O)CCCSCCN1C(=O)OC[C@@H]1/C=C/[C@@H](O)Cc1cccc(Cl)c1 | 10.1016/j.bmc.2011.12.009 | ||
10410053 | 69356 | 0 | None | - | 1 | Rat | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 423 | 13 | 2 | 6 | 2.7 | COCc1cccc(C[C@H](O)/C=C/[C@H]2COC(=O)N2CCSCCCC(=O)O)c1 | 10.1016/j.bmc.2011.12.009 | ||
CHEMBL1929538 | 69356 | 0 | None | - | 1 | Rat | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 423 | 13 | 2 | 6 | 2.7 | COCc1cccc(C[C@H](O)/C=C/[C@H]2COC(=O)N2CCSCCCC(=O)O)c1 | 10.1016/j.bmc.2011.12.009 | ||
10223809 | 164941 | 5 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 419 | 7 | 1 | 5 | 4.1 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC(=O)O)cc1)C2=O | 10.1016/j.bmcl.2018.03.091 | ||
CHEMBL4224936 | 164941 | 5 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 419 | 7 | 1 | 5 | 4.1 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC(=O)O)cc1)C2=O | 10.1016/j.bmcl.2018.03.091 | ||
21079276 | 165079 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 391 | 7 | 1 | 4 | 4.8 | CCOc1c2c(c(OCC)c3ccccc13)CN(c1ccc(CC(=O)O)cc1)C2 | 10.1016/j.bmcl.2018.03.091 | ||
CHEMBL4226984 | 165079 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 391 | 7 | 1 | 4 | 4.8 | CCOc1c2c(c(OCC)c3ccccc13)CN(c1ccc(CC(=O)O)cc1)C2 | 10.1016/j.bmcl.2018.03.091 | ||
67082722 | 164626 | 0 | None | -380 | 3 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 425 | 12 | 2 | 6 | 5.2 | CCCCC[C@@](C)(O)C/C=C/[C@H]1CCC(=O)[C@@H]1CCSc1nc(C(=O)O)cs1 | 10.1016/j.bmc.2017.11.035 | ||
CHEMBL4216182 | 164626 | 0 | None | -380 | 3 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 425 | 12 | 2 | 6 | 5.2 | CCCCC[C@@](C)(O)C/C=C/[C@H]1CCC(=O)[C@@H]1CCSc1nc(C(=O)O)cs1 | 10.1016/j.bmc.2017.11.035 | ||
10000670 | 69367 | 0 | None | - | 1 | Rat | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 393 | 11 | 2 | 3 | 4.1 | O=C(O)CCCCCCN1C(=S)CC[C@@H]1/C=C/[C@@H](O)Cc1cccc(F)c1 | 10.1016/j.bmc.2011.12.009 | ||
CHEMBL1929549 | 69367 | 0 | None | - | 1 | Rat | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 393 | 11 | 2 | 3 | 4.1 | O=C(O)CCCCCCN1C(=S)CC[C@@H]1/C=C/[C@@H](O)Cc1cccc(F)c1 | 10.1016/j.bmc.2011.12.009 | ||
145971909 | 164698 | 0 | None | -389 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 411 | 11 | 2 | 6 | 4.8 | CCCC[C@](C)(O)C/C=C/[C@H]1CCC(=O)[C@@H]1CCSc1nc(C(=O)O)cs1 | 10.1016/j.bmc.2017.11.035 | ||
CHEMBL4217198 | 164698 | 0 | None | -389 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 411 | 11 | 2 | 6 | 4.8 | CCCC[C@](C)(O)C/C=C/[C@H]1CCC(=O)[C@@H]1CCSc1nc(C(=O)O)cs1 | 10.1016/j.bmc.2017.11.035 | ||
44400318 | 69188 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 417 | 11 | 2 | 4 | 3.6 | O=C(O)CCCSCCN1C(=O)CCC[C@@H]1/C=C/C(O)C1(c2ccccc2)CC1 | 10.1016/j.bmcl.2005.03.059 | ||
CHEMBL192655 | 69188 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 417 | 11 | 2 | 4 | 3.6 | O=C(O)CCCSCCN1C(=O)CCC[C@@H]1/C=C/C(O)C1(c2ccccc2)CC1 | 10.1016/j.bmcl.2005.03.059 | ||
145977227 | 164005 | 0 | None | -2630 | 4 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 437 | 10 | 2 | 6 | 5.2 | C[C@@](O)(C/C=C/[C@H]1CCC(=O)[C@@H]1CCSc1nc(C(=O)O)cs1)CC1CCCC1 | 10.1016/j.bmc.2017.11.035 | ||
CHEMBL4208379 | 164005 | 0 | None | -2630 | 4 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 437 | 10 | 2 | 6 | 5.2 | C[C@@](O)(C/C=C/[C@H]1CCC(=O)[C@@H]1CCSc1nc(C(=O)O)cs1)CC1CCCC1 | 10.1016/j.bmc.2017.11.035 | ||
57384034 | 71305 | 0 | None | 9 | 2 | Rat | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 528 | 10 | 2 | 6 | 5.4 | O=C(O)c1csc(SCCN2C(=O)CC[C@@H]2/C=C/[C@@H](O)Cc2cccc(-c3ccc(Cl)cc3)c2)n1 | 10.1016/j.bmc.2012.02.018 | ||
CHEMBL1957436 | 71305 | 0 | None | 9 | 2 | Rat | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 528 | 10 | 2 | 6 | 5.4 | O=C(O)c1csc(SCCN2C(=O)CC[C@@H]2/C=C/[C@@H](O)Cc2cccc(-c3ccc(Cl)cc3)c2)n1 | 10.1016/j.bmc.2012.02.018 | ||
10319835 | 69365 | 0 | None | - | 1 | Rat | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 417 | 13 | 2 | 3 | 4.9 | CCCc1cccc(C[C@H](O)/C=C/[C@H]2CCC(=S)N2CCCCCCC(=O)O)c1 | 10.1016/j.bmc.2011.12.009 | ||
CHEMBL1929547 | 69365 | 0 | None | - | 1 | Rat | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 417 | 13 | 2 | 3 | 4.9 | CCCc1cccc(C[C@H](O)/C=C/[C@H]2CCC(=S)N2CCCCCCC(=O)O)c1 | 10.1016/j.bmc.2011.12.009 | ||
57384034 | 71305 | 0 | None | 9 | 2 | Rat | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 528 | 10 | 2 | 6 | 5.4 | O=C(O)c1csc(SCCN2C(=O)CC[C@@H]2/C=C/[C@@H](O)Cc2cccc(-c3ccc(Cl)cc3)c2)n1 | 10.1016/j.bmc.2012.04.008 | ||
CHEMBL1957436 | 71305 | 0 | None | 9 | 2 | Rat | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 528 | 10 | 2 | 6 | 5.4 | O=C(O)c1csc(SCCN2C(=O)CC[C@@H]2/C=C/[C@@H](O)Cc2cccc(-c3ccc(Cl)cc3)c2)n1 | 10.1016/j.bmc.2012.04.008 | ||
9867899 | 203122 | 0 | None | - | 1 | Mouse | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 440 | 13 | 3 | 5 | 3.6 | COCc1cccc(C[C@H](O)/C=C/[C@H]2[C@H](O)C[C@@H](F)[C@@H]2CCSCCCC(=O)O)c1 | 10.1016/s0960-894x(01)00365-1 | ||
CHEMBL64072 | 203122 | 0 | None | - | 1 | Mouse | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 440 | 13 | 3 | 5 | 3.6 | COCc1cccc(C[C@H](O)/C=C/[C@H]2[C@H](O)C[C@@H](F)[C@@H]2CCSCCCC(=O)O)c1 | 10.1016/s0960-894x(01)00365-1 | ||
44304034 | 200592 | 0 | None | - | 1 | Mouse | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 424 | 11 | 3 | 6 | 2.7 | Cc1ccc(C[C@H](O)/C=C/[C@H]2[C@H](O)CC(=O)[C@@H]2SCCCSCC(=O)O)cc1 | 10.1016/s0960-894x(01)00364-x | ||
CHEMBL59921 | 200592 | 0 | None | - | 1 | Mouse | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 424 | 11 | 3 | 6 | 2.7 | Cc1ccc(C[C@H](O)/C=C/[C@H]2[C@H](O)CC(=O)[C@@H]2SCCCSCC(=O)O)cc1 | 10.1016/s0960-894x(01)00364-x | ||
44409693 | 166096 | 0 | None | 6 | 2 | Rat | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 429 | 11 | 2 | 4 | 4.3 | CCc1ccc(CC(O)CC[C@H]2CCC(=O)N2CCCc2ccc(C(=O)O)s2)cc1 | 10.1016/j.bmcl.2006.01.018 | ||
CHEMBL425950 | 166096 | 0 | None | 6 | 2 | Rat | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 429 | 11 | 2 | 4 | 4.3 | CCc1ccc(CC(O)CC[C@H]2CCC(=O)N2CCCc2ccc(C(=O)O)s2)cc1 | 10.1016/j.bmcl.2006.01.018 | ||
10269242 | 155573 | 0 | None | 54 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 348 | 9 | 2 | 4 | 2.2 | CC(C)CC(O)CCN1CCC(=O)N1CCc1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2007.09.074 | ||
CHEMBL404413 | 155573 | 0 | None | 54 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 348 | 9 | 2 | 4 | 2.2 | CC(C)CC(O)CCN1CCC(=O)N1CCc1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2007.09.074 | ||
57894108 | 75154 | 0 | None | - | 1 | Rat | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 494 | 12 | 2 | 5 | 4.3 | O=C(O)CCCSCCN1C(=O)CC[C@@H]1/C=C/[C@@H](O)Cc1cccc(N2Cc3ccccc3C2)c1 | 10.1016/j.bmc.2012.04.008 | ||
CHEMBL2036310 | 75154 | 0 | None | - | 1 | Rat | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 494 | 12 | 2 | 5 | 4.3 | O=C(O)CCCSCCN1C(=O)CC[C@@H]1/C=C/[C@@H](O)Cc1cccc(N2Cc3ccccc3C2)c1 | 10.1016/j.bmc.2012.04.008 | ||
58932678 | 75286 | 0 | None | 301 | 2 | Rat | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 549 | 10 | 2 | 8 | 5.2 | Cc1cccc2oc(-c3cccc(C[C@H](O)/C=C/[C@H]4CCC(=O)N4CCSc4nc(C(=O)O)cs4)c3)nc12 | 10.1016/j.bmc.2012.04.008 | ||
CHEMBL2037290 | 75286 | 0 | None | 301 | 2 | Rat | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 549 | 10 | 2 | 8 | 5.2 | Cc1cccc2oc(-c3cccc(C[C@H](O)/C=C/[C@H]4CCC(=O)N4CCSc4nc(C(=O)O)cs4)c3)nc12 | 10.1016/j.bmc.2012.04.008 | ||
24771582 | 69503 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 403 | 11 | 3 | 4 | 3.6 | Cc1cc(C[C@H](O)/C=C/[C@H]2CCCC(=O)N2CCCCCCC(=O)O)ccc1O | 10.1016/j.bmcl.2005.03.059 | ||
CHEMBL193405 | 69503 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 403 | 11 | 3 | 4 | 3.6 | Cc1cc(C[C@H](O)/C=C/[C@H]2CCCC(=O)N2CCCCCCC(=O)O)ccc1O | 10.1016/j.bmcl.2005.03.059 | ||
156010583 | 177076 | 0 | None | 162 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 451 | 10 | 2 | 4 | 5.4 | CCCCCC(C)(O)/C=C/c1c(Cl)cc(Cl)c(=O)n1CCc1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2020.127104 | ||
CHEMBL4633041 | 177076 | 0 | None | 162 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 451 | 10 | 2 | 4 | 5.4 | CCCCCC(C)(O)/C=C/c1c(Cl)cc(Cl)c(=O)n1CCc1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2020.127104 | ||
10384865 | 69363 | 0 | None | - | 1 | Rat | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 375 | 11 | 2 | 3 | 4.0 | O=C(O)CCCCCCN1C(=S)CC[C@@H]1/C=C/[C@@H](O)Cc1ccccc1 | 10.1016/j.bmc.2011.12.009 | ||
CHEMBL1929545 | 69363 | 0 | None | - | 1 | Rat | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 375 | 11 | 2 | 3 | 4.0 | O=C(O)CCCCCCN1C(=S)CC[C@@H]1/C=C/[C@@H](O)Cc1ccccc1 | 10.1016/j.bmc.2011.12.009 | ||
10069539 | 68626 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 399 | 13 | 2 | 4 | 4.1 | CCCCC(C)(C)C(O)/C=C/[C@H]1CCCC(=O)N1CCSCCCC(=O)O | 10.1016/j.bmcl.2005.03.059 | ||
CHEMBL191790 | 68626 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 399 | 13 | 2 | 4 | 4.1 | CCCCC(C)(C)C(O)/C=C/[C@H]1CCCC(=O)N1CCSCCCC(=O)O | 10.1016/j.bmcl.2005.03.059 | ||
44442334 | 94526 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 327 | 7 | 1 | 2 | 3.8 | CC/C(C)=C\C=C\[C@H]1CCC(=O)N1CCc1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2007.05.025 | ||
CHEMBL251710 | 94526 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 327 | 7 | 1 | 2 | 3.8 | CC/C(C)=C\C=C\[C@H]1CCC(=O)N1CCc1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2007.05.025 | ||
1883 | 3080 | 75 | None | -1 | 12 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.bmcl.2007.11.020 | ||
1916 | 3080 | 75 | None | -1 | 12 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.bmcl.2007.11.020 | ||
5280360 | 3080 | 75 | None | -1 | 12 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.bmcl.2007.11.020 | ||
913 | 3080 | 75 | None | -1 | 12 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.bmcl.2007.11.020 | ||
CHEMBL548 | 3080 | 75 | None | -1 | 12 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.bmcl.2007.11.020 | ||
DB00917 | 3080 | 75 | None | -1 | 12 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.bmcl.2007.11.020 | ||
44455115 | 95560 | 0 | None | 6 | 2 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 387 | 10 | 2 | 3 | 4.1 | CCCCC(C)(C)[C@H](O)/C=C/[C@H]1CCC(=O)N1CCc1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2007.11.020 | ||
CHEMBL257658 | 95560 | 0 | None | 6 | 2 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 387 | 10 | 2 | 3 | 4.1 | CCCCC(C)(C)[C@H](O)/C=C/[C@H]1CCC(=O)N1CCc1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2007.11.020 | ||
1883 | 3080 | 75 | None | -1 | 12 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/s0960-894x(03)00042-8 | ||
1916 | 3080 | 75 | None | -1 | 12 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/s0960-894x(03)00042-8 | ||
5280360 | 3080 | 75 | None | -1 | 12 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/s0960-894x(03)00042-8 | ||
913 | 3080 | 75 | None | -1 | 12 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/s0960-894x(03)00042-8 | ||
CHEMBL548 | 3080 | 75 | None | -1 | 12 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/s0960-894x(03)00042-8 | ||
DB00917 | 3080 | 75 | None | -1 | 12 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/s0960-894x(03)00042-8 | ||
10291963 | 84706 | 0 | None | -6 | 4 | Rat | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 359 | 10 | 2 | 3 | 3.4 | CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)N1CCc1ccc(C(=O)O)cc1 | 10.1016/j.bmc.2012.02.018 | ||
CHEMBL222715 | 84706 | 0 | None | -6 | 4 | Rat | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 359 | 10 | 2 | 3 | 3.4 | CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)N1CCc1ccc(C(=O)O)cc1 | 10.1016/j.bmc.2012.02.018 | ||
9846782 | 100903 | 7 | None | - | 1 | Mouse | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 454 | 13 | 3 | 7 | 2.6 | COCc1cccc(C[C@H](O)/C=C/[C@H]2[C@H](O)CC(=O)[C@@H]2SCCCSCC(=O)O)c1 | 10.1016/s0960-894x(01)00364-x | ||
CHEMBL293856 | 100903 | 7 | None | - | 1 | Mouse | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 454 | 13 | 3 | 7 | 2.6 | COCc1cccc(C[C@H](O)/C=C/[C@H]2[C@H](O)CC(=O)[C@@H]2SCCCSCC(=O)O)c1 | 10.1016/s0960-894x(01)00364-x | ||
72948479 | 153031 | 0 | None | 512 | 2 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 491 | 12 | 2 | 4 | 5.2 | C[C@@H](CCCc1ccccc1)[C@H](O)/C=C/[C@H]1CC(F)(F)C(=O)N1CCCc1ccc(C(=O)O)s1 | nan | ||
CHEMBL3975743 | 153031 | 0 | None | 512 | 2 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 491 | 12 | 2 | 4 | 5.2 | C[C@@H](CCCc1ccccc1)[C@H](O)/C=C/[C@H]1CC(F)(F)C(=O)N1CCCc1ccc(C(=O)O)s1 | nan | ||
57893891 | 75157 | 0 | None | - | 1 | Rat | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 510 | 12 | 2 | 6 | 5.0 | O=C(O)CCCSCCN1C(=O)CC[C@@H]1/C=C/[C@@H](O)Cc1cccc(-c2nc3ccccc3s2)c1 | 10.1016/j.bmc.2012.04.008 | ||
CHEMBL2036313 | 75157 | 0 | None | - | 1 | Rat | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 510 | 12 | 2 | 6 | 5.0 | O=C(O)CCCSCCN1C(=O)CC[C@@H]1/C=C/[C@@H](O)Cc1cccc(-c2nc3ccccc3s2)c1 | 10.1016/j.bmc.2012.04.008 | ||
44304404 | 100579 | 0 | None | - | 1 | Mouse | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 436 | 12 | 3 | 4 | 4.1 | COCc1cccc(C[C@H](O)/C=C/[C@H]2[C@H](O)C[C@@H](Cl)[C@@H]2C/C=C/CCCC(=O)O)c1 | 10.1016/s0960-894x(01)00365-1 | ||
CHEMBL291630 | 100579 | 0 | None | - | 1 | Mouse | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 436 | 12 | 3 | 4 | 4.1 | COCc1cccc(C[C@H](O)/C=C/[C@H]2[C@H](O)C[C@@H](Cl)[C@@H]2C/C=C/CCCC(=O)O)c1 | 10.1016/s0960-894x(01)00365-1 | ||
1883 | 3080 | 75 | None | -1 | 12 | Rat | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.bmc.2012.02.018 | ||
1916 | 3080 | 75 | None | -1 | 12 | Rat | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.bmc.2012.02.018 | ||
5280360 | 3080 | 75 | None | -1 | 12 | Rat | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.bmc.2012.02.018 | ||
913 | 3080 | 75 | None | -1 | 12 | Rat | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.bmc.2012.02.018 | ||
CHEMBL548 | 3080 | 75 | None | -1 | 12 | Rat | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.bmc.2012.02.018 | ||
DB00917 | 3080 | 75 | None | -1 | 12 | Rat | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.bmc.2012.02.018 | ||
138 | 3079 | 88 | None | -1 | 10 | Mouse | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | 10.1016/s0960-894x(01)00365-1 | ||
149351 | 3079 | 88 | None | -1 | 10 | Mouse | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | 10.1016/s0960-894x(01)00365-1 | ||
1882 | 3079 | 88 | None | -1 | 10 | Mouse | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | 10.1016/s0960-894x(01)00365-1 | ||
5280723 | 3079 | 88 | None | -1 | 10 | Mouse | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | 10.1016/s0960-894x(01)00365-1 | ||
CHEMBL495 | 3079 | 88 | None | -1 | 10 | Mouse | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | 10.1016/s0960-894x(01)00365-1 | ||
DB00770 | 3079 | 88 | None | -1 | 10 | Mouse | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | 10.1016/s0960-894x(01)00365-1 | ||
44304388 | 203150 | 0 | None | - | 1 | Mouse | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 372 | 13 | 3 | 5 | 3.0 | CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCSCCCC(=O)O | 10.1016/s0960-894x(01)00365-1 | ||
CHEMBL64187 | 203150 | 0 | None | - | 1 | Mouse | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 372 | 13 | 3 | 5 | 3.0 | CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCSCCCC(=O)O | 10.1016/s0960-894x(01)00365-1 | ||
13231966 | 100949 | 0 | None | - | 1 | Mouse | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 372 | 13 | 3 | 5 | 3.2 | CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1SCCCCCC(=O)O | 10.1016/s0960-894x(01)00365-1 | ||
CHEMBL294108 | 100949 | 0 | None | - | 1 | Mouse | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 372 | 13 | 3 | 5 | 3.2 | CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1SCCCCCC(=O)O | 10.1016/s0960-894x(01)00365-1 | ||
13231966 | 100949 | 0 | None | - | 1 | Mouse | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 372 | 13 | 3 | 5 | 3.2 | CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1SCCCCCC(=O)O | 10.1016/s0960-894x(01)00364-x | ||
CHEMBL294108 | 100949 | 0 | None | - | 1 | Mouse | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 372 | 13 | 3 | 5 | 3.2 | CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1SCCCCCC(=O)O | 10.1016/s0960-894x(01)00364-x | ||
24739203 | 164960 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 423 | 7 | 1 | 4 | 4.6 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC(=O)O)cc1F)C2 | 10.1016/j.bmcl.2018.03.091 | ||
CHEMBL4225243 | 164960 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 423 | 7 | 1 | 4 | 4.6 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC(=O)O)cc1F)C2 | 10.1016/j.bmcl.2018.03.091 | ||
118517488 | 153709 | 0 | None | 14 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 414 | 8 | 2 | 3 | 4.4 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2cccc(F)c2F)cc1 | nan | ||
CHEMBL3981554 | 153709 | 0 | None | 14 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 414 | 8 | 2 | 3 | 4.4 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2cccc(F)c2F)cc1 | nan | ||
44304051 | 102758 | 0 | None | - | 1 | Mouse | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 440 | 12 | 3 | 7 | 2.4 | COc1ccc(C[C@H](O)/C=C/[C@H]2[C@H](O)CC(=O)[C@@H]2SCCCSCC(=O)O)cc1 | 10.1016/s0960-894x(01)00364-x | ||
CHEMBL305126 | 102758 | 0 | None | - | 1 | Mouse | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 440 | 12 | 3 | 7 | 2.4 | COc1ccc(C[C@H](O)/C=C/[C@H]2[C@H](O)CC(=O)[C@@H]2SCCCSCC(=O)O)cc1 | 10.1016/s0960-894x(01)00364-x | ||
9820333 | 75369 | 0 | None | - | 1 | Rat | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 361 | 12 | 2 | 3 | 3.4 | O=C(O)CCCCCCN1C(=O)CC[C@@H]1CCC(O)Cc1ccccc1 | 10.1016/j.bmcl.2006.01.018 | ||
CHEMBL203780 | 75369 | 0 | None | - | 1 | Rat | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 361 | 12 | 2 | 3 | 3.4 | O=C(O)CCCCCCN1C(=O)CC[C@@H]1CCC(O)Cc1ccccc1 | 10.1016/j.bmcl.2006.01.018 | ||
127052613 | 140204 | 0 | None | -41 | 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 | 140204 | 0 | None | -41 | 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 | ||
10023506 | 69348 | 0 | None | - | 1 | Rat | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 393 | 11 | 2 | 5 | 2.9 | Cc1cccc(C[C@H](O)/C=C/[C@H]2COC(=O)N2CCSCCCC(=O)O)c1 | 10.1016/j.bmc.2011.12.009 | ||
CHEMBL1929530 | 69348 | 0 | None | - | 1 | Rat | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 393 | 11 | 2 | 5 | 2.9 | Cc1cccc(C[C@H](O)/C=C/[C@H]2COC(=O)N2CCSCCCC(=O)O)c1 | 10.1016/j.bmc.2011.12.009 | ||
66857988 | 164120 | 0 | None | -1621 | 3 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 428 | 12 | 2 | 7 | 4.0 | CCCCCC(C)(O)C/C=C/[C@H]1COC(=O)N1CCSc1nc(C(=O)O)cs1 | 10.1016/j.bmc.2017.11.035 | ||
CHEMBL4209929 | 164120 | 0 | None | -1621 | 3 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 428 | 12 | 2 | 7 | 4.0 | CCCCCC(C)(O)C/C=C/[C@H]1COC(=O)N1CCSc1nc(C(=O)O)cs1 | 10.1016/j.bmc.2017.11.035 | ||
11294085 | 137250 | 0 | None | -186 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 458 | 12 | 2 | 7 | 4.0 | O=C(O)c1csc(SCCN2C(=O)OC[C@@H]2/C=C/[C@@H](O)C2(CCCCF)CCC2)n1 | 10.1016/j.bmc.2017.11.035 | ||
CHEMBL3751951 | 137250 | 0 | None | -186 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 458 | 12 | 2 | 7 | 4.0 | O=C(O)c1csc(SCCN2C(=O)OC[C@@H]2/C=C/[C@@H](O)C2(CCCCF)CCC2)n1 | 10.1016/j.bmc.2017.11.035 | ||
10000048 | 135557 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 383 | 12 | 2 | 4 | 3.5 | O=C(O)CCCSCCN1C(=O)CCC[C@@H]1/C=C/[C@@H](O)CCC1CCC1 | 10.1016/j.bmcl.2005.03.059 | ||
CHEMBL372894 | 135557 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 383 | 12 | 2 | 4 | 3.5 | O=C(O)CCCSCCN1C(=O)CCC[C@@H]1/C=C/[C@@H](O)CCC1CCC1 | 10.1016/j.bmcl.2005.03.059 | ||
44304008 | 203240 | 0 | None | - | 1 | Mouse | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 410 | 11 | 3 | 6 | 2.4 | O=C(O)CSCCCS[C@H]1C(=O)C[C@@H](O)[C@@H]1/C=C/[C@@H](O)Cc1ccccc1 | 10.1016/s0960-894x(01)00364-x | ||
CHEMBL64542 | 203240 | 0 | None | - | 1 | Mouse | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 410 | 11 | 3 | 6 | 2.4 | O=C(O)CSCCCS[C@H]1C(=O)C[C@@H](O)[C@@H]1/C=C/[C@@H](O)Cc1ccccc1 | 10.1016/s0960-894x(01)00364-x | ||
10046356 | 69352 | 0 | None | - | 1 | Rat | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 397 | 11 | 2 | 5 | 2.7 | O=C(O)CCCSCCN1C(=O)OC[C@@H]1/C=C/[C@@H](O)Cc1cccc(F)c1 | 10.1016/j.bmc.2011.12.009 | ||
CHEMBL1929534 | 69352 | 0 | None | - | 1 | Rat | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 397 | 11 | 2 | 5 | 2.7 | O=C(O)CCCSCCN1C(=O)OC[C@@H]1/C=C/[C@@H](O)Cc1cccc(F)c1 | 10.1016/j.bmc.2011.12.009 | ||
10362346 | 69347 | 0 | None | - | 1 | Rat | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 379 | 11 | 2 | 5 | 2.6 | O=C(O)CCCSCCN1C(=O)OC[C@@H]1/C=C/[C@@H](O)Cc1ccccc1 | 10.1016/j.bmc.2011.12.009 | ||
CHEMBL1929529 | 69347 | 0 | None | - | 1 | Rat | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 379 | 11 | 2 | 5 | 2.6 | O=C(O)CCCSCCN1C(=O)OC[C@@H]1/C=C/[C@@H](O)Cc1ccccc1 | 10.1016/j.bmc.2011.12.009 | ||
44290312 | 178918 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 421 | 11 | 2 | 3 | 5.0 | O=C(O)CCCCCCN1C(=O)CC[C@@H]1/C=C/C(O)c1cccc(-c2ccccc2)c1 | 10.1016/j.bmcl.2004.01.063 | ||
CHEMBL47018 | 178918 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 421 | 11 | 2 | 3 | 5.0 | O=C(O)CCCCCCN1C(=O)CC[C@@H]1/C=C/C(O)c1cccc(-c2ccccc2)c1 | 10.1016/j.bmcl.2004.01.063 | ||
156020398 | 178100 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 505 | 13 | 2 | 4 | 5.4 | CCCCCC(O)/C=C/c1c(Br)cc(Br)c(=O)n1CCCCCCC(=O)O | 10.1016/j.bmcl.2020.127104 | ||
CHEMBL4647921 | 178100 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 505 | 13 | 2 | 4 | 5.4 | CCCCCC(O)/C=C/c1c(Br)cc(Br)c(=O)n1CCCCCCC(=O)O | 10.1016/j.bmcl.2020.127104 | ||
56839343 | 144277 | 0 | None | 1 | 6 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 642 | 14 | 2 | 8 | 5.4 | COc1ccc(CCC(=O)NS(=O)(=O)C(F)(F)F)c(CN2CCC[C@H]2c2nc(C(=O)NCCCCC3CCCCC3)co2)c1 | nan | ||
CHEMBL3904989 | 144277 | 0 | None | 1 | 6 | Human | 7.4 | pEC50 | = | 7.4 | 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 | ||
44304052 | 202935 | 0 | None | - | 1 | Mouse | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 440 | 12 | 3 | 7 | 2.4 | COc1cccc(C[C@H](O)/C=C/[C@H]2[C@H](O)CC(=O)[C@@H]2SCCCSCC(=O)O)c1 | 10.1016/s0960-894x(01)00364-x | ||
CHEMBL62888 | 202935 | 0 | None | - | 1 | Mouse | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 440 | 12 | 3 | 7 | 2.4 | COc1cccc(C[C@H](O)/C=C/[C@H]2[C@H](O)CC(=O)[C@@H]2SCCCSCC(=O)O)c1 | 10.1016/s0960-894x(01)00364-x | ||
56649302 | 152664 | 0 | None | 1 | 6 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 630 | 13 | 2 | 7 | 5.5 | O=C(CCc1ccc(F)cc1CN1CCC[C@H]1c1nc(C(=O)NCCCCC2CCCCC2)co1)NS(=O)(=O)C(F)(F)F | nan | ||
CHEMBL3972583 | 152664 | 0 | None | 1 | 6 | Human | 7.4 | pEC50 | = | 7.4 | 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 | ||
118517485 | 142748 | 0 | None | 3 | 4 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 396 | 8 | 2 | 3 | 4.2 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2ccc(F)cc2)cc1 | nan | ||
CHEMBL3892492 | 142748 | 0 | None | 3 | 4 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 396 | 8 | 2 | 3 | 4.2 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2ccc(F)cc2)cc1 | nan | ||
10113722 | 165055 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 433 | 7 | 1 | 4 | 5.2 | CC(C)Oc1c2c(c(OC(C)C)c3ccccc13)C(=O)N(c1ccc(CC(=O)O)cc1)C2 | 10.1016/j.bmcl.2018.03.091 | ||
CHEMBL4226523 | 165055 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 433 | 7 | 1 | 4 | 5.2 | CC(C)Oc1c2c(c(OC(C)C)c3ccccc13)C(=O)N(c1ccc(CC(=O)O)cc1)C2 | 10.1016/j.bmcl.2018.03.091 | ||
16678098 | 165216 | 19 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 423 | 7 | 1 | 4 | 4.6 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC(=O)O)c(F)c1)C2 | 10.1016/j.bmcl.2018.03.091 | ||
CHEMBL4229058 | 165216 | 19 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 423 | 7 | 1 | 4 | 4.6 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC(=O)O)c(F)c1)C2 | 10.1016/j.bmcl.2018.03.091 | ||
10448293 | 154419 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 313 | 6 | 1 | 2 | 3.4 | CC(C)=C/C=C/[C@H]1CCC(=O)N1CCc1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2007.05.025 | ||
CHEMBL398947 | 154419 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 313 | 6 | 1 | 2 | 3.4 | CC(C)=C/C=C/[C@H]1CCC(=O)N1CCc1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2007.05.025 | ||
118517483 | 144269 | 0 | None | 22 | 3 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 396 | 8 | 2 | 3 | 4.2 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2ccccc2F)cc1 | nan | ||
CHEMBL3904946 | 144269 | 0 | None | 22 | 3 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 396 | 8 | 2 | 3 | 4.2 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2ccccc2F)cc1 | nan | ||
10004602 | 69360 | 0 | None | - | 1 | Rat | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 463 | 11 | 2 | 5 | 4.3 | O=C(O)CCCSCCN1C(=O)SC[C@@H]1/C=C/[C@@H](O)Cc1cccc(C(F)(F)F)c1 | 10.1016/j.bmc.2011.12.009 | ||
CHEMBL1929542 | 69360 | 0 | None | - | 1 | Rat | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 463 | 11 | 2 | 5 | 4.3 | O=C(O)CCCSCCN1C(=O)SC[C@@H]1/C=C/[C@@H](O)Cc1cccc(C(F)(F)F)c1 | 10.1016/j.bmc.2011.12.009 | ||
9886718 | 203161 | 0 | None | - | 1 | Mouse | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 390 | 13 | 3 | 6 | 2.7 | CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1SCCCSCC(=O)O | 10.1016/s0960-894x(01)00364-x | ||
CHEMBL64217 | 203161 | 0 | None | - | 1 | Mouse | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 390 | 13 | 3 | 6 | 2.7 | CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1SCCCSCC(=O)O | 10.1016/s0960-894x(01)00364-x | ||
10363310 | 69357 | 0 | None | - | 1 | Rat | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 395 | 11 | 2 | 5 | 3.3 | O=C(O)CCCSCCN1C(=O)SC[C@@H]1/C=C/[C@@H](O)Cc1ccccc1 | 10.1016/j.bmc.2011.12.009 | ||
CHEMBL1929539 | 69357 | 0 | None | - | 1 | Rat | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 395 | 11 | 2 | 5 | 3.3 | O=C(O)CCCSCCN1C(=O)SC[C@@H]1/C=C/[C@@H](O)Cc1ccccc1 | 10.1016/j.bmc.2011.12.009 | ||
44303709 | 203198 | 0 | None | - | 1 | Mouse | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 470 | 13 | 3 | 7 | 3.3 | CSCc1cccc(C[C@H](O)/C=C/[C@H]2[C@H](O)CC(=O)[C@@H]2SCCCSCC(=O)O)c1 | 10.1016/s0960-894x(01)00364-x | ||
CHEMBL64338 | 203198 | 0 | None | - | 1 | Mouse | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 470 | 13 | 3 | 7 | 3.3 | CSCc1cccc(C[C@H](O)/C=C/[C@H]2[C@H](O)CC(=O)[C@@H]2SCCCSCC(=O)O)c1 | 10.1016/s0960-894x(01)00364-x | ||
156014791 | 177582 | 0 | None | 309 | 2 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 439 | 11 | 2 | 4 | 5.0 | CCCCCC(O)CCc1c(Cl)cc(Cl)c(=O)n1CCc1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2020.127104 | ||
CHEMBL4640635 | 177582 | 0 | None | 309 | 2 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 439 | 11 | 2 | 4 | 5.0 | CCCCCC(O)CCc1c(Cl)cc(Cl)c(=O)n1CCc1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2020.127104 | ||
10348006 | 75288 | 0 | None | - | 1 | Rat | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 569 | 10 | 2 | 8 | 5.5 | O=C(O)c1csc(SCCN2C(=O)CC[C@@H]2/C=C/[C@@H](O)Cc2cccc(-c3nc4cc(Cl)ccc4o3)c2)n1 | 10.1016/j.bmc.2012.04.008 | ||
CHEMBL2037292 | 75288 | 0 | None | - | 1 | Rat | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 569 | 10 | 2 | 8 | 5.5 | O=C(O)c1csc(SCCN2C(=O)CC[C@@H]2/C=C/[C@@H](O)Cc2cccc(-c3nc4cc(Cl)ccc4o3)c2)n1 | 10.1016/j.bmc.2012.04.008 | ||
44409918 | 165971 | 0 | None | 1 | 2 | Rat | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 435 | 10 | 2 | 4 | 4.4 | O=C(O)c1ccc(CCCN2C(=O)CC[C@@H]2CCC(O)Cc2ccc(Cl)cc2)s1 | 10.1016/j.bmcl.2006.01.018 | ||
CHEMBL425243 | 165971 | 0 | None | 1 | 2 | Rat | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 435 | 10 | 2 | 4 | 4.4 | O=C(O)c1ccc(CCCN2C(=O)CC[C@@H]2CCC(O)Cc2ccc(Cl)cc2)s1 | 10.1016/j.bmcl.2006.01.018 | ||
44290272 | 101441 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 455 | 11 | 2 | 3 | 5.6 | O=C(O)CCCCCCN1C(=O)CC[C@@H]1/C=C/C(O)c1cccc(-c2ccccc2Cl)c1 | 10.1016/j.bmcl.2004.01.063 | ||
CHEMBL297578 | 101441 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 455 | 11 | 2 | 3 | 5.6 | O=C(O)CCCCCCN1C(=O)CC[C@@H]1/C=C/C(O)c1cccc(-c2ccccc2Cl)c1 | 10.1016/j.bmcl.2004.01.063 | ||
44290314 | 173972 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 403 | 10 | 2 | 4 | 3.9 | O=C(O)CCCCCCN1C(=O)CC[C@@H]1/C=C/C(O)c1ccc(C(F)(F)F)o1 | 10.1016/j.bmcl.2004.01.063 | ||
CHEMBL45418 | 173972 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 403 | 10 | 2 | 4 | 3.9 | O=C(O)CCCCCCN1C(=O)CC[C@@H]1/C=C/C(O)c1ccc(C(F)(F)F)o1 | 10.1016/j.bmcl.2004.01.063 | ||
44304258 | 102354 | 0 | None | - | 1 | Mouse | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 424 | 11 | 3 | 6 | 2.7 | Cc1ccccc1C[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1SCCCSCC(=O)O | 10.1016/s0960-894x(01)00364-x | ||
CHEMBL303787 | 102354 | 0 | None | - | 1 | Mouse | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 424 | 11 | 3 | 6 | 2.7 | Cc1ccccc1C[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1SCCCSCC(=O)O | 10.1016/s0960-894x(01)00364-x | ||
44290316 | 162180 | 0 | None | - | 1 | Human | 4.4 | pEC50 | = | 4.4 | Functional | ChEMBL | 421 | 11 | 2 | 3 | 5.0 | O=C(O)CCCCCCN1C(=O)CC[C@@H]1/C=C/C(O)c1ccccc1-c1ccccc1 | 10.1016/j.bmcl.2004.01.063 | ||
CHEMBL416254 | 162180 | 0 | None | - | 1 | Human | 4.4 | pEC50 | = | 4.4 | Functional | ChEMBL | 421 | 11 | 2 | 3 | 5.0 | O=C(O)CCCCCCN1C(=O)CC[C@@H]1/C=C/C(O)c1ccccc1-c1ccccc1 | 10.1016/j.bmcl.2004.01.063 | ||
11339406 | 141332 | 0 | None | - | 1 | Rat | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 429 | 10 | 2 | 3 | 4.3 | O=C(O)c1ccc(CCCN2C(=O)CCC2CCC(O)Cc2cccc(Cl)c2)cc1 | 10.1016/j.bmcl.2006.01.018 | ||
CHEMBL383515 | 141332 | 0 | None | - | 1 | Rat | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 429 | 10 | 2 | 3 | 4.3 | O=C(O)c1ccc(CCCN2C(=O)CCC2CCC(O)Cc2cccc(Cl)c2)cc1 | 10.1016/j.bmcl.2006.01.018 | ||
44304335 | 202976 | 0 | None | - | 1 | Mouse | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 422 | 10 | 4 | 4 | 4.0 | Cc1cc(C[C@H](O)/C=C/[C@H]2[C@H](O)C[C@@H](Cl)[C@@H]2C/C=C/CCCC(=O)O)ccc1O | 10.1016/s0960-894x(01)00365-1 | ||
CHEMBL63061 | 202976 | 0 | None | - | 1 | Mouse | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 422 | 10 | 4 | 4 | 4.0 | Cc1cc(C[C@H](O)/C=C/[C@H]2[C@H](O)C[C@@H](Cl)[C@@H]2C/C=C/CCCC(=O)O)ccc1O | 10.1016/s0960-894x(01)00365-1 | ||
10003118 | 135229 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 435 | 13 | 2 | 5 | 3.3 | COCc1cccc(C[C@H](O)/C=C/[C@H]2CCCC(=O)N2CCSCCCC(=O)O)c1 | 10.1016/j.bmcl.2005.03.059 | ||
CHEMBL372436 | 135229 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 435 | 13 | 2 | 5 | 3.3 | COCc1cccc(C[C@H](O)/C=C/[C@H]2CCCC(=O)N2CCSCCCC(=O)O)c1 | 10.1016/j.bmcl.2005.03.059 | ||
11742697 | 161716 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 417 | 13 | 2 | 4 | 3.7 | COCc1cccc(C[C@H](O)/C=C/[C@H]2CCCC(=O)N2CCCCCCC(=O)O)c1 | 10.1016/j.bmcl.2005.03.059 | ||
CHEMBL413563 | 161716 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 417 | 13 | 2 | 4 | 3.7 | COCc1cccc(C[C@H](O)/C=C/[C@H]2CCCC(=O)N2CCCCCCC(=O)O)c1 | 10.1016/j.bmcl.2005.03.059 | ||
44303710 | 102314 | 0 | None | - | 1 | Mouse | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 482 | 15 | 3 | 7 | 3.0 | COCCCc1cccc(C[C@H](O)/C=C/[C@H]2[C@H](O)CC(=O)[C@@H]2SCCCSCC(=O)O)c1 | 10.1016/s0960-894x(01)00364-x | ||
CHEMBL303532 | 102314 | 0 | None | - | 1 | Mouse | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 482 | 15 | 3 | 7 | 3.0 | COCCCc1cccc(C[C@H](O)/C=C/[C@H]2[C@H](O)CC(=O)[C@@H]2SCCCSCC(=O)O)c1 | 10.1016/s0960-894x(01)00364-x | ||
11351910 | 77341 | 0 | None | - | 1 | Rat | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 471 | 11 | 2 | 3 | 5.4 | O=C(O)c1ccc(CCCN2C(=O)CCC2CCC(O)Cc2cccc(-c3ccccc3)c2)cc1 | 10.1016/j.bmcl.2006.01.018 | ||
CHEMBL208411 | 77341 | 0 | None | - | 1 | Rat | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 471 | 11 | 2 | 3 | 5.4 | O=C(O)c1ccc(CCCN2C(=O)CCC2CCC(O)Cc2cccc(-c3ccccc3)c2)cc1 | 10.1016/j.bmcl.2006.01.018 | ||
57390636 | 69354 | 0 | None | - | 1 | Rat | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 455 | 12 | 2 | 5 | 4.2 | O=C(O)CCCSCCN1C(=O)OC[C@@H]1/C=C/[C@@H](O)Cc1cccc(-c2ccccc2)c1 | 10.1016/j.bmc.2011.12.009 | ||
CHEMBL1929536 | 69354 | 0 | None | - | 1 | Rat | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 455 | 12 | 2 | 5 | 4.2 | O=C(O)CCCSCCN1C(=O)OC[C@@H]1/C=C/[C@@H](O)Cc1cccc(-c2ccccc2)c1 | 10.1016/j.bmc.2011.12.009 | ||
57893957 | 75161 | 0 | None | - | 1 | Rat | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 484 | 14 | 2 | 6 | 3.7 | O=C(O)CCCSCCN1C(=O)CC[C@@H]1/C=C/[C@@H](O)Cc1cccc(OCc2ccncc2)c1 | 10.1016/j.bmc.2012.04.008 | ||
CHEMBL2036317 | 75161 | 0 | None | - | 1 | Rat | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 484 | 14 | 2 | 6 | 3.7 | O=C(O)CCCSCCN1C(=O)CC[C@@H]1/C=C/[C@@H](O)Cc1cccc(OCc2ccncc2)c1 | 10.1016/j.bmc.2012.04.008 | ||
44304389 | 203151 | 0 | None | - | 1 | Mouse | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 372 | 13 | 3 | 5 | 3.0 | CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCSCC(=O)O | 10.1016/s0960-894x(01)00365-1 | ||
CHEMBL64188 | 203151 | 0 | None | - | 1 | Mouse | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 372 | 13 | 3 | 5 | 3.0 | CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCSCC(=O)O | 10.1016/s0960-894x(01)00365-1 | ||
10113454 | 177499 | 0 | None | -28 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 429 | 12 | 2 | 3 | 4.4 | O=C(O)CCCCCCN1C(=O)CC[C@@H]1CC[C@@H](O)Cc1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2004.01.063 | ||
CHEMBL46395 | 177499 | 0 | None | -28 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 429 | 12 | 2 | 3 | 4.4 | O=C(O)CCCCCCN1C(=O)CC[C@@H]1CC[C@@H](O)Cc1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2004.01.063 | ||
69753740 | 140220 | 0 | None | -1258 | 5 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 390 | 9 | 3 | 5 | 2.8 | O=C(O)CCC[C@H]1CC[C@H]2[C@H](C[C@@H](O)[C@@H]2/C=C/[C@@H](O)COc2ccccc2)O1 | 10.1021/acsmedchemlett.5b00455 | ||
CHEMBL3805134 | 140220 | 0 | None | -1258 | 5 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 390 | 9 | 3 | 5 | 2.8 | O=C(O)CCC[C@H]1CC[C@H]2[C@H](C[C@@H](O)[C@@H]2/C=C/[C@@H](O)COc2ccccc2)O1 | 10.1021/acsmedchemlett.5b00455 | ||
57396660 | 71306 | 0 | None | - | 1 | Rat | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 544 | 10 | 2 | 6 | 5.9 | O=C(O)c1csc(SCCN2C(=O)CC[C@@H]2/C=C/[C@@H](O)Cc2cccc(-c3ccc4ccccc4c3)c2)n1 | 10.1016/j.bmc.2012.02.018 | ||
CHEMBL1957437 | 71306 | 0 | None | - | 1 | Rat | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 544 | 10 | 2 | 6 | 5.9 | O=C(O)c1csc(SCCN2C(=O)CC[C@@H]2/C=C/[C@@H](O)Cc2cccc(-c3ccc4ccccc4c3)c2)n1 | 10.1016/j.bmc.2012.02.018 | ||
57396660 | 71306 | 0 | None | - | 1 | Rat | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 544 | 10 | 2 | 6 | 5.9 | O=C(O)c1csc(SCCN2C(=O)CC[C@@H]2/C=C/[C@@H](O)Cc2cccc(-c3ccc4ccccc4c3)c2)n1 | 10.1016/j.bmc.2012.04.008 | ||
CHEMBL1957437 | 71306 | 0 | None | - | 1 | Rat | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 544 | 10 | 2 | 6 | 5.9 | O=C(O)c1csc(SCCN2C(=O)CC[C@@H]2/C=C/[C@@H](O)Cc2cccc(-c3ccc4ccccc4c3)c2)n1 | 10.1016/j.bmc.2012.04.008 | ||
9863804 | 94096 | 0 | None | 120 | 2 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 362 | 11 | 2 | 4 | 2.7 | CCCCCC(O)CCN1CCC(=O)N1CCc1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2007.09.074 | ||
CHEMBL249136 | 94096 | 0 | None | 120 | 2 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 362 | 11 | 2 | 4 | 2.7 | CCCCCC(O)CCN1CCC(=O)N1CCc1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2007.09.074 | ||
21079275 | 165121 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 439 | 7 | 1 | 4 | 5.1 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC(=O)O)cc1Cl)C2 | 10.1016/j.bmcl.2018.03.091 | ||
CHEMBL4227555 | 165121 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 439 | 7 | 1 | 4 | 5.1 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC(=O)O)cc1Cl)C2 | 10.1016/j.bmcl.2018.03.091 | ||
21079274 | 165155 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 483 | 7 | 1 | 4 | 5.2 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC(=O)O)cc1Br)C2 | 10.1016/j.bmcl.2018.03.091 | ||
CHEMBL4228070 | 165155 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 483 | 7 | 1 | 4 | 5.2 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC(=O)O)cc1Br)C2 | 10.1016/j.bmcl.2018.03.091 | ||
90054462 | 145020 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 477 | 10 | 1 | 5 | 4.5 | COC(=O)c1ccc(CCCN2C(=O)C(F)(F)C[C@@H]2/C=C/[C@@H](O)[C@@H](C)Cc2ccccc2)s1 | nan | ||
CHEMBL3911081 | 145020 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 477 | 10 | 1 | 5 | 4.5 | COC(=O)c1ccc(CCCN2C(=O)C(F)(F)C[C@@H]2/C=C/[C@@H](O)[C@@H](C)Cc2ccccc2)s1 | nan | ||
57464006 | 75166 | 0 | None | 288 | 2 | Rat | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 534 | 10 | 2 | 7 | 5.5 | O=C(O)c1csc(SCCN2C(=O)CC[C@@H]2/C=C/[C@@H](O)Cc2cccc(-c3cc4ccccc4o3)c2)n1 | 10.1016/j.bmc.2012.04.008 | ||
CHEMBL2036322 | 75166 | 0 | None | 288 | 2 | Rat | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 534 | 10 | 2 | 7 | 5.5 | O=C(O)c1csc(SCCN2C(=O)CC[C@@H]2/C=C/[C@@H](O)Cc2cccc(-c3cc4ccccc4o3)c2)n1 | 10.1016/j.bmc.2012.04.008 | ||
90054537 | 148401 | 0 | None | 213 | 2 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 491 | 12 | 2 | 4 | 5.2 | C[C@@H](CCCc1ccccc1)[C@@H](O)/C=C/[C@H]1CC(F)(F)C(=O)N1CCCc1ccc(C(=O)O)s1 | nan | ||
CHEMBL3937596 | 148401 | 0 | None | 213 | 2 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 491 | 12 | 2 | 4 | 5.2 | C[C@@H](CCCc1ccccc1)[C@@H](O)/C=C/[C@H]1CC(F)(F)C(=O)N1CCCc1ccc(C(=O)O)s1 | nan | ||
9865732 | 69315 | 0 | None | - | 1 | Rabbit | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 400 | 7 | 3 | 4 | 3.8 | O=C(O)CCc1cccc2c1O[C@H]1C[C@@H](O)[C@H](/C=C/[C@@H](O)CC3CCCCC3)[C@@H]21 | 10.1016/j.bmcl.2011.09.004 | ||
CHEMBL1928221 | 69315 | 0 | None | - | 1 | Rabbit | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 400 | 7 | 3 | 4 | 3.8 | O=C(O)CCc1cccc2c1O[C@H]1C[C@@H](O)[C@H](/C=C/[C@@H](O)CC3CCCCC3)[C@@H]21 | 10.1016/j.bmcl.2011.09.004 | ||
10001791 | 69361 | 0 | None | - | 1 | Rat | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 413 | 11 | 2 | 5 | 3.4 | O=C(O)CCCSCCN1C(=O)SC[C@@H]1/C=C/[C@@H](O)Cc1cccc(F)c1 | 10.1016/j.bmc.2011.12.009 | ||
CHEMBL1929543 | 69361 | 0 | None | - | 1 | Rat | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 413 | 11 | 2 | 5 | 3.4 | O=C(O)CCCSCCN1C(=O)SC[C@@H]1/C=C/[C@@H](O)Cc1cccc(F)c1 | 10.1016/j.bmc.2011.12.009 | ||
12002526 | 69464 | 0 | None | - | 1 | Rat | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 391 | 11 | 2 | 4 | 3.0 | Cc1cccc(C[C@H](O)/C=C/[C@H]2CCC(=O)N2CCSCCCC(=O)O)c1 | 10.1016/j.bmc.2012.04.008 | ||
CHEMBL1933717 | 69464 | 0 | None | - | 1 | Rat | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 391 | 11 | 2 | 4 | 3.0 | Cc1cccc(C[C@H](O)/C=C/[C@H]2CCC(=O)N2CCSCCCC(=O)O)c1 | 10.1016/j.bmc.2012.04.008 | ||
11339240 | 84726 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 423 | 10 | 2 | 4 | 3.2 | COCc1cccc(C[C@H](O)/C=C/[C@H]2CCC(=O)N2CCc2ccc(C(=O)O)cc2)c1 | 10.1021/jm049290a | ||
CHEMBL222834 | 84726 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 423 | 10 | 2 | 4 | 3.2 | COCc1cccc(C[C@H](O)/C=C/[C@H]2CCC(=O)N2CCc2ccc(C(=O)O)cc2)c1 | 10.1021/jm049290a | ||
44409717 | 77355 | 1 | None | - | 1 | Rat | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 445 | 13 | 2 | 4 | 4.3 | O=C(O)CCCCCCN1C(=O)CC[C@@H]1CC[C@@H](O)Cc1cccc(OC(F)(F)F)c1 | 10.1016/j.bmcl.2006.01.018 | ||
CHEMBL208510 | 77355 | 1 | None | - | 1 | Rat | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 445 | 13 | 2 | 4 | 4.3 | O=C(O)CCCCCCN1C(=O)CC[C@@H]1CC[C@@H](O)Cc1cccc(OC(F)(F)F)c1 | 10.1016/j.bmcl.2006.01.018 | ||
44290262 | 178517 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 455 | 11 | 2 | 3 | 5.6 | O=C(O)CCCCCCN1C(=O)CC[C@@H]1/C=C/C(O)c1cccc(-c2ccc(Cl)cc2)c1 | 10.1016/j.bmcl.2004.01.063 | ||
CHEMBL46671 | 178517 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 455 | 11 | 2 | 3 | 5.6 | O=C(O)CCCCCCN1C(=O)CC[C@@H]1/C=C/C(O)c1cccc(-c2ccc(Cl)cc2)c1 | 10.1016/j.bmcl.2004.01.063 | ||
24944617 | 164928 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 473 | 7 | 1 | 4 | 5.4 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC(=O)O)cc1C(F)(F)F)C2 | 10.1016/j.bmcl.2018.03.091 | ||
CHEMBL4224711 | 164928 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 473 | 7 | 1 | 4 | 5.4 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC(=O)O)cc1C(F)(F)F)C2 | 10.1016/j.bmcl.2018.03.091 | ||
90054387 | 149898 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 505 | 12 | 1 | 5 | 5.3 | COC(=O)c1ccc(CCCN2C(=O)C(F)(F)C[C@@H]2/C=C/[C@H](O)[C@@H](C)CCCc2ccccc2)s1 | nan | ||
CHEMBL3949313 | 149898 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 505 | 12 | 1 | 5 | 5.3 | COC(=O)c1ccc(CCCN2C(=O)C(F)(F)C[C@@H]2/C=C/[C@H](O)[C@@H](C)CCCc2ccccc2)s1 | nan | ||
44409737 | 77340 | 0 | None | - | 1 | Rat | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 451 | 10 | 2 | 4 | 4.9 | O=C(O)c1ccc(CCCN2C(=O)CC[C@@H]2CCC(O)Cc2ccc3ccccc3c2)s1 | 10.1016/j.bmcl.2006.01.018 | ||
CHEMBL208410 | 77340 | 0 | None | - | 1 | Rat | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 451 | 10 | 2 | 4 | 4.9 | O=C(O)c1ccc(CCCN2C(=O)CC[C@@H]2CCC(O)Cc2ccc3ccccc3c2)s1 | 10.1016/j.bmcl.2006.01.018 | ||
44289977 | 162757 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 413 | 10 | 2 | 3 | 4.3 | O=C(O)CCCCCCN1C(=O)CC[C@@H]1/C=C/C(O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2004.01.063 | ||
CHEMBL417171 | 162757 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 413 | 10 | 2 | 3 | 4.3 | O=C(O)CCCCCCN1C(=O)CC[C@@H]1/C=C/C(O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2004.01.063 | ||
10026946 | 75151 | 0 | None | - | 1 | Rat | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 453 | 12 | 2 | 4 | 4.4 | O=C(O)CCCSCCN1C(=O)CC[C@@H]1/C=C/[C@@H](O)Cc1cccc(-c2ccccc2)c1 | 10.1016/j.bmc.2012.04.008 | ||
CHEMBL2036307 | 75151 | 0 | None | - | 1 | Rat | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 453 | 12 | 2 | 4 | 4.4 | O=C(O)CCCSCCN1C(=O)CC[C@@H]1/C=C/[C@@H](O)Cc1cccc(-c2ccccc2)c1 | 10.1016/j.bmc.2012.04.008 | ||
156022045 | 178198 | 0 | None | 4 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 351 | 14 | 2 | 4 | 3.8 | CCCCCC(O)CCc1cccc(=O)n1CCCCCCC(=O)O | 10.1016/j.bmcl.2020.127104 | ||
CHEMBL4649582 | 178198 | 0 | None | 4 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 351 | 14 | 2 | 4 | 3.8 | CCCCCC(O)CCc1cccc(=O)n1CCCCCCC(=O)O | 10.1016/j.bmcl.2020.127104 | ||
44289922 | 163522 | 0 | None | 4 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 339 | 13 | 2 | 3 | 3.5 | CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)N1CCCCCCC(=O)O | 10.1016/j.bmcl.2004.01.063 | ||
CHEMBL42027 | 163522 | 0 | None | 4 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 339 | 13 | 2 | 3 | 3.5 | CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)N1CCCCCCC(=O)O | 10.1016/j.bmcl.2004.01.063 | ||
44289922 | 163522 | 0 | None | 4 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 339 | 13 | 2 | 3 | 3.5 | CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)N1CCCCCCC(=O)O | 10.1021/jm049290a | ||
CHEMBL42027 | 163522 | 0 | None | 4 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 339 | 13 | 2 | 3 | 3.5 | CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)N1CCCCCCC(=O)O | 10.1021/jm049290a | ||
145978309 | 163750 | 0 | None | -5248 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 429 | 12 | 2 | 6 | 4.8 | C[C@@](O)(C/C=C/[C@H]1CCC(=O)[C@@H]1CCSc1nc(C(=O)O)cs1)CCCCF | 10.1016/j.bmc.2017.11.035 | ||
CHEMBL4205480 | 163750 | 0 | None | -5248 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 429 | 12 | 2 | 6 | 4.8 | C[C@@](O)(C/C=C/[C@H]1CCC(=O)[C@@H]1CCSc1nc(C(=O)O)cs1)CCCCF | 10.1016/j.bmc.2017.11.035 | ||
44304011 | 202806 | 0 | None | - | 1 | Mouse | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 440 | 12 | 3 | 7 | 2.4 | COc1ccccc1C[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1SCCCSCC(=O)O | 10.1016/s0960-894x(01)00364-x | ||
CHEMBL62305 | 202806 | 0 | None | - | 1 | Mouse | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 440 | 12 | 3 | 7 | 2.4 | COc1ccccc1C[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1SCCCSCC(=O)O | 10.1016/s0960-894x(01)00364-x | ||
44290266 | 161706 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 353 | 12 | 3 | 4 | 2.3 | CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)N1C/C=C/CCCC(=O)O | 10.1016/j.bmcl.2004.01.063 | ||
CHEMBL413509 | 161706 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 353 | 12 | 3 | 4 | 2.3 | CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)N1C/C=C/CCCC(=O)O | 10.1016/j.bmcl.2004.01.063 | ||
10048720 | 69359 | 0 | None | - | 1 | Rat | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 437 | 13 | 2 | 5 | 4.2 | CCCc1cccc(C[C@H](O)/C=C/[C@H]2CSC(=O)N2CCSCCCC(=O)O)c1 | 10.1016/j.bmc.2011.12.009 | ||
CHEMBL1929541 | 69359 | 0 | None | - | 1 | Rat | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 437 | 13 | 2 | 5 | 4.2 | CCCc1cccc(C[C@H](O)/C=C/[C@H]2CSC(=O)N2CCSCCCC(=O)O)c1 | 10.1016/j.bmc.2011.12.009 | ||
11755846 | 69263 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 503 | 12 | 2 | 4 | 6.1 | Cc1cc(Cl)ccc1-c1cccc([C@H](O)CC[C@H]2CCCC(=O)N2CCSCCCC(=O)O)c1 | 10.1016/j.bmcl.2005.03.059 | ||
CHEMBL192743 | 69263 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 503 | 12 | 2 | 4 | 6.1 | Cc1cc(Cl)ccc1-c1cccc([C@H](O)CC[C@H]2CCCC(=O)N2CCSCCCC(=O)O)c1 | 10.1016/j.bmcl.2005.03.059 | ||
16678098 | 165216 | 19 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 423 | 7 | 1 | 4 | 4.6 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC(=O)O)c(F)c1)C2 | 10.1016/j.bmcl.2018.03.091 | ||
CHEMBL4229058 | 165216 | 19 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 423 | 7 | 1 | 4 | 4.6 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC(=O)O)c(F)c1)C2 | 10.1016/j.bmcl.2018.03.091 | ||
156015440 | 177556 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 437 | 10 | 2 | 4 | 5.1 | CCCCCC(O)/C=C/c1c(Cl)cc(Cl)c(=O)n1CCc1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2020.127104 | ||
CHEMBL4640391 | 177556 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 437 | 10 | 2 | 4 | 5.1 | CCCCCC(O)/C=C/c1c(Cl)cc(Cl)c(=O)n1CCc1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2020.127104 | ||
44289980 | 168806 | 0 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 339 | 13 | 2 | 3 | 3.5 | CCCCC[C@@H](O)/C=C/[C@H]1CCC(=O)N1CCCCCCC(=O)O | 10.1016/j.bmcl.2004.01.063 | ||
CHEMBL43766 | 168806 | 0 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 339 | 13 | 2 | 3 | 3.5 | CCCCC[C@@H](O)/C=C/[C@H]1CCC(=O)N1CCCCCCC(=O)O | 10.1016/j.bmcl.2004.01.063 | ||
90054460 | 154248 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 449 | 9 | 2 | 4 | 4.3 | C[C@@H](c1ccccc1)[C@H](O)/C=C/[C@H]1CC(F)(F)C(=O)N1CCCc1ccc(C(=O)O)s1 | nan | ||
CHEMBL3986266 | 154248 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 449 | 9 | 2 | 4 | 4.3 | C[C@@H](c1ccccc1)[C@H](O)/C=C/[C@H]1CC(F)(F)C(=O)N1CCCc1ccc(C(=O)O)s1 | nan | ||
23654359 | 68587 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 437 | 11 | 2 | 5 | 4.1 | O=C(O)CCCSCCN1C(=O)CCC[C@@H]1CC[C@@H](O)c1ccc(C(F)(F)F)o1 | 10.1016/j.bmcl.2005.03.059 | ||
CHEMBL191770 | 68587 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 437 | 11 | 2 | 5 | 4.1 | O=C(O)CCCSCCN1C(=O)CCC[C@@H]1CC[C@@H](O)c1ccc(C(F)(F)F)o1 | 10.1016/j.bmcl.2005.03.059 | ||
156015440 | 177556 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 437 | 10 | 2 | 4 | 5.1 | CCCCCC(O)/C=C/c1c(Cl)cc(Cl)c(=O)n1CCc1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2020.127104 | ||
CHEMBL4640391 | 177556 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 437 | 10 | 2 | 4 | 5.1 | CCCCCC(O)/C=C/c1c(Cl)cc(Cl)c(=O)n1CCc1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2020.127104 | ||
12002527 | 75158 | 0 | None | - | 1 | Rat | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 493 | 12 | 2 | 5 | 5.1 | O=C(O)CCCSCCN1C(=O)CC[C@@H]1/C=C/[C@@H](O)Cc1cccc(-c2cc3ccccc3o2)c1 | 10.1016/j.bmc.2012.04.008 | ||
CHEMBL2036314 | 75158 | 0 | None | - | 1 | Rat | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 493 | 12 | 2 | 5 | 5.1 | O=C(O)CCCSCCN1C(=O)CC[C@@H]1/C=C/[C@@H](O)Cc1cccc(-c2cc3ccccc3o2)c1 | 10.1016/j.bmc.2012.04.008 | ||
56839344 | 152049 | 0 | None | -23 | 8 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 656 | 13 | 2 | 9 | 5.1 | O=C(CCc1cc2c(cc1CN1CCC[C@H]1c1nc(C(=O)NCCCCC3CCCCC3)co1)OCO2)NS(=O)(=O)C(F)(F)F | nan | ||
CHEMBL3967284 | 152049 | 0 | None | -23 | 8 | Human | 8.2 | pEC50 | = | 8.2 | 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 | ||
57394140 | 69369 | 0 | None | - | 1 | Rat | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 419 | 13 | 2 | 4 | 4.1 | COCc1cccc(C[C@H](O)/C=C/[C@H]2CCC(=S)N2CCCCCCC(=O)O)c1 | 10.1016/j.bmc.2011.12.009 | ||
CHEMBL1929550 | 69369 | 0 | None | - | 1 | Rat | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 419 | 13 | 2 | 4 | 4.1 | COCc1cccc(C[C@H](O)/C=C/[C@H]2CCC(=S)N2CCCCCCC(=O)O)c1 | 10.1016/j.bmc.2011.12.009 | ||
1883 | 3080 | 75 | None | -1 | 12 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1021/acsmedchemlett.5b00455 | ||
1916 | 3080 | 75 | None | -1 | 12 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1021/acsmedchemlett.5b00455 | ||
5280360 | 3080 | 75 | None | -1 | 12 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1021/acsmedchemlett.5b00455 | ||
913 | 3080 | 75 | None | -1 | 12 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1021/acsmedchemlett.5b00455 | ||
CHEMBL548 | 3080 | 75 | None | -1 | 12 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1021/acsmedchemlett.5b00455 | ||
DB00917 | 3080 | 75 | None | -1 | 12 | Human | 8.1 | pEC50 | = | 8.1 | 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 | ||
56949973 | 69370 | 0 | None | - | 1 | Rat | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 407 | 11 | 2 | 4 | 3.8 | Cc1cccc(C[C@H](O)/C=C/[C@H]2CCC(=S)N2CCSCCCC(=O)O)c1 | 10.1016/j.bmc.2011.12.009 | ||
CHEMBL1929551 | 69370 | 0 | None | - | 1 | Rat | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 407 | 11 | 2 | 4 | 3.8 | Cc1cccc(C[C@H](O)/C=C/[C@H]2CCC(=S)N2CCSCCCC(=O)O)c1 | 10.1016/j.bmc.2011.12.009 | ||
10076580 | 75287 | 0 | None | - | 1 | Rat | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 563 | 10 | 2 | 8 | 5.5 | Cc1cc(C)c2oc(-c3cccc(C[C@H](O)/C=C/[C@H]4CCC(=O)N4CCSc4nc(C(=O)O)cs4)c3)nc2c1 | 10.1016/j.bmc.2012.04.008 | ||
CHEMBL2037291 | 75287 | 0 | None | - | 1 | Rat | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 563 | 10 | 2 | 8 | 5.5 | Cc1cc(C)c2oc(-c3cccc(C[C@H](O)/C=C/[C@H]4CCC(=O)N4CCSc4nc(C(=O)O)cs4)c3)nc2c1 | 10.1016/j.bmc.2012.04.008 | ||
44304058 | 203175 | 0 | None | - | 1 | Mouse | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 374 | 13 | 3 | 6 | 2.0 | CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1SCCCOCC(=O)O | 10.1016/s0960-894x(01)00364-x | ||
CHEMBL64254 | 203175 | 0 | None | - | 1 | Mouse | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 374 | 13 | 3 | 6 | 2.0 | CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1SCCCOCC(=O)O | 10.1016/s0960-894x(01)00364-x | ||
21079283 | 165015 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 419 | 7 | 1 | 4 | 4.7 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC(=O)O)cc1C)C2 | 10.1016/j.bmcl.2018.03.091 | ||
CHEMBL4225980 | 165015 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 419 | 7 | 1 | 4 | 4.7 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC(=O)O)cc1C)C2 | 10.1016/j.bmcl.2018.03.091 | ||
118517452 | 148209 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 458 | 9 | 2 | 4 | 5.2 | COc1ccc2cc(CC(O)/C=C/[C@H]3CCC(=O)[C@@H]3CCc3ccc(C(=O)O)cc3)ccc2c1 | nan | ||
CHEMBL3935958 | 148209 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 458 | 9 | 2 | 4 | 5.2 | COc1ccc2cc(CC(O)/C=C/[C@H]3CCC(=O)[C@@H]3CCc3ccc(C(=O)O)cc3)ccc2c1 | nan | ||
44304057 | 203257 | 0 | None | - | 1 | Mouse | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 390 | 13 | 3 | 6 | 2.6 | CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CSCCSCC(=O)O | 10.1016/s0960-894x(01)00364-x | ||
CHEMBL64598 | 203257 | 0 | None | - | 1 | Mouse | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 390 | 13 | 3 | 6 | 2.6 | CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CSCCSCC(=O)O | 10.1016/s0960-894x(01)00364-x | ||
17747304 | 165137 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 437 | 7 | 1 | 5 | 4.2 | CCOc1c2c(c(OCC)c3cc(F)ccc13)C(=O)N(c1ccc(CC(=O)O)cc1)C2=O | 10.1016/j.bmcl.2018.03.091 | ||
CHEMBL4227838 | 165137 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 437 | 7 | 1 | 5 | 4.2 | CCOc1c2c(c(OCC)c3cc(F)ccc13)C(=O)N(c1ccc(CC(=O)O)cc1)C2=O | 10.1016/j.bmcl.2018.03.091 | ||
57394893 | 71304 | 0 | None | 223 | 2 | Rat | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 494 | 10 | 2 | 6 | 4.8 | O=C(O)c1csc(SCCN2C(=O)CC[C@@H]2/C=C/[C@@H](O)Cc2cccc(-c3ccccc3)c2)n1 | 10.1016/j.bmc.2012.02.018 | ||
CHEMBL1957435 | 71304 | 0 | None | 223 | 2 | Rat | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 494 | 10 | 2 | 6 | 4.8 | O=C(O)c1csc(SCCN2C(=O)CC[C@@H]2/C=C/[C@@H](O)Cc2cccc(-c3ccccc3)c2)n1 | 10.1016/j.bmc.2012.02.018 | ||
57394893 | 71304 | 0 | None | 223 | 2 | Rat | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 494 | 10 | 2 | 6 | 4.8 | O=C(O)c1csc(SCCN2C(=O)CC[C@@H]2/C=C/[C@@H](O)Cc2cccc(-c3ccccc3)c2)n1 | 10.1016/j.bmc.2012.04.008 | ||
CHEMBL1957435 | 71304 | 0 | None | 223 | 2 | Rat | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 494 | 10 | 2 | 6 | 4.8 | O=C(O)c1csc(SCCN2C(=O)CC[C@@H]2/C=C/[C@@H](O)Cc2cccc(-c3ccccc3)c2)n1 | 10.1016/j.bmc.2012.04.008 | ||
118517451 | 152867 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 436 | 8 | 2 | 5 | 3.8 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2ccc3c(c2)OCCO3)cc1 | nan | ||
CHEMBL3974337 | 152867 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 436 | 8 | 2 | 5 | 3.8 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2ccc3c(c2)OCCO3)cc1 | nan | ||
90054486 | 152719 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 491 | 11 | 1 | 5 | 4.9 | COC(=O)c1ccc(CCCN2C(=O)C(F)(F)C[C@@H]2/C=C/[C@@H](O)[C@@H](C)CCc2ccccc2)s1 | nan | ||
CHEMBL3973091 | 152719 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 491 | 11 | 1 | 5 | 4.9 | COC(=O)c1ccc(CCCN2C(=O)C(F)(F)C[C@@H]2/C=C/[C@@H](O)[C@@H](C)CCc2ccccc2)s1 | nan | ||
44289922 | 163522 | 0 | None | -4 | 2 | Rat | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 339 | 13 | 2 | 3 | 3.5 | CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)N1CCCCCCC(=O)O | 10.1016/j.bmc.2012.02.018 | ||
CHEMBL42027 | 163522 | 0 | None | -4 | 2 | Rat | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 339 | 13 | 2 | 3 | 3.5 | CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)N1CCCCCCC(=O)O | 10.1016/j.bmc.2012.02.018 | ||
22394738 | 75411 | 0 | None | - | 1 | Rat | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 395 | 12 | 2 | 3 | 4.1 | O=C(O)CCCCCCN1C(=O)CCC1CCC(O)Cc1cccc(Cl)c1 | 10.1016/j.bmcl.2006.01.018 | ||
CHEMBL204058 | 75411 | 0 | None | - | 1 | Rat | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 395 | 12 | 2 | 3 | 4.1 | O=C(O)CCCCCCN1C(=O)CCC1CCC(O)Cc1cccc(Cl)c1 | 10.1016/j.bmcl.2006.01.018 | ||
58932681 | 75170 | 0 | None | - | 1 | Rat | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 549 | 10 | 2 | 8 | 5.2 | Cc1ccc2oc(-c3cccc(C[C@H](O)/C=C/[C@H]4CCC(=O)N4CCSc4nc(C(=O)O)cs4)c3)nc2c1 | 10.1016/j.bmc.2012.04.008 | ||
CHEMBL2036326 | 75170 | 0 | None | - | 1 | Rat | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 549 | 10 | 2 | 8 | 5.2 | Cc1ccc2oc(-c3cccc(C[C@H](O)/C=C/[C@H]4CCC(=O)N4CCSc4nc(C(=O)O)cs4)c3)nc2c1 | 10.1016/j.bmc.2012.04.008 | ||
44290494 | 100273 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 437 | 12 | 2 | 4 | 5.1 | O=C(O)CCCCCCN1C(=O)CC[C@@H]1/C=C/C(O)c1cccc(Oc2ccccc2)c1 | 10.1016/j.bmcl.2004.01.063 | ||
CHEMBL288978 | 100273 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 437 | 12 | 2 | 4 | 5.1 | O=C(O)CCCCCCN1C(=O)CC[C@@H]1/C=C/C(O)c1cccc(Oc2ccccc2)c1 | 10.1016/j.bmcl.2004.01.063 | ||
57893867 | 75155 | 0 | None | - | 1 | Rat | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 492 | 12 | 3 | 4 | 4.9 | O=C(O)CCCSCCN1C(=O)CC[C@@H]1/C=C/[C@@H](O)Cc1cccc(-c2ccc3[nH]ccc3c2)c1 | 10.1016/j.bmc.2012.04.008 | ||
CHEMBL2036311 | 75155 | 0 | None | - | 1 | Rat | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 492 | 12 | 3 | 4 | 4.9 | O=C(O)CCCSCCN1C(=O)CC[C@@H]1/C=C/[C@@H](O)Cc1cccc(-c2ccc3[nH]ccc3c2)c1 | 10.1016/j.bmc.2012.04.008 | ||
57893916 | 75153 | 0 | None | - | 1 | Rat | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 454 | 12 | 2 | 5 | 3.8 | O=C(O)CCCSCCN1C(=O)CC[C@@H]1/C=C/[C@@H](O)Cc1cccc(-c2ccccn2)c1 | 10.1016/j.bmc.2012.04.008 | ||
CHEMBL2036309 | 75153 | 0 | None | - | 1 | Rat | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 454 | 12 | 2 | 5 | 3.8 | O=C(O)CCCSCCN1C(=O)CC[C@@H]1/C=C/[C@@H](O)Cc1cccc(-c2ccccn2)c1 | 10.1016/j.bmc.2012.04.008 | ||
10431288 | 69364 | 0 | None | - | 1 | Rat | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 403 | 12 | 2 | 3 | 4.5 | CCc1cccc(C[C@H](O)/C=C/[C@H]2CCC(=S)N2CCCCCCC(=O)O)c1 | 10.1016/j.bmc.2011.12.009 | ||
CHEMBL1929546 | 69364 | 0 | None | - | 1 | Rat | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 403 | 12 | 2 | 3 | 4.5 | CCc1cccc(C[C@H](O)/C=C/[C@H]2CCC(=S)N2CCCCCCC(=O)O)c1 | 10.1016/j.bmc.2011.12.009 | ||
10348321 | 75169 | 0 | None | - | 1 | Rat | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 585 | 10 | 2 | 8 | 6.0 | O=C(O)c1csc(SCCN2C(=O)CC[C@@H]2/C=C/[C@@H](O)Cc2cccc(-c3nc4cc(Cl)ccc4s3)c2)n1 | 10.1016/j.bmc.2012.04.008 | ||
CHEMBL2036325 | 75169 | 0 | None | - | 1 | Rat | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 585 | 10 | 2 | 8 | 6.0 | O=C(O)c1csc(SCCN2C(=O)CC[C@@H]2/C=C/[C@@H](O)Cc2cccc(-c3nc4cc(Cl)ccc4s3)c2)n1 | 10.1016/j.bmc.2012.04.008 | ||
15979081 | 163838 | 0 | None | -190 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 425 | 12 | 2 | 6 | 5.2 | CCCCCC(C)(O)C/C=C/[C@H]1CCC(=O)[C@@H]1CCSc1nc(C(=O)O)cs1 | 10.1016/j.bmc.2017.11.035 | ||
CHEMBL4206444 | 163838 | 0 | None | -190 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 425 | 12 | 2 | 6 | 5.2 | CCCCCC(C)(O)C/C=C/[C@H]1CCC(=O)[C@@H]1CCSc1nc(C(=O)O)cs1 | 10.1016/j.bmc.2017.11.035 | ||
44409743 | 141297 | 0 | None | - | 1 | Rat | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 419 | 15 | 2 | 4 | 3.6 | COCCc1cccc(C[C@H](O)CC[C@H]2CCC(=O)N2CCCCCCC(=O)O)c1 | 10.1016/j.bmcl.2006.01.018 | ||
CHEMBL383339 | 141297 | 0 | None | - | 1 | Rat | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 419 | 15 | 2 | 4 | 3.6 | COCCc1cccc(C[C@H](O)CC[C@H]2CCC(=O)N2CCCCCCC(=O)O)c1 | 10.1016/j.bmcl.2006.01.018 | ||
10320021 | 69350 | 0 | None | - | 1 | Rat | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 421 | 13 | 2 | 5 | 3.5 | CCCc1cccc(C[C@H](O)/C=C/[C@H]2COC(=O)N2CCSCCCC(=O)O)c1 | 10.1016/j.bmc.2011.12.009 | ||
CHEMBL1929532 | 69350 | 0 | None | - | 1 | Rat | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 421 | 13 | 2 | 5 | 3.5 | CCCc1cccc(C[C@H](O)/C=C/[C@H]2COC(=O)N2CCSCCCC(=O)O)c1 | 10.1016/j.bmc.2011.12.009 | ||
44409923 | 166001 | 0 | None | - | 1 | Rat | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 386 | 12 | 2 | 4 | 3.3 | N#Cc1cccc(C[C@H](O)CC[C@H]2CCC(=O)N2CCCCCCC(=O)O)c1 | 10.1016/j.bmcl.2006.01.018 | ||
CHEMBL425409 | 166001 | 0 | None | - | 1 | Rat | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 386 | 12 | 2 | 4 | 3.3 | N#Cc1cccc(C[C@H](O)CC[C@H]2CCC(=O)N2CCCCCCC(=O)O)c1 | 10.1016/j.bmcl.2006.01.018 | ||
57894081 | 75152 | 0 | None | - | 1 | Rat | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 503 | 12 | 2 | 4 | 5.6 | O=C(O)CCCSCCN1C(=O)CC[C@@H]1/C=C/[C@@H](O)Cc1cccc(-c2ccc3ccccc3c2)c1 | 10.1016/j.bmc.2012.04.008 | ||
CHEMBL2036308 | 75152 | 0 | None | - | 1 | Rat | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 503 | 12 | 2 | 4 | 5.6 | O=C(O)CCCSCCN1C(=O)CC[C@@H]1/C=C/[C@@H](O)Cc1cccc(-c2ccc3ccccc3c2)c1 | 10.1016/j.bmc.2012.04.008 | ||
78319379 | 137475 | 0 | None | - | 1 | Human | 9.6 | pIC50 | = | 9.6 | Functional | ChEMBL | 389 | 5 | 3 | 3 | 4.7 | Cc1ccc(-c2cccc(CO)c2)cc1C(=O)Nc1c(C)cc(C(=O)O)cc1C | 10.1016/j.bmcl.2015.12.057 | ||
CHEMBL3753860 | 137475 | 0 | None | - | 1 | Human | 9.6 | pIC50 | = | 9.6 | Functional | ChEMBL | 389 | 5 | 3 | 3 | 4.7 | Cc1ccc(-c2cccc(CO)c2)cc1C(=O)Nc1c(C)cc(C(=O)O)cc1C | 10.1016/j.bmcl.2015.12.057 | ||
156073557 | 191026 | 0 | None | - | 1 | Human | 9.4 | pIC50 | = | 9.4 | Functional | ChEMBL | 435 | 6 | 2 | 4 | 4.9 | Cc1ccc(Cc2sc3c(c2C(=O)N[C@@H](C)c2ccc(C(=O)O)cc2)CCOC3)cc1 | 10.1021/acs.jmedchem.2c00448 | ||
CHEMBL5186935 | 191026 | 0 | None | - | 1 | Human | 9.4 | pIC50 | = | 9.4 | Functional | ChEMBL | 435 | 6 | 2 | 4 | 4.9 | Cc1ccc(Cc2sc3c(c2C(=O)N[C@@H](C)c2ccc(C(=O)O)cc2)CCOC3)cc1 | 10.1021/acs.jmedchem.2c00448 | ||
118191094 | 137352 | 0 | None | - | 1 | Human | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 444 | 5 | 3 | 4 | 4.8 | Cc1cc(C(=O)O)cc(C)c1NC(=O)c1nc(-c2cccc(CO)c2)ccc1C(F)(F)F | 10.1016/j.bmcl.2015.12.057 | ||
CHEMBL3752948 | 137352 | 0 | None | - | 1 | Human | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 444 | 5 | 3 | 4 | 4.8 | Cc1cc(C(=O)O)cc(C)c1NC(=O)c1nc(-c2cccc(CO)c2)ccc1C(F)(F)F | 10.1016/j.bmcl.2015.12.057 | ||
118191092 | 137471 | 0 | None | - | 1 | Human | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 390 | 5 | 3 | 4 | 4.1 | Cc1ccc(-c2cccc(CO)c2)nc1C(=O)Nc1c(C)cc(C(=O)O)cc1C | 10.1016/j.bmcl.2015.12.057 | ||
CHEMBL3753835 | 137471 | 0 | None | - | 1 | Human | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 390 | 5 | 3 | 4 | 4.1 | Cc1ccc(-c2cccc(CO)c2)nc1C(=O)Nc1c(C)cc(C(=O)O)cc1C | 10.1016/j.bmcl.2015.12.057 | ||
118190924 | 137440 | 0 | None | - | 1 | Human | 9.1 | pIC50 | = | 9.1 | Functional | ChEMBL | 393 | 5 | 3 | 3 | 4.6 | Cc1cc(C(=O)O)cc(C)c1NC(=O)c1cc(-c2cccc(CO)c2)ccc1F | 10.1016/j.bmcl.2015.12.057 | ||
CHEMBL3753567 | 137440 | 0 | None | - | 1 | Human | 9.1 | pIC50 | = | 9.1 | Functional | ChEMBL | 393 | 5 | 3 | 3 | 4.6 | Cc1cc(C(=O)O)cc(C)c1NC(=O)c1cc(-c2cccc(CO)c2)ccc1F | 10.1016/j.bmcl.2015.12.057 | ||
23661014 | 57096 | 0 | None | - | 1 | Human | 9.0 | pIC50 | = | 9.0 | Functional | ChEMBL | 434 | 6 | 2 | 3 | 5.1 | C[C@H](NC(=O)c1cccc2c1N(Cc1ccc(Cl)cc1)CC2)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2010.10.106 | ||
CHEMBL1645135 | 57096 | 0 | None | - | 1 | Human | 9.0 | pIC50 | = | 9.0 | Functional | ChEMBL | 434 | 6 | 2 | 3 | 5.1 | C[C@H](NC(=O)c1cccc2c1N(Cc1ccc(Cl)cc1)CC2)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2010.10.106 | ||
138671614 | 189982 | 0 | None | - | 1 | Human | 9.0 | pIC50 | = | 9 | Functional | ChEMBL | 455 | 6 | 2 | 4 | 5.3 | C[C@H](NC(=O)c1c(Cc2ccc(Cl)cc2)sc2c1CCOC2)c1ccc(C(=O)O)cc1 | 10.1021/acs.jmedchem.2c00448 | ||
CHEMBL5171006 | 189982 | 0 | None | - | 1 | Human | 9.0 | pIC50 | = | 9 | Functional | ChEMBL | 455 | 6 | 2 | 4 | 5.3 | C[C@H](NC(=O)c1c(Cc2ccc(Cl)cc2)sc2c1CCOC2)c1ccc(C(=O)O)cc1 | 10.1021/acs.jmedchem.2c00448 | ||
156073540 | 192204 | 0 | None | - | 1 | Human | 9.0 | pIC50 | = | 9 | Functional | ChEMBL | 501 | 6 | 2 | 4 | 5.5 | O=C(O)c1ccc(C2(NC(=O)c3c(Cc4cccc(C(F)(F)F)c4)sc4c3CCOC4)CC2)cc1 | 10.1021/acs.jmedchem.2c00448 | ||
CHEMBL5204626 | 192204 | 0 | None | - | 1 | Human | 9.0 | pIC50 | = | 9 | Functional | ChEMBL | 501 | 6 | 2 | 4 | 5.5 | O=C(O)c1ccc(C2(NC(=O)c3c(Cc4cccc(C(F)(F)F)c4)sc4c3CCOC4)CC2)cc1 | 10.1021/acs.jmedchem.2c00448 | ||
23661189 | 57095 | 0 | None | - | 1 | Human | 9.0 | pIC50 | = | 9.0 | Functional | ChEMBL | 468 | 6 | 2 | 3 | 5.7 | C[C@H](NC(=O)c1cccc2c1N(Cc1ccc(Cl)c(Cl)c1)CC2)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2010.10.106 | ||
CHEMBL1645134 | 57095 | 0 | None | - | 1 | Human | 9.0 | pIC50 | = | 9.0 | Functional | ChEMBL | 468 | 6 | 2 | 3 | 5.7 | C[C@H](NC(=O)c1cccc2c1N(Cc1ccc(Cl)c(Cl)c1)CC2)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2010.10.106 | ||
118191077 | 136798 | 0 | None | - | 1 | Human | 9.0 | pIC50 | = | 9.0 | Functional | ChEMBL | 425 | 5 | 3 | 3 | 5.6 | Cc1cc(C(=O)O)cc(C)c1NC(=O)c1cc(-c2cccc(CO)c2)cc2ccccc12 | 10.1016/j.bmcl.2015.11.023 | ||
CHEMBL3741430 | 136798 | 0 | None | - | 1 | Human | 9.0 | pIC50 | = | 9.0 | Functional | ChEMBL | 425 | 5 | 3 | 3 | 5.6 | Cc1cc(C(=O)O)cc(C)c1NC(=O)c1cc(-c2cccc(CO)c2)cc2ccccc12 | 10.1016/j.bmcl.2015.11.023 | ||
46890660 | 6656 | 0 | None | - | 1 | Human | 9.0 | pIC50 | = | 9.0 | Functional | ChEMBL | 500 | 6 | 2 | 3 | 6.6 | C[C@H](NC(=O)c1cc(Cl)cc2ccn(Cc3ccc(C(F)(F)F)cc3)c12)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2010.04.065 | ||
CHEMBL1083400 | 6656 | 0 | None | - | 1 | Human | 9.0 | pIC50 | = | 9.0 | Functional | ChEMBL | 500 | 6 | 2 | 3 | 6.6 | C[C@H](NC(=O)c1cc(Cl)cc2ccn(Cc3ccc(C(F)(F)F)cc3)c12)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2010.04.065 | ||
50898361 | 56871 | 0 | None | - | 1 | Human | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 549 | 7 | 2 | 5 | 5.4 | Cc1ccc(S(=O)(=O)NC(=O)NCCc2ccc(-c3c(C(=O)N(C)C)sc4c(C)cc(C)cc34)cc2)cc1 | 10.1016/j.bmcl.2010.11.118 | ||
CHEMBL1644003 | 56871 | 0 | None | - | 1 | Human | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 549 | 7 | 2 | 5 | 5.4 | Cc1ccc(S(=O)(=O)NC(=O)NCCc2ccc(-c3c(C(=O)N(C)C)sc4c(C)cc(C)cc34)cc2)cc1 | 10.1016/j.bmcl.2010.11.118 | ||
25002382 | 7393 | 0 | None | - | 1 | Human | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 512 | 6 | 2 | 3 | 6.5 | O=C(O)c1ccc(C2(NC(=O)c3cc(Cl)cc4ccn(Cc5ccc(C(F)(F)F)cc5)c34)CC2)cc1 | 10.1016/j.bmcl.2010.04.065 | ||
CHEMBL1086490 | 7393 | 0 | None | - | 1 | Human | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 512 | 6 | 2 | 3 | 6.5 | O=C(O)c1ccc(C2(NC(=O)c3cc(Cl)cc4ccn(Cc5ccc(C(F)(F)F)cc5)c34)CC2)cc1 | 10.1016/j.bmcl.2010.04.065 | ||
141730900 | 171112 | 0 | None | 104 | 2 | Human | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 524 | 9 | 2 | 6 | 5.2 | C[C@H](NC(=O)c1c(-c2ccccc2)nnn1CCOc1cccc(C(F)(F)F)c1)c1ccc(C(=O)O)cc1 | 10.1021/acs.jmedchem.9b01269 | ||
CHEMBL4457944 | 171112 | 0 | None | 104 | 2 | Human | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 524 | 9 | 2 | 6 | 5.2 | C[C@H](NC(=O)c1c(-c2ccccc2)nnn1CCOc1cccc(C(F)(F)F)c1)c1ccc(C(=O)O)cc1 | 10.1021/acs.jmedchem.9b01269 | ||
25003075 | 6836 | 18 | None | - | 1 | Human | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 478 | 6 | 2 | 3 | 5.8 | O=C(O)c1ccc(C2(NC(=O)c3cccc4ccn(Cc5ccc(C(F)(F)F)cc5)c34)CC2)cc1 | 10.1016/j.bmcl.2010.04.065 | ||
CHEMBL1084009 | 6836 | 18 | None | - | 1 | Human | 8.9 | pIC50 | = | 8.9 | Functional | 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 | ||
53317509 | 57102 | 0 | None | - | 1 | Human | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 476 | 7 | 2 | 3 | 6.1 | C[C@H](NC(=O)c1cccc2c1N(Cc1ccc(-c3ccccc3)cc1)CC2)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2010.10.106 | ||
CHEMBL1645141 | 57102 | 0 | None | - | 1 | Human | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 476 | 7 | 2 | 3 | 6.1 | C[C@H](NC(=O)c1cccc2c1N(Cc1ccc(-c3ccccc3)cc1)CC2)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2010.10.106 | ||
46890658 | 6956 | 0 | None | - | 1 | Human | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 516 | 7 | 2 | 4 | 6.4 | C[C@H](NC(=O)c1cccc2ccn(Cc3cc(Cl)cc(OC(F)(F)F)c3)c12)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2010.04.065 | ||
CHEMBL1084552 | 6956 | 0 | None | - | 1 | Human | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 516 | 7 | 2 | 4 | 6.4 | C[C@H](NC(=O)c1cccc2ccn(Cc3cc(Cl)cc(OC(F)(F)F)c3)c12)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2010.04.065 | ||
24765768 | 7083 | 0 | None | - | 1 | Human | 8.8 | pIC50 | = | 8.8 | Functional | ChEMBL | 466 | 6 | 2 | 3 | 6.2 | C[C@H](NC(=O)c1cc(Cl)cc2ccn(Cc3cccc(Cl)c3)c12)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2010.04.065 | ||
CHEMBL1085040 | 7083 | 0 | None | - | 1 | Human | 8.8 | pIC50 | = | 8.8 | Functional | ChEMBL | 466 | 6 | 2 | 3 | 6.2 | C[C@H](NC(=O)c1cc(Cl)cc2ccn(Cc3cccc(Cl)c3)c12)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2010.04.065 | ||
118174960 | 137418 | 0 | None | - | 1 | Human | 8.8 | pIC50 | = | 8.8 | Functional | ChEMBL | 394 | 4 | 2 | 3 | 5.3 | Cc1ccc(-c2cccc(Cl)c2)nc1C(=O)Nc1c(C)ccc(C(=O)O)c1C | 10.1016/j.bmcl.2015.12.057 | ||
CHEMBL3753372 | 137418 | 0 | None | - | 1 | Human | 8.8 | pIC50 | = | 8.8 | Functional | ChEMBL | 394 | 4 | 2 | 3 | 5.3 | Cc1ccc(-c2cccc(Cl)c2)nc1C(=O)Nc1c(C)ccc(C(=O)O)c1C | 10.1016/j.bmcl.2015.12.057 | ||
24953285 | 200867 | 0 | None | - | 1 | Human | 8.8 | pIC50 | = | 8.8 | Functional | ChEMBL | 453 | 6 | 2 | 3 | 5.9 | O=C(O)c1ccc(CNC(=O)c2c(Cl)sc(Cl)c2Cc2cccc(Cl)c2)cc1 | 10.1021/jm901771h | ||
CHEMBL601299 | 200867 | 0 | None | - | 1 | Human | 8.8 | pIC50 | = | 8.8 | Functional | ChEMBL | 453 | 6 | 2 | 3 | 5.9 | O=C(O)c1ccc(CNC(=O)c2c(Cl)sc(Cl)c2Cc2cccc(Cl)c2)cc1 | 10.1021/jm901771h | ||
86707361 | 139355 | 0 | None | - | 1 | Human | 8.8 | pIC50 | = | 8.8 | Functional | ChEMBL | 403 | 4 | 2 | 4 | 4.2 | Cc1ccc(N2CCC(F)(F)CC2)nc1C(=O)Nc1c(C)cc(C(=O)O)cc1C | 10.1016/j.bmcl.2016.03.041 | ||
CHEMBL3793002 | 139355 | 0 | None | - | 1 | Human | 8.8 | pIC50 | = | 8.8 | Functional | ChEMBL | 403 | 4 | 2 | 4 | 4.2 | Cc1ccc(N2CCC(F)(F)CC2)nc1C(=O)Nc1c(C)cc(C(=O)O)cc1C | 10.1016/j.bmcl.2016.03.041 | ||
138671623 | 191216 | 0 | None | 1 | 2 | Human | 8.8 | pIC50 | = | 8.8 | Functional | ChEMBL | 489 | 6 | 2 | 4 | 5.6 | C[C@H](NC(=O)c1c(Cc2cccc(C(F)(F)F)c2)sc2c1CCOC2)c1ccc(C(=O)O)cc1 | 10.1021/acs.jmedchem.2c00448 | ||
CHEMBL5189703 | 191216 | 0 | None | 1 | 2 | Human | 8.8 | pIC50 | = | 8.8 | Functional | ChEMBL | 489 | 6 | 2 | 4 | 5.6 | C[C@H](NC(=O)c1c(Cc2cccc(C(F)(F)F)c2)sc2c1CCOC2)c1ccc(C(=O)O)cc1 | 10.1021/acs.jmedchem.2c00448 | ||
24953283 | 199446 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 467 | 6 | 2 | 3 | 6.5 | C[C@@H](NC(=O)c1c(Cl)sc(Cl)c1Cc1cccc(Cl)c1)c1ccc(C(=O)O)cc1 | 10.1021/jm901771h | ||
CHEMBL591431 | 199446 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 467 | 6 | 2 | 3 | 6.5 | C[C@@H](NC(=O)c1c(Cl)sc(Cl)c1Cc1cccc(Cl)c1)c1ccc(C(=O)O)cc1 | 10.1021/jm901771h | ||
25003075 | 6836 | 18 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 478 | 6 | 2 | 3 | 5.8 | O=C(O)c1ccc(C2(NC(=O)c3cccc4ccn(Cc5ccc(C(F)(F)F)cc5)c34)CC2)cc1 | 10.1016/j.bmcl.2010.04.065 | ||
CHEMBL1084009 | 6836 | 18 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | 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 | ||
138671613 | 190544 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 469 | 7 | 2 | 5 | 4.7 | COc1ccc(Cc2sc3c(c2C(=O)N[C@@H](C)c2ccc(C(=O)O)cc2)CCOC3)cc1F | 10.1021/acs.jmedchem.2c00448 | ||
CHEMBL5179874 | 190544 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 469 | 7 | 2 | 5 | 4.7 | COc1ccc(Cc2sc3c(c2C(=O)N[C@@H](C)c2ccc(C(=O)O)cc2)CCOC3)cc1F | 10.1021/acs.jmedchem.2c00448 | ||
156073538 | 191409 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 451 | 7 | 2 | 5 | 4.6 | COc1cccc(Cc2sc3c(c2C(=O)N[C@@H](C)c2ccc(C(=O)O)cc2)CCOC3)c1 | 10.1021/acs.jmedchem.2c00448 | ||
CHEMBL5192663 | 191409 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 451 | 7 | 2 | 5 | 4.6 | COc1cccc(Cc2sc3c(c2C(=O)N[C@@H](C)c2ccc(C(=O)O)cc2)CCOC3)c1 | 10.1021/acs.jmedchem.2c00448 | ||
118191093 | 137405 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 444 | 5 | 3 | 4 | 4.8 | Cc1ccc(C(=O)O)c(C)c1NC(=O)c1nc(-c2cccc(CO)c2)ccc1C(F)(F)F | 10.1016/j.bmcl.2015.12.057 | ||
CHEMBL3753286 | 137405 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 444 | 5 | 3 | 4 | 4.8 | Cc1ccc(C(=O)O)c(C)c1NC(=O)c1nc(-c2cccc(CO)c2)ccc1C(F)(F)F | 10.1016/j.bmcl.2015.12.057 | ||
138670958 | 190669 | 0 | None | 1 | 2 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 437 | 7 | 2 | 3 | 5.4 | C[C@H](NC(=O)c1c(CCc2ccc(F)cc2)sc2c1CCC2)c1ccc(C(=O)O)cc1 | 10.1021/acs.jmedchem.2c00448 | ||
CHEMBL5181722 | 190669 | 0 | None | 1 | 2 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 437 | 7 | 2 | 3 | 5.4 | C[C@H](NC(=O)c1c(CCc2ccc(F)cc2)sc2c1CCC2)c1ccc(C(=O)O)cc1 | 10.1021/acs.jmedchem.2c00448 | ||
155524726 | 170966 | 0 | None | 12 | 2 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 444 | 7 | 2 | 5 | 4.0 | C/C=C/c1nnn(Cc2ccc(C(F)(F)F)cc2)c1C(=O)NCc1ccc(C(=O)O)cc1 | 10.1021/acs.jmedchem.9b01269 | ||
CHEMBL4455965 | 170966 | 0 | None | 12 | 2 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 444 | 7 | 2 | 5 | 4.0 | C/C=C/c1nnn(Cc2ccc(C(F)(F)F)cc2)c1C(=O)NCc1ccc(C(=O)O)cc1 | 10.1021/acs.jmedchem.9b01269 | ||
57396195 | 67847 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 467 | 4 | 2 | 3 | 5.7 | O=C(O)c1ccc(C2(NC(=O)c3cccc4c3Oc3cc(C(F)(F)F)ccc3CC4)CC2)cc1 | 10.1016/j.bmcl.2011.08.102 | ||
CHEMBL1910023 | 67847 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 467 | 4 | 2 | 3 | 5.7 | O=C(O)c1ccc(C2(NC(=O)c3cccc4c3Oc3cc(C(F)(F)F)ccc3CC4)CC2)cc1 | 10.1016/j.bmcl.2011.08.102 | ||
58905368 | 156372 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 399 | 6 | 2 | 3 | 4.9 | O=C(O)c1ccc(CNC(=O)c2cc(Cl)ccc2Oc2ccc(F)cc2)cc1 | 10.1016/j.bmcl.2017.01.067 | ||
CHEMBL4066230 | 156372 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 399 | 6 | 2 | 3 | 4.9 | O=C(O)c1ccc(CNC(=O)c2cc(Cl)ccc2Oc2ccc(F)cc2)cc1 | 10.1016/j.bmcl.2017.01.067 | ||
56944705 | 129211 | 41 | None | -11 | 2 | Mouse | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 483 | 7 | 2 | 5 | 5.4 | C[C@H](NC(=O)c1c(C(F)F)nn(C)c1Oc1cccc(C(F)(F)F)c1)c1ccc(C(=O)O)cc1 | 10.1021/acs.jmedchem.2c00448 | ||
CHEMBL3670685 | 129211 | 41 | None | -11 | 2 | Mouse | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 483 | 7 | 2 | 5 | 5.4 | C[C@H](NC(=O)c1c(C(F)F)nn(C)c1Oc1cccc(C(F)(F)F)c1)c1ccc(C(=O)O)cc1 | 10.1021/acs.jmedchem.2c00448 | ||
25019434 | 57692 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 673 | 12 | 2 | 8 | 5.9 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)NS(=O)(=O)c4c(OC)cccc4OC)CC3)cc1C)C2 | 10.1016/j.bmcl.2010.12.014 | ||
CHEMBL1669005 | 57692 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 673 | 12 | 2 | 8 | 5.9 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)NS(=O)(=O)c4c(OC)cccc4OC)CC3)cc1C)C2 | 10.1016/j.bmcl.2010.12.014 | ||
24952929 | 2552 | 42 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 473 | 6 | 2 | 3 | 6.1 | OC(=O)c1ccc(cc1)C1(CC1)NC(=O)c1c(C)sc(c1Cc1ccc(cc1)C(F)(F)F)C | 10.1021/jm901771h | ||
4041 | 2552 | 42 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 473 | 6 | 2 | 3 | 6.1 | OC(=O)c1ccc(cc1)C1(CC1)NC(=O)c1c(C)sc(c1Cc1ccc(cc1)C(F)(F)F)C | 10.1021/jm901771h | ||
CHEMBL597997 | 2552 | 42 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 473 | 6 | 2 | 3 | 6.1 | OC(=O)c1ccc(cc1)C1(CC1)NC(=O)c1c(C)sc(c1Cc1ccc(cc1)C(F)(F)F)C | 10.1021/jm901771h | ||
71186338 | 145783 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 482 | 6 | 2 | 3 | 4.8 | O=C(O)c1ccc(C2(NC(=O)C3CC(F)(F)CCN3Cc3ccc(C(F)(F)F)cc3)CC2)cc1 | nan | ||
CHEMBL3916857 | 145783 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 482 | 6 | 2 | 3 | 4.8 | O=C(O)c1ccc(C2(NC(=O)C3CC(F)(F)CCN3Cc3ccc(C(F)(F)F)cc3)CC2)cc1 | nan | ||
118174952 | 136820 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 396 | 4 | 2 | 3 | 5.5 | Cc1cc(C(=O)O)cc(C)c1NC(=O)c1cc(-c2ccccc2)nc2ccccc12 | 10.1016/j.bmcl.2015.11.023 | ||
CHEMBL3741642 | 136820 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 396 | 4 | 2 | 3 | 5.5 | Cc1cc(C(=O)O)cc(C)c1NC(=O)c1cc(-c2ccccc2)nc2ccccc12 | 10.1016/j.bmcl.2015.11.023 | ||
71186249 | 150386 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 458 | 6 | 2 | 3 | 4.4 | O=C(O)c1ccc(C2(NC(=O)C3CC4CC4CN3Cc3ccc(C(F)(F)F)cc3)CC2)cc1 | nan | ||
CHEMBL3953493 | 150386 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 458 | 6 | 2 | 3 | 4.4 | O=C(O)c1ccc(C2(NC(=O)C3CC4CC4CN3Cc3ccc(C(F)(F)F)cc3)CC2)cc1 | nan | ||
11677589 | 1857 | 56 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 491 | 7 | 2 | 6 | 4.1 | CCc1nc2c(n1c1ccc(cc1)CCNC(=O)NS(=O)(=O)c1ccc(cc1)C)cc(nc2C)C | 10.1016/j.bmcl.2016.03.041 | ||
5858 | 1857 | 56 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 491 | 7 | 2 | 6 | 4.1 | CCc1nc2c(n1c1ccc(cc1)CCNC(=O)NS(=O)(=O)c1ccc(cc1)C)cc(nc2C)C | 10.1016/j.bmcl.2016.03.041 | ||
CHEMBL3039498 | 1857 | 56 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 491 | 7 | 2 | 6 | 4.1 | CCc1nc2c(n1c1ccc(cc1)CCNC(=O)NS(=O)(=O)c1ccc(cc1)C)cc(nc2C)C | 10.1016/j.bmcl.2016.03.041 | ||
DB12836 | 1857 | 56 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 491 | 7 | 2 | 6 | 4.1 | CCc1nc2c(n1c1ccc(cc1)CCNC(=O)NS(=O)(=O)c1ccc(cc1)C)cc(nc2C)C | 10.1016/j.bmcl.2016.03.041 | ||
11677589 | 1857 | 56 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 491 | 7 | 2 | 6 | 4.1 | CCc1nc2c(n1c1ccc(cc1)CCNC(=O)NS(=O)(=O)c1ccc(cc1)C)cc(nc2C)C | 10.1016/j.bmcl.2015.11.023 | ||
5858 | 1857 | 56 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 491 | 7 | 2 | 6 | 4.1 | CCc1nc2c(n1c1ccc(cc1)CCNC(=O)NS(=O)(=O)c1ccc(cc1)C)cc(nc2C)C | 10.1016/j.bmcl.2015.11.023 | ||
CHEMBL3039498 | 1857 | 56 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 491 | 7 | 2 | 6 | 4.1 | CCc1nc2c(n1c1ccc(cc1)CCNC(=O)NS(=O)(=O)c1ccc(cc1)C)cc(nc2C)C | 10.1016/j.bmcl.2015.11.023 | ||
DB12836 | 1857 | 56 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 491 | 7 | 2 | 6 | 4.1 | CCc1nc2c(n1c1ccc(cc1)CCNC(=O)NS(=O)(=O)c1ccc(cc1)C)cc(nc2C)C | 10.1016/j.bmcl.2015.11.023 | ||
11677589 | 1857 | 56 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 491 | 7 | 2 | 6 | 4.1 | CCc1nc2c(n1c1ccc(cc1)CCNC(=O)NS(=O)(=O)c1ccc(cc1)C)cc(nc2C)C | 10.1016/j.bmcl.2015.05.091 | ||
5858 | 1857 | 56 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 491 | 7 | 2 | 6 | 4.1 | CCc1nc2c(n1c1ccc(cc1)CCNC(=O)NS(=O)(=O)c1ccc(cc1)C)cc(nc2C)C | 10.1016/j.bmcl.2015.05.091 | ||
CHEMBL3039498 | 1857 | 56 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 491 | 7 | 2 | 6 | 4.1 | CCc1nc2c(n1c1ccc(cc1)CCNC(=O)NS(=O)(=O)c1ccc(cc1)C)cc(nc2C)C | 10.1016/j.bmcl.2015.05.091 | ||
DB12836 | 1857 | 56 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 491 | 7 | 2 | 6 | 4.1 | CCc1nc2c(n1c1ccc(cc1)CCNC(=O)NS(=O)(=O)c1ccc(cc1)C)cc(nc2C)C | 10.1016/j.bmcl.2015.05.091 | ||
24765671 | 6955 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 466 | 6 | 2 | 3 | 5.9 | C[C@H](NC(=O)c1cccc2ccn(Cc3cccc(C(F)(F)F)c3)c12)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2010.04.065 | ||
CHEMBL1084551 | 6955 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 466 | 6 | 2 | 3 | 5.9 | C[C@H](NC(=O)c1cccc2ccn(Cc3cccc(C(F)(F)F)c3)c12)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2010.04.065 | ||
76284214 | 175785 | 0 | None | -8 | 2 | Mouse | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 409 | 5 | 1 | 4 | 5.9 | CCn1c2ccccc2c2cc(-c3nc4cc(C(=O)O)ccc4n3CC3CC3)ccc21 | 10.1021/acs.jmedchem.8b01862 | ||
CHEMBL4584103 | 175785 | 0 | None | -8 | 2 | Mouse | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 409 | 5 | 1 | 4 | 5.9 | CCn1c2ccccc2c2cc(-c3nc4cc(C(=O)O)ccc4n3CC3CC3)ccc21 | 10.1021/acs.jmedchem.8b01862 | ||
53322911 | 57108 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 456 | 6 | 2 | 3 | 5.7 | C[C@H](NC(=O)c1cccc2c1N(Cc1ccc(C(C)(C)C)cc1)CC2)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2010.10.106 | ||
CHEMBL1645147 | 57108 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 456 | 6 | 2 | 3 | 5.7 | C[C@H](NC(=O)c1cccc2c1N(Cc1ccc(C(C)(C)C)cc1)CC2)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2010.10.106 | ||
155555513 | 174450 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 500 | 7 | 2 | 6 | 4.3 | C[C@H](NC(=O)c1c(C2=CCOCC2)nnn1Cc1ccc(C(F)(F)F)cc1)c1ccc(C(=O)O)cc1 | 10.1021/acs.jmedchem.9b01269 | ||
CHEMBL4553892 | 174450 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 500 | 7 | 2 | 6 | 4.3 | C[C@H](NC(=O)c1c(C2=CCOCC2)nnn1Cc1ccc(C(F)(F)F)cc1)c1ccc(C(=O)O)cc1 | 10.1021/acs.jmedchem.9b01269 | ||
155552440 | 174054 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 486 | 9 | 2 | 7 | 4.2 | COc1ccc(Cn2nnc(-c3ccccc3)c2C(=O)N[C@@H](C)c2ccc(C(=O)O)cc2)cc1OC | 10.1021/acs.jmedchem.9b01269 | ||
CHEMBL4544033 | 174054 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 486 | 9 | 2 | 7 | 4.2 | COc1ccc(Cn2nnc(-c3ccccc3)c2C(=O)N[C@@H](C)c2ccc(C(=O)O)cc2)cc1OC | 10.1021/acs.jmedchem.9b01269 | ||
72695136 | 131333 | 2 | None | 2 | 2 | Rat | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 383 | 4 | 3 | 5 | 2.9 | Cc1ccc(N2CCC(O)CC2)nc1C(=O)Nc1c(C)cc(C(=O)O)cc1C | 10.1016/j.bmcl.2016.03.041 | ||
CHEMBL3686863 | 131333 | 2 | None | 2 | 2 | Rat | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 383 | 4 | 3 | 5 | 2.9 | Cc1ccc(N2CCC(O)CC2)nc1C(=O)Nc1c(C)cc(C(=O)O)cc1C | 10.1016/j.bmcl.2016.03.041 | ||
24952577 | 200559 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 399 | 6 | 2 | 3 | 5.2 | C[C@H](NC(=O)c1cscc1Cc1cccc(Cl)c1)c1ccc(C(=O)O)cc1 | 10.1021/jm901771h | ||
CHEMBL599051 | 200559 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 399 | 6 | 2 | 3 | 5.2 | C[C@H](NC(=O)c1cscc1Cc1cccc(Cl)c1)c1ccc(C(=O)O)cc1 | 10.1021/jm901771h | ||
156073551 | 192003 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 461 | 5 | 2 | 5 | 4.4 | COc1cccc(C#Cc2sc3c(c2C(=O)N[C@@H](C)c2ccc(C(=O)O)cc2)CCOC3)c1 | 10.1021/acs.jmedchem.2c00448 | ||
CHEMBL5201557 | 192003 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 461 | 5 | 2 | 5 | 4.4 | COc1cccc(C#Cc2sc3c(c2C(=O)N[C@@H](C)c2ccc(C(=O)O)cc2)CCOC3)c1 | 10.1021/acs.jmedchem.2c00448 | ||
76284214 | 175785 | 0 | None | 8 | 2 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 409 | 5 | 1 | 4 | 5.9 | CCn1c2ccccc2c2cc(-c3nc4cc(C(=O)O)ccc4n3CC3CC3)ccc21 | 10.1021/acs.jmedchem.8b01862 | ||
CHEMBL4584103 | 175785 | 0 | None | 8 | 2 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 409 | 5 | 1 | 4 | 5.9 | CCn1c2ccccc2c2cc(-c3nc4cc(C(=O)O)ccc4n3CC3CC3)ccc21 | 10.1021/acs.jmedchem.8b01862 | ||
141730914 | 174886 | 0 | None | 2 | 2 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 500 | 7 | 2 | 6 | 5.3 | C[C@H](NC(=O)c1c(-c2ccsc2)nnn1Cc1ccc(C(F)(F)F)cc1)c1ccc(C(=O)O)cc1 | 10.1021/acs.jmedchem.9b01269 | ||
CHEMBL4564092 | 174886 | 0 | None | 2 | 2 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 500 | 7 | 2 | 6 | 5.3 | C[C@H](NC(=O)c1c(-c2ccsc2)nnn1Cc1ccc(C(F)(F)F)cc1)c1ccc(C(=O)O)cc1 | 10.1021/acs.jmedchem.9b01269 | ||
137646517 | 157824 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 414 | 6 | 2 | 4 | 4.9 | C[C@@H](NC(=O)c1cc(Cl)cnc1Oc1ccc(F)cc1)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2017.01.067 | ||
CHEMBL4083413 | 157824 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 414 | 6 | 2 | 4 | 4.9 | C[C@@H](NC(=O)c1cc(Cl)cnc1Oc1ccc(F)cc1)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2017.01.067 | ||
1351369 | 136829 | 12 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 352 | 3 | 1 | 2 | 5.8 | Cc1cccc(C)c1NC(=O)c1cc(-c2ccccc2)nc2ccccc12 | 10.1016/j.bmcl.2015.11.023 | ||
CHEMBL3741710 | 136829 | 12 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 352 | 3 | 1 | 2 | 5.8 | Cc1cccc(C)c1NC(=O)c1cc(-c2ccccc2)nc2ccccc12 | 10.1016/j.bmcl.2015.11.023 | ||
11524454 | 945 | 55 | None | 52 | 2 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 413 | 6 | 2 | 3 | 5.5 | Clc1ccc(c(c1)C(=O)N[C@H](c1ccc(cc1)C(=O)O)C)Oc1ccc(cc1)F | 10.1016/j.bmcl.2011.08.102 | ||
5857 | 945 | 55 | None | 52 | 2 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 413 | 6 | 2 | 3 | 5.5 | Clc1ccc(c(c1)C(=O)N[C@H](c1ccc(cc1)C(=O)O)C)Oc1ccc(cc1)F | 10.1016/j.bmcl.2011.08.102 | ||
CHEMBL591666 | 945 | 55 | None | 52 | 2 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 413 | 6 | 2 | 3 | 5.5 | Clc1ccc(c(c1)C(=O)N[C@H](c1ccc(cc1)C(=O)O)C)Oc1ccc(cc1)F | 10.1016/j.bmcl.2011.08.102 | ||
156073552 | 192479 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 453 | 7 | 2 | 4 | 4.9 | C[C@H](NC(=O)c1c(CCc2ccc(F)cc2)sc2c1COCC2)c1ccc(C(=O)O)cc1 | 10.1021/acs.jmedchem.2c00448 | ||
CHEMBL5208903 | 192479 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 453 | 7 | 2 | 4 | 4.9 | C[C@H](NC(=O)c1c(CCc2ccc(F)cc2)sc2c1COCC2)c1ccc(C(=O)O)cc1 | 10.1021/acs.jmedchem.2c00448 | ||
155555000 | 174331 | 0 | None | 15 | 2 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 450 | 7 | 2 | 5 | 4.0 | C/C=C/c1nnn(Cc2ccc(C(F)(F)F)cc2)c1C(=O)NCC1CCC(C(=O)O)CC1 | 10.1021/acs.jmedchem.9b01269 | ||
CHEMBL4550862 | 174331 | 0 | None | 15 | 2 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 450 | 7 | 2 | 5 | 4.0 | C/C=C/c1nnn(Cc2ccc(C(F)(F)F)cc2)c1C(=O)NCC1CCC(C(=O)O)CC1 | 10.1021/acs.jmedchem.9b01269 | ||
155554096 | 175441 | 0 | None | 2 | 2 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 470 | 7 | 2 | 5 | 4.5 | C/C=C/c1nnn(Cc2ccc(C(F)(F)F)cc2)c1C(=O)NC1(c2ccc(C(=O)O)cc2)CC1 | 10.1021/acs.jmedchem.9b01269 | ||
CHEMBL4576681 | 175441 | 0 | None | 2 | 2 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 470 | 7 | 2 | 5 | 4.5 | C/C=C/c1nnn(Cc2ccc(C(F)(F)F)cc2)c1C(=O)NC1(c2ccc(C(=O)O)cc2)CC1 | 10.1021/acs.jmedchem.9b01269 | ||
155524726 | 170966 | 0 | None | -12 | 2 | Mouse | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 444 | 7 | 2 | 5 | 4.0 | C/C=C/c1nnn(Cc2ccc(C(F)(F)F)cc2)c1C(=O)NCc1ccc(C(=O)O)cc1 | 10.1021/acs.jmedchem.9b01269 | ||
CHEMBL4455965 | 170966 | 0 | None | -12 | 2 | Mouse | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 444 | 7 | 2 | 5 | 4.0 | C/C=C/c1nnn(Cc2ccc(C(F)(F)F)cc2)c1C(=O)NCc1ccc(C(=O)O)cc1 | 10.1021/acs.jmedchem.9b01269 | ||
141730916 | 169789 | 0 | None | -42 | 2 | Mouse | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 474 | 9 | 2 | 6 | 4.4 | C[C@H](NC(=O)c1c(-c2ccccc2)nnn1CCOc1ccc(F)cc1)c1ccc(C(=O)O)cc1 | 10.1021/acs.jmedchem.9b01269 | ||
CHEMBL4439228 | 169789 | 0 | None | -42 | 2 | Mouse | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 474 | 9 | 2 | 6 | 4.4 | C[C@H](NC(=O)c1c(-c2ccccc2)nnn1CCOc1ccc(F)cc1)c1ccc(C(=O)O)cc1 | 10.1021/acs.jmedchem.9b01269 | ||
76283442 | 175939 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 412 | 6 | 1 | 5 | 4.6 | CCn1c2ccccc2c2cc(-c3nc4cc(C(N)=O)ccc4n3CCOC)ccc21 | 10.1021/acs.jmedchem.8b01862 | ||
CHEMBL4587734 | 175939 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 412 | 6 | 1 | 5 | 4.6 | CCn1c2ccccc2c2cc(-c3nc4cc(C(N)=O)ccc4n3CCOC)ccc21 | 10.1021/acs.jmedchem.8b01862 | ||
141730900 | 171112 | 0 | None | -104 | 2 | Mouse | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 524 | 9 | 2 | 6 | 5.2 | C[C@H](NC(=O)c1c(-c2ccccc2)nnn1CCOc1cccc(C(F)(F)F)c1)c1ccc(C(=O)O)cc1 | 10.1021/acs.jmedchem.9b01269 | ||
CHEMBL4457944 | 171112 | 0 | None | -104 | 2 | Mouse | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 524 | 9 | 2 | 6 | 5.2 | C[C@H](NC(=O)c1c(-c2ccccc2)nnn1CCOc1cccc(C(F)(F)F)c1)c1ccc(C(=O)O)cc1 | 10.1021/acs.jmedchem.9b01269 | ||
58905363 | 159581 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 431 | 6 | 2 | 5 | 4.8 | C[C@H](NC(=O)c1cc(Cl)cnc1Oc1cncc(Cl)c1)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2017.01.067 | ||
CHEMBL4102924 | 159581 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 431 | 6 | 2 | 5 | 4.8 | C[C@H](NC(=O)c1cc(Cl)cnc1Oc1cncc(Cl)c1)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2017.01.067 | ||
86707350 | 139436 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 397 | 5 | 3 | 5 | 3.2 | Cc1ccc(N2CCCC(CO)C2)nc1C(=O)Nc1c(C)ccc(C(=O)O)c1C | 10.1016/j.bmcl.2016.03.041 | ||
CHEMBL3793928 | 139436 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 397 | 5 | 3 | 5 | 3.2 | Cc1ccc(N2CCCC(CO)C2)nc1C(=O)Nc1c(C)ccc(C(=O)O)c1C | 10.1016/j.bmcl.2016.03.041 | ||
89914445 | 122592 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 410 | 9 | 2 | 4 | 3.9 | CC[C@H](NC(=O)[C@H]1CCCCN1CCOc1ccccc1)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2015.05.091 | ||
CHEMBL3600787 | 122592 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 410 | 9 | 2 | 4 | 3.9 | CC[C@H](NC(=O)[C@H]1CCCCN1CCOc1ccccc1)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2015.05.091 | ||
CHEMBL3601950 | 122592 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 410 | 9 | 2 | 4 | 3.9 | CC[C@H](NC(=O)[C@H]1CCCCN1CCOc1ccccc1)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2015.05.091 | ||
76281723 | 172492 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 586 | 8 | 1 | 7 | 6.3 | CCn1c2ccccc2c2cc(-c3nc4cc(C(=O)NS(=O)(=O)c5cccc(Cl)c5)ccc4n3CCOC)ccc21 | 10.1021/acs.jmedchem.8b01862 | ||
CHEMBL4483339 | 172492 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 586 | 8 | 1 | 7 | 6.3 | CCn1c2ccccc2c2cc(-c3nc4cc(C(=O)NS(=O)(=O)c5cccc(Cl)c5)ccc4n3CCOC)ccc21 | 10.1021/acs.jmedchem.8b01862 | ||
155555737 | 174449 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 413 | 6 | 1 | 5 | 5.2 | CCn1c2ccccc2c2cc(-c3nc4ccc(C(=O)O)cc4n3CCOC)ccc21 | 10.1021/acs.jmedchem.8b01862 | ||
CHEMBL4553842 | 174449 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 413 | 6 | 1 | 5 | 5.2 | CCn1c2ccccc2c2cc(-c3nc4ccc(C(=O)O)cc4n3CCOC)ccc21 | 10.1021/acs.jmedchem.8b01862 | ||
58905345 | 158891 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 398 | 6 | 2 | 4 | 4.3 | C[C@H](NC(=O)c1cc(F)cnc1Oc1ccc(F)cc1)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2017.01.067 | ||
CHEMBL4095293 | 158891 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 398 | 6 | 2 | 4 | 4.3 | C[C@H](NC(=O)c1cc(F)cnc1Oc1ccc(F)cc1)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2017.01.067 | ||
155519679 | 170421 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 462 | 7 | 2 | 5 | 4.5 | C[C@H](NC(=O)c1c(-c2ccccc2)nnn1Cc1ccc(F)c(F)c1)c1ccc(C(=O)O)cc1 | 10.1021/acs.jmedchem.9b01269 | ||
CHEMBL4448318 | 170421 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 462 | 7 | 2 | 5 | 4.5 | C[C@H](NC(=O)c1c(-c2ccccc2)nnn1Cc1ccc(F)c(F)c1)c1ccc(C(=O)O)cc1 | 10.1021/acs.jmedchem.9b01269 | ||
155542414 | 173143 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 519 | 8 | 1 | 7 | 4.0 | CCn1c2ccccc2c2cc(-c3nc4cc(C(=O)NS(=O)(=O)N(C)C)ccc4n3CCOC)ccc21 | 10.1021/acs.jmedchem.8b01862 | ||
CHEMBL4521321 | 173143 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 519 | 8 | 1 | 7 | 4.0 | CCn1c2ccccc2c2cc(-c3nc4cc(C(=O)NS(=O)(=O)N(C)C)ccc4n3CCOC)ccc21 | 10.1021/acs.jmedchem.8b01862 | ||
72695027 | 106264 | 0 | None | 2 | 3 | Rat | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 396 | 8 | 2 | 4 | 3.5 | C[C@H](NC(=O)[C@H]1CCCCN1CCOc1ccccc1)c1ccc(C(=O)O)cc1 | 10.1021/ml5000367 | ||
CHEMBL3115074 | 106264 | 0 | None | 2 | 3 | Rat | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 396 | 8 | 2 | 4 | 3.5 | C[C@H](NC(=O)[C@H]1CCCCN1CCOc1ccccc1)c1ccc(C(=O)O)cc1 | 10.1021/ml5000367 | ||
CHEMBL3138992 | 106264 | 0 | None | 2 | 3 | Rat | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 396 | 8 | 2 | 4 | 3.5 | C[C@H](NC(=O)[C@H]1CCCCN1CCOc1ccccc1)c1ccc(C(=O)O)cc1 | 10.1021/ml5000367 | ||
71186604 | 149298 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 482 | 6 | 2 | 3 | 4.8 | O=C(O)c1ccc(C2(NC(=O)C3CC(F)(F)CCN3Cc3cccc(C(F)(F)F)c3)CC2)cc1 | nan | ||
CHEMBL3944767 | 149298 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 482 | 6 | 2 | 3 | 4.8 | O=C(O)c1ccc(C2(NC(=O)C3CC(F)(F)CCN3Cc3cccc(C(F)(F)F)c3)CC2)cc1 | nan | ||
12783 | 578 | 24 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 441 | 6 | 1 | 5 | 5.8 | O=C(O)C1=CC=C2N(CCOC)C(C3=CC=C4N(CC)C=5C=CC(=CC5C4=C3)C)=NC2=C1C | 10.1021/acs.jmedchem.8b01862 | ||
90202558 | 578 | 24 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 441 | 6 | 1 | 5 | 5.8 | O=C(O)C1=CC=C2N(CCOC)C(C3=CC=C4N(CC)C=5C=CC(=CC5C4=C3)C)=NC2=C1C | 10.1021/acs.jmedchem.8b01862 | ||
CHEMBL4526403 | 578 | 24 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 441 | 6 | 1 | 5 | 5.8 | O=C(O)C1=CC=C2N(CCOC)C(C3=CC=C4N(CC)C=5C=CC(=CC5C4=C3)C)=NC2=C1C | 10.1021/acs.jmedchem.8b01862 | ||
138670556 | 190299 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 449 | 4 | 2 | 4 | 4.5 | C[C@H](NC(=O)c1c(C#Cc2ccc(F)cc2)sc2c1CCOC2)c1ccc(C(=O)O)cc1 | 10.1021/acs.jmedchem.2c00448 | ||
CHEMBL5175990 | 190299 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 449 | 4 | 2 | 4 | 4.5 | C[C@H](NC(=O)c1c(C#Cc2ccc(F)cc2)sc2c1CCOC2)c1ccc(C(=O)O)cc1 | 10.1021/acs.jmedchem.2c00448 | ||
155559561 | 174847 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 447 | 6 | 1 | 5 | 5.8 | CCn1c2ccccc2c2cc(-c3nc4c(Cl)c(C(=O)O)ccc4n3CCOC)ccc21 | 10.1021/acs.jmedchem.8b01862 | ||
CHEMBL4563081 | 174847 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 447 | 6 | 1 | 5 | 5.8 | CCn1c2ccccc2c2cc(-c3nc4c(Cl)c(C(=O)O)ccc4n3CCOC)ccc21 | 10.1021/acs.jmedchem.8b01862 | ||
76284215 | 173127 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 427 | 7 | 1 | 5 | 5.6 | CCn1c2ccccc2c2cc(-c3nc4cc(C(=O)O)ccc4n3CCCOC)ccc21 | 10.1021/acs.jmedchem.8b01862 | ||
CHEMBL4520842 | 173127 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 427 | 7 | 1 | 5 | 5.6 | CCn1c2ccccc2c2cc(-c3nc4cc(C(=O)O)ccc4n3CCCOC)ccc21 | 10.1021/acs.jmedchem.8b01862 | ||
71502472 | 160414 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 444 | 6 | 2 | 3 | 4.2 | O=C(O)c1ccc(C2(NC(=O)[C@H]3C[C@H]4C[C@H]4N3Cc3cccc(C(F)(F)F)c3)CC2)cc1 | nan | ||
CHEMBL4111368 | 160414 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 444 | 6 | 2 | 3 | 4.2 | O=C(O)c1ccc(C2(NC(=O)[C@H]3C[C@H]4C[C@H]4N3Cc3cccc(C(F)(F)F)c3)CC2)cc1 | nan | ||
146014480 | 173712 | 16 | None | -4 | 2 | Mouse | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 458 | 7 | 2 | 5 | 4.6 | C/C=C/c1nnn(Cc2ccc(C(F)(F)F)cc2)c1C(=O)N[C@@H](C)c1ccc(C(=O)O)cc1 | 10.1021/acs.jmedchem.9b01269 | ||
CHEMBL4535971 | 173712 | 16 | None | -4 | 2 | Mouse | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 458 | 7 | 2 | 5 | 4.6 | C/C=C/c1nnn(Cc2ccc(C(F)(F)F)cc2)c1C(=O)N[C@@H](C)c1ccc(C(=O)O)cc1 | 10.1021/acs.jmedchem.9b01269 | ||
11577792 | 159316 | 19 | None | 309 | 2 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 414 | 6 | 2 | 4 | 4.9 | C[C@H](NC(=O)c1cc(Cl)cnc1Oc1cccc(F)c1)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2017.01.067 | ||
CHEMBL4099851 | 159316 | 19 | None | 309 | 2 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 414 | 6 | 2 | 4 | 4.9 | C[C@H](NC(=O)c1cc(Cl)cnc1Oc1cccc(F)c1)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2017.01.067 | ||
86707347 | 139440 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 397 | 5 | 3 | 5 | 3.2 | Cc1ccc(N2CCCC(CO)C2)nc1C(=O)Nc1c(C)cc(C(=O)O)cc1C | 10.1016/j.bmcl.2016.03.041 | ||
CHEMBL3793956 | 139440 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 397 | 5 | 3 | 5 | 3.2 | Cc1ccc(N2CCCC(CO)C2)nc1C(=O)Nc1c(C)cc(C(=O)O)cc1C | 10.1016/j.bmcl.2016.03.041 | ||
141730908 | 174111 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 500 | 7 | 2 | 5 | 5.6 | C[C@H](NC(=O)c1c(C2CCCCC2)nnn1Cc1ccc(C(F)(F)F)cc1)c1ccc(C(=O)O)cc1 | 10.1021/acs.jmedchem.9b01269 | ||
CHEMBL4545487 | 174111 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 500 | 7 | 2 | 5 | 5.6 | C[C@H](NC(=O)c1c(C2CCCCC2)nnn1Cc1ccc(C(F)(F)F)cc1)c1ccc(C(=O)O)cc1 | 10.1021/acs.jmedchem.9b01269 | ||
25019185 | 57696 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 643 | 11 | 2 | 7 | 5.9 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)NS(=O)(=O)c4ccccc4OC)CC3)cc1C)C2 | 10.1016/j.bmcl.2010.12.014 | ||
CHEMBL1669009 | 57696 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 643 | 11 | 2 | 7 | 5.9 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)NS(=O)(=O)c4ccccc4OC)CC3)cc1C)C2 | 10.1016/j.bmcl.2010.12.014 | ||
76283951 | 173058 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 369 | 3 | 1 | 4 | 5.1 | CCn1c2ccccc2c2cc(-c3nc4cc(C(=O)O)ccc4n3C)ccc21 | 10.1021/acs.jmedchem.8b01862 | ||
CHEMBL4519444 | 173058 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 369 | 3 | 1 | 4 | 5.1 | CCn1c2ccccc2c2cc(-c3nc4cc(C(=O)O)ccc4n3C)ccc21 | 10.1021/acs.jmedchem.8b01862 | ||
155546443 | 173546 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 495 | 6 | 1 | 5 | 6.5 | CCn1c2ccc(-c3nc4c(C)c(C(=O)O)ccc4n3CCOC)cc2c2cc(C(F)(F)F)ccc21 | 10.1021/acs.jmedchem.8b01862 | ||
CHEMBL4531968 | 173546 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 495 | 6 | 1 | 5 | 6.5 | CCn1c2ccc(-c3nc4c(C)c(C(=O)O)ccc4n3CCOC)cc2c2cc(C(F)(F)F)ccc21 | 10.1021/acs.jmedchem.8b01862 | ||
137641524 | 158088 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 415 | 6 | 2 | 5 | 4.3 | C[C@H](NC(=O)c1cc(Cl)cnc1Oc1cncc(F)c1)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2017.01.067 | ||
CHEMBL4086496 | 158088 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 415 | 6 | 2 | 5 | 4.3 | C[C@H](NC(=O)c1cc(Cl)cnc1Oc1cncc(F)c1)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2017.01.067 | ||
137633712 | 156266 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 480 | 7 | 2 | 5 | 5.6 | C[C@H](NC(=O)c1cc(Cl)cnc1Oc1cccc(OC(F)(F)F)c1)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2017.01.067 | ||
CHEMBL4065050 | 156266 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 480 | 7 | 2 | 5 | 5.6 | C[C@H](NC(=O)c1cc(Cl)cnc1Oc1cccc(OC(F)(F)F)c1)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2017.01.067 | ||
76281455 | 174198 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 439 | 7 | 1 | 5 | 5.6 | COCCn1c2ccccc2c2cc(-c3nc4cc(C(=O)O)ccc4n3CC3CC3)ccc21 | 10.1021/acs.jmedchem.8b01862 | ||
CHEMBL4548032 | 174198 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 439 | 7 | 1 | 5 | 5.6 | COCCn1c2ccccc2c2cc(-c3nc4cc(C(=O)O)ccc4n3CC3CC3)ccc21 | 10.1021/acs.jmedchem.8b01862 | ||
89914844 | 122594 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 382 | 8 | 2 | 4 | 2.9 | O=C(O)c1ccc(CNC(=O)[C@H]2CCCCN2CCOc2ccccc2)cc1 | 10.1016/j.bmcl.2015.05.091 | ||
CHEMBL3600786 | 122594 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 382 | 8 | 2 | 4 | 2.9 | O=C(O)c1ccc(CNC(=O)[C@H]2CCCCN2CCOc2ccccc2)cc1 | 10.1016/j.bmcl.2015.05.091 | ||
CHEMBL3601983 | 122594 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 382 | 8 | 2 | 4 | 2.9 | O=C(O)c1ccc(CNC(=O)[C@H]2CCCCN2CCOc2ccccc2)cc1 | 10.1016/j.bmcl.2015.05.091 | ||
56944705 | 129211 | 41 | None | 11 | 2 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 483 | 7 | 2 | 5 | 5.4 | C[C@H](NC(=O)c1c(C(F)F)nn(C)c1Oc1cccc(C(F)(F)F)c1)c1ccc(C(=O)O)cc1 | 10.1021/acs.jmedchem.2c00448 | ||
CHEMBL3670685 | 129211 | 41 | None | 11 | 2 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 483 | 7 | 2 | 5 | 5.4 | C[C@H](NC(=O)c1c(C(F)F)nn(C)c1Oc1cccc(C(F)(F)F)c1)c1ccc(C(=O)O)cc1 | 10.1021/acs.jmedchem.2c00448 | ||
146014480 | 173712 | 16 | None | 4 | 2 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 458 | 7 | 2 | 5 | 4.6 | C/C=C/c1nnn(Cc2ccc(C(F)(F)F)cc2)c1C(=O)N[C@@H](C)c1ccc(C(=O)O)cc1 | 10.1021/acs.jmedchem.9b01269 | ||
CHEMBL4535971 | 173712 | 16 | None | 4 | 2 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 458 | 7 | 2 | 5 | 4.6 | C/C=C/c1nnn(Cc2ccc(C(F)(F)F)cc2)c1C(=O)N[C@@H](C)c1ccc(C(=O)O)cc1 | 10.1021/acs.jmedchem.9b01269 | ||
56944705 | 129211 | 41 | None | -11 | 2 | Mouse | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 483 | 7 | 2 | 5 | 5.4 | C[C@H](NC(=O)c1c(C(F)F)nn(C)c1Oc1cccc(C(F)(F)F)c1)c1ccc(C(=O)O)cc1 | 10.1021/acs.jmedchem.9b01269 | ||
CHEMBL3670685 | 129211 | 41 | None | -11 | 2 | Mouse | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 483 | 7 | 2 | 5 | 5.4 | C[C@H](NC(=O)c1c(C(F)F)nn(C)c1Oc1cccc(C(F)(F)F)c1)c1ccc(C(=O)O)cc1 | 10.1021/acs.jmedchem.9b01269 | ||
155563161 | 175318 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 498 | 7 | 2 | 5 | 5.5 | C[C@H](NC(=O)c1c(C2=CCCCC2)nnn1Cc1ccc(C(F)(F)F)cc1)c1ccc(C(=O)O)cc1 | 10.1021/acs.jmedchem.9b01269 | ||
CHEMBL4573602 | 175318 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 498 | 7 | 2 | 5 | 5.5 | C[C@H](NC(=O)c1c(C2=CCCCC2)nnn1Cc1ccc(C(F)(F)F)cc1)c1ccc(C(=O)O)cc1 | 10.1021/acs.jmedchem.9b01269 | ||
156073546 | 192229 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 482 | 7 | 1 | 5 | 4.7 | CON(C)C(=O)c1ccc([C@H](C)NC(=O)c2c(Cc3ccc(F)cc3)sc3c2CCOC3)cc1 | 10.1021/acs.jmedchem.2c00448 | ||
CHEMBL5205100 | 192229 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 482 | 7 | 1 | 5 | 4.7 | CON(C)C(=O)c1ccc([C@H](C)NC(=O)c2c(Cc3ccc(F)cc3)sc3c2CCOC3)cc1 | 10.1021/acs.jmedchem.2c00448 | ||
138672156 | 191574 | 0 | None | 2 | 2 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 453 | 7 | 2 | 4 | 4.9 | C[C@H](NC(=O)c1c(CCc2ccc(F)cc2)sc2c1CCOC2)c1ccc(C(=O)O)cc1 | 10.1021/acs.jmedchem.2c00448 | ||
CHEMBL5195058 | 191574 | 0 | None | 2 | 2 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 453 | 7 | 2 | 4 | 4.9 | C[C@H](NC(=O)c1c(CCc2ccc(F)cc2)sc2c1CCOC2)c1ccc(C(=O)O)cc1 | 10.1021/acs.jmedchem.2c00448 | ||
86707344 | 139327 | 3 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 383 | 4 | 3 | 5 | 2.9 | Cc1ccc(N2CCC(O)CC2)nc1C(=O)Nc1c(C)ccc(C(=O)O)c1C | 10.1016/j.bmcl.2016.03.041 | ||
CHEMBL3792709 | 139327 | 3 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 383 | 4 | 3 | 5 | 2.9 | Cc1ccc(N2CCC(O)CC2)nc1C(=O)Nc1c(C)ccc(C(=O)O)c1C | 10.1016/j.bmcl.2016.03.041 | ||
138670958 | 190669 | 0 | None | -1 | 2 | Mouse | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 437 | 7 | 2 | 3 | 5.4 | C[C@H](NC(=O)c1c(CCc2ccc(F)cc2)sc2c1CCC2)c1ccc(C(=O)O)cc1 | 10.1021/acs.jmedchem.2c00448 | ||
CHEMBL5181722 | 190669 | 0 | None | -1 | 2 | Mouse | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 437 | 7 | 2 | 3 | 5.4 | C[C@H](NC(=O)c1c(CCc2ccc(F)cc2)sc2c1CCC2)c1ccc(C(=O)O)cc1 | 10.1021/acs.jmedchem.2c00448 | ||
155521594 | 170718 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 486 | 6 | 2 | 5 | 4.6 | C[C@H](NC(=O)c1c(C(F)(F)F)nnn1Cc1cccc(C(F)(F)F)c1)c1ccc(C(=O)O)cc1 | 10.1021/acs.jmedchem.9b01269 | ||
CHEMBL4452087 | 170718 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 486 | 6 | 2 | 5 | 4.6 | C[C@H](NC(=O)c1c(C(F)(F)F)nnn1Cc1cccc(C(F)(F)F)c1)c1ccc(C(=O)O)cc1 | 10.1021/acs.jmedchem.9b01269 | ||
138671692 | 192251 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 451 | 7 | 2 | 5 | 4.6 | COc1ccc(Cc2sc3c(c2C(=O)N[C@@H](C)c2ccc(C(=O)O)cc2)CCOC3)cc1 | 10.1021/acs.jmedchem.2c00448 | ||
CHEMBL5205440 | 192251 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 451 | 7 | 2 | 5 | 4.6 | COc1ccc(Cc2sc3c(c2C(=O)N[C@@H](C)c2ccc(C(=O)O)cc2)CCOC3)cc1 | 10.1021/acs.jmedchem.2c00448 | ||
138670951 | 192426 | 0 | None | 162 | 2 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 489 | 6 | 2 | 4 | 5.6 | C[C@H](NC(=O)c1c(Cc2ccc(C(F)(F)F)cc2)sc2c1CCOC2)c1ccc(C(=O)O)cc1 | 10.1021/acs.jmedchem.2c00448 | ||
CHEMBL5208220 | 192426 | 0 | None | 162 | 2 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 489 | 6 | 2 | 4 | 5.6 | C[C@H](NC(=O)c1c(Cc2ccc(C(F)(F)F)cc2)sc2c1CCOC2)c1ccc(C(=O)O)cc1 | 10.1021/acs.jmedchem.2c00448 | ||
23660841 | 57098 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 468 | 6 | 2 | 3 | 5.5 | C[C@H](NC(=O)c1cccc2c1N(Cc1ccc(C(F)(F)F)cc1)CC2)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2010.10.106 | ||
CHEMBL1645137 | 57098 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 468 | 6 | 2 | 3 | 5.5 | C[C@H](NC(=O)c1cccc2c1N(Cc1ccc(C(F)(F)F)cc1)CC2)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2010.10.106 | ||
53323050 | 57116 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 486 | 6 | 2 | 3 | 5.6 | C[C@H](NC(=O)c1cc(F)cc2c1N(Cc1ccc(C(F)(F)F)cc1)CC2)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2010.10.106 | ||
CHEMBL1645155 | 57116 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 486 | 6 | 2 | 3 | 5.6 | C[C@H](NC(=O)c1cc(F)cc2c1N(Cc1ccc(C(F)(F)F)cc1)CC2)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2010.10.106 | ||
53325182 | 57114 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 502 | 6 | 2 | 3 | 6.1 | C[C@H](NC(=O)c1cc(Cl)cc2c1N(Cc1ccc(C(F)(F)F)cc1)CC2)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2010.10.106 | ||
CHEMBL1645153 | 57114 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 502 | 6 | 2 | 3 | 6.1 | C[C@H](NC(=O)c1cc(Cl)cc2c1N(Cc1ccc(C(F)(F)F)cc1)CC2)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2010.10.106 | ||
24952928 | 200423 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 497 | 6 | 2 | 5 | 5.6 | Cc1sc(C)c(C(=O)NC2(c3ccc(-c4nn[nH]n4)cc3)CC2)c1Cc1ccc(C(F)(F)F)cc1 | 10.1021/jm901771h | ||
CHEMBL598198 | 200423 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 497 | 6 | 2 | 5 | 5.6 | Cc1sc(C)c(C(=O)NC2(c3ccc(-c4nn[nH]n4)cc3)CC2)c1Cc1ccc(C(F)(F)F)cc1 | 10.1021/jm901771h | ||
118190908 | 137400 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 389 | 5 | 3 | 3 | 4.7 | Cc1ccc(-c2cccc(CO)c2)cc1C(=O)Nc1c(C)ccc(C(=O)O)c1C | 10.1016/j.bmcl.2015.12.057 | ||
CHEMBL3753274 | 137400 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 389 | 5 | 3 | 3 | 4.7 | Cc1ccc(-c2cccc(CO)c2)cc1C(=O)Nc1c(C)ccc(C(=O)O)c1C | 10.1016/j.bmcl.2015.12.057 | ||
91810751 | 137503 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 390 | 5 | 3 | 4 | 4.1 | Cc1ccc(-c2cccc(CO)c2)nc1C(=O)Nc1c(C)ccc(C(=O)O)c1C | 10.1016/j.bmcl.2016.03.041 | ||
CHEMBL3754085 | 137503 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 390 | 5 | 3 | 4 | 4.1 | Cc1ccc(-c2cccc(CO)c2)nc1C(=O)Nc1c(C)ccc(C(=O)O)c1C | 10.1016/j.bmcl.2016.03.041 | ||
91810751 | 137503 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 390 | 5 | 3 | 4 | 4.1 | Cc1ccc(-c2cccc(CO)c2)nc1C(=O)Nc1c(C)ccc(C(=O)O)c1C | 10.1016/j.bmcl.2015.12.057 | ||
CHEMBL3754085 | 137503 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 390 | 5 | 3 | 4 | 4.1 | Cc1ccc(-c2cccc(CO)c2)nc1C(=O)Nc1c(C)ccc(C(=O)O)c1C | 10.1016/j.bmcl.2015.12.057 | ||
53316600 | 56885 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 500 | 8 | 1 | 4 | 5.8 | COc1ccccc1CC(=O)NCCc1ccc(-c2c(C(=O)N(C)C)sc3c(C)cc(C)cc23)cc1 | 10.1016/j.bmcl.2010.11.118 | ||
CHEMBL1644016 | 56885 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 500 | 8 | 1 | 4 | 5.8 | COc1ccccc1CC(=O)NCCc1ccc(-c2c(C(=O)N(C)C)sc3c(C)cc(C)cc23)cc1 | 10.1016/j.bmcl.2010.11.118 | ||
118191104 | 136671 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 425 | 5 | 3 | 3 | 5.6 | Cc1ccc(C(=O)O)c(C)c1NC(=O)c1cc(-c2cccc(CO)c2)cc2ccccc12 | 10.1016/j.bmcl.2015.12.057 | ||
CHEMBL3740223 | 136671 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 425 | 5 | 3 | 3 | 5.6 | Cc1ccc(C(=O)O)c(C)c1NC(=O)c1cc(-c2cccc(CO)c2)cc2ccccc12 | 10.1016/j.bmcl.2015.12.057 | ||
118191104 | 136671 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 425 | 5 | 3 | 3 | 5.6 | Cc1ccc(C(=O)O)c(C)c1NC(=O)c1cc(-c2cccc(CO)c2)cc2ccccc12 | 10.1016/j.bmcl.2015.11.023 | ||
CHEMBL3740223 | 136671 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 425 | 5 | 3 | 3 | 5.6 | Cc1ccc(C(=O)O)c(C)c1NC(=O)c1cc(-c2cccc(CO)c2)cc2ccccc12 | 10.1016/j.bmcl.2015.11.023 | ||
24952929 | 2552 | 42 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 473 | 6 | 2 | 3 | 6.1 | OC(=O)c1ccc(cc1)C1(CC1)NC(=O)c1c(C)sc(c1Cc1ccc(cc1)C(F)(F)F)C | 10.1021/jm901771h | ||
4041 | 2552 | 42 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 473 | 6 | 2 | 3 | 6.1 | OC(=O)c1ccc(cc1)C1(CC1)NC(=O)c1c(C)sc(c1Cc1ccc(cc1)C(F)(F)F)C | 10.1021/jm901771h | ||
CHEMBL597997 | 2552 | 42 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 473 | 6 | 2 | 3 | 6.1 | OC(=O)c1ccc(cc1)C1(CC1)NC(=O)c1c(C)sc(c1Cc1ccc(cc1)C(F)(F)F)C | 10.1021/jm901771h | ||
24952929 | 2552 | 42 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 473 | 6 | 2 | 3 | 6.1 | OC(=O)c1ccc(cc1)C1(CC1)NC(=O)c1c(C)sc(c1Cc1ccc(cc1)C(F)(F)F)C | 10.1021/acs.jmedchem.2c00448 | ||
4041 | 2552 | 42 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 473 | 6 | 2 | 3 | 6.1 | OC(=O)c1ccc(cc1)C1(CC1)NC(=O)c1c(C)sc(c1Cc1ccc(cc1)C(F)(F)F)C | 10.1021/acs.jmedchem.2c00448 | ||
CHEMBL597997 | 2552 | 42 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 473 | 6 | 2 | 3 | 6.1 | OC(=O)c1ccc(cc1)C1(CC1)NC(=O)c1c(C)sc(c1Cc1ccc(cc1)C(F)(F)F)C | 10.1021/acs.jmedchem.2c00448 | ||
168286339 | 191683 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 507 | 6 | 2 | 4 | 6.0 | C[C@H](NC(=O)c1c(Cc2cc(F)c(Cl)cc2Cl)sc2c1CCOC2)c1ccc(C(=O)O)cc1 | 10.1021/acs.jmedchem.2c00448 | ||
CHEMBL5196679 | 191683 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 507 | 6 | 2 | 4 | 6.0 | C[C@H](NC(=O)c1c(Cc2cc(F)c(Cl)cc2Cl)sc2c1CCOC2)c1ccc(C(=O)O)cc1 | 10.1021/acs.jmedchem.2c00448 | ||
12017 | 1102 | 0 | None | 5 | 2 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 425 | 6 | 2 | 4 | 4.2 | O=C(NCc1ccc(C(=O)O)cc1)c1c(Cc2ccc(F)cc2)sc2c1CCOC2 | 10.1021/acs.jmedchem.2c00448 | ||
138670561 | 1102 | 0 | None | 5 | 2 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 425 | 6 | 2 | 4 | 4.2 | O=C(NCc1ccc(C(=O)O)cc1)c1c(Cc2ccc(F)cc2)sc2c1CCOC2 | 10.1021/acs.jmedchem.2c00448 | ||
CHEMBL5186525 | 1102 | 0 | None | 5 | 2 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 425 | 6 | 2 | 4 | 4.2 | O=C(NCc1ccc(C(=O)O)cc1)c1c(Cc2ccc(F)cc2)sc2c1CCOC2 | 10.1021/acs.jmedchem.2c00448 | ||
168297548 | 192221 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 463 | 7 | 2 | 4 | 5.7 | CC(C)c1ccc(Cc2sc3c(c2C(=O)N[C@@H](C)c2ccc(C(=O)O)cc2)CCOC3)cc1 | 10.1021/acs.jmedchem.2c00448 | ||
CHEMBL5204873 | 192221 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 463 | 7 | 2 | 4 | 5.7 | CC(C)c1ccc(Cc2sc3c(c2C(=O)N[C@@H](C)c2ccc(C(=O)O)cc2)CCOC3)cc1 | 10.1021/acs.jmedchem.2c00448 | ||
46890659 | 6957 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 466 | 6 | 2 | 3 | 5.9 | C[C@H](NC(=O)c1cccc2ccn(Cc3ccc(C(F)(F)F)cc3)c12)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2010.04.065 | ||
CHEMBL1084553 | 6957 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 466 | 6 | 2 | 3 | 5.9 | C[C@H](NC(=O)c1cccc2ccn(Cc3ccc(C(F)(F)F)cc3)c12)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2010.04.065 | ||
23660504 | 57100 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 484 | 7 | 2 | 4 | 5.3 | C[C@H](NC(=O)c1cccc2c1N(Cc1ccc(OC(F)(F)F)cc1)CC2)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2010.10.106 | ||
CHEMBL1645139 | 57100 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 484 | 7 | 2 | 4 | 5.3 | C[C@H](NC(=O)c1cccc2c1N(Cc1ccc(OC(F)(F)F)cc1)CC2)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2010.10.106 | ||
138671623 | 191216 | 0 | None | -1 | 2 | Mouse | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 489 | 6 | 2 | 4 | 5.6 | C[C@H](NC(=O)c1c(Cc2cccc(C(F)(F)F)c2)sc2c1CCOC2)c1ccc(C(=O)O)cc1 | 10.1021/acs.jmedchem.2c00448 | ||
CHEMBL5189703 | 191216 | 0 | None | -1 | 2 | Mouse | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 489 | 6 | 2 | 4 | 5.6 | C[C@H](NC(=O)c1c(Cc2cccc(C(F)(F)F)c2)sc2c1CCOC2)c1ccc(C(=O)O)cc1 | 10.1021/acs.jmedchem.2c00448 | ||
89914526 | 122596 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 414 | 8 | 2 | 4 | 3.6 | C[C@H](NC(=O)[C@H]1CCCCN1CCOc1ccc(F)cc1)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2015.05.091 | ||
CHEMBL3600884 | 122596 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 414 | 8 | 2 | 4 | 3.6 | C[C@H](NC(=O)[C@H]1CCCCN1CCOc1ccc(F)cc1)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2015.05.091 | ||
CHEMBL3601985 | 122596 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 414 | 8 | 2 | 4 | 3.6 | C[C@H](NC(=O)[C@H]1CCCCN1CCOc1ccc(F)cc1)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2015.05.091 | ||
24952929 | 2552 | 42 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 473 | 6 | 2 | 3 | 6.1 | OC(=O)c1ccc(cc1)C1(CC1)NC(=O)c1c(C)sc(c1Cc1ccc(cc1)C(F)(F)F)C | 10.1021/jm901771h | ||
4041 | 2552 | 42 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 473 | 6 | 2 | 3 | 6.1 | OC(=O)c1ccc(cc1)C1(CC1)NC(=O)c1c(C)sc(c1Cc1ccc(cc1)C(F)(F)F)C | 10.1021/jm901771h | ||
CHEMBL597997 | 2552 | 42 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 473 | 6 | 2 | 3 | 6.1 | OC(=O)c1ccc(cc1)C1(CC1)NC(=O)c1c(C)sc(c1Cc1ccc(cc1)C(F)(F)F)C | 10.1021/jm901771h | ||
57392712 | 67846 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 455 | 4 | 2 | 3 | 5.8 | C[C@H](NC(=O)c1cccc2c1Oc1cc(C(F)(F)F)ccc1CC2)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2011.08.102 | ||
CHEMBL1910022 | 67846 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 455 | 4 | 2 | 3 | 5.8 | C[C@H](NC(=O)c1cccc2c1Oc1cc(C(F)(F)F)ccc1CC2)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2011.08.102 | ||
138670944 | 190628 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 465 | 7 | 2 | 3 | 6.1 | C[C@H](NC(=O)c1c(CCc2ccc(F)cc2)sc2c1CCCCC2)c1ccc(C(=O)O)cc1 | 10.1021/acs.jmedchem.2c00448 | ||
CHEMBL5181142 | 190628 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 465 | 7 | 2 | 3 | 6.1 | C[C@H](NC(=O)c1c(CCc2ccc(F)cc2)sc2c1CCCCC2)c1ccc(C(=O)O)cc1 | 10.1021/acs.jmedchem.2c00448 | ||
71186498 | 160199 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 444 | 6 | 2 | 3 | 4.2 | O=C(O)c1ccc(C2(NC(=O)[C@H]3C[C@H]4C[C@H]4N3Cc3ccc(C(F)(F)F)cc3)CC2)cc1 | nan | ||
CHEMBL4109532 | 160199 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 444 | 6 | 2 | 3 | 4.2 | O=C(O)c1ccc(C2(NC(=O)[C@H]3C[C@H]4C[C@H]4N3Cc3ccc(C(F)(F)F)cc3)CC2)cc1 | nan | ||
11502889 | 156058 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 430 | 6 | 2 | 4 | 5.4 | C[C@H](NC(=O)c1cc(Cl)cnc1Oc1cccc(Cl)c1)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2017.01.067 | ||
CHEMBL4062620 | 156058 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 430 | 6 | 2 | 4 | 5.4 | C[C@H](NC(=O)c1cc(Cl)cnc1Oc1cccc(Cl)c1)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2017.01.067 | ||
23660505 | 57112 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 425 | 6 | 2 | 4 | 4.3 | C[C@H](NC(=O)c1cccc2c1N(Cc1cccc(C#N)c1)CC2)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2010.10.106 | ||
CHEMBL1645151 | 57112 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 425 | 6 | 2 | 4 | 4.3 | C[C@H](NC(=O)c1cccc2c1N(Cc1cccc(C#N)c1)CC2)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2010.10.106 | ||
155555000 | 174331 | 0 | None | -15 | 2 | Mouse | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 450 | 7 | 2 | 5 | 4.0 | C/C=C/c1nnn(Cc2ccc(C(F)(F)F)cc2)c1C(=O)NCC1CCC(C(=O)O)CC1 | 10.1021/acs.jmedchem.9b01269 | ||
CHEMBL4550862 | 174331 | 0 | None | -15 | 2 | Mouse | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 450 | 7 | 2 | 5 | 4.0 | C/C=C/c1nnn(Cc2ccc(C(F)(F)F)cc2)c1C(=O)NCC1CCC(C(=O)O)CC1 | 10.1021/acs.jmedchem.9b01269 | ||
71186236 | 146312 | 4 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 472 | 6 | 2 | 3 | 5.0 | O=C(O)c1ccc(C2(NC(=O)C3CC4(CCN3Cc3ccc(C(F)(F)F)cc3)CC4)CC2)cc1 | nan | ||
CHEMBL3920982 | 146312 | 4 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 472 | 6 | 2 | 3 | 5.0 | O=C(O)c1ccc(C2(NC(=O)C3CC4(CCN3Cc3ccc(C(F)(F)F)cc3)CC4)CC2)cc1 | nan | ||
nan | 146312 | 4 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 472 | 6 | 2 | 3 | 5.0 | O=C(O)c1ccc(C2(NC(=O)C3CC4(CCN3Cc3ccc(C(F)(F)F)cc3)CC4)CC2)cc1 | nan | ||
90202708 | 174343 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 423 | 6 | 1 | 4 | 6.3 | CCn1c2ccccc2c2cc(-c3nc4cc(C(=O)O)ccc4n3CCC3CC3)ccc21 | 10.1021/acs.jmedchem.8b01862 | ||
CHEMBL4551140 | 174343 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 423 | 6 | 1 | 4 | 6.3 | CCn1c2ccccc2c2cc(-c3nc4cc(C(=O)O)ccc4n3CCC3CC3)ccc21 | 10.1021/acs.jmedchem.8b01862 | ||
155561196 | 175679 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 449 | 6 | 1 | 6 | 4.7 | CCn1c2ccccc2c2cc(-c3nc4cc(S(=O)(=O)O)ccc4n3CCOC)ccc21 | 10.1021/acs.jmedchem.8b01862 | ||
CHEMBL4581855 | 175679 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 449 | 6 | 1 | 6 | 4.7 | CCn1c2ccccc2c2cc(-c3nc4cc(S(=O)(=O)O)ccc4n3CCOC)ccc21 | 10.1021/acs.jmedchem.8b01862 | ||
155521209 | 170571 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 486 | 6 | 2 | 5 | 4.6 | C[C@H](NC(=O)c1c(C(F)(F)F)nnn1Cc1ccc(C(F)(F)F)cc1)c1ccc(C(=O)O)cc1 | 10.1021/acs.jmedchem.9b01269 | ||
CHEMBL4450391 | 170571 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 486 | 6 | 2 | 5 | 4.6 | C[C@H](NC(=O)c1c(C(F)(F)F)nnn1Cc1ccc(C(F)(F)F)cc1)c1ccc(C(=O)O)cc1 | 10.1021/acs.jmedchem.9b01269 | ||
155550848 | 175119 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 494 | 7 | 2 | 5 | 5.2 | C[C@H](NC(=O)c1c(-c2ccccc2)nnn1Cc1cccc(C(F)(F)F)c1)c1ccc(C(=O)O)cc1 | 10.1021/acs.jmedchem.9b01269 | ||
CHEMBL4569593 | 175119 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 494 | 7 | 2 | 5 | 5.2 | C[C@H](NC(=O)c1c(-c2ccccc2)nnn1Cc1cccc(C(F)(F)F)c1)c1ccc(C(=O)O)cc1 | 10.1021/acs.jmedchem.9b01269 | ||
71186604 | 149298 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 482 | 6 | 2 | 3 | 4.8 | O=C(O)c1ccc(C2(NC(=O)C3CC(F)(F)CCN3Cc3cccc(C(F)(F)F)c3)CC2)cc1 | nan | ||
CHEMBL3944767 | 149298 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 482 | 6 | 2 | 3 | 4.8 | O=C(O)c1ccc(C2(NC(=O)C3CC(F)(F)CCN3Cc3cccc(C(F)(F)F)c3)CC2)cc1 | nan | ||
76281721 | 175923 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 490 | 7 | 1 | 7 | 4.2 | CCn1c2ccccc2c2cc(-c3nc4cc(C(=O)NS(C)(=O)=O)ccc4n3CCOC)ccc21 | 10.1021/acs.jmedchem.8b01862 | ||
CHEMBL4587481 | 175923 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 490 | 7 | 1 | 7 | 4.2 | CCn1c2ccccc2c2cc(-c3nc4cc(C(=O)NS(C)(=O)=O)ccc4n3CCOC)ccc21 | 10.1021/acs.jmedchem.8b01862 | ||
155549272 | 173831 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 436 | 6 | 2 | 5 | 3.7 | C[C@H](NC(=O)c1c(C(F)(F)F)nnn1Cc1ccc(F)cc1)c1ccc(C(=O)O)cc1 | 10.1021/acs.jmedchem.9b01269 | ||
CHEMBL4538786 | 173831 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 436 | 6 | 2 | 5 | 3.7 | C[C@H](NC(=O)c1c(C(F)(F)F)nnn1Cc1ccc(F)cc1)c1ccc(C(=O)O)cc1 | 10.1021/acs.jmedchem.9b01269 | ||
12017 | 1102 | 0 | None | -5 | 2 | Mouse | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 425 | 6 | 2 | 4 | 4.2 | O=C(NCc1ccc(C(=O)O)cc1)c1c(Cc2ccc(F)cc2)sc2c1CCOC2 | 10.1021/acs.jmedchem.2c00448 | ||
138670561 | 1102 | 0 | None | -5 | 2 | Mouse | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 425 | 6 | 2 | 4 | 4.2 | O=C(NCc1ccc(C(=O)O)cc1)c1c(Cc2ccc(F)cc2)sc2c1CCOC2 | 10.1021/acs.jmedchem.2c00448 | ||
CHEMBL5186525 | 1102 | 0 | None | -5 | 2 | Mouse | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 425 | 6 | 2 | 4 | 4.2 | O=C(NCc1ccc(C(=O)O)cc1)c1c(Cc2ccc(F)cc2)sc2c1CCOC2 | 10.1021/acs.jmedchem.2c00448 | ||
90202404 | 173978 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 427 | 6 | 1 | 5 | 5.5 | CCn1c2ccccc2c2cc(-c3nc4c(C)c(C(=O)O)ccc4n3CCOC)ccc21 | 10.1021/acs.jmedchem.8b01862 | ||
CHEMBL4541894 | 173978 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 427 | 6 | 1 | 5 | 5.5 | CCn1c2ccccc2c2cc(-c3nc4c(C)c(C(=O)O)ccc4n3CCOC)ccc21 | 10.1021/acs.jmedchem.8b01862 | ||
11683088 | 158976 | 0 | None | 275 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 414 | 6 | 2 | 4 | 4.9 | C[C@H](NC(=O)c1cc(Cl)cnc1Oc1ccc(F)cc1)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2017.01.067 | ||
CHEMBL4096216 | 158976 | 0 | None | 275 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 414 | 6 | 2 | 4 | 4.9 | C[C@H](NC(=O)c1cc(Cl)cnc1Oc1ccc(F)cc1)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2017.01.067 | ||
58905349 | 156276 | 0 | None | 12 | 2 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 400 | 6 | 2 | 4 | 4.3 | O=C(O)c1ccc(CNC(=O)c2cc(Cl)cnc2Oc2ccc(F)cc2)cc1 | 10.1016/j.bmcl.2017.01.067 | ||
CHEMBL4065183 | 156276 | 0 | None | 12 | 2 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 400 | 6 | 2 | 4 | 4.3 | O=C(O)c1ccc(CNC(=O)c2cc(Cl)cnc2Oc2ccc(F)cc2)cc1 | 10.1016/j.bmcl.2017.01.067 | ||
90202707 | 173325 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 449 | 6 | 1 | 4 | 6.7 | O=C(O)c1ccc2c(c1)nc(-c1ccc3c(c1)c1ccccc1n3CC1CCC1)n2CC1CC1 | 10.1021/acs.jmedchem.8b01862 | ||
CHEMBL4526568 | 173325 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 449 | 6 | 1 | 4 | 6.7 | O=C(O)c1ccc2c(c1)nc(-c1ccc3c(c1)c1ccccc1n3CC1CCC1)n2CC1CC1 | 10.1021/acs.jmedchem.8b01862 | ||
53318618 | 57107 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 401 | 6 | 2 | 4 | 3.8 | C[C@H](NC(=O)c1cccc2c1N(Cc1cccnc1)CC2)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2010.10.106 | ||
CHEMBL1645146 | 57107 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 401 | 6 | 2 | 4 | 3.8 | C[C@H](NC(=O)c1cccc2c1N(Cc1cccnc1)CC2)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2010.10.106 | ||
156073539 | 191324 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 511 | 5 | 2 | 5 | 5.6 | COc1ccc2cc(C#Cc3sc4c(c3C(=O)N[C@@H](C)c3ccc(C(=O)O)cc3)CCOC4)ccc2c1 | 10.1021/acs.jmedchem.2c00448 | ||
CHEMBL5191478 | 191324 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 511 | 5 | 2 | 5 | 5.6 | COc1ccc2cc(C#Cc3sc4c(c3C(=O)N[C@@H](C)c3ccc(C(=O)O)cc3)CCOC4)ccc2c1 | 10.1021/acs.jmedchem.2c00448 | ||
141730914 | 174886 | 0 | None | -2 | 2 | Mouse | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 500 | 7 | 2 | 6 | 5.3 | C[C@H](NC(=O)c1c(-c2ccsc2)nnn1Cc1ccc(C(F)(F)F)cc1)c1ccc(C(=O)O)cc1 | 10.1021/acs.jmedchem.9b01269 | ||
CHEMBL4564092 | 174886 | 0 | None | -2 | 2 | Mouse | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 500 | 7 | 2 | 6 | 5.3 | C[C@H](NC(=O)c1c(-c2ccsc2)nnn1Cc1ccc(C(F)(F)F)cc1)c1ccc(C(=O)O)cc1 | 10.1021/acs.jmedchem.9b01269 | ||
138671622 | 190483 | 0 | None | 1 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 451 | 7 | 2 | 3 | 5.7 | C[C@H](NC(=O)c1c(CCc2ccc(F)cc2)sc2c1CCCC2)c1ccc(C(=O)O)cc1 | 10.1021/acs.jmedchem.2c00448 | ||
CHEMBL5179032 | 190483 | 0 | None | 1 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 451 | 7 | 2 | 3 | 5.7 | C[C@H](NC(=O)c1c(CCc2ccc(F)cc2)sc2c1CCCC2)c1ccc(C(=O)O)cc1 | 10.1021/acs.jmedchem.2c00448 | ||
155522808 | 170831 | 0 | None | 14 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 484 | 7 | 2 | 5 | 5.1 | C[C@H](NC(=O)c1c(C2=CCCC2)nnn1Cc1ccc(C(F)(F)F)cc1)c1ccc(C(=O)O)cc1 | 10.1021/acs.jmedchem.9b01269 | ||
CHEMBL4453648 | 170831 | 0 | None | 14 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 484 | 7 | 2 | 5 | 5.1 | C[C@H](NC(=O)c1c(C2=CCCC2)nnn1Cc1ccc(C(F)(F)F)cc1)c1ccc(C(=O)O)cc1 | 10.1021/acs.jmedchem.9b01269 | ||
155533165 | 171837 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 466 | 8 | 2 | 6 | 3.7 | C[C@H](NC(=O)c1c(C(F)(F)F)nnn1CCOc1ccc(F)cc1)c1ccc(C(=O)O)cc1 | 10.1021/acs.jmedchem.9b01269 | ||
CHEMBL4468734 | 171837 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 466 | 8 | 2 | 6 | 3.7 | C[C@H](NC(=O)c1c(C(F)(F)F)nnn1CCOc1ccc(F)cc1)c1ccc(C(=O)O)cc1 | 10.1021/acs.jmedchem.9b01269 | ||
71186336 | 160188 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 482 | 6 | 2 | 3 | 4.8 | O=C(O)c1ccc(C2(NC(=O)[C@H]3CC(F)(F)CCN3Cc3ccc(C(F)(F)F)cc3)CC2)cc1 | nan | ||
CHEMBL4109410 | 160188 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 482 | 6 | 2 | 3 | 4.8 | O=C(O)c1ccc(C2(NC(=O)[C@H]3CC(F)(F)CCN3Cc3ccc(C(F)(F)F)cc3)CC2)cc1 | nan | ||
76281993 | 176174 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 422 | 5 | 1 | 4 | 5.6 | CCn1c2ccccc2c2cc(-c3nc4cc(C(=O)NC)ccc4n3CC3CC3)ccc21 | 10.1021/acs.jmedchem.8b01862 | ||
CHEMBL4593176 | 176174 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 422 | 5 | 1 | 4 | 5.6 | CCn1c2ccccc2c2cc(-c3nc4cc(C(=O)NC)ccc4n3CC3CC3)ccc21 | 10.1021/acs.jmedchem.8b01862 | ||
138671622 | 190483 | 0 | None | -1 | 2 | Mouse | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 451 | 7 | 2 | 3 | 5.7 | C[C@H](NC(=O)c1c(CCc2ccc(F)cc2)sc2c1CCCC2)c1ccc(C(=O)O)cc1 | 10.1021/acs.jmedchem.2c00448 | ||
CHEMBL5179032 | 190483 | 0 | None | -1 | 2 | Mouse | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 451 | 7 | 2 | 3 | 5.7 | C[C@H](NC(=O)c1c(CCc2ccc(F)cc2)sc2c1CCCC2)c1ccc(C(=O)O)cc1 | 10.1021/acs.jmedchem.2c00448 | ||
71186475 | 151662 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 460 | 6 | 2 | 3 | 5.0 | C[C@H](NC(=O)C1CC2(CCN1Cc1ccc(C(F)(F)F)cc1)CC2)c1ccc(C(=O)O)cc1 | nan | ||
CHEMBL3963981 | 151662 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 460 | 6 | 2 | 3 | 5.0 | C[C@H](NC(=O)C1CC2(CCN1Cc1ccc(C(F)(F)F)cc1)CC2)c1ccc(C(=O)O)cc1 | nan | ||
155515639 | 169987 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 474 | 8 | 2 | 6 | 4.3 | COc1ccc(Cn2nnc(-c3ccccc3)c2C(=O)N[C@@H](C)c2ccc(C(=O)O)cc2)cc1F | 10.1021/acs.jmedchem.9b01269 | ||
CHEMBL4442135 | 169987 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 474 | 8 | 2 | 6 | 4.3 | COc1ccc(Cn2nnc(-c3ccccc3)c2C(=O)N[C@@H](C)c2ccc(C(=O)O)cc2)cc1F | 10.1021/acs.jmedchem.9b01269 | ||
137643633 | 158174 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 380 | 6 | 2 | 4 | 4.0 | Cc1cnc(Oc2ccc(F)cc2)c(C(=O)NCc2ccc(C(=O)O)cc2)c1 | 10.1016/j.bmcl.2017.01.067 | ||
CHEMBL4087592 | 158174 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 380 | 6 | 2 | 4 | 4.0 | Cc1cnc(Oc2ccc(F)cc2)c(C(=O)NCc2ccc(C(=O)O)cc2)c1 | 10.1016/j.bmcl.2017.01.067 | ||
25018911 | 57695 | 6 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 681 | 10 | 2 | 6 | 7.2 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)NS(=O)(=O)c4c(Cl)cccc4Cl)CC3)cc1C)C2 | 10.1016/j.bmcl.2015.12.057 | ||
CHEMBL1669008 | 57695 | 6 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 681 | 10 | 2 | 6 | 7.2 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)NS(=O)(=O)c4c(Cl)cccc4Cl)CC3)cc1C)C2 | 10.1016/j.bmcl.2015.12.057 | ||
53326475 | 57115 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 536 | 6 | 2 | 3 | 6.5 | C[C@H](NC(=O)c1cc(C(F)(F)F)cc2c1N(Cc1ccc(C(F)(F)F)cc1)CC2)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2010.10.106 | ||
CHEMBL1645154 | 57115 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 536 | 6 | 2 | 3 | 6.5 | C[C@H](NC(=O)c1cc(C(F)(F)F)cc2c1N(Cc1ccc(C(F)(F)F)cc1)CC2)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2010.10.106 | ||
118174968 | 136616 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 426 | 5 | 3 | 4 | 5.0 | Cc1cc(C(=O)O)cc(C)c1NC(=O)c1cc(-c2cccc(CO)c2)nc2ccccc12 | 10.1016/j.bmcl.2015.11.023 | ||
CHEMBL3739779 | 136616 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 426 | 5 | 3 | 4 | 5.0 | Cc1cc(C(=O)O)cc(C)c1NC(=O)c1cc(-c2cccc(CO)c2)nc2ccccc12 | 10.1016/j.bmcl.2015.11.023 | ||
141730916 | 169789 | 0 | None | 42 | 2 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 474 | 9 | 2 | 6 | 4.4 | C[C@H](NC(=O)c1c(-c2ccccc2)nnn1CCOc1ccc(F)cc1)c1ccc(C(=O)O)cc1 | 10.1021/acs.jmedchem.9b01269 | ||
CHEMBL4439228 | 169789 | 0 | None | 42 | 2 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 474 | 9 | 2 | 6 | 4.4 | C[C@H](NC(=O)c1c(-c2ccccc2)nnn1CCOc1ccc(F)cc1)c1ccc(C(=O)O)cc1 | 10.1021/acs.jmedchem.9b01269 | ||
138670968 | 191632 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 455 | 6 | 2 | 4 | 5.3 | C[C@H](NC(=O)c1c(Cc2cccc(Cl)c2)sc2c1CCOC2)c1ccc(C(=O)O)cc1 | 10.1021/acs.jmedchem.2c00448 | ||
CHEMBL5195791 | 191632 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 455 | 6 | 2 | 4 | 5.3 | C[C@H](NC(=O)c1c(Cc2cccc(Cl)c2)sc2c1CCOC2)c1ccc(C(=O)O)cc1 | 10.1021/acs.jmedchem.2c00448 | ||
46890616 | 7084 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 450 | 6 | 2 | 3 | 5.7 | C[C@H](NC(=O)c1cc(F)cc2ccn(Cc3cccc(Cl)c3)c12)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2010.04.065 | ||
CHEMBL1085041 | 7084 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 450 | 6 | 2 | 3 | 5.7 | C[C@H](NC(=O)c1cc(F)cc2ccn(Cc3cccc(Cl)c3)c12)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2010.04.065 | ||
138671595 | 190401 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 475 | 6 | 2 | 4 | 5.1 | O=C(O)c1ccc(CNC(=O)c2c(Cc3cccc(C(F)(F)F)c3)sc3c2CCOC3)cc1 | 10.1021/acs.jmedchem.2c00448 | ||
CHEMBL5177678 | 190401 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 475 | 6 | 2 | 4 | 5.1 | O=C(O)c1ccc(CNC(=O)c2c(Cc3cccc(C(F)(F)F)c3)sc3c2CCOC3)cc1 | 10.1021/acs.jmedchem.2c00448 | ||
138671612 | 190685 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 451 | 6 | 2 | 4 | 4.7 | O=C(O)c1ccc(C2(NC(=O)c3c(Cc4ccc(F)cc4)sc4c3CCOC4)CC2)cc1 | 10.1021/acs.jmedchem.2c00448 | ||
CHEMBL5181946 | 190685 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 451 | 6 | 2 | 4 | 4.7 | O=C(O)c1ccc(C2(NC(=O)c3c(Cc4ccc(F)cc4)sc4c3CCOC4)CC2)cc1 | 10.1021/acs.jmedchem.2c00448 | ||
118191080 | 136861 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 395 | 4 | 2 | 2 | 6.1 | Cc1cc(C(=O)O)cc(C)c1NC(=O)c1cc(-c2ccccc2)cc2ccccc12 | 10.1016/j.bmcl.2015.11.023 | ||
CHEMBL3742015 | 136861 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 395 | 4 | 2 | 2 | 6.1 | Cc1cc(C(=O)O)cc(C)c1NC(=O)c1cc(-c2ccccc2)cc2ccccc12 | 10.1016/j.bmcl.2015.11.023 | ||
23661015 | 57113 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 492 | 6 | 2 | 5 | 4.9 | C[C@H](NC(=O)c1cccc2c1N(Cc1ccc(C(F)(F)F)cc1)CC2)c1ccc(-c2nn[nH]n2)cc1 | 10.1016/j.bmcl.2010.10.106 | ||
CHEMBL1645152 | 57113 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 492 | 6 | 2 | 5 | 4.9 | C[C@H](NC(=O)c1cccc2c1N(Cc1ccc(C(F)(F)F)cc1)CC2)c1ccc(-c2nn[nH]n2)cc1 | 10.1016/j.bmcl.2010.10.106 | ||
24952580 | 200560 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 467 | 6 | 2 | 3 | 6.5 | C[C@H](NC(=O)c1c(Cl)sc(Cl)c1Cc1cccc(Cl)c1)c1ccc(C(=O)O)cc1 | 10.1021/jm901771h | ||
CHEMBL599052 | 200560 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 467 | 6 | 2 | 3 | 6.5 | C[C@H](NC(=O)c1c(Cl)sc(Cl)c1Cc1cccc(Cl)c1)c1ccc(C(=O)O)cc1 | 10.1021/jm901771h | ||
118175009 | 136683 | 0 | None | 125 | 2 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 429 | 4 | 2 | 2 | 6.7 | Cc1ccc(C(=O)O)c(C)c1NC(=O)c1cc(-c2cccc(Cl)c2)cc2ccccc12 | 10.1016/j.bmcl.2015.12.057 | ||
CHEMBL3740325 | 136683 | 0 | None | 125 | 2 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 429 | 4 | 2 | 2 | 6.7 | Cc1ccc(C(=O)O)c(C)c1NC(=O)c1cc(-c2cccc(Cl)c2)cc2ccccc12 | 10.1016/j.bmcl.2015.12.057 | ||
118175009 | 136683 | 0 | None | 125 | 2 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 429 | 4 | 2 | 2 | 6.7 | Cc1ccc(C(=O)O)c(C)c1NC(=O)c1cc(-c2cccc(Cl)c2)cc2ccccc12 | 10.1016/j.bmcl.2015.11.023 | ||
CHEMBL3740325 | 136683 | 0 | None | 125 | 2 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 429 | 4 | 2 | 2 | 6.7 | Cc1ccc(C(=O)O)c(C)c1NC(=O)c1cc(-c2cccc(Cl)c2)cc2ccccc12 | 10.1016/j.bmcl.2015.11.023 | ||
138671633 | 191499 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 431 | 6 | 2 | 4 | 4.2 | O=C(NCC1CCC(C(=O)O)CC1)c1c(Cc2ccc(F)cc2)sc2c1CCOC2 | 10.1021/acs.jmedchem.2c00448 | ||
CHEMBL5193793 | 191499 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 431 | 6 | 2 | 4 | 4.2 | O=C(NCC1CCC(C(=O)O)CC1)c1c(Cc2ccc(F)cc2)sc2c1CCOC2 | 10.1021/acs.jmedchem.2c00448 | ||
11575201 | 157420 | 0 | None | 100 | 2 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 413 | 6 | 2 | 3 | 5.5 | C[C@H](NC(=O)c1cc(Cl)ccc1Oc1cccc(F)c1)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2017.01.067 | ||
CHEMBL4078648 | 157420 | 0 | None | 100 | 2 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 413 | 6 | 2 | 3 | 5.5 | C[C@H](NC(=O)c1cc(Cl)ccc1Oc1cccc(F)c1)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2017.01.067 | ||
137633794 | 156453 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 609 | 9 | 2 | 7 | 5.7 | O=C(NCc1ccc(C(=O)NS(=O)(=O)c2cccc(Cl)c2)cc1)c1cccc(OCc2nc3cc(F)ccc3s2)c1 | 10.1016/j.bmcl.2017.01.067 | ||
CHEMBL4067234 | 156453 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 609 | 9 | 2 | 7 | 5.7 | O=C(NCc1ccc(C(=O)NS(=O)(=O)c2cccc(Cl)c2)cc1)c1cccc(OCc2nc3cc(F)ccc3s2)c1 | 10.1016/j.bmcl.2017.01.067 | ||
155568276 | 176099 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 431 | 4 | 1 | 4 | 6.5 | CCn1c2ccccc2c2cc(-c3nc4cc(C(=O)O)ccc4n3-c3ccccc3)ccc21 | 10.1021/acs.jmedchem.8b01862 | ||
CHEMBL4591445 | 176099 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 431 | 4 | 1 | 4 | 6.5 | CCn1c2ccccc2c2cc(-c3nc4cc(C(=O)O)ccc4n3-c3ccccc3)ccc21 | 10.1021/acs.jmedchem.8b01862 | ||
156073545 | 191501 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 552 | 7 | 2 | 5 | 6.2 | C[C@H](NC(=O)c1c(CCc2ccc(F)cc2)sc2c1CCN(C(=O)OC(C)(C)C)C2)c1ccc(C(=O)O)cc1 | 10.1021/acs.jmedchem.2c00448 | ||
CHEMBL5193807 | 191501 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 552 | 7 | 2 | 5 | 6.2 | C[C@H](NC(=O)c1c(CCc2ccc(F)cc2)sc2c1CCN(C(=O)OC(C)(C)C)C2)c1ccc(C(=O)O)cc1 | 10.1021/acs.jmedchem.2c00448 | ||
58905388 | 158664 | 0 | None | 1 | 2 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 383 | 6 | 2 | 3 | 4.4 | O=C(O)c1ccc(CNC(=O)c2cc(F)ccc2Oc2ccc(F)cc2)cc1 | 10.1016/j.bmcl.2017.01.067 | ||
CHEMBL4092846 | 158664 | 0 | None | 1 | 2 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 383 | 6 | 2 | 3 | 4.4 | O=C(O)c1ccc(CNC(=O)c2cc(F)ccc2Oc2ccc(F)cc2)cc1 | 10.1016/j.bmcl.2017.01.067 | ||
141730897 | 176114 | 0 | None | 2 | 3 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 456 | 6 | 2 | 5 | 3.9 | CC#Cc1nnn(Cc2ccc(C(F)(F)F)cc2)c1C(=O)N[C@@H](C)c1ccc(C(=O)O)cc1 | 10.1021/acs.jmedchem.9b01269 | ||
CHEMBL4591792 | 176114 | 0 | None | 2 | 3 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 456 | 6 | 2 | 5 | 3.9 | CC#Cc1nnn(Cc2ccc(C(F)(F)F)cc2)c1C(=O)N[C@@H](C)c1ccc(C(=O)O)cc1 | 10.1021/acs.jmedchem.9b01269 | ||
71186600 | 167620 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 446 | 6 | 2 | 3 | 4.6 | O=C(O)c1ccc(C2(NC(=O)[C@H]3CCCCN3Cc3ccc(C(F)(F)F)cc3)CC2)cc1 | nan | ||
CHEMBL4111996 | 167620 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 446 | 6 | 2 | 3 | 4.6 | O=C(O)c1ccc(C2(NC(=O)[C@H]3CCCCN3Cc3ccc(C(F)(F)F)cc3)CC2)cc1 | nan | ||
CHEMBL4301416 | 167620 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 446 | 6 | 2 | 3 | 4.6 | O=C(O)c1ccc(C2(NC(=O)[C@H]3CCCCN3Cc3ccc(C(F)(F)F)cc3)CC2)cc1 | nan | ||
138671611 | 191140 | 0 | None | 1 | 2 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 504 | 7 | 3 | 5 | 5.6 | C[C@H](NC(=O)c1c(NCc2ccc(C(F)(F)F)cc2)sc2c1CCOC2)c1ccc(C(=O)O)cc1 | 10.1021/acs.jmedchem.2c00448 | ||
CHEMBL5188328 | 191140 | 0 | None | 1 | 2 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 504 | 7 | 3 | 5 | 5.6 | C[C@H](NC(=O)c1c(NCc2ccc(C(F)(F)F)cc2)sc2c1CCOC2)c1ccc(C(=O)O)cc1 | 10.1021/acs.jmedchem.2c00448 | ||
155554096 | 175441 | 0 | None | -2 | 2 | Mouse | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 470 | 7 | 2 | 5 | 4.5 | C/C=C/c1nnn(Cc2ccc(C(F)(F)F)cc2)c1C(=O)NC1(c2ccc(C(=O)O)cc2)CC1 | 10.1021/acs.jmedchem.9b01269 | ||
CHEMBL4576681 | 175441 | 0 | None | -2 | 2 | Mouse | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 470 | 7 | 2 | 5 | 4.5 | C/C=C/c1nnn(Cc2ccc(C(F)(F)F)cc2)c1C(=O)NC1(c2ccc(C(=O)O)cc2)CC1 | 10.1021/acs.jmedchem.9b01269 | ||
76282475 | 175198 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 435 | 6 | 1 | 4 | 6.3 | O=C(O)c1ccc2c(c1)nc(-c1ccc3c(c1)c1ccccc1n3CC1CC1)n2CC1CC1 | 10.1021/acs.jmedchem.8b01862 | ||
CHEMBL4571025 | 175198 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 435 | 6 | 1 | 4 | 6.3 | O=C(O)c1ccc2c(c1)nc(-c1ccc3c(c1)c1ccccc1n3CC1CC1)n2CC1CC1 | 10.1021/acs.jmedchem.8b01862 | ||
155516871 | 170122 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 444 | 7 | 2 | 5 | 4.3 | C[C@H](NC(=O)c1c(-c2ccccc2)nnn1Cc1ccc(F)cc1)c1ccc(C(=O)O)cc1 | 10.1021/acs.jmedchem.9b01269 | ||
CHEMBL4443888 | 170122 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 444 | 7 | 2 | 5 | 4.3 | C[C@H](NC(=O)c1c(-c2ccccc2)nnn1Cc1ccc(F)cc1)c1ccc(C(=O)O)cc1 | 10.1021/acs.jmedchem.9b01269 | ||
138670951 | 192426 | 0 | None | -162 | 2 | Mouse | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 489 | 6 | 2 | 4 | 5.6 | C[C@H](NC(=O)c1c(Cc2ccc(C(F)(F)F)cc2)sc2c1CCOC2)c1ccc(C(=O)O)cc1 | 10.1021/acs.jmedchem.2c00448 | ||
CHEMBL5208220 | 192426 | 0 | None | -162 | 2 | Mouse | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 489 | 6 | 2 | 4 | 5.6 | C[C@H](NC(=O)c1c(Cc2ccc(C(F)(F)F)cc2)sc2c1CCOC2)c1ccc(C(=O)O)cc1 | 10.1021/acs.jmedchem.2c00448 | ||
57399661 | 67849 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 467 | 4 | 2 | 3 | 5.7 | O=C(O)c1ccc(C2(NC(=O)c3cccc4c3Oc3ccc(C(F)(F)F)cc3CC4)CC2)cc1 | 10.1016/j.bmcl.2011.08.102 | ||
CHEMBL1910025 | 67849 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 467 | 4 | 2 | 3 | 5.7 | O=C(O)c1ccc(C2(NC(=O)c3cccc4c3Oc3ccc(C(F)(F)F)cc3CC4)CC2)cc1 | 10.1016/j.bmcl.2011.08.102 | ||
76282476 | 174586 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 395 | 4 | 1 | 4 | 5.5 | Cn1c2ccccc2c2cc(-c3nc4cc(C(=O)O)ccc4n3CC3CC3)ccc21 | 10.1021/acs.jmedchem.8b01862 | ||
CHEMBL4556932 | 174586 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 395 | 4 | 1 | 4 | 5.5 | Cn1c2ccccc2c2cc(-c3nc4cc(C(=O)O)ccc4n3CC3CC3)ccc21 | 10.1021/acs.jmedchem.8b01862 | ||
90202545 | 173518 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 431 | 6 | 1 | 5 | 5.3 | CCn1c2ccccc2c2cc(-c3nc4cc(C(=O)O)c(F)cc4n3CCOC)ccc21 | 10.1021/acs.jmedchem.8b01862 | ||
CHEMBL4530975 | 173518 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 431 | 6 | 1 | 5 | 5.3 | CCn1c2ccccc2c2cc(-c3nc4cc(C(=O)O)c(F)cc4n3CCOC)ccc21 | 10.1021/acs.jmedchem.8b01862 | ||
58905312 | 157034 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 426 | 7 | 2 | 5 | 4.7 | COc1cccc(Oc2ncc(Cl)cc2C(=O)N[C@@H](C)c2ccc(C(=O)O)cc2)c1 | 10.1016/j.bmcl.2017.01.067 | ||
CHEMBL4073631 | 157034 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 426 | 7 | 2 | 5 | 4.7 | COc1cccc(Oc2ncc(Cl)cc2C(=O)N[C@@H](C)c2ccc(C(=O)O)cc2)c1 | 10.1016/j.bmcl.2017.01.067 | ||
89914863 | 122595 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 421 | 8 | 2 | 5 | 3.4 | C[C@H](NC(=O)[C@H]1CCCCN1CCOc1ccc(C#N)cc1)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2015.05.091 | ||
CHEMBL3600883 | 122595 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 421 | 8 | 2 | 5 | 3.4 | C[C@H](NC(=O)[C@H]1CCCCN1CCOc1ccc(C#N)cc1)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2015.05.091 | ||
CHEMBL3601984 | 122595 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 421 | 8 | 2 | 5 | 3.4 | C[C@H](NC(=O)[C@H]1CCCCN1CCOc1ccc(C#N)cc1)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2015.05.091 | ||
11618662 | 158820 | 0 | None | 151 | 2 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 421 | 6 | 2 | 5 | 4.6 | C[C@H](NC(=O)c1cc(Cl)cnc1Oc1cccc(C#N)c1)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2017.01.067 | ||
CHEMBL4094572 | 158820 | 0 | None | 151 | 2 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 421 | 6 | 2 | 5 | 4.6 | C[C@H](NC(=O)c1cc(Cl)cnc1Oc1cccc(C#N)c1)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2017.01.067 | ||
138670964 | 192105 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 481 | 7 | 2 | 4 | 5.7 | C[C@H](NC(=O)c1c(CCc2ccc(F)cc2)sc2c1CC(C)(C)OC2)c1ccc(C(=O)O)cc1 | 10.1021/acs.jmedchem.2c00448 | ||
CHEMBL5203156 | 192105 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 481 | 7 | 2 | 4 | 5.7 | C[C@H](NC(=O)c1c(CCc2ccc(F)cc2)sc2c1CC(C)(C)OC2)c1ccc(C(=O)O)cc1 | 10.1021/acs.jmedchem.2c00448 | ||
156073536 | 191685 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 481 | 6 | 2 | 4 | 5.1 | O=C(NCC1CCC(C(=O)O)CC1)c1c(Cc2cccc(C(F)(F)F)c2)sc2c1CCOC2 | 10.1021/acs.jmedchem.2c00448 | ||
CHEMBL5196717 | 191685 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 481 | 6 | 2 | 4 | 5.1 | O=C(NCC1CCC(C(=O)O)CC1)c1c(Cc2cccc(C(F)(F)F)c2)sc2c1CCOC2 | 10.1021/acs.jmedchem.2c00448 | ||
155520059 | 173239 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 511 | 7 | 1 | 6 | 6.4 | CCn1c2ccc(OC(F)(F)F)cc2c2cc(-c3nc4c(C)c(C(=O)O)ccc4n3CCOC)ccc21 | 10.1021/acs.jmedchem.8b01862 | ||
CHEMBL4524507 | 173239 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 511 | 7 | 1 | 6 | 6.4 | CCn1c2ccc(OC(F)(F)F)cc2c2cc(-c3nc4c(C)c(C(=O)O)ccc4n3CCOC)ccc21 | 10.1021/acs.jmedchem.8b01862 | ||
137648241 | 157982 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 436 | 7 | 2 | 5 | 4.6 | O=C(O)c1ccc(CNC(=O)c2cccc(OCc3nc4cc(F)ccc4s3)c2)cc1 | 10.1016/j.bmcl.2017.01.067 | ||
CHEMBL4085097 | 157982 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 436 | 7 | 2 | 5 | 4.6 | O=C(O)c1ccc(CNC(=O)c2cccc(OCc3nc4cc(F)ccc4s3)c2)cc1 | 10.1016/j.bmcl.2017.01.067 | ||
11524454 | 945 | 55 | None | 52 | 2 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 413 | 6 | 2 | 3 | 5.5 | Clc1ccc(c(c1)C(=O)N[C@H](c1ccc(cc1)C(=O)O)C)Oc1ccc(cc1)F | 10.1016/j.bmcl.2017.01.067 | ||
5857 | 945 | 55 | None | 52 | 2 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 413 | 6 | 2 | 3 | 5.5 | Clc1ccc(c(c1)C(=O)N[C@H](c1ccc(cc1)C(=O)O)C)Oc1ccc(cc1)F | 10.1016/j.bmcl.2017.01.067 | ||
CHEMBL591666 | 945 | 55 | None | 52 | 2 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 413 | 6 | 2 | 3 | 5.5 | Clc1ccc(c(c1)C(=O)N[C@H](c1ccc(cc1)C(=O)O)C)Oc1ccc(cc1)F | 10.1016/j.bmcl.2017.01.067 | ||
86707352 | 139435 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 397 | 4 | 3 | 5 | 3.3 | Cc1ccc(N2CCC(C)(O)CC2)nc1C(=O)Nc1c(C)cc(C(=O)O)cc1C | 10.1016/j.bmcl.2016.03.041 | ||
CHEMBL3793924 | 139435 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 397 | 4 | 3 | 5 | 3.3 | Cc1ccc(N2CCC(C)(O)CC2)nc1C(=O)Nc1c(C)cc(C(=O)O)cc1C | 10.1016/j.bmcl.2016.03.041 | ||
71186491 | 143224 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 472 | 6 | 2 | 3 | 5.0 | O=C(O)c1ccc(C2(NC(=O)C3CC4(CCN3Cc3cccc(C(F)(F)F)c3)CC4)CC2)cc1 | nan | ||
CHEMBL3896466 | 143224 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 472 | 6 | 2 | 3 | 5.0 | O=C(O)c1ccc(C2(NC(=O)C3CC4(CCN3Cc3cccc(C(F)(F)F)c3)CC4)CC2)cc1 | nan | ||
129161002 | 173131 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 441 | 6 | 1 | 5 | 5.8 | CCn1c2ccc(-c3nc4c(C)c(C(=O)O)ccc4n3CCOC)cc2c2cccc(C)c21 | 10.1021/acs.jmedchem.8b01862 | ||
CHEMBL4520937 | 173131 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 441 | 6 | 1 | 5 | 5.8 | CCn1c2ccc(-c3nc4c(C)c(C(=O)O)ccc4n3CCOC)cc2c2cccc(C)c21 | 10.1021/acs.jmedchem.8b01862 | ||
12017 | 1102 | 0 | None | 5 | 2 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 425 | 6 | 2 | 4 | 4.2 | O=C(NCc1ccc(C(=O)O)cc1)c1c(Cc2ccc(F)cc2)sc2c1CCOC2 | 10.1021/acs.jmedchem.2c00448 | ||
138670561 | 1102 | 0 | None | 5 | 2 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 425 | 6 | 2 | 4 | 4.2 | O=C(NCc1ccc(C(=O)O)cc1)c1c(Cc2ccc(F)cc2)sc2c1CCOC2 | 10.1021/acs.jmedchem.2c00448 | ||
CHEMBL5186525 | 1102 | 0 | None | 5 | 2 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 425 | 6 | 2 | 4 | 4.2 | O=C(NCc1ccc(C(=O)O)cc1)c1c(Cc2ccc(F)cc2)sc2c1CCOC2 | 10.1021/acs.jmedchem.2c00448 | ||
90202587 | 174225 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 431 | 6 | 1 | 5 | 5.3 | CCn1c2ccccc2c2cc(-c3nc4c(F)c(C(=O)O)ccc4n3CCOC)ccc21 | 10.1021/acs.jmedchem.8b01862 | ||
CHEMBL4548693 | 174225 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 431 | 6 | 1 | 5 | 5.3 | CCn1c2ccccc2c2cc(-c3nc4c(F)c(C(=O)O)ccc4n3CCOC)ccc21 | 10.1021/acs.jmedchem.8b01862 | ||
90202660 | 172909 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 461 | 6 | 1 | 5 | 6.1 | CCn1c2ccc(Cl)cc2c2cc(-c3nc4c(C)c(C(=O)O)ccc4n3CCOC)ccc21 | 10.1021/acs.jmedchem.8b01862 | ||
CHEMBL4516303 | 172909 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 461 | 6 | 1 | 5 | 6.1 | CCn1c2ccc(Cl)cc2c2cc(-c3nc4c(C)c(C(=O)O)ccc4n3CCOC)ccc21 | 10.1021/acs.jmedchem.8b01862 | ||
118175029 | 137379 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 393 | 5 | 3 | 3 | 4.6 | Cc1ccc(C(=O)O)c(C)c1NC(=O)c1cc(-c2cccc(CO)c2)ccc1F | 10.1016/j.bmcl.2015.12.057 | ||
CHEMBL3753133 | 137379 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 393 | 5 | 3 | 3 | 4.6 | Cc1ccc(C(=O)O)c(C)c1NC(=O)c1cc(-c2cccc(CO)c2)ccc1F | 10.1016/j.bmcl.2015.12.057 | ||
24952927 | 201229 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 461 | 6 | 2 | 3 | 6.2 | Cc1sc(C)c(C(=O)N[C@@H](C)c2ccc(C(=O)O)cc2)c1Cc1ccc(C(F)(F)F)cc1 | 10.1021/jm901771h | ||
CHEMBL603690 | 201229 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 461 | 6 | 2 | 3 | 6.2 | Cc1sc(C)c(C(=O)N[C@@H](C)c2ccc(C(=O)O)cc2)c1Cc1ccc(C(F)(F)F)cc1 | 10.1021/jm901771h | ||
138670563 | 190339 | 5 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 439 | 6 | 2 | 4 | 4.7 | C[C@H](NC(=O)c1c(Cc2ccc(F)cc2)sc2c1CCOC2)c1ccc(C(=O)O)cc1 | 10.1021/acs.jmedchem.2c00448 | ||
CHEMBL5176688 | 190339 | 5 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 439 | 6 | 2 | 4 | 4.7 | C[C@H](NC(=O)c1c(Cc2ccc(F)cc2)sc2c1CCOC2)c1ccc(C(=O)O)cc1 | 10.1021/acs.jmedchem.2c00448 | ||
155554217 | 174205 | 0 | None | 9 | 2 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 514 | 7 | 2 | 6 | 5.6 | Cc1ccc(-c2nnn(Cc3ccc(C(F)(F)F)cc3)c2C(=O)N[C@@H](C)c2ccc(C(=O)O)cc2)s1 | 10.1021/acs.jmedchem.9b01269 | ||
CHEMBL4548291 | 174205 | 0 | None | 9 | 2 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 514 | 7 | 2 | 6 | 5.6 | Cc1ccc(-c2nnn(Cc3ccc(C(F)(F)F)cc3)c2C(=O)N[C@@H](C)c2ccc(C(=O)O)cc2)s1 | 10.1021/acs.jmedchem.9b01269 | ||
24953625 | 201530 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 461 | 6 | 2 | 3 | 6.2 | Cc1sc(C)c(C(=O)N[C@@H](C)c2ccc(C(=O)O)cc2)c1Cc1cccc(C(F)(F)F)c1 | 10.1021/jm901771h | ||
CHEMBL605330 | 201530 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 461 | 6 | 2 | 3 | 6.2 | Cc1sc(C)c(C(=O)N[C@@H](C)c2ccc(C(=O)O)cc2)c1Cc1cccc(C(F)(F)F)c1 | 10.1021/jm901771h | ||
74762651 | 172483 | 0 | None | 17 | 2 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 413 | 6 | 1 | 5 | 5.2 | CCn1c2ccccc2c2cc(-c3nc4cc(C(=O)O)ccc4n3CCOC)ccc21 | 10.1021/acs.jmedchem.8b01862 | ||
CHEMBL4483026 | 172483 | 0 | None | 17 | 2 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 413 | 6 | 1 | 5 | 5.2 | CCn1c2ccccc2c2cc(-c3nc4cc(C(=O)O)ccc4n3CCOC)ccc21 | 10.1021/acs.jmedchem.8b01862 | ||
23660845 | 57110 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 546 | 6 | 2 | 3 | 6.2 | C[C@H](NC(=O)c1cccc2c1N(Cc1ccc(C(F)(F)F)cc1Br)CC2)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2010.10.106 | ||
CHEMBL1645149 | 57110 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 546 | 6 | 2 | 3 | 6.2 | C[C@H](NC(=O)c1cccc2c1N(Cc1ccc(C(F)(F)F)cc1Br)CC2)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2010.10.106 | ||
58905340 | 158794 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 442 | 7 | 2 | 5 | 5.4 | CSc1cccc(Oc2ncc(Cl)cc2C(=O)N[C@@H](C)c2ccc(C(=O)O)cc2)c1 | 10.1016/j.bmcl.2017.01.067 | ||
CHEMBL4094257 | 158794 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 442 | 7 | 2 | 5 | 5.4 | CSc1cccc(Oc2ncc(Cl)cc2C(=O)N[C@@H](C)c2ccc(C(=O)O)cc2)c1 | 10.1016/j.bmcl.2017.01.067 | ||
155522808 | 170831 | 0 | None | -14 | 2 | Mouse | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 484 | 7 | 2 | 5 | 5.1 | C[C@H](NC(=O)c1c(C2=CCCC2)nnn1Cc1ccc(C(F)(F)F)cc1)c1ccc(C(=O)O)cc1 | 10.1021/acs.jmedchem.9b01269 | ||
CHEMBL4453648 | 170831 | 0 | None | -14 | 2 | Mouse | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 484 | 7 | 2 | 5 | 5.1 | C[C@H](NC(=O)c1c(C2=CCCC2)nnn1Cc1ccc(C(F)(F)F)cc1)c1ccc(C(=O)O)cc1 | 10.1021/acs.jmedchem.9b01269 | ||
11718930 | 158880 | 1 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 429 | 6 | 2 | 3 | 6.0 | C[C@H](NC(=O)c1cc(Cl)ccc1Oc1cccc(Cl)c1)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2017.01.067 | ||
CHEMBL4095176 | 158880 | 1 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 429 | 6 | 2 | 3 | 6.0 | C[C@H](NC(=O)c1cc(Cl)ccc1Oc1cccc(Cl)c1)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2017.01.067 | ||
57401413 | 67848 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 455 | 4 | 2 | 3 | 5.8 | C[C@H](NC(=O)c1cccc2c1Oc1ccc(C(F)(F)F)cc1CC2)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2011.08.102 | ||
CHEMBL1910024 | 67848 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 455 | 4 | 2 | 3 | 5.8 | C[C@H](NC(=O)c1cccc2c1Oc1ccc(C(F)(F)F)cc1CC2)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2011.08.102 | ||
71204738 | 152122 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 446 | 6 | 2 | 3 | 4.6 | C[C@H](NC(=O)[C@H]1CCC2CC2N1Cc1ccc(C(F)(F)F)cc1)c1ccc(C(=O)O)cc1 | nan | ||
CHEMBL3967868 | 152122 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 446 | 6 | 2 | 3 | 4.6 | C[C@H](NC(=O)[C@H]1CCC2CC2N1Cc1ccc(C(F)(F)F)cc1)c1ccc(C(=O)O)cc1 | nan | ||
155554217 | 174205 | 0 | None | -9 | 2 | Mouse | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 514 | 7 | 2 | 6 | 5.6 | Cc1ccc(-c2nnn(Cc3ccc(C(F)(F)F)cc3)c2C(=O)N[C@@H](C)c2ccc(C(=O)O)cc2)s1 | 10.1021/acs.jmedchem.9b01269 | ||
CHEMBL4548291 | 174205 | 0 | None | -9 | 2 | Mouse | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 514 | 7 | 2 | 6 | 5.6 | Cc1ccc(-c2nnn(Cc3ccc(C(F)(F)F)cc3)c2C(=O)N[C@@H](C)c2ccc(C(=O)O)cc2)s1 | 10.1021/acs.jmedchem.9b01269 | ||
25019183 | 57699 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 647 | 10 | 2 | 6 | 6.5 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)NS(=O)(=O)c4ccccc4Cl)CC3)cc1C)C2 | 10.1016/j.bmcl.2010.12.014 | ||
CHEMBL1669012 | 57699 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 647 | 10 | 2 | 6 | 6.5 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)NS(=O)(=O)c4ccccc4Cl)CC3)cc1C)C2 | 10.1016/j.bmcl.2010.12.014 | ||
71502439 | 160073 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 458 | 6 | 2 | 3 | 4.6 | O=C(O)c1ccc(C2(NC(=O)[C@H]3CCC4CC4N3Cc3ccc(C(F)(F)F)cc3)CC2)cc1 | nan | ||
CHEMBL4108479 | 160073 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 458 | 6 | 2 | 3 | 4.6 | O=C(O)c1ccc(C2(NC(=O)[C@H]3CCC4CC4N3Cc3ccc(C(F)(F)F)cc3)CC2)cc1 | nan | ||
90202554 | 175584 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 453 | 6 | 1 | 7 | 4.8 | CCn1c2ccccc2c2cc(-c3nc4cc(-c5n[nH]c(=O)o5)ccc4n3CCOC)ccc21 | 10.1021/acs.jmedchem.8b01862 | ||
CHEMBL4579666 | 175584 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 453 | 6 | 1 | 7 | 4.8 | CCn1c2ccccc2c2cc(-c3nc4cc(-c5n[nH]c(=O)o5)ccc4n3CCOC)ccc21 | 10.1021/acs.jmedchem.8b01862 | ||
141730923 | 169866 | 0 | None | 1 | 2 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 484 | 7 | 2 | 6 | 4.8 | C[C@H](NC(=O)c1c(-c2ccoc2)nnn1Cc1ccc(C(F)(F)F)cc1)c1ccc(C(=O)O)cc1 | 10.1021/acs.jmedchem.9b01269 | ||
CHEMBL4440382 | 169866 | 0 | None | 1 | 2 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 484 | 7 | 2 | 6 | 4.8 | C[C@H](NC(=O)c1c(-c2ccoc2)nnn1Cc1ccc(C(F)(F)F)cc1)c1ccc(C(=O)O)cc1 | 10.1021/acs.jmedchem.9b01269 | ||
141730904 | 175373 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 524 | 9 | 2 | 6 | 5.2 | C[C@H](NC(=O)c1c(-c2ccccc2)nnn1CCOc1ccc(C(F)(F)F)cc1)c1ccc(C(=O)O)cc1 | 10.1021/acs.jmedchem.9b01269 | ||
CHEMBL4574900 | 175373 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 524 | 9 | 2 | 6 | 5.2 | C[C@H](NC(=O)c1c(-c2ccccc2)nnn1CCOc1ccc(C(F)(F)F)cc1)c1ccc(C(=O)O)cc1 | 10.1021/acs.jmedchem.9b01269 | ||
12017 | 1102 | 0 | None | 5 | 2 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 425 | 6 | 2 | 4 | 4.2 | O=C(NCc1ccc(C(=O)O)cc1)c1c(Cc2ccc(F)cc2)sc2c1CCOC2 | 10.1021/acs.jmedchem.2c00448 | ||
138670561 | 1102 | 0 | None | 5 | 2 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 425 | 6 | 2 | 4 | 4.2 | O=C(NCc1ccc(C(=O)O)cc1)c1c(Cc2ccc(F)cc2)sc2c1CCOC2 | 10.1021/acs.jmedchem.2c00448 | ||
CHEMBL5186525 | 1102 | 0 | None | 5 | 2 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 425 | 6 | 2 | 4 | 4.2 | O=C(NCc1ccc(C(=O)O)cc1)c1c(Cc2ccc(F)cc2)sc2c1CCOC2 | 10.1021/acs.jmedchem.2c00448 | ||
138670961 | 192054 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 439 | 6 | 2 | 4 | 4.7 | C[C@H](NC(=O)c1c(Cc2cccc(F)c2)sc2c1CCOC2)c1ccc(C(=O)O)cc1 | 10.1021/acs.jmedchem.2c00448 | ||
CHEMBL5202462 | 192054 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 439 | 6 | 2 | 4 | 4.7 | C[C@H](NC(=O)c1c(Cc2cccc(F)c2)sc2c1CCOC2)c1ccc(C(=O)O)cc1 | 10.1021/acs.jmedchem.2c00448 | ||
118191085 | 136849 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 426 | 5 | 3 | 4 | 5.0 | Cc1ccc(C(=O)O)c(C)c1NC(=O)c1cc(-c2cccc(CO)c2)nc2ccccc12 | 10.1016/j.bmcl.2015.11.023 | ||
CHEMBL3741902 | 136849 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 426 | 5 | 3 | 4 | 5.0 | Cc1ccc(C(=O)O)c(C)c1NC(=O)c1cc(-c2cccc(CO)c2)nc2ccccc12 | 10.1016/j.bmcl.2015.11.023 | ||
90202434 | 173353 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 461 | 6 | 1 | 5 | 6.1 | CCn1c2ccc(-c3nc4c(C)c(C(=O)O)ccc4n3CCOC)cc2c2cccc(Cl)c21 | 10.1021/acs.jmedchem.8b01862 | ||
CHEMBL4527180 | 173353 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 461 | 6 | 1 | 5 | 6.1 | CCn1c2ccc(-c3nc4c(C)c(C(=O)O)ccc4n3CCOC)cc2c2cccc(Cl)c21 | 10.1021/acs.jmedchem.8b01862 | ||
146014480 | 173712 | 16 | None | 4 | 2 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 458 | 7 | 2 | 5 | 4.6 | C/C=C/c1nnn(Cc2ccc(C(F)(F)F)cc2)c1C(=O)N[C@@H](C)c1ccc(C(=O)O)cc1 | 10.1021/acs.jmedchem.9b01269 | ||
CHEMBL4535971 | 173712 | 16 | None | 4 | 2 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 458 | 7 | 2 | 5 | 4.6 | C/C=C/c1nnn(Cc2ccc(C(F)(F)F)cc2)c1C(=O)N[C@@H](C)c1ccc(C(=O)O)cc1 | 10.1021/acs.jmedchem.9b01269 | ||
24953628 | 200601 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 427 | 6 | 2 | 3 | 5.8 | Cc1sc(C)c(C(=O)N[C@@H](C)c2ccc(C(=O)O)cc2)c1Cc1ccc(Cl)cc1 | 10.1021/jm901771h | ||
CHEMBL599262 | 200601 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 427 | 6 | 2 | 3 | 5.8 | Cc1sc(C)c(C(=O)N[C@@H](C)c2ccc(C(=O)O)cc2)c1Cc1ccc(Cl)cc1 | 10.1021/jm901771h | ||
89914524 | 122593 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 408 | 8 | 2 | 4 | 3.4 | O=C(O)c1ccc(C2(NC(=O)[C@H]3CCCCN3CCOc3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2015.05.091 | ||
CHEMBL3600788 | 122593 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 408 | 8 | 2 | 4 | 3.4 | O=C(O)c1ccc(C2(NC(=O)[C@H]3CCCCN3CCOc3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2015.05.091 | ||
CHEMBL3601973 | 122593 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 408 | 8 | 2 | 4 | 3.4 | O=C(O)c1ccc(C2(NC(=O)[C@H]3CCCCN3CCOc3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2015.05.091 | ||
72695136 | 131333 | 2 | None | -2 | 2 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 383 | 4 | 3 | 5 | 2.9 | Cc1ccc(N2CCC(O)CC2)nc1C(=O)Nc1c(C)cc(C(=O)O)cc1C | 10.1016/j.bmcl.2016.03.041 | ||
CHEMBL3686863 | 131333 | 2 | None | -2 | 2 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 383 | 4 | 3 | 5 | 2.9 | Cc1ccc(N2CCC(O)CC2)nc1C(=O)Nc1c(C)cc(C(=O)O)cc1C | 10.1016/j.bmcl.2016.03.041 | ||
72695027 | 106264 | 0 | None | -2 | 3 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 396 | 8 | 2 | 4 | 3.5 | C[C@H](NC(=O)[C@H]1CCCCN1CCOc1ccccc1)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2015.05.091 | ||
CHEMBL3115074 | 106264 | 0 | None | -2 | 3 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 396 | 8 | 2 | 4 | 3.5 | C[C@H](NC(=O)[C@H]1CCCCN1CCOc1ccccc1)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2015.05.091 | ||
CHEMBL3138992 | 106264 | 0 | None | -2 | 3 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 396 | 8 | 2 | 4 | 3.5 | C[C@H](NC(=O)[C@H]1CCCCN1CCOc1ccccc1)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2015.05.091 | ||
118191081 | 136572 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 395 | 4 | 2 | 2 | 6.1 | Cc1ccc(C(=O)O)c(C)c1NC(=O)c1cc(-c2ccccc2)cc2ccccc12 | 10.1016/j.bmcl.2015.11.023 | ||
CHEMBL3739435 | 136572 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 395 | 4 | 2 | 2 | 6.1 | Cc1ccc(C(=O)O)c(C)c1NC(=O)c1cc(-c2ccccc2)cc2ccccc12 | 10.1016/j.bmcl.2015.11.023 | ||
53323904 | 57109 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 414 | 6 | 2 | 3 | 4.7 | Cc1ccc(CN2CCc3cccc(C(=O)N[C@@H](C)c4ccc(C(=O)O)cc4)c32)cc1 | 10.1016/j.bmcl.2010.10.106 | ||
CHEMBL1645148 | 57109 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 414 | 6 | 2 | 3 | 4.7 | Cc1ccc(CN2CCc3cccc(C(=O)N[C@@H](C)c4ccc(C(=O)O)cc4)c32)cc1 | 10.1016/j.bmcl.2010.10.106 | ||
24765672 | 7087 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 432 | 6 | 2 | 3 | 5.5 | C[C@H](NC(=O)c1cccc2ccn(Cc3cccc(Cl)c3)c12)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2010.04.065 | ||
CHEMBL1085081 | 7087 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 432 | 6 | 2 | 3 | 5.5 | C[C@H](NC(=O)c1cccc2ccn(Cc3cccc(Cl)c3)c12)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2010.04.065 | ||
71502474 | 154538 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 420 | 6 | 2 | 3 | 4.2 | C[C@H](NC(=O)[C@H]1CCCN1Cc1ccc(C(F)(F)F)cc1)c1ccc(C(=O)O)cc1 | nan | ||
CHEMBL3894772 | 154538 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 420 | 6 | 2 | 3 | 4.2 | C[C@H](NC(=O)[C@H]1CCCN1Cc1ccc(C(F)(F)F)cc1)c1ccc(C(=O)O)cc1 | nan | ||
CHEMBL3990930 | 154538 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 420 | 6 | 2 | 3 | 4.2 | C[C@H](NC(=O)[C@H]1CCCN1Cc1ccc(C(F)(F)F)cc1)c1ccc(C(=O)O)cc1 | nan | ||
138672156 | 191574 | 0 | None | -2 | 2 | Mouse | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 453 | 7 | 2 | 4 | 4.9 | C[C@H](NC(=O)c1c(CCc2ccc(F)cc2)sc2c1CCOC2)c1ccc(C(=O)O)cc1 | 10.1021/acs.jmedchem.2c00448 | ||
CHEMBL5195058 | 191574 | 0 | None | -2 | 2 | Mouse | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 453 | 7 | 2 | 4 | 4.9 | C[C@H](NC(=O)c1c(CCc2ccc(F)cc2)sc2c1CCOC2)c1ccc(C(=O)O)cc1 | 10.1021/acs.jmedchem.2c00448 | ||
90202594 | 175849 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 425 | 5 | 1 | 5 | 5.3 | CCn1c2ccccc2c2cc(-c3nc4cc(C(=O)O)ccc4n3CC3CCO3)ccc21 | 10.1021/acs.jmedchem.8b01862 | ||
CHEMBL4585611 | 175849 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 425 | 5 | 1 | 5 | 5.3 | CCn1c2ccccc2c2cc(-c3nc4cc(C(=O)O)ccc4n3CC3CCO3)ccc21 | 10.1021/acs.jmedchem.8b01862 | ||
155541822 | 173072 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 458 | 7 | 2 | 5 | 4.4 | C[C@H](NC(=O)c1c(C2CC2)nnn1Cc1ccc(C(F)(F)F)cc1)c1ccc(C(=O)O)cc1 | 10.1021/acs.jmedchem.9b01269 | ||
CHEMBL4519666 | 173072 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 458 | 7 | 2 | 5 | 4.4 | C[C@H](NC(=O)c1c(C2CC2)nnn1Cc1ccc(C(F)(F)F)cc1)c1ccc(C(=O)O)cc1 | 10.1021/acs.jmedchem.9b01269 | ||
155556156 | 174500 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 441 | 6 | 1 | 5 | 5.8 | CCn1c2ccc(-c3nc4c(C)c(C(=O)O)ccc4n3CCOC)cc2c2c(C)cccc21 | 10.1021/acs.jmedchem.8b01862 | ||
CHEMBL4554923 | 174500 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 441 | 6 | 1 | 5 | 5.8 | CCn1c2ccc(-c3nc4c(C)c(C(=O)O)ccc4n3CCOC)cc2c2c(C)cccc21 | 10.1021/acs.jmedchem.8b01862 | ||
141730923 | 169866 | 0 | None | -1 | 2 | Mouse | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 484 | 7 | 2 | 6 | 4.8 | C[C@H](NC(=O)c1c(-c2ccoc2)nnn1Cc1ccc(C(F)(F)F)cc1)c1ccc(C(=O)O)cc1 | 10.1021/acs.jmedchem.9b01269 | ||
CHEMBL4440382 | 169866 | 0 | None | -1 | 2 | Mouse | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 484 | 7 | 2 | 6 | 4.8 | C[C@H](NC(=O)c1c(-c2ccoc2)nnn1Cc1ccc(C(F)(F)F)cc1)c1ccc(C(=O)O)cc1 | 10.1021/acs.jmedchem.9b01269 | ||
155560334 | 175064 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 512 | 7 | 2 | 5 | 5.3 | C[C@H](NC(=O)c1c(-c2ccc(F)cc2)nnn1Cc1ccc(C(F)(F)F)cc1)c1ccc(C(=O)O)cc1 | 10.1021/acs.jmedchem.9b01269 | ||
CHEMBL4568156 | 175064 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 512 | 7 | 2 | 5 | 5.3 | C[C@H](NC(=O)c1c(-c2ccc(F)cc2)nnn1Cc1ccc(C(F)(F)F)cc1)c1ccc(C(=O)O)cc1 | 10.1021/acs.jmedchem.9b01269 | ||
58905358 | 159589 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 384 | 6 | 2 | 4 | 3.8 | O=C(O)c1ccc(CNC(=O)c2cc(F)cnc2Oc2ccc(F)cc2)cc1 | 10.1016/j.bmcl.2017.01.067 | ||
CHEMBL4103046 | 159589 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 384 | 6 | 2 | 4 | 3.8 | O=C(O)c1ccc(CNC(=O)c2cc(F)cnc2Oc2ccc(F)cc2)cc1 | 10.1016/j.bmcl.2017.01.067 | ||
24765672 | 7087 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 432 | 6 | 2 | 3 | 5.5 | C[C@H](NC(=O)c1cccc2ccn(Cc3cccc(Cl)c3)c12)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2010.10.106 | ||
CHEMBL1085081 | 7087 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 432 | 6 | 2 | 3 | 5.5 | C[C@H](NC(=O)c1cccc2ccn(Cc3cccc(Cl)c3)c12)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2010.10.106 | ||
146014480 | 173712 | 16 | None | 4 | 2 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 458 | 7 | 2 | 5 | 4.6 | C/C=C/c1nnn(Cc2ccc(C(F)(F)F)cc2)c1C(=O)N[C@@H](C)c1ccc(C(=O)O)cc1 | 10.1021/acs.jmedchem.9b01269 | ||
CHEMBL4535971 | 173712 | 16 | None | 4 | 2 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 458 | 7 | 2 | 5 | 4.6 | C/C=C/c1nnn(Cc2ccc(C(F)(F)F)cc2)c1C(=O)N[C@@H](C)c1ccc(C(=O)O)cc1 | 10.1021/acs.jmedchem.9b01269 | ||
136216100 | 175685 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 453 | 6 | 1 | 7 | 4.8 | CCn1c2ccccc2c2cc(-c3nc4cc(-c5noc(=O)[nH]5)ccc4n3CCOC)ccc21 | 10.1021/acs.jmedchem.8b01862 | ||
CHEMBL4581918 | 175685 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 453 | 6 | 1 | 7 | 4.8 | CCn1c2ccccc2c2cc(-c3nc4cc(-c5noc(=O)[nH]5)ccc4n3CCOC)ccc21 | 10.1021/acs.jmedchem.8b01862 | ||
53317328 | 57097 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 418 | 6 | 2 | 3 | 4.6 | C[C@H](NC(=O)c1cccc2c1N(Cc1ccc(F)cc1)CC2)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2010.10.106 | ||
CHEMBL1645136 | 57097 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 418 | 6 | 2 | 3 | 4.6 | C[C@H](NC(=O)c1cccc2c1N(Cc1ccc(F)cc1)CC2)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2010.10.106 | ||
168271481 | 190610 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 539 | 7 | 2 | 5 | 6.2 | C[C@H](NC(=O)c1c(Cc2ccc(OC(F)(F)F)c(Cl)c2)sc2c1CCOC2)c1ccc(C(=O)O)cc1 | 10.1021/acs.jmedchem.2c00448 | ||
CHEMBL5180884 | 190610 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 539 | 7 | 2 | 5 | 6.2 | C[C@H](NC(=O)c1c(Cc2ccc(OC(F)(F)F)c(Cl)c2)sc2c1CCOC2)c1ccc(C(=O)O)cc1 | 10.1021/acs.jmedchem.2c00448 | ||
76284477 | 172826 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 437 | 6 | 1 | 7 | 4.7 | CCn1c2ccccc2c2cc(-c3nc4cc(-c5nnn[nH]5)ccc4n3CCOC)ccc21 | 10.1021/acs.jmedchem.8b01862 | ||
CHEMBL4514122 | 172826 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 437 | 6 | 1 | 7 | 4.7 | CCn1c2ccccc2c2cc(-c3nc4cc(-c5nnn[nH]5)ccc4n3CCOC)ccc21 | 10.1021/acs.jmedchem.8b01862 | ||
72695027 | 106264 | 0 | None | -2 | 3 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 396 | 8 | 2 | 4 | 3.5 | C[C@H](NC(=O)[C@H]1CCCCN1CCOc1ccccc1)c1ccc(C(=O)O)cc1 | 10.1021/ml5000367 | ||
CHEMBL3115074 | 106264 | 0 | None | -2 | 3 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 396 | 8 | 2 | 4 | 3.5 | C[C@H](NC(=O)[C@H]1CCCCN1CCOc1ccccc1)c1ccc(C(=O)O)cc1 | 10.1021/ml5000367 | ||
CHEMBL3138992 | 106264 | 0 | None | -2 | 3 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 396 | 8 | 2 | 4 | 3.5 | C[C@H](NC(=O)[C@H]1CCCCN1CCOc1ccccc1)c1ccc(C(=O)O)cc1 | 10.1021/ml5000367 | ||
137640686 | 157059 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 464 | 6 | 2 | 4 | 5.7 | C[C@H](NC(=O)c1cc(Cl)cnc1Oc1cccc(C(F)(F)F)c1)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2017.01.067 | ||
CHEMBL4074035 | 157059 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 464 | 6 | 2 | 4 | 5.7 | C[C@H](NC(=O)c1cc(Cl)cnc1Oc1cccc(C(F)(F)F)c1)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2017.01.067 | ||
137637160 | 156210 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 414 | 6 | 2 | 4 | 4.9 | C[C@H](NC(=O)c1cc(Cl)cnc1Oc1ccccc1F)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2017.01.067 | ||
CHEMBL4064393 | 156210 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 414 | 6 | 2 | 4 | 4.9 | C[C@H](NC(=O)c1cc(Cl)cnc1Oc1ccccc1F)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2017.01.067 | ||
90202748 | 174625 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 427 | 6 | 1 | 5 | 5.5 | CCn1c2ccccc2c2cc(-c3nc4cc(C(=O)O)c(C)cc4n3CCOC)ccc21 | 10.1021/acs.jmedchem.8b01862 | ||
CHEMBL4557909 | 174625 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 427 | 6 | 1 | 5 | 5.5 | CCn1c2ccccc2c2cc(-c3nc4cc(C(=O)O)c(C)cc4n3CCOC)ccc21 | 10.1021/acs.jmedchem.8b01862 | ||
53323098 | 57700 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 627 | 10 | 2 | 6 | 6.2 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)NS(=O)(=O)c4ccc(C)cc4)CC3)cc1C)C2 | 10.1016/j.bmcl.2010.12.014 | ||
CHEMBL1669013 | 57700 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 627 | 10 | 2 | 6 | 6.2 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)NS(=O)(=O)c4ccc(C)cc4)CC3)cc1C)C2 | 10.1016/j.bmcl.2010.12.014 | ||
90202705 | 173438 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 423 | 6 | 1 | 4 | 6.3 | CCCn1c2ccccc2c2cc(-c3nc4cc(C(=O)O)ccc4n3CC3CC3)ccc21 | 10.1021/acs.jmedchem.8b01862 | ||
CHEMBL4529022 | 173438 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 423 | 6 | 1 | 4 | 6.3 | CCCn1c2ccccc2c2cc(-c3nc4cc(C(=O)O)ccc4n3CC3CC3)ccc21 | 10.1021/acs.jmedchem.8b01862 | ||
156073541 | 191893 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 448 | 4 | 3 | 5 | 3.1 | C[C@H](NC(=O)c1c(C#Cc2ccc(=O)[nH]c2)sc2c1CCOC2)c1ccc(C(=O)O)cc1 | 10.1021/acs.jmedchem.2c00448 | ||
CHEMBL5199895 | 191893 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 448 | 4 | 3 | 5 | 3.1 | C[C@H](NC(=O)c1c(C#Cc2ccc(=O)[nH]c2)sc2c1CCOC2)c1ccc(C(=O)O)cc1 | 10.1021/acs.jmedchem.2c00448 | ||
155516014 | 170042 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 426 | 7 | 2 | 5 | 4.2 | C[C@H](NC(=O)c1c(-c2ccccc2)nnn1Cc1ccccc1)c1ccc(C(=O)O)cc1 | 10.1021/acs.jmedchem.9b01269 | ||
CHEMBL4442888 | 170042 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 426 | 7 | 2 | 5 | 4.2 | C[C@H](NC(=O)c1c(-c2ccccc2)nnn1Cc1ccccc1)c1ccc(C(=O)O)cc1 | 10.1021/acs.jmedchem.9b01269 | ||
168269127 | 189980 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 479 | 8 | 2 | 3 | 6.4 | CCC1CCc2c(sc(CCc3ccc(F)cc3)c2C(=O)N[C@@H](C)c2ccc(C(=O)O)cc2)C1 | 10.1021/acs.jmedchem.2c00448 | ||
CHEMBL5170985 | 189980 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 479 | 8 | 2 | 3 | 6.4 | CCC1CCc2c(sc(CCc3ccc(F)cc3)c2C(=O)N[C@@H](C)c2ccc(C(=O)O)cc2)C1 | 10.1021/acs.jmedchem.2c00448 | ||
155531552 | 171678 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 486 | 7 | 2 | 5 | 5.2 | C[C@H](NC(=O)c1c(C2CCCC2)nnn1Cc1ccc(C(F)(F)F)cc1)c1ccc(C(=O)O)cc1 | 10.1021/acs.jmedchem.9b01269 | ||
CHEMBL4466382 | 171678 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 486 | 7 | 2 | 5 | 5.2 | C[C@H](NC(=O)c1c(C2CCCC2)nnn1Cc1ccc(C(F)(F)F)cc1)c1ccc(C(=O)O)cc1 | 10.1021/acs.jmedchem.9b01269 | ||
155548433 | 173751 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 461 | 6 | 1 | 5 | 6.1 | CCn1c2ccc(-c3nc4c(C)c(C(=O)O)ccc4n3CCOC)cc2c2c(Cl)cccc21 | 10.1021/acs.jmedchem.8b01862 | ||
CHEMBL4536877 | 173751 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 461 | 6 | 1 | 5 | 6.1 | CCn1c2ccc(-c3nc4c(C)c(C(=O)O)ccc4n3CCOC)cc2c2c(Cl)cccc21 | 10.1021/acs.jmedchem.8b01862 | ||
138671611 | 191140 | 0 | None | -1 | 2 | Mouse | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 504 | 7 | 3 | 5 | 5.6 | C[C@H](NC(=O)c1c(NCc2ccc(C(F)(F)F)cc2)sc2c1CCOC2)c1ccc(C(=O)O)cc1 | 10.1021/acs.jmedchem.2c00448 | ||
CHEMBL5188328 | 191140 | 0 | None | -1 | 2 | Mouse | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 504 | 7 | 3 | 5 | 5.6 | C[C@H](NC(=O)c1c(NCc2ccc(C(F)(F)F)cc2)sc2c1CCOC2)c1ccc(C(=O)O)cc1 | 10.1021/acs.jmedchem.2c00448 | ||
155559165 | 174794 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 460 | 8 | 2 | 5 | 4.5 | CCCc1nnn(Cc2ccc(C(F)(F)F)cc2)c1C(=O)N[C@@H](C)c1ccc(C(=O)O)cc1 | 10.1021/acs.jmedchem.9b01269 | ||
CHEMBL4562090 | 174794 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 460 | 8 | 2 | 5 | 4.5 | CCCc1nnn(Cc2ccc(C(F)(F)F)cc2)c1C(=O)N[C@@H](C)c1ccc(C(=O)O)cc1 | 10.1021/acs.jmedchem.9b01269 | ||
90202290 | 173485 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 439 | 5 | 1 | 5 | 5.7 | CCn1c2ccccc2c2cc(-c3nc4cc(C(=O)O)ccc4n3CC3CCCO3)ccc21 | 10.1021/acs.jmedchem.8b01862 | ||
CHEMBL4530347 | 173485 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 439 | 5 | 1 | 5 | 5.7 | CCn1c2ccccc2c2cc(-c3nc4cc(C(=O)O)ccc4n3CC3CCCO3)ccc21 | 10.1021/acs.jmedchem.8b01862 | ||
23660675 | 57101 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 425 | 6 | 2 | 4 | 4.3 | C[C@H](NC(=O)c1cccc2c1N(Cc1ccc(C#N)cc1)CC2)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2010.10.106 | ||
CHEMBL1645140 | 57101 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 425 | 6 | 2 | 4 | 4.3 | C[C@H](NC(=O)c1cccc2c1N(Cc1ccc(C#N)cc1)CC2)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2010.10.106 | ||
56944705 | 129211 | 41 | None | 11 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 483 | 7 | 2 | 5 | 5.4 | C[C@H](NC(=O)c1c(C(F)F)nn(C)c1Oc1cccc(C(F)(F)F)c1)c1ccc(C(=O)O)cc1 | 10.1021/acs.jmedchem.9b01269 | ||
CHEMBL3670685 | 129211 | 41 | None | 11 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 483 | 7 | 2 | 5 | 5.4 | C[C@H](NC(=O)c1c(C(F)F)nn(C)c1Oc1cccc(C(F)(F)F)c1)c1ccc(C(=O)O)cc1 | 10.1021/acs.jmedchem.9b01269 | ||
56944705 | 129211 | 41 | None | 11 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 483 | 7 | 2 | 5 | 5.4 | C[C@H](NC(=O)c1c(C(F)F)nn(C)c1Oc1cccc(C(F)(F)F)c1)c1ccc(C(=O)O)cc1 | 10.1021/acs.jmedchem.2c00448 | ||
CHEMBL3670685 | 129211 | 41 | None | 11 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 483 | 7 | 2 | 5 | 5.4 | C[C@H](NC(=O)c1c(C(F)F)nn(C)c1Oc1cccc(C(F)(F)F)c1)c1ccc(C(=O)O)cc1 | 10.1021/acs.jmedchem.2c00448 | ||
141730897 | 176114 | 0 | None | -2 | 3 | Mouse | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 456 | 6 | 2 | 5 | 3.9 | CC#Cc1nnn(Cc2ccc(C(F)(F)F)cc2)c1C(=O)N[C@@H](C)c1ccc(C(=O)O)cc1 | 10.1021/acs.jmedchem.9b01269 | ||
CHEMBL4591792 | 176114 | 0 | None | -2 | 3 | Mouse | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 456 | 6 | 2 | 5 | 3.9 | CC#Cc1nnn(Cc2ccc(C(F)(F)F)cc2)c1C(=O)N[C@@H](C)c1ccc(C(=O)O)cc1 | 10.1021/acs.jmedchem.9b01269 | ||
53325181 | 57111 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 443 | 7 | 3 | 4 | 3.5 | C[C@H](NC(=O)c1cccc2c1N(Cc1cccc(C(N)=O)c1)CC2)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2010.10.106 | ||
CHEMBL1645150 | 57111 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 443 | 7 | 3 | 4 | 3.5 | C[C@H](NC(=O)c1cccc2c1N(Cc1cccc(C(N)=O)c1)CC2)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2010.10.106 | ||
23661017 | 57106 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 443 | 7 | 3 | 4 | 3.5 | C[C@H](NC(=O)c1cccc2c1N(Cc1ccc(C(N)=O)cc1)CC2)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2010.10.106 | ||
CHEMBL1645145 | 57106 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 443 | 7 | 3 | 4 | 3.5 | C[C@H](NC(=O)c1cccc2c1N(Cc1ccc(C(N)=O)cc1)CC2)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2010.10.106 | ||
76283950 | 175129 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 397 | 4 | 1 | 4 | 6.1 | CCn1c2ccccc2c2cc(-c3nc4cc(C(=O)O)ccc4n3C(C)C)ccc21 | 10.1021/acs.jmedchem.8b01862 | ||
CHEMBL4569727 | 175129 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 397 | 4 | 1 | 4 | 6.1 | CCn1c2ccccc2c2cc(-c3nc4cc(C(=O)O)ccc4n3C(C)C)ccc21 | 10.1021/acs.jmedchem.8b01862 | ||
156073547 | 191281 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 453 | 6 | 3 | 5 | 3.6 | C[C@H](NC(=O)c1c(Cc2ccc(F)cc2)sc2c1CCOC2)c1ccc(C(=O)NN)cc1 | 10.1021/acs.jmedchem.2c00448 | ||
CHEMBL5190720 | 191281 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 453 | 6 | 3 | 5 | 3.6 | C[C@H](NC(=O)c1c(Cc2ccc(F)cc2)sc2c1CCOC2)c1ccc(C(=O)NN)cc1 | 10.1021/acs.jmedchem.2c00448 | ||
155568436 | 176010 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 472 | 7 | 2 | 5 | 4.8 | C[C@H](NC(=O)c1c(C2CCC2)nnn1Cc1ccc(C(F)(F)F)cc1)c1ccc(C(=O)O)cc1 | 10.1021/acs.jmedchem.9b01269 | ||
CHEMBL4589657 | 176010 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 472 | 7 | 2 | 5 | 4.8 | C[C@H](NC(=O)c1c(C2CCC2)nnn1Cc1ccc(C(F)(F)F)cc1)c1ccc(C(=O)O)cc1 | 10.1021/acs.jmedchem.9b01269 | ||
155544290 | 173374 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 447 | 6 | 1 | 5 | 5.8 | CCn1c2ccccc2c2cc(-c3nc4cc(C(=O)O)c(Cl)cc4n3CCOC)ccc21 | 10.1021/acs.jmedchem.8b01862 | ||
CHEMBL4527730 | 173374 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 447 | 6 | 1 | 5 | 5.8 | CCn1c2ccccc2c2cc(-c3nc4cc(C(=O)O)c(Cl)cc4n3CCOC)ccc21 | 10.1021/acs.jmedchem.8b01862 | ||
25019694 | 57713 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 641 | 10 | 2 | 6 | 6.5 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)NS(=O)(=O)c4c(C)cccc4C)CC3)cc1C)C2 | 10.1016/j.bmcl.2010.12.014 | ||
CHEMBL1669026 | 57713 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 641 | 10 | 2 | 6 | 6.5 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)NS(=O)(=O)c4c(C)cccc4C)CC3)cc1C)C2 | 10.1016/j.bmcl.2010.12.014 | ||
25018911 | 57695 | 6 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 681 | 10 | 2 | 6 | 7.2 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)NS(=O)(=O)c4c(Cl)cccc4Cl)CC3)cc1C)C2 | 10.1016/j.bmcl.2010.12.014 | ||
CHEMBL1669008 | 57695 | 6 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 681 | 10 | 2 | 6 | 7.2 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)NS(=O)(=O)c4c(Cl)cccc4Cl)CC3)cc1C)C2 | 10.1016/j.bmcl.2010.12.014 | ||
138670564 | 192214 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 439 | 6 | 2 | 4 | 4.7 | C[C@@H](NC(=O)c1c(Cc2ccc(F)cc2)sc2c1CCOC2)c1ccc(C(=O)O)cc1 | 10.1021/acs.jmedchem.2c00448 | ||
CHEMBL5204798 | 192214 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 439 | 6 | 2 | 4 | 4.7 | C[C@@H](NC(=O)c1c(Cc2ccc(F)cc2)sc2c1CCOC2)c1ccc(C(=O)O)cc1 | 10.1021/acs.jmedchem.2c00448 | ||
71186415 | 147482 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 462 | 6 | 2 | 3 | 5.3 | C[C@H](NC(=O)C1CC(C)(C)CCN1Cc1ccc(C(F)(F)F)cc1)c1ccc(C(=O)O)cc1 | nan | ||
CHEMBL3930412 | 147482 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 462 | 6 | 2 | 3 | 5.3 | C[C@H](NC(=O)C1CC(C)(C)CCN1Cc1ccc(C(F)(F)F)cc1)c1ccc(C(=O)O)cc1 | nan | ||
53317329 | 57105 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 512 | 6 | 2 | 3 | 5.9 | C[C@H](NC(=O)c1cccc2c1N(Cc1ccc(Cl)cc1Br)CC2)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2010.10.106 | ||
CHEMBL1645144 | 57105 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 512 | 6 | 2 | 3 | 5.9 | C[C@H](NC(=O)c1cccc2c1N(Cc1ccc(Cl)cc1Br)CC2)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2010.10.106 | ||
155529786 | 171456 | 0 | None | 107 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 494 | 7 | 2 | 5 | 5.2 | C[C@H](NC(=O)c1c(-c2ccccc2)nnn1Cc1ccc(C(F)(F)F)cc1)c1ccc(C(=O)O)cc1 | 10.1021/acs.jmedchem.9b01269 | ||
CHEMBL4463343 | 171456 | 0 | None | 107 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 494 | 7 | 2 | 5 | 5.2 | C[C@H](NC(=O)c1c(-c2ccccc2)nnn1Cc1ccc(C(F)(F)F)cc1)c1ccc(C(=O)O)cc1 | 10.1021/acs.jmedchem.9b01269 | ||
24953286 | 201382 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 427 | 6 | 2 | 3 | 5.8 | Cc1sc(C)c(C(=O)N[C@@H](C)c2ccc(C(=O)O)cc2)c1Cc1cccc(Cl)c1 | 10.1021/jm901771h | ||
CHEMBL604546 | 201382 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 427 | 6 | 2 | 3 | 5.8 | Cc1sc(C)c(C(=O)N[C@@H](C)c2ccc(C(=O)O)cc2)c1Cc1cccc(Cl)c1 | 10.1021/jm901771h | ||
74762651 | 172483 | 0 | None | -17 | 2 | Mouse | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 413 | 6 | 1 | 5 | 5.2 | CCn1c2ccccc2c2cc(-c3nc4cc(C(=O)O)ccc4n3CCOC)ccc21 | 10.1021/acs.jmedchem.8b01862 | ||
CHEMBL4483026 | 172483 | 0 | None | -17 | 2 | Mouse | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 413 | 6 | 1 | 5 | 5.2 | CCn1c2ccccc2c2cc(-c3nc4cc(C(=O)O)ccc4n3CCOC)ccc21 | 10.1021/acs.jmedchem.8b01862 | ||
76281184 | 174700 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 426 | 6 | 1 | 5 | 5.1 | CCn1c2ccccc2c2cc(-c3nc4cc(C(=O)O)ccc4n3CCN(C)C)ccc21 | 10.1021/acs.jmedchem.8b01862 | ||
CHEMBL4559616 | 174700 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 426 | 6 | 1 | 5 | 5.1 | CCn1c2ccccc2c2cc(-c3nc4cc(C(=O)O)ccc4n3CCN(C)C)ccc21 | 10.1021/acs.jmedchem.8b01862 | ||
86707358 | 139444 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 383 | 5 | 3 | 5 | 2.8 | Cc1ccc(N2CCC(CO)C2)nc1C(=O)Nc1c(C)cc(C(=O)O)cc1C | 10.1016/j.bmcl.2016.03.041 | ||
CHEMBL3793994 | 139444 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 383 | 5 | 3 | 5 | 2.8 | Cc1ccc(N2CCC(CO)C2)nc1C(=O)Nc1c(C)cc(C(=O)O)cc1C | 10.1016/j.bmcl.2016.03.041 | ||
86707355 | 139353 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 397 | 4 | 3 | 5 | 3.3 | Cc1ccc(N2CCC(C)(O)CC2)nc1C(=O)Nc1c(C)ccc(C(=O)O)c1C | 10.1016/j.bmcl.2016.03.041 | ||
CHEMBL3792999 | 139353 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 397 | 4 | 3 | 5 | 3.3 | Cc1ccc(N2CCC(C)(O)CC2)nc1C(=O)Nc1c(C)ccc(C(=O)O)c1C | 10.1016/j.bmcl.2016.03.041 | ||
71204672 | 144609 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 470 | 6 | 2 | 3 | 4.9 | C[C@H](NC(=O)[C@H]1CC(F)(F)CCN1Cc1ccc(C(F)(F)F)cc1)c1ccc(C(=O)O)cc1 | nan | ||
CHEMBL3907863 | 144609 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 470 | 6 | 2 | 3 | 4.9 | C[C@H](NC(=O)[C@H]1CC(F)(F)CCN1Cc1ccc(C(F)(F)F)cc1)c1ccc(C(=O)O)cc1 | nan | ||
155528854 | 171386 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 456 | 8 | 2 | 6 | 4.2 | COc1ccc(Cn2nnc(-c3ccccc3)c2C(=O)N[C@@H](C)c2ccc(C(=O)O)cc2)cc1 | 10.1021/acs.jmedchem.9b01269 | ||
CHEMBL4462095 | 171386 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 456 | 8 | 2 | 6 | 4.2 | COc1ccc(Cn2nnc(-c3ccccc3)c2C(=O)N[C@@H](C)c2ccc(C(=O)O)cc2)cc1 | 10.1021/acs.jmedchem.9b01269 | ||
168292957 | 192063 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 477 | 6 | 2 | 4 | 5.9 | C[C@H](NC(=O)c1c(Cc2ccc(C(C)(C)C)cc2)sc2c1CCOC2)c1ccc(C(=O)O)cc1 | 10.1021/acs.jmedchem.2c00448 | ||
CHEMBL5202597 | 192063 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 477 | 6 | 2 | 4 | 5.9 | C[C@H](NC(=O)c1c(Cc2ccc(C(C)(C)C)cc2)sc2c1CCOC2)c1ccc(C(=O)O)cc1 | 10.1021/acs.jmedchem.2c00448 | ||
25003075 | 6836 | 18 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 478 | 6 | 2 | 3 | 5.8 | O=C(O)c1ccc(C2(NC(=O)c3cccc4ccn(Cc5ccc(C(F)(F)F)cc5)c34)CC2)cc1 | 10.1016/j.bmcl.2010.04.065 | ||
CHEMBL1084009 | 6836 | 18 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | 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 | ||
155529786 | 171456 | 0 | None | -107 | 2 | Mouse | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 494 | 7 | 2 | 5 | 5.2 | C[C@H](NC(=O)c1c(-c2ccccc2)nnn1Cc1ccc(C(F)(F)F)cc1)c1ccc(C(=O)O)cc1 | 10.1021/acs.jmedchem.9b01269 | ||
CHEMBL4463343 | 171456 | 0 | None | -107 | 2 | Mouse | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 494 | 7 | 2 | 5 | 5.2 | C[C@H](NC(=O)c1c(-c2ccccc2)nnn1Cc1ccc(C(F)(F)F)cc1)c1ccc(C(=O)O)cc1 | 10.1021/acs.jmedchem.9b01269 | ||
137661981 | 159528 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 430 | 6 | 2 | 4 | 5.4 | C[C@H](NC(=O)c1cc(Cl)cnc1Oc1ccccc1Cl)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2017.01.067 | ||
CHEMBL4102314 | 159528 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 430 | 6 | 2 | 4 | 5.4 | C[C@H](NC(=O)c1cc(Cl)cnc1Oc1ccccc1Cl)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2017.01.067 | ||
11626153 | 157914 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 430 | 6 | 2 | 4 | 5.4 | C[C@H](NC(=O)c1cc(Cl)cnc1Oc1ccc(Cl)cc1)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2017.01.067 | ||
CHEMBL4084355 | 157914 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 430 | 6 | 2 | 4 | 5.4 | C[C@H](NC(=O)c1cc(Cl)cnc1Oc1ccc(Cl)cc1)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2017.01.067 | ||
86707359 | 139434 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 397 | 5 | 2 | 5 | 3.6 | COC1CCN(c2ccc(C)c(C(=O)Nc3c(C)cc(C(=O)O)cc3C)n2)CC1 | 10.1016/j.bmcl.2016.03.041 | ||
CHEMBL3793912 | 139434 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 397 | 5 | 2 | 5 | 3.6 | COC1CCN(c2ccc(C)c(C(=O)Nc3c(C)cc(C(=O)O)cc3C)n2)CC1 | 10.1016/j.bmcl.2016.03.041 | ||
155524501 | 170961 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 456 | 8 | 2 | 6 | 4.2 | COc1cccc(Cn2nnc(-c3ccccc3)c2C(=O)N[C@@H](C)c2ccc(C(=O)O)cc2)c1 | 10.1021/acs.jmedchem.9b01269 | ||
CHEMBL4455816 | 170961 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 456 | 8 | 2 | 6 | 4.2 | COc1cccc(Cn2nnc(-c3ccccc3)c2C(=O)N[C@@H](C)c2ccc(C(=O)O)cc2)c1 | 10.1021/acs.jmedchem.9b01269 | ||
11577792 | 159316 | 19 | None | - | 2 | Mouse | 9.0 | pKd | = | 9 | Functional | ChEMBL | 414 | 6 | 2 | 4 | 4.9 | C[C@H](NC(=O)c1cc(Cl)cnc1Oc1cccc(F)c1)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2017.01.067 | ||
CHEMBL4099851 | 159316 | 19 | None | - | 2 | Mouse | 9.0 | pKd | = | 9 | Functional | ChEMBL | 414 | 6 | 2 | 4 | 4.9 | C[C@H](NC(=O)c1cc(Cl)cnc1Oc1cccc(F)c1)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2017.01.067 | ||
11577792 | 159316 | 19 | None | 309 | 2 | Human | 9.0 | pKd | = | 9.0 | Functional | ChEMBL | 414 | 6 | 2 | 4 | 4.9 | C[C@H](NC(=O)c1cc(Cl)cnc1Oc1cccc(F)c1)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2017.01.067 | ||
CHEMBL4099851 | 159316 | 19 | None | 309 | 2 | Human | 9.0 | pKd | = | 9.0 | Functional | ChEMBL | 414 | 6 | 2 | 4 | 4.9 | C[C@H](NC(=O)c1cc(Cl)cnc1Oc1cccc(F)c1)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2017.01.067 | ||
11575201 | 157420 | 0 | None | 100 | 2 | Human | 8.9 | pKd | = | 8.9 | Functional | ChEMBL | 413 | 6 | 2 | 3 | 5.5 | C[C@H](NC(=O)c1cc(Cl)ccc1Oc1cccc(F)c1)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2017.01.067 | ||
CHEMBL4078648 | 157420 | 0 | None | 100 | 2 | Human | 8.9 | pKd | = | 8.9 | Functional | ChEMBL | 413 | 6 | 2 | 3 | 5.5 | C[C@H](NC(=O)c1cc(Cl)ccc1Oc1cccc(F)c1)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2017.01.067 | ||
11524454 | 945 | 55 | None | 52 | 2 | Human | 8.8 | pKd | = | 8.8 | Functional | ChEMBL | 413 | 6 | 2 | 3 | 5.5 | Clc1ccc(c(c1)C(=O)N[C@H](c1ccc(cc1)C(=O)O)C)Oc1ccc(cc1)F | 10.1016/j.bmcl.2017.01.067 | ||
5857 | 945 | 55 | None | 52 | 2 | Human | 8.8 | pKd | = | 8.8 | Functional | ChEMBL | 413 | 6 | 2 | 3 | 5.5 | Clc1ccc(c(c1)C(=O)N[C@H](c1ccc(cc1)C(=O)O)C)Oc1ccc(cc1)F | 10.1016/j.bmcl.2017.01.067 | ||
CHEMBL591666 | 945 | 55 | None | 52 | 2 | Human | 8.8 | pKd | = | 8.8 | Functional | ChEMBL | 413 | 6 | 2 | 3 | 5.5 | Clc1ccc(c(c1)C(=O)N[C@H](c1ccc(cc1)C(=O)O)C)Oc1ccc(cc1)F | 10.1016/j.bmcl.2017.01.067 | ||
11683088 | 158976 | 0 | None | 275 | 2 | Human | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 414 | 6 | 2 | 4 | 4.9 | C[C@H](NC(=O)c1cc(Cl)cnc1Oc1ccc(F)cc1)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2017.01.067 | ||
CHEMBL4096216 | 158976 | 0 | None | 275 | 2 | Human | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 414 | 6 | 2 | 4 | 4.9 | C[C@H](NC(=O)c1cc(Cl)cnc1Oc1ccc(F)cc1)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2017.01.067 | ||
11577792 | 159316 | 19 | None | - | 2 | Rat | 8.3 | pKd | = | 8.3 | Functional | ChEMBL | 414 | 6 | 2 | 4 | 4.9 | C[C@H](NC(=O)c1cc(Cl)cnc1Oc1cccc(F)c1)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2017.01.067 | ||
CHEMBL4099851 | 159316 | 19 | None | - | 2 | Rat | 8.3 | pKd | = | 8.3 | Functional | ChEMBL | 414 | 6 | 2 | 4 | 4.9 | C[C@H](NC(=O)c1cc(Cl)cnc1Oc1cccc(F)c1)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2017.01.067 | ||
11677589 | 1857 | 56 | None | - | 1 | Human | 8.3 | pKd | = | 8.3 | Functional | ChEMBL | 491 | 7 | 2 | 6 | 4.1 | CCc1nc2c(n1c1ccc(cc1)CCNC(=O)NS(=O)(=O)c1ccc(cc1)C)cc(nc2C)C | 10.1016/j.bmcl.2017.01.067 | ||
5858 | 1857 | 56 | None | - | 1 | Human | 8.3 | pKd | = | 8.3 | Functional | ChEMBL | 491 | 7 | 2 | 6 | 4.1 | CCc1nc2c(n1c1ccc(cc1)CCNC(=O)NS(=O)(=O)c1ccc(cc1)C)cc(nc2C)C | 10.1016/j.bmcl.2017.01.067 | ||
CHEMBL3039498 | 1857 | 56 | None | - | 1 | Human | 8.3 | pKd | = | 8.3 | Functional | ChEMBL | 491 | 7 | 2 | 6 | 4.1 | CCc1nc2c(n1c1ccc(cc1)CCNC(=O)NS(=O)(=O)c1ccc(cc1)C)cc(nc2C)C | 10.1016/j.bmcl.2017.01.067 | ||
DB12836 | 1857 | 56 | None | - | 1 | Human | 8.3 | pKd | = | 8.3 | Functional | ChEMBL | 491 | 7 | 2 | 6 | 4.1 | CCc1nc2c(n1c1ccc(cc1)CCNC(=O)NS(=O)(=O)c1ccc(cc1)C)cc(nc2C)C | 10.1016/j.bmcl.2017.01.067 | ||
146014480 | 173712 | 16 | None | 4 | 2 | Human | 8.3 | pKd | = | 8.3 | Functional | ChEMBL | 458 | 7 | 2 | 5 | 4.6 | C/C=C/c1nnn(Cc2ccc(C(F)(F)F)cc2)c1C(=O)N[C@@H](C)c1ccc(C(=O)O)cc1 | 10.1021/acs.jmedchem.9b01269 | ||
CHEMBL4535971 | 173712 | 16 | None | 4 | 2 | Human | 8.3 | pKd | = | 8.3 | Functional | ChEMBL | 458 | 7 | 2 | 5 | 4.6 | C/C=C/c1nnn(Cc2ccc(C(F)(F)F)cc2)c1C(=O)N[C@@H](C)c1ccc(C(=O)O)cc1 | 10.1021/acs.jmedchem.9b01269 | ||
11677589 | 1857 | 56 | None | - | 1 | Rat | 8.2 | pKd | = | 8.2 | Functional | ChEMBL | 491 | 7 | 2 | 6 | 4.1 | CCc1nc2c(n1c1ccc(cc1)CCNC(=O)NS(=O)(=O)c1ccc(cc1)C)cc(nc2C)C | 10.1016/j.bmcl.2017.01.067 | ||
5858 | 1857 | 56 | None | - | 1 | Rat | 8.2 | pKd | = | 8.2 | Functional | ChEMBL | 491 | 7 | 2 | 6 | 4.1 | CCc1nc2c(n1c1ccc(cc1)CCNC(=O)NS(=O)(=O)c1ccc(cc1)C)cc(nc2C)C | 10.1016/j.bmcl.2017.01.067 | ||
CHEMBL3039498 | 1857 | 56 | None | - | 1 | Rat | 8.2 | pKd | = | 8.2 | Functional | ChEMBL | 491 | 7 | 2 | 6 | 4.1 | CCc1nc2c(n1c1ccc(cc1)CCNC(=O)NS(=O)(=O)c1ccc(cc1)C)cc(nc2C)C | 10.1016/j.bmcl.2017.01.067 | ||
DB12836 | 1857 | 56 | None | - | 1 | Rat | 8.2 | pKd | = | 8.2 | Functional | ChEMBL | 491 | 7 | 2 | 6 | 4.1 | CCc1nc2c(n1c1ccc(cc1)CCNC(=O)NS(=O)(=O)c1ccc(cc1)C)cc(nc2C)C | 10.1016/j.bmcl.2017.01.067 | ||
12017 | 1102 | 0 | None | 5 | 2 | Human | 8.2 | pKd | = | 8.2 | Functional | ChEMBL | 425 | 6 | 2 | 4 | 4.2 | O=C(NCc1ccc(C(=O)O)cc1)c1c(Cc2ccc(F)cc2)sc2c1CCOC2 | 10.1021/acs.jmedchem.2c00448 | ||
138670561 | 1102 | 0 | None | 5 | 2 | Human | 8.2 | pKd | = | 8.2 | Functional | ChEMBL | 425 | 6 | 2 | 4 | 4.2 | O=C(NCc1ccc(C(=O)O)cc1)c1c(Cc2ccc(F)cc2)sc2c1CCOC2 | 10.1021/acs.jmedchem.2c00448 | ||
CHEMBL5186525 | 1102 | 0 | None | 5 | 2 | Human | 8.2 | pKd | = | 8.2 | Functional | ChEMBL | 425 | 6 | 2 | 4 | 4.2 | O=C(NCc1ccc(C(=O)O)cc1)c1c(Cc2ccc(F)cc2)sc2c1CCOC2 | 10.1021/acs.jmedchem.2c00448 | ||
11677589 | 1857 | 56 | None | - | 1 | Mouse | 8.1 | pKd | = | 8.1 | Functional | ChEMBL | 491 | 7 | 2 | 6 | 4.1 | CCc1nc2c(n1c1ccc(cc1)CCNC(=O)NS(=O)(=O)c1ccc(cc1)C)cc(nc2C)C | 10.1016/j.bmcl.2017.01.067 | ||
5858 | 1857 | 56 | None | - | 1 | Mouse | 8.1 | pKd | = | 8.1 | Functional | ChEMBL | 491 | 7 | 2 | 6 | 4.1 | CCc1nc2c(n1c1ccc(cc1)CCNC(=O)NS(=O)(=O)c1ccc(cc1)C)cc(nc2C)C | 10.1016/j.bmcl.2017.01.067 | ||
CHEMBL3039498 | 1857 | 56 | None | - | 1 | Mouse | 8.1 | pKd | = | 8.1 | Functional | ChEMBL | 491 | 7 | 2 | 6 | 4.1 | CCc1nc2c(n1c1ccc(cc1)CCNC(=O)NS(=O)(=O)c1ccc(cc1)C)cc(nc2C)C | 10.1016/j.bmcl.2017.01.067 | ||
DB12836 | 1857 | 56 | None | - | 1 | Mouse | 8.1 | pKd | = | 8.1 | Functional | ChEMBL | 491 | 7 | 2 | 6 | 4.1 | CCc1nc2c(n1c1ccc(cc1)CCNC(=O)NS(=O)(=O)c1ccc(cc1)C)cc(nc2C)C | 10.1016/j.bmcl.2017.01.067 | ||
53323098 | 57700 | 0 | None | - | 1 | Human | 10.0 | pKi | = | 10.0 | Functional | ChEMBL | 627 | 10 | 2 | 6 | 6.2 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)NS(=O)(=O)c4ccc(C)cc4)CC3)cc1C)C2 | 10.1016/j.bmcl.2010.12.014 | ||
CHEMBL1669013 | 57700 | 0 | None | - | 1 | Human | 10.0 | pKi | = | 10.0 | Functional | ChEMBL | 627 | 10 | 2 | 6 | 6.2 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)NS(=O)(=O)c4ccc(C)cc4)CC3)cc1C)C2 | 10.1016/j.bmcl.2010.12.014 | ||
25019183 | 57699 | 0 | None | - | 1 | Human | 9.8 | pKi | = | 9.8 | Functional | ChEMBL | 647 | 10 | 2 | 6 | 6.5 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)NS(=O)(=O)c4ccccc4Cl)CC3)cc1C)C2 | 10.1016/j.bmcl.2010.12.014 | ||
CHEMBL1669012 | 57699 | 0 | None | - | 1 | Human | 9.8 | pKi | = | 9.8 | Functional | ChEMBL | 647 | 10 | 2 | 6 | 6.5 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)NS(=O)(=O)c4ccccc4Cl)CC3)cc1C)C2 | 10.1016/j.bmcl.2010.12.014 | ||
53325765 | 57704 | 0 | None | - | 1 | Human | 9.8 | pKi | = | 9.8 | Functional | ChEMBL | 579 | 11 | 1 | 6 | 5.9 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)Cc4ncccc4OC)CC3)cc1C)C2 | 10.1016/j.bmcl.2010.12.014 | ||
CHEMBL1669017 | 57704 | 0 | None | - | 1 | Human | 9.8 | pKi | = | 9.8 | Functional | ChEMBL | 579 | 11 | 1 | 6 | 5.9 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)Cc4ncccc4OC)CC3)cc1C)C2 | 10.1016/j.bmcl.2010.12.014 | ||
25019185 | 57696 | 0 | None | - | 1 | Human | 9.8 | pKi | = | 9.8 | Functional | ChEMBL | 643 | 11 | 2 | 7 | 5.9 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)NS(=O)(=O)c4ccccc4OC)CC3)cc1C)C2 | 10.1016/j.bmcl.2010.12.014 | ||
CHEMBL1669009 | 57696 | 0 | None | - | 1 | Human | 9.8 | pKi | = | 9.8 | Functional | ChEMBL | 643 | 11 | 2 | 7 | 5.9 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)NS(=O)(=O)c4ccccc4OC)CC3)cc1C)C2 | 10.1016/j.bmcl.2010.12.014 | ||
53325764 | 57703 | 0 | None | - | 1 | Human | 9.7 | pKi | = | 9.7 | Functional | ChEMBL | 622 | 12 | 2 | 6 | 6.2 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)Cc4cc(C(=O)O)ccc4OC)CC3)cc1C)C2 | 10.1016/j.bmcl.2010.12.014 | ||
CHEMBL1669016 | 57703 | 0 | None | - | 1 | Human | 9.7 | pKi | = | 9.7 | Functional | ChEMBL | 622 | 12 | 2 | 6 | 6.2 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)Cc4cc(C(=O)O)ccc4OC)CC3)cc1C)C2 | 10.1016/j.bmcl.2010.12.014 | ||
53323099 | 57705 | 0 | None | - | 1 | Human | 9.7 | pKi | = | 9.7 | Functional | ChEMBL | 578 | 11 | 1 | 5 | 6.5 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)Cc4ccccc4OC)CC3)cc1C)C2 | 10.1016/j.bmcl.2010.12.014 | ||
CHEMBL1669018 | 57705 | 0 | None | - | 1 | Human | 9.7 | pKi | = | 9.7 | Functional | ChEMBL | 578 | 11 | 1 | 5 | 6.5 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)Cc4ccccc4OC)CC3)cc1C)C2 | 10.1016/j.bmcl.2010.12.014 | ||
25019184 | 57697 | 0 | None | - | 1 | Human | 9.6 | pKi | = | 9.6 | Functional | ChEMBL | 627 | 10 | 2 | 6 | 6.2 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)NS(=O)(=O)c4ccccc4C)CC3)cc1C)C2 | 10.1016/j.bmcl.2010.12.014 | ||
CHEMBL1669010 | 57697 | 0 | None | - | 1 | Human | 9.6 | pKi | = | 9.6 | Functional | ChEMBL | 627 | 10 | 2 | 6 | 6.2 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)NS(=O)(=O)c4ccccc4C)CC3)cc1C)C2 | 10.1016/j.bmcl.2010.12.014 | ||
25018911 | 57695 | 6 | None | - | 1 | Human | 9.5 | pKi | = | 9.5 | Functional | ChEMBL | 681 | 10 | 2 | 6 | 7.2 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)NS(=O)(=O)c4c(Cl)cccc4Cl)CC3)cc1C)C2 | 10.1016/j.bmcl.2010.12.014 | ||
CHEMBL1669008 | 57695 | 6 | None | - | 1 | Human | 9.5 | pKi | = | 9.5 | Functional | ChEMBL | 681 | 10 | 2 | 6 | 7.2 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)NS(=O)(=O)c4c(Cl)cccc4Cl)CC3)cc1C)C2 | 10.1016/j.bmcl.2010.12.014 | ||
53319154 | 57702 | 0 | None | - | 1 | Human | 9.5 | pKi | = | 9.5 | Functional | ChEMBL | 582 | 10 | 1 | 4 | 7.2 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)Cc4ccccc4Cl)CC3)cc1C)C2 | 10.1016/j.bmcl.2010.12.014 | ||
CHEMBL1669015 | 57702 | 0 | None | - | 1 | Human | 9.5 | pKi | = | 9.5 | Functional | ChEMBL | 582 | 10 | 1 | 4 | 7.2 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)Cc4ccccc4Cl)CC3)cc1C)C2 | 10.1016/j.bmcl.2010.12.014 | ||
53325767 | 57710 | 0 | None | - | 0 | Human | 9.5 | pKi | = | 9.5 | Functional | ChEMBL | 552 | 11 | 1 | 5 | 6.0 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CCNC(=O)Cc3ccccc3OC)cc1C)C2 | 10.1016/j.bmcl.2010.12.014 | ||
CHEMBL1669023 | 57710 | 0 | None | - | 0 | Human | 9.5 | pKi | = | 9.5 | Functional | ChEMBL | 552 | 11 | 1 | 5 | 6.0 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CCNC(=O)Cc3ccccc3OC)cc1C)C2 | 10.1016/j.bmcl.2010.12.014 | ||
25019434 | 57692 | 0 | None | - | 1 | Human | 9.5 | pKi | = | 9.5 | Functional | ChEMBL | 673 | 12 | 2 | 8 | 5.9 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)NS(=O)(=O)c4c(OC)cccc4OC)CC3)cc1C)C2 | 10.1016/j.bmcl.2010.12.014 | ||
CHEMBL1669005 | 57692 | 0 | None | - | 1 | Human | 9.5 | pKi | = | 9.5 | Functional | ChEMBL | 673 | 12 | 2 | 8 | 5.9 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)NS(=O)(=O)c4c(OC)cccc4OC)CC3)cc1C)C2 | 10.1016/j.bmcl.2010.12.014 | ||
53325585 | 57701 | 0 | None | - | 1 | Human | 9.5 | pKi | = | 9.5 | Functional | ChEMBL | 616 | 10 | 1 | 4 | 7.8 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)Cc4ccc(Cl)cc4Cl)CC3)cc1C)C2 | 10.1016/j.bmcl.2010.12.014 | ||
CHEMBL1669014 | 57701 | 0 | None | - | 1 | Human | 9.5 | pKi | = | 9.5 | Functional | ChEMBL | 616 | 10 | 1 | 4 | 7.8 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)Cc4ccc(Cl)cc4Cl)CC3)cc1C)C2 | 10.1016/j.bmcl.2010.12.014 | ||
25016088 | 57693 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Functional | ChEMBL | 681 | 10 | 2 | 6 | 6.9 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)NS(=O)(=O)c4ccccc4C(F)(F)F)CC3)cc1C)C2 | 10.1016/j.bmcl.2010.12.014 | ||
CHEMBL1669006 | 57693 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Functional | ChEMBL | 681 | 10 | 2 | 6 | 6.9 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)NS(=O)(=O)c4ccccc4C(F)(F)F)CC3)cc1C)C2 | 10.1016/j.bmcl.2010.12.014 | ||
25019695 | 57712 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Functional | ChEMBL | 681 | 10 | 2 | 6 | 7.2 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)NS(=O)(=O)c4cccc(Cl)c4Cl)CC3)cc1C)C2 | 10.1016/j.bmcl.2010.12.014 | ||
CHEMBL1669025 | 57712 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Functional | ChEMBL | 681 | 10 | 2 | 6 | 7.2 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)NS(=O)(=O)c4cccc(Cl)c4Cl)CC3)cc1C)C2 | 10.1016/j.bmcl.2010.12.014 | ||
25019694 | 57713 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Functional | ChEMBL | 641 | 10 | 2 | 6 | 6.5 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)NS(=O)(=O)c4c(C)cccc4C)CC3)cc1C)C2 | 10.1016/j.bmcl.2010.12.014 | ||
CHEMBL1669026 | 57713 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Functional | ChEMBL | 641 | 10 | 2 | 6 | 6.5 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)NS(=O)(=O)c4c(C)cccc4C)CC3)cc1C)C2 | 10.1016/j.bmcl.2010.12.014 | ||
24944538 | 57698 | 0 | None | - | 1 | Human | 9.3 | pKi | = | 9.3 | Functional | ChEMBL | 756 | 10 | 2 | 7 | 7.0 | Cc1cc(CC2(NC(=O)NS(=O)(=O)c3ccccc3Cl)CC2)ccc1N1Cc2c(c(OCC(F)(F)F)c3cccnc3c2OCC(F)(F)F)C1=O | 10.1016/j.bmcl.2010.12.014 | ||
CHEMBL1669011 | 57698 | 0 | None | - | 1 | Human | 9.3 | pKi | = | 9.3 | Functional | ChEMBL | 756 | 10 | 2 | 7 | 7.0 | Cc1cc(CC2(NC(=O)NS(=O)(=O)c3ccccc3Cl)CC2)ccc1N1Cc2c(c(OCC(F)(F)F)c3cccnc3c2OCC(F)(F)F)C1=O | 10.1016/j.bmcl.2010.12.014 | ||
25019696 | 57711 | 0 | None | - | 1 | Human | 9.3 | pKi | = | 9.3 | Functional | ChEMBL | 631 | 10 | 2 | 6 | 6.0 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)NS(=O)(=O)c4ccc(F)cc4)CC3)cc1C)C2 | 10.1016/j.bmcl.2010.12.014 | ||
CHEMBL1669024 | 57711 | 0 | None | - | 1 | Human | 9.3 | pKi | = | 9.3 | Functional | ChEMBL | 631 | 10 | 2 | 6 | 6.0 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)NS(=O)(=O)c4ccc(F)cc4)CC3)cc1C)C2 | 10.1016/j.bmcl.2010.12.014 | ||
25019433 | 57691 | 0 | None | - | 1 | Human | 9.3 | pKi | = | 9.3 | Functional | ChEMBL | 691 | 10 | 2 | 6 | 6.6 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)NS(=O)(=O)c4ccccc4Br)CC3)cc1C)C2 | 10.1016/j.bmcl.2010.12.014 | ||
CHEMBL1669004 | 57691 | 0 | None | - | 1 | Human | 9.3 | pKi | = | 9.3 | Functional | ChEMBL | 691 | 10 | 2 | 6 | 6.6 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)NS(=O)(=O)c4ccccc4Br)CC3)cc1C)C2 | 10.1016/j.bmcl.2010.12.014 | ||
25019435 | 57694 | 0 | None | - | 1 | Human | 9.3 | pKi | = | 9.3 | Functional | ChEMBL | 663 | 10 | 2 | 6 | 7.0 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)NS(=O)(=O)c4ccc5ccccc5c4)CC3)cc1C)C2 | 10.1016/j.bmcl.2010.12.014 | ||
CHEMBL1669007 | 57694 | 0 | None | - | 1 | Human | 9.3 | pKi | = | 9.3 | Functional | ChEMBL | 663 | 10 | 2 | 6 | 7.0 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)NS(=O)(=O)c4ccc5ccccc5c4)CC3)cc1C)C2 | 10.1016/j.bmcl.2010.12.014 | ||
53325585 | 57701 | 0 | None | - | 1 | Human | 9.3 | pKi | = | 9.3 | Functional | ChEMBL | 616 | 10 | 1 | 4 | 7.8 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)Cc4ccc(Cl)cc4Cl)CC3)cc1C)C2 | 10.1016/j.bmcl.2010.12.014 | ||
CHEMBL1669014 | 57701 | 0 | None | - | 1 | Human | 9.3 | pKi | = | 9.3 | Functional | ChEMBL | 616 | 10 | 1 | 4 | 7.8 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)Cc4ccc(Cl)cc4Cl)CC3)cc1C)C2 | 10.1016/j.bmcl.2010.12.014 | ||
25019697 | 57689 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Functional | ChEMBL | 697 | 11 | 2 | 7 | 6.8 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)NS(=O)(=O)c4ccc(OC(F)(F)F)cc4)CC3)cc1C)C2 | 10.1016/j.bmcl.2010.12.014 | ||
CHEMBL1669002 | 57689 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Functional | ChEMBL | 697 | 11 | 2 | 7 | 6.8 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)NS(=O)(=O)c4ccc(OC(F)(F)F)cc4)CC3)cc1C)C2 | 10.1016/j.bmcl.2010.12.014 | ||
53321772 | 57706 | 0 | None | - | 0 | Human | 9.2 | pKi | = | 9.2 | Functional | ChEMBL | 567 | 11 | 1 | 6 | 5.8 | CCOc1c2c(c(OCC)c3ncccc13)CN(c1ccc(CC(C)NC(=O)Cc3ccccc3OC)cc1C)C2=O | 10.1016/j.bmcl.2010.12.014 | ||
CHEMBL1669019 | 57706 | 0 | None | - | 0 | Human | 9.2 | pKi | = | 9.2 | Functional | ChEMBL | 567 | 11 | 1 | 6 | 5.8 | CCOc1c2c(c(OCC)c3ncccc13)CN(c1ccc(CC(C)NC(=O)Cc3ccccc3OC)cc1C)C2=O | 10.1016/j.bmcl.2010.12.014 | ||
53323099 | 57705 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Functional | ChEMBL | 578 | 11 | 1 | 5 | 6.5 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)Cc4ccccc4OC)CC3)cc1C)C2 | 10.1016/j.bmcl.2010.12.014 | ||
CHEMBL1669018 | 57705 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Functional | ChEMBL | 578 | 11 | 1 | 5 | 6.5 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)Cc4ccccc4OC)CC3)cc1C)C2 | 10.1016/j.bmcl.2010.12.014 | ||
53324453 | 57709 | 0 | None | - | 0 | Human | 9.2 | pKi | = | 9.2 | Functional | ChEMBL | 596 | 11 | 1 | 5 | 6.4 | COc1ccccc1CC(=O)NCCc1ccc(N2Cc3c(c(OC(F)F)c4ccccc4c3OC(F)F)C2=O)c(C)c1 | 10.1016/j.bmcl.2010.12.014 | ||
CHEMBL1669022 | 57709 | 0 | None | - | 0 | Human | 9.2 | pKi | = | 9.2 | Functional | ChEMBL | 596 | 11 | 1 | 5 | 6.4 | COc1ccccc1CC(=O)NCCc1ccc(N2Cc3c(c(OC(F)F)c4ccccc4c3OC(F)F)C2=O)c(C)c1 | 10.1016/j.bmcl.2010.12.014 | ||
53317842 | 57707 | 0 | None | - | 0 | Human | 9.1 | pKi | = | 9.1 | Functional | ChEMBL | 553 | 11 | 1 | 6 | 5.4 | CCOc1c2c(c(OCC)c3ncccc13)CN(c1ccc(CCNC(=O)Cc3ccccc3OC)cc1C)C2=O | 10.1016/j.bmcl.2010.12.014 | ||
CHEMBL1669020 | 57707 | 0 | None | - | 0 | Human | 9.1 | pKi | = | 9.1 | Functional | ChEMBL | 553 | 11 | 1 | 6 | 5.4 | CCOc1c2c(c(OCC)c3ncccc13)CN(c1ccc(CCNC(=O)Cc3ccccc3OC)cc1C)C2=O | 10.1016/j.bmcl.2010.12.014 | ||
25015836 | 57690 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Functional | ChEMBL | 772 | 10 | 2 | 7 | 7.5 | Cc1cc(CC2(NC(=O)NS(=O)(=O)c3ccc4ccccc4c3)CC2)ccc1N1Cc2c(c(OCC(F)(F)F)c3cccnc3c2OCC(F)(F)F)C1=O | 10.1016/j.bmcl.2010.12.014 | ||
CHEMBL1669003 | 57690 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Functional | ChEMBL | 772 | 10 | 2 | 7 | 7.5 | Cc1cc(CC2(NC(=O)NS(=O)(=O)c3ccc4ccccc4c3)CC2)ccc1N1Cc2c(c(OCC(F)(F)F)c3cccnc3c2OCC(F)(F)F)C1=O | 10.1016/j.bmcl.2010.12.014 | ||
53319154 | 57702 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Functional | ChEMBL | 582 | 10 | 1 | 4 | 7.2 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)Cc4ccccc4Cl)CC3)cc1C)C2 | 10.1016/j.bmcl.2010.12.014 | ||
CHEMBL1669015 | 57702 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Functional | ChEMBL | 582 | 10 | 1 | 4 | 7.2 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)Cc4ccccc4Cl)CC3)cc1C)C2 | 10.1016/j.bmcl.2010.12.014 | ||
53321772 | 57706 | 0 | None | - | 0 | Human | 8.9 | pKi | = | 8.9 | Functional | ChEMBL | 567 | 11 | 1 | 6 | 5.8 | CCOc1c2c(c(OCC)c3ncccc13)CN(c1ccc(CC(C)NC(=O)Cc3ccccc3OC)cc1C)C2=O | 10.1016/j.bmcl.2010.12.014 | ||
CHEMBL1669019 | 57706 | 0 | None | - | 0 | Human | 8.9 | pKi | = | 8.9 | Functional | ChEMBL | 567 | 11 | 1 | 6 | 5.8 | CCOc1c2c(c(OCC)c3ncccc13)CN(c1ccc(CC(C)NC(=O)Cc3ccccc3OC)cc1C)C2=O | 10.1016/j.bmcl.2010.12.014 | ||
53325765 | 57704 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Functional | ChEMBL | 579 | 11 | 1 | 6 | 5.9 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)Cc4ncccc4OC)CC3)cc1C)C2 | 10.1016/j.bmcl.2010.12.014 | ||
CHEMBL1669017 | 57704 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Functional | ChEMBL | 579 | 11 | 1 | 6 | 5.9 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)Cc4ncccc4OC)CC3)cc1C)C2 | 10.1016/j.bmcl.2010.12.014 | ||
25019434 | 57692 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Functional | ChEMBL | 673 | 12 | 2 | 8 | 5.9 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)NS(=O)(=O)c4c(OC)cccc4OC)CC3)cc1C)C2 | 10.1016/j.bmcl.2010.12.014 | ||
CHEMBL1669005 | 57692 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Functional | ChEMBL | 673 | 12 | 2 | 8 | 5.9 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)NS(=O)(=O)c4c(OC)cccc4OC)CC3)cc1C)C2 | 10.1016/j.bmcl.2010.12.014 | ||
25019694 | 57713 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Functional | ChEMBL | 641 | 10 | 2 | 6 | 6.5 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)NS(=O)(=O)c4c(C)cccc4C)CC3)cc1C)C2 | 10.1016/j.bmcl.2010.12.014 | ||
CHEMBL1669026 | 57713 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Functional | ChEMBL | 641 | 10 | 2 | 6 | 6.5 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)NS(=O)(=O)c4c(C)cccc4C)CC3)cc1C)C2 | 10.1016/j.bmcl.2010.12.014 | ||
53323098 | 57700 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Functional | ChEMBL | 627 | 10 | 2 | 6 | 6.2 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)NS(=O)(=O)c4ccc(C)cc4)CC3)cc1C)C2 | 10.1016/j.bmcl.2010.12.014 | ||
CHEMBL1669013 | 57700 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Functional | ChEMBL | 627 | 10 | 2 | 6 | 6.2 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)NS(=O)(=O)c4ccc(C)cc4)CC3)cc1C)C2 | 10.1016/j.bmcl.2010.12.014 | ||
10402929 | 57541 | 0 | None | - | 0 | Human | 5.0 | pKi | = | 5 | Functional | ChEMBL | 306 | 4 | 1 | 1 | 4.7 | O=C(O)/C=C/c1ccccc1Cc1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(01)00056-7 | ||
CHEMBL166351 | 57541 | 0 | None | - | 0 | Human | 5.0 | pKi | = | 5 | 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 | ||
53325766 | 57708 | 0 | None | - | 0 | Human | 7.0 | pKi | = | 7.0 | Functional | ChEMBL | 660 | 11 | 1 | 5 | 7.1 | COc1ccccc1CC(=O)NCCc1ccc(N2Cc3c(c(OCC(F)(F)F)c4ccccc4c3OCC(F)(F)F)C2=O)c(C)c1 | 10.1016/j.bmcl.2010.12.014 | ||
CHEMBL1669021 | 57708 | 0 | None | - | 0 | Human | 7.0 | pKi | = | 7.0 | Functional | ChEMBL | 660 | 11 | 1 | 5 | 7.1 | COc1ccccc1CC(=O)NCCc1ccc(N2Cc3c(c(OCC(F)(F)F)c4ccccc4c3OCC(F)(F)F)C2=O)c(C)c1 | 10.1016/j.bmcl.2010.12.014 | ||
24944538 | 57698 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Functional | ChEMBL | 756 | 10 | 2 | 7 | 7.0 | Cc1cc(CC2(NC(=O)NS(=O)(=O)c3ccccc3Cl)CC2)ccc1N1Cc2c(c(OCC(F)(F)F)c3cccnc3c2OCC(F)(F)F)C1=O | 10.1016/j.bmcl.2010.12.014 | ||
CHEMBL1669011 | 57698 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Functional | ChEMBL | 756 | 10 | 2 | 7 | 7.0 | Cc1cc(CC2(NC(=O)NS(=O)(=O)c3ccccc3Cl)CC2)ccc1N1Cc2c(c(OCC(F)(F)F)c3cccnc3c2OCC(F)(F)F)C1=O | 10.1016/j.bmcl.2010.12.014 | ||
25019183 | 57699 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Functional | ChEMBL | 647 | 10 | 2 | 6 | 6.5 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)NS(=O)(=O)c4ccccc4Cl)CC3)cc1C)C2 | 10.1016/j.bmcl.2010.12.014 | ||
CHEMBL1669012 | 57699 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Functional | ChEMBL | 647 | 10 | 2 | 6 | 6.5 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)NS(=O)(=O)c4ccccc4Cl)CC3)cc1C)C2 | 10.1016/j.bmcl.2010.12.014 | ||
53317842 | 57707 | 0 | None | - | 0 | Human | 8.6 | pKi | = | 8.6 | Functional | ChEMBL | 553 | 11 | 1 | 6 | 5.4 | CCOc1c2c(c(OCC)c3ncccc13)CN(c1ccc(CCNC(=O)Cc3ccccc3OC)cc1C)C2=O | 10.1016/j.bmcl.2010.12.014 | ||
CHEMBL1669020 | 57707 | 0 | None | - | 0 | Human | 8.6 | pKi | = | 8.6 | Functional | ChEMBL | 553 | 11 | 1 | 6 | 5.4 | CCOc1c2c(c(OCC)c3ncccc13)CN(c1ccc(CCNC(=O)Cc3ccccc3OC)cc1C)C2=O | 10.1016/j.bmcl.2010.12.014 | ||
53325767 | 57710 | 0 | None | - | 0 | Human | 8.6 | pKi | = | 8.6 | Functional | ChEMBL | 552 | 11 | 1 | 5 | 6.0 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CCNC(=O)Cc3ccccc3OC)cc1C)C2 | 10.1016/j.bmcl.2010.12.014 | ||
CHEMBL1669023 | 57710 | 0 | None | - | 0 | Human | 8.6 | pKi | = | 8.6 | Functional | ChEMBL | 552 | 11 | 1 | 5 | 6.0 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CCNC(=O)Cc3ccccc3OC)cc1C)C2 | 10.1016/j.bmcl.2010.12.014 | ||
25015836 | 57690 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Functional | ChEMBL | 772 | 10 | 2 | 7 | 7.5 | Cc1cc(CC2(NC(=O)NS(=O)(=O)c3ccc4ccccc4c3)CC2)ccc1N1Cc2c(c(OCC(F)(F)F)c3cccnc3c2OCC(F)(F)F)C1=O | 10.1016/j.bmcl.2010.12.014 | ||
CHEMBL1669003 | 57690 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Functional | ChEMBL | 772 | 10 | 2 | 7 | 7.5 | Cc1cc(CC2(NC(=O)NS(=O)(=O)c3ccc4ccccc4c3)CC2)ccc1N1Cc2c(c(OCC(F)(F)F)c3cccnc3c2OCC(F)(F)F)C1=O | 10.1016/j.bmcl.2010.12.014 | ||
25019696 | 57711 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Functional | ChEMBL | 631 | 10 | 2 | 6 | 6.0 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)NS(=O)(=O)c4ccc(F)cc4)CC3)cc1C)C2 | 10.1016/j.bmcl.2010.12.014 | ||
CHEMBL1669024 | 57711 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Functional | ChEMBL | 631 | 10 | 2 | 6 | 6.0 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)NS(=O)(=O)c4ccc(F)cc4)CC3)cc1C)C2 | 10.1016/j.bmcl.2010.12.014 | ||
25019185 | 57696 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Functional | ChEMBL | 643 | 11 | 2 | 7 | 5.9 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)NS(=O)(=O)c4ccccc4OC)CC3)cc1C)C2 | 10.1016/j.bmcl.2010.12.014 | ||
CHEMBL1669009 | 57696 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Functional | ChEMBL | 643 | 11 | 2 | 7 | 5.9 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)NS(=O)(=O)c4ccccc4OC)CC3)cc1C)C2 | 10.1016/j.bmcl.2010.12.014 | ||
25019184 | 57697 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Functional | ChEMBL | 627 | 10 | 2 | 6 | 6.2 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)NS(=O)(=O)c4ccccc4C)CC3)cc1C)C2 | 10.1016/j.bmcl.2010.12.014 | ||
CHEMBL1669010 | 57697 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Functional | ChEMBL | 627 | 10 | 2 | 6 | 6.2 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)NS(=O)(=O)c4ccccc4C)CC3)cc1C)C2 | 10.1016/j.bmcl.2010.12.014 | ||
25018911 | 57695 | 6 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Functional | ChEMBL | 681 | 10 | 2 | 6 | 7.2 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)NS(=O)(=O)c4c(Cl)cccc4Cl)CC3)cc1C)C2 | 10.1016/j.bmcl.2010.12.014 | ||
CHEMBL1669008 | 57695 | 6 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Functional | ChEMBL | 681 | 10 | 2 | 6 | 7.2 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)NS(=O)(=O)c4c(Cl)cccc4Cl)CC3)cc1C)C2 | 10.1016/j.bmcl.2010.12.014 | ||
9817405 | 165401 | 5 | None | - | 0 | Human | 5.5 | pKi | = | 5.5 | Functional | ChEMBL | 288 | 4 | 1 | 1 | 4.5 | O=C(O)/C=C/c1ccccc1Cc1ccc2ccccc2c1 | 10.1016/s0960-894x(01)00056-7 | ||
CHEMBL423815 | 165401 | 5 | None | - | 0 | Human | 5.5 | pKi | = | 5.5 | Functional | ChEMBL | 288 | 4 | 1 | 1 | 4.5 | O=C(O)/C=C/c1ccccc1Cc1ccc2ccccc2c1 | 10.1016/s0960-894x(01)00056-7 | ||
53325766 | 57708 | 0 | None | - | 0 | Human | 8.4 | pKi | = | 8.4 | Functional | ChEMBL | 660 | 11 | 1 | 5 | 7.1 | COc1ccccc1CC(=O)NCCc1ccc(N2Cc3c(c(OCC(F)(F)F)c4ccccc4c3OCC(F)(F)F)C2=O)c(C)c1 | 10.1016/j.bmcl.2010.12.014 | ||
CHEMBL1669021 | 57708 | 0 | None | - | 0 | Human | 8.4 | pKi | = | 8.4 | Functional | ChEMBL | 660 | 11 | 1 | 5 | 7.1 | COc1ccccc1CC(=O)NCCc1ccc(N2Cc3c(c(OCC(F)(F)F)c4ccccc4c3OCC(F)(F)F)C2=O)c(C)c1 | 10.1016/j.bmcl.2010.12.014 | ||
10483360 | 199226 | 28 | None | - | 4 | Human | 4.4 | pKi | = | 4.4 | Functional | ChEMBL | 580 | 12 | 3 | 6 | 5.8 | CCCCNC(=O)c1ccc(Oc2ccc(CC(=O)O)cc2OC)c(NS(=O)(=O)c2ccc(Cl)cc2Cl)c1 | 10.1016/j.bmcl.2009.09.052 | ||
CHEMBL589973 | 199226 | 28 | None | - | 4 | Human | 4.4 | pKi | = | 4.4 | Functional | ChEMBL | 580 | 12 | 3 | 6 | 5.8 | CCCCNC(=O)c1ccc(Oc2ccc(CC(=O)O)cc2OC)c(NS(=O)(=O)c2ccc(Cl)cc2Cl)c1 | 10.1016/j.bmcl.2009.09.052 | ||
25019697 | 57689 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Functional | ChEMBL | 697 | 11 | 2 | 7 | 6.8 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)NS(=O)(=O)c4ccc(OC(F)(F)F)cc4)CC3)cc1C)C2 | 10.1016/j.bmcl.2010.12.014 | ||
CHEMBL1669002 | 57689 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Functional | ChEMBL | 697 | 11 | 2 | 7 | 6.8 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)NS(=O)(=O)c4ccc(OC(F)(F)F)cc4)CC3)cc1C)C2 | 10.1016/j.bmcl.2010.12.014 | ||
53325764 | 57703 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Functional | ChEMBL | 622 | 12 | 2 | 6 | 6.2 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)Cc4cc(C(=O)O)ccc4OC)CC3)cc1C)C2 | 10.1016/j.bmcl.2010.12.014 | ||
CHEMBL1669016 | 57703 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Functional | ChEMBL | 622 | 12 | 2 | 6 | 6.2 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)Cc4cc(C(=O)O)ccc4OC)CC3)cc1C)C2 | 10.1016/j.bmcl.2010.12.014 | ||
25019435 | 57694 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Functional | ChEMBL | 663 | 10 | 2 | 6 | 7.0 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)NS(=O)(=O)c4ccc5ccccc5c4)CC3)cc1C)C2 | 10.1016/j.bmcl.2010.12.014 | ||
CHEMBL1669007 | 57694 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Functional | ChEMBL | 663 | 10 | 2 | 6 | 7.0 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)NS(=O)(=O)c4ccc5ccccc5c4)CC3)cc1C)C2 | 10.1016/j.bmcl.2010.12.014 | ||
10095268 | 86154 | 0 | None | -3162 | 3 | Human | 5.2 | pKi | = | 5.2 | Functional | ChEMBL | 449 | 6 | 1 | 3 | 6.8 | Cc1ccc(-n2c(C)ccc2-c2cc(Cl)ccc2OCc2ccc(F)cc2)cc1C(=O)O | 10.1016/j.bmcl.2006.11.059 | ||
CHEMBL231184 | 86154 | 0 | None | -3162 | 3 | Human | 5.2 | pKi | = | 5.2 | Functional | ChEMBL | 449 | 6 | 1 | 3 | 6.8 | Cc1ccc(-n2c(C)ccc2-c2cc(Cl)ccc2OCc2ccc(F)cc2)cc1C(=O)O | 10.1016/j.bmcl.2006.11.059 | ||
25019695 | 57712 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Functional | ChEMBL | 681 | 10 | 2 | 6 | 7.2 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)NS(=O)(=O)c4cccc(Cl)c4Cl)CC3)cc1C)C2 | 10.1016/j.bmcl.2010.12.014 | ||
CHEMBL1669025 | 57712 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Functional | ChEMBL | 681 | 10 | 2 | 6 | 7.2 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)NS(=O)(=O)c4cccc(Cl)c4Cl)CC3)cc1C)C2 | 10.1016/j.bmcl.2010.12.014 | ||
25019433 | 57691 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Functional | ChEMBL | 691 | 10 | 2 | 6 | 6.6 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)NS(=O)(=O)c4ccccc4Br)CC3)cc1C)C2 | 10.1016/j.bmcl.2010.12.014 | ||
CHEMBL1669004 | 57691 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Functional | ChEMBL | 691 | 10 | 2 | 6 | 6.6 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)NS(=O)(=O)c4ccccc4Br)CC3)cc1C)C2 | 10.1016/j.bmcl.2010.12.014 | ||
53324453 | 57709 | 0 | None | - | 0 | Human | 8.1 | pKi | = | 8.1 | Functional | ChEMBL | 596 | 11 | 1 | 5 | 6.4 | COc1ccccc1CC(=O)NCCc1ccc(N2Cc3c(c(OC(F)F)c4ccccc4c3OC(F)F)C2=O)c(C)c1 | 10.1016/j.bmcl.2010.12.014 | ||
CHEMBL1669022 | 57709 | 0 | None | - | 0 | Human | 8.1 | pKi | = | 8.1 | Functional | ChEMBL | 596 | 11 | 1 | 5 | 6.4 | COc1ccccc1CC(=O)NCCc1ccc(N2Cc3c(c(OC(F)F)c4ccccc4c3OC(F)F)C2=O)c(C)c1 | 10.1016/j.bmcl.2010.12.014 | ||
25016088 | 57693 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Functional | ChEMBL | 681 | 10 | 2 | 6 | 6.9 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)NS(=O)(=O)c4ccccc4C(F)(F)F)CC3)cc1C)C2 | 10.1016/j.bmcl.2010.12.014 | ||
CHEMBL1669006 | 57693 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Functional | ChEMBL | 681 | 10 | 2 | 6 | 6.9 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)NS(=O)(=O)c4ccccc4C(F)(F)F)CC3)cc1C)C2 | 10.1016/j.bmcl.2010.12.014 | ||
2720 | 3852 | 59 | None | -60 | 5 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 390 | 10 | 3 | 4 | 3.6 | CCCCC[C@@H](CC[C@H]1[C@H](O)C[C@H]2[C@@H]1Cc1cccc(c1C2)OCC(=O)O)O | None | ||
5820 | 3852 | 59 | None | -60 | 5 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 390 | 10 | 3 | 4 | 3.6 | CCCCC[C@@H](CC[C@H]1[C@H](O)C[C@H]2[C@@H]1Cc1cccc(c1C2)OCC(=O)O)O | None | ||
6918140 | 3852 | 59 | None | -60 | 5 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 390 | 10 | 3 | 4 | 3.6 | CCCCC[C@@H](CC[C@H]1[C@H](O)C[C@H]2[C@@H]1Cc1cccc(c1C2)OCC(=O)O)O | None | ||
CHEMBL1237119 | 3852 | 59 | None | -60 | 5 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 390 | 10 | 3 | 4 | 3.6 | CCCCC[C@@H](CC[C@H]1[C@H](O)C[C@H]2[C@@H]1Cc1cccc(c1C2)OCC(=O)O)O | None | ||
DB00374 | 3852 | 59 | None | -60 | 5 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 390 | 10 | 3 | 4 | 3.6 | CCCCC[C@@H](CC[C@H]1[C@H](O)C[C@H]2[C@@H]1Cc1cccc(c1C2)OCC(=O)O)O | None | ||
138 | 3079 | 88 | None | 1 | 10 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | None | ||
149351 | 3079 | 88 | None | 1 | 10 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | None | ||
1882 | 3079 | 88 | None | 1 | 10 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | None | ||
5280723 | 3079 | 88 | None | 1 | 10 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | None | ||
CHEMBL495 | 3079 | 88 | None | 1 | 10 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | None | ||
DB00770 | 3079 | 88 | None | 1 | 10 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | None | ||
1883 | 3080 | 75 | None | -1 | 12 | Human | 6.1 | pEC50 | = | 6.1 | Functional | 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 | 19584306 | ||
1916 | 3080 | 75 | None | -1 | 12 | Human | 6.1 | pEC50 | = | 6.1 | Functional | 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 | 19584306 | ||
5280360 | 3080 | 75 | None | -1 | 12 | Human | 6.1 | pEC50 | = | 6.1 | Functional | 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 | 19584306 | ||
913 | 3080 | 75 | None | -1 | 12 | Human | 6.1 | pEC50 | = | 6.1 | Functional | 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 | 19584306 | ||
CHEMBL548 | 3080 | 75 | None | -1 | 12 | Human | 6.1 | pEC50 | = | 6.1 | Functional | 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 | 19584306 | ||
DB00917 | 3080 | 75 | None | -1 | 12 | Human | 6.1 | pEC50 | = | 6.1 | Functional | 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 | 19584306 | ||
1884 | 3081 | 52 | None | -45 | 9 | Human | 6.1 | pEC50 | = | 6.1 | Functional | 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 | 19584306 | ||
5280363 | 3081 | 52 | None | -45 | 9 | Human | 6.1 | pEC50 | = | 6.1 | Functional | 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 | 19584306 | ||
912 | 3081 | 52 | None | -45 | 9 | Human | 6.1 | pEC50 | = | 6.1 | Functional | 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 | 19584306 | ||
CHEMBL815 | 3081 | 52 | None | -45 | 9 | Human | 6.1 | pEC50 | = | 6.1 | Functional | 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 | 19584306 | ||
DB12789 | 3081 | 52 | None | -45 | 9 | Human | 6.1 | pEC50 | = | 6.1 | Functional | 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 | 19584306 | ||
1895 | 2005 | 0 | None | -630 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | 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 | 22480736 | ||
6435378 | 2005 | 0 | None | -630 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | 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 | 22480736 | ||
CHEMBL236025 | 2005 | 0 | None | -630 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | 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 | 22480736 | ||
DB01088 | 2005 | 0 | None | -630 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | 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 | 22480736 | ||
2720 | 3852 | 59 | None | -60 | 5 | Human | 6.7 | pEC50 | = | 6.7 | Functional | Guide to Pharmacology | 390 | 10 | 3 | 4 | 3.6 | CCCCC[C@@H](CC[C@H]1[C@H](O)C[C@H]2[C@@H]1Cc1cccc(c1C2)OCC(=O)O)O | 22480736 | ||
5820 | 3852 | 59 | None | -60 | 5 | Human | 6.7 | pEC50 | = | 6.7 | Functional | Guide to Pharmacology | 390 | 10 | 3 | 4 | 3.6 | CCCCC[C@@H](CC[C@H]1[C@H](O)C[C@H]2[C@@H]1Cc1cccc(c1C2)OCC(=O)O)O | 22480736 | ||
6918140 | 3852 | 59 | None | -60 | 5 | Human | 6.7 | pEC50 | = | 6.7 | Functional | Guide to Pharmacology | 390 | 10 | 3 | 4 | 3.6 | CCCCC[C@@H](CC[C@H]1[C@H](O)C[C@H]2[C@@H]1Cc1cccc(c1C2)OCC(=O)O)O | 22480736 | ||
CHEMBL1237119 | 3852 | 59 | None | -60 | 5 | Human | 6.7 | pEC50 | = | 6.7 | Functional | Guide to Pharmacology | 390 | 10 | 3 | 4 | 3.6 | CCCCC[C@@H](CC[C@H]1[C@H](O)C[C@H]2[C@@H]1Cc1cccc(c1C2)OCC(=O)O)O | 22480736 | ||
DB00374 | 3852 | 59 | None | -60 | 5 | Human | 6.7 | pEC50 | = | 6.7 | Functional | Guide to Pharmacology | 390 | 10 | 3 | 4 | 3.6 | CCCCC[C@@H](CC[C@H]1[C@H](O)C[C@H]2[C@@H]1Cc1cccc(c1C2)OCC(=O)O)O | 22480736 | ||
1933 | 2941 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | Guide to Pharmacology | 468 | 14 | 3 | 7 | 2.9 | COCc1ccccc1CC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1SCCCSCC(=O)O)O | 18516068 | ||
1933 | 2941 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | Guide to Pharmacology | 468 | 14 | 3 | 7 | 2.9 | COCc1ccccc1CC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1SCCCSCC(=O)O)O | 21323896 | ||
5311230 | 2941 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | Guide to Pharmacology | 468 | 14 | 3 | 7 | 2.9 | COCc1ccccc1CC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1SCCCSCC(=O)O)O | 18516068 | ||
5311230 | 2941 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | Guide to Pharmacology | 468 | 14 | 3 | 7 | 2.9 | COCc1ccccc1CC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1SCCCSCC(=O)O)O | 21323896 | ||
1913 | 2462 | 0 | None | -32 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | 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 | 19584306 | ||
5311223 | 2462 | 0 | None | -32 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | 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 | 19584306 | ||
1881 | 3077 | 0 | None | 3 | 3 | Human | 8.8 | pEC50 | = | 8.8 | Functional | 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 | 19584306 | ||
1891 | 3077 | 0 | None | 3 | 3 | Human | 8.8 | pEC50 | = | 8.8 | Functional | 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 | 19584306 | ||
448457 | 3077 | 0 | None | 3 | 3 | Human | 8.8 | pEC50 | = | 8.8 | Functional | 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 | 19584306 | ||
CHEMBL1235252 | 3077 | 0 | None | 3 | 3 | Human | 8.8 | pEC50 | = | 8.8 | Functional | 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 | 19584306 | ||
DB02056 | 3077 | 0 | None | 3 | 3 | Human | 8.8 | pEC50 | = | 8.8 | Functional | 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 | 19584306 | ||
4039 | 1185 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | Guide to Pharmacology | 468 | 10 | 1 | 5 | 3.4 | O[C@@H](Cc1cccc(c1)C(F)(F)F)CC[C@H]1CCC(=O)N1CCCc1ccc(s1)C(=O)[O-] | 19445930 | ||
73755071 | 1185 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | Guide to Pharmacology | 468 | 10 | 1 | 5 | 3.4 | O[C@@H](Cc1cccc(c1)C(F)(F)F)CC[C@H]1CCC(=O)N1CCCc1ccc(s1)C(=O)[O-] | 19445930 | ||
11316084 | 2262 | 0 | None | - | 1 | Human | 9.2 | pEC50 | = | 9.2 | Functional | Guide to Pharmacology | 419 | 11 | 2 | 5 | 3.0 | O=C1CC[C@@H](N1CCCCCCc1nnn[nH]1)/C=C/[C@H](C(c1ccccc1)(F)F)O | 18516068 | ||
11316084 | 2262 | 0 | None | - | 1 | Human | 9.2 | pEC50 | = | 9.2 | Functional | Guide to Pharmacology | 419 | 11 | 2 | 5 | 3.0 | O=C1CC[C@@H](N1CCCCCCc1nnn[nH]1)/C=C/[C@H](C(c1ccccc1)(F)F)O | 19584306 | ||
3357 | 2262 | 0 | None | - | 1 | Human | 9.2 | pEC50 | = | 9.2 | Functional | Guide to Pharmacology | 419 | 11 | 2 | 5 | 3.0 | O=C1CC[C@@H](N1CCCCCCc1nnn[nH]1)/C=C/[C@H](C(c1ccccc1)(F)F)O | 18516068 | ||
3357 | 2262 | 0 | None | - | 1 | Human | 9.2 | pEC50 | = | 9.2 | Functional | Guide to Pharmacology | 419 | 11 | 2 | 5 | 3.0 | O=C1CC[C@@H](N1CCCCCCc1nnn[nH]1)/C=C/[C@H](C(c1ccccc1)(F)F)O | 19584306 | ||
CHEMBL1956373 | 2262 | 0 | None | - | 1 | Human | 9.2 | pEC50 | = | 9.2 | Functional | Guide to Pharmacology | 419 | 11 | 2 | 5 | 3.0 | O=C1CC[C@@H](N1CCCCCCc1nnn[nH]1)/C=C/[C@H](C(c1ccccc1)(F)F)O | 18516068 | ||
CHEMBL1956373 | 2262 | 0 | None | - | 1 | Human | 9.2 | pEC50 | = | 9.2 | Functional | Guide to Pharmacology | 419 | 11 | 2 | 5 | 3.0 | O=C1CC[C@@H](N1CCCCCCc1nnn[nH]1)/C=C/[C@H](C(c1ccccc1)(F)F)O | 19584306 | ||
1925 | 7 | 0 | None | - | 1 | Human | 9.3 | pEC50 | = | 9.3 | Functional | Guide to Pharmacology | 338 | 13 | 2 | 3 | 4.5 | CCCCC[C@@H](/C=C/[C@H]1CCC(=O)[C@@H]1CCCCCCC(=O)O)O | 19584306 | ||
5283055 | 7 | 0 | None | - | 1 | Human | 9.3 | pEC50 | = | 9.3 | Functional | Guide to Pharmacology | 338 | 13 | 2 | 3 | 4.5 | CCCCC[C@@H](/C=C/[C@H]1CCC(=O)[C@@H]1CCCCCCC(=O)O)O | 19584306 | ||
CHEMBL3246389 | 7 | 0 | None | - | 1 | Human | 9.3 | pEC50 | = | 9.3 | Functional | Guide to Pharmacology | 338 | 13 | 2 | 3 | 4.5 | CCCCC[C@@H](/C=C/[C@H]1CCC(=O)[C@@H]1CCCCCCC(=O)O)O | 19584306 | ||
138 | 3079 | 88 | None | 1 | 10 | Human | 9.5 | pEC50 | = | 9.5 | Functional | Guide to Pharmacology | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | 19584306 | ||
149351 | 3079 | 88 | None | 1 | 10 | Human | 9.5 | pEC50 | = | 9.5 | Functional | Guide to Pharmacology | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | 19584306 | ||
1882 | 3079 | 88 | None | 1 | 10 | Human | 9.5 | pEC50 | = | 9.5 | Functional | Guide to Pharmacology | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | 19584306 | ||
5280723 | 3079 | 88 | None | 1 | 10 | Human | 9.5 | pEC50 | = | 9.5 | Functional | Guide to Pharmacology | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | 19584306 | ||
CHEMBL495 | 3079 | 88 | None | 1 | 10 | Human | 9.5 | pEC50 | = | 9.5 | Functional | Guide to Pharmacology | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | 19584306 | ||
DB00770 | 3079 | 88 | None | 1 | 10 | Human | 9.5 | pEC50 | = | 9.5 | Functional | Guide to Pharmacology | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | 19584306 | ||
1883 | 3080 | 75 | None | -1 | 12 | Rat | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | None | ||
1916 | 3080 | 75 | None | -1 | 12 | Rat | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | None | ||
5280360 | 3080 | 75 | None | -1 | 12 | Rat | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | None | ||
913 | 3080 | 75 | None | -1 | 12 | Rat | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | None | ||
CHEMBL548 | 3080 | 75 | None | -1 | 12 | Rat | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | None | ||
DB00917 | 3080 | 75 | None | -1 | 12 | Rat | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | None | ||
12017 | 1102 | 0 | None | 5 | 2 | Human | 8.3 | pIC50 | = | 8.3 | Functional | Guide to Pharmacology | 425 | 6 | 2 | 4 | 4.2 | O=C(NCc1ccc(C(=O)O)cc1)c1c(Cc2ccc(F)cc2)sc2c1CCOC2 | 35640059 | ||
138670561 | 1102 | 0 | None | 5 | 2 | Human | 8.3 | pIC50 | = | 8.3 | Functional | Guide to Pharmacology | 425 | 6 | 2 | 4 | 4.2 | O=C(NCc1ccc(C(=O)O)cc1)c1c(Cc2ccc(F)cc2)sc2c1CCOC2 | 35640059 | ||
CHEMBL5186525 | 1102 | 0 | None | 5 | 2 | Human | 8.3 | pIC50 | = | 8.3 | Functional | Guide to Pharmacology | 425 | 6 | 2 | 4 | 4.2 | O=C(NCc1ccc(C(=O)O)cc1)c1c(Cc2ccc(F)cc2)sc2c1CCOC2 | 35640059 | ||
5860 | 3799 | 0 | None | - | 1 | Rat | 5.5 | pIC50 | = | 5.5 | Functional | Guide to Pharmacology | None | None | None | None | 23152113 | ||||
4040 | 1577 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | Guide to Pharmacology | 489 | 5 | 0 | 4 | 5.6 | CCN1C(=O)N2C(=C[C@@H](c3c(C2)cc(OC)cc3OC)C)C21CCN(CC2)Cc1cc(C)cc(c1)C | 20423341 | ||
42596951 | 1577 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | Guide to Pharmacology | 489 | 5 | 0 | 4 | 5.6 | CCN1C(=O)N2C(=C[C@@H](c3c(C2)cc(OC)cc3OC)C)C21CCN(CC2)Cc1cc(C)cc(c1)C | 20423341 | ||
12783 | 578 | 24 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | Guide to Pharmacology | 441 | 6 | 1 | 5 | 5.8 | O=C(O)C1=CC=C2N(CCOC)C(C3=CC=C4N(CC)C=5C=CC(=CC5C4=C3)C)=NC2=C1C | 30707023 | ||
90202558 | 578 | 24 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | Guide to Pharmacology | 441 | 6 | 1 | 5 | 5.8 | O=C(O)C1=CC=C2N(CCOC)C(C3=CC=C4N(CC)C=5C=CC(=CC5C4=C3)C)=NC2=C1C | 30707023 | ||
CHEMBL4526403 | 578 | 24 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | Guide to Pharmacology | 441 | 6 | 1 | 5 | 5.8 | O=C(O)C1=CC=C2N(CCOC)C(C3=CC=C4N(CC)C=5C=CC(=CC5C4=C3)C)=NC2=C1C | 30707023 | ||
4039 | 1185 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | Guide to Pharmacology | 468 | 10 | 1 | 5 | 3.4 | O[C@@H](Cc1cccc(c1)C(F)(F)F)CC[C@H]1CCC(=O)N1CCCc1ccc(s1)C(=O)[O-] | 19445930 | ||
73755071 | 1185 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | Guide to Pharmacology | 468 | 10 | 1 | 5 | 3.4 | O[C@@H](Cc1cccc(c1)C(F)(F)F)CC[C@H]1CCC(=O)N1CCCc1ccc(s1)C(=O)[O-] | 19445930 | ||
10603 | 3790 | 0 | None | -537 | 3 | Human | 5.3 | pKB | = | 5.3 | Functional | Guide to Pharmacology | 400 | 6 | 3 | 5 | 4.0 | Cc1cc(Nc2ncc(cn2)C(=O)NCCc2c(C)[nH]c3c2cccc3)nc(c1)C | 31904232 | ||
145996528 | 3790 | 0 | None | -537 | 3 | Human | 5.3 | pKB | = | 5.3 | Functional | Guide to Pharmacology | 400 | 6 | 3 | 5 | 4.0 | Cc1cc(Nc2ncc(cn2)C(=O)NCCc2c(C)[nH]c3c2cccc3)nc(c1)C | 31904232 | ||
CHEMBL4552900 | 3790 | 0 | None | -537 | 3 | Human | 5.3 | pKB | = | 5.3 | Functional | Guide to Pharmacology | 400 | 6 | 3 | 5 | 4.0 | Cc1cc(Nc2ncc(cn2)C(=O)NCCc2c(C)[nH]c3c2cccc3)nc(c1)C | 31904232 | ||
1987175 | 3792 | 31 | None | -33 | 5 | Human | 5.4 | pKB | = | 5.4 | Functional | Guide to Pharmacology | 491 | 7 | 3 | 7 | 3.6 | CCc1nnc(s1)NS(=O)(=O)c1ccc(cc1)NC(=S)NC(=O)/C=C/c1ccc(cc1)F | 23914286 | ||
9283 | 3792 | 31 | None | -33 | 5 | Human | 5.4 | pKB | = | 5.4 | Functional | Guide to Pharmacology | 491 | 7 | 3 | 7 | 3.6 | CCc1nnc(s1)NS(=O)(=O)c1ccc(cc1)NC(=S)NC(=O)/C=C/c1ccc(cc1)F | 23914286 | ||
CHEMBL1372836 | 3792 | 31 | None | -33 | 5 | Human | 5.4 | pKB | = | 5.4 | Functional | Guide to Pharmacology | 491 | 7 | 3 | 7 | 3.6 | CCc1nnc(s1)NS(=O)(=O)c1ccc(cc1)NC(=S)NC(=O)/C=C/c1ccc(cc1)F | 23914286 |
Ligands (move mouse cursor over ligand name to see structure) | Receptor | Activity | Chemical information | |||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Sel. page | Similar- ity |
Common name |
GPCRdb ID |
Vendors |
Reference ligand |
Fold selectivity |
Tested GPCRs |
Species |
p-value (-log) |
Activity Type |
Activity Relation |
Activity Value |
Assay Type |
Assay Description |
Source |
Mol weight |
Rot Bonds |
H don |
H acc |
LogP |
Smiles |
DOI |
72950260 | 151157 | 0 | None | - | 1 | Human | 11.0 | pEC50 | = | 11 | Binding | ChEMBL | 437 | 14 | 2 | 3 | 4.6 | O=C(O)CCCCCCN1C(=O)C(F)(F)C[C@@H]1/C=C/[C@@H](O)CCCCc1ccccc1 | nan | |||
CHEMBL3959605 | 151157 | 0 | None | - | 1 | Human | 11.0 | pEC50 | = | 11 | Binding | ChEMBL | 437 | 14 | 2 | 3 | 4.6 | O=C(O)CCCCCCN1C(=O)C(F)(F)C[C@@H]1/C=C/[C@@H](O)CCCCc1ccccc1 | nan | |||
72950425 | 143048 | 0 | None | - | 1 | Human | 10.5 | pEC50 | = | 10.5 | Binding | ChEMBL | 419 | 8 | 2 | 3 | 3.5 | CCC#CC[C@H](C)[C@H](O)/C=C/[C@H]1CC(F)(F)C(=O)N1CCc1ccc(C(=O)O)cc1 | nan | |||
CHEMBL3895047 | 143048 | 0 | None | - | 1 | Human | 10.5 | pEC50 | = | 10.5 | Binding | ChEMBL | 419 | 8 | 2 | 3 | 3.5 | CCC#CC[C@H](C)[C@H](O)/C=C/[C@H]1CC(F)(F)C(=O)N1CCc1ccc(C(=O)O)cc1 | nan | |||
12521 | 2195 | 0 | None | -1 | 4 | Human | 10.4 | pEC50 | = | 10.4 | Binding | ChEMBL | 399 | 11 | 2 | 3 | 3.6 | FC1(C(N([C@H](C1)/C=C/[C@H]([C@H](CC#CCC)C)O)CCCCCCC(=O)O)=O)F | nan | |||
72722131 | 2195 | 0 | None | -1 | 4 | Human | 10.4 | pEC50 | = | 10.4 | Binding | ChEMBL | 399 | 11 | 2 | 3 | 3.6 | FC1(C(N([C@H](C1)/C=C/[C@H]([C@H](CC#CCC)C)O)CCCCCCC(=O)O)=O)F | nan | |||
CHEMBL3918816 | 2195 | 0 | None | -1 | 4 | Human | 10.4 | pEC50 | = | 10.4 | Binding | ChEMBL | 399 | 11 | 2 | 3 | 3.6 | FC1(C(N([C@H](C1)/C=C/[C@H]([C@H](CC#CCC)C)O)CCCCCCC(=O)O)=O)F | nan | |||
5283086 | 203308 | 24 | None | 21 | 5 | Human | 10.3 | pEC50 | = | 10.3 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O | nan | |||
CHEMBL64804 | 203308 | 24 | None | 21 | 5 | Human | 10.3 | pEC50 | = | 10.3 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O | nan | |||
72950089 | 150589 | 0 | None | 1621 | 3 | Human | 10.2 | pEC50 | = | 10.2 | Binding | ChEMBL | 375 | 13 | 2 | 3 | 3.8 | CCCCC[C@H](O)/C=C/[C@H]1CC(F)(F)C(=O)N1CCCCCCC(=O)O | nan | |||
CHEMBL3955128 | 150589 | 0 | None | 1621 | 3 | Human | 10.2 | pEC50 | = | 10.2 | Binding | ChEMBL | 375 | 13 | 2 | 3 | 3.8 | CCCCC[C@H](O)/C=C/[C@H]1CC(F)(F)C(=O)N1CCCCCCC(=O)O | nan | |||
72949200 | 153775 | 0 | None | - | 1 | Human | 10.2 | pEC50 | = | 10.2 | Binding | ChEMBL | 385 | 11 | 2 | 3 | 3.2 | CC#CC[C@H](C)[C@H](O)/C=C/[C@H]1CC(F)(F)C(=O)N1CCCCCCC(=O)O | nan | |||
CHEMBL3982139 | 153775 | 0 | None | - | 1 | Human | 10.2 | pEC50 | = | 10.2 | Binding | ChEMBL | 385 | 11 | 2 | 3 | 3.2 | CC#CC[C@H](C)[C@H](O)/C=C/[C@H]1CC(F)(F)C(=O)N1CCCCCCC(=O)O | nan | |||
72948663 | 145732 | 0 | None | - | 1 | Human | 10.2 | pEC50 | = | 10.2 | Binding | ChEMBL | 415 | 11 | 2 | 4 | 4.1 | CCCCC[C@H](O)/C=C/[C@H]1CC(F)(F)C(=O)N1CCCc1ccc(C(=O)O)s1 | nan | |||
CHEMBL3916499 | 145732 | 0 | None | - | 1 | Human | 10.2 | pEC50 | = | 10.2 | Binding | ChEMBL | 415 | 11 | 2 | 4 | 4.1 | CCCCC[C@H](O)/C=C/[C@H]1CC(F)(F)C(=O)N1CCCc1ccc(C(=O)O)s1 | nan | |||
72950929 | 146580 | 0 | None | - | 1 | Human | 10.1 | pEC50 | = | 10.1 | Binding | ChEMBL | 395 | 10 | 2 | 3 | 3.7 | CCCCC[C@H](O)/C=C/[C@H]1CC(F)(F)C(=O)N1CCc1ccc(C(=O)O)cc1 | nan | |||
CHEMBL3923027 | 146580 | 0 | None | - | 1 | Human | 10.1 | pEC50 | = | 10.1 | Binding | ChEMBL | 395 | 10 | 2 | 3 | 3.7 | CCCCC[C@H](O)/C=C/[C@H]1CC(F)(F)C(=O)N1CCc1ccc(C(=O)O)cc1 | nan | |||
9807398 | 151296 | 0 | None | - | 0 | Human | 10.0 | pEC50 | = | 10 | Binding | ChEMBL | 542 | 12 | 3 | 7 | 5.3 | CC1(C)C(=O)[C@H](SCCCSCC(=O)O)[C@@H](/C=C/C(O)CCc2sc3ccccc3c2Cl)[C@@H]1O | nan | |||
CHEMBL3960625 | 151296 | 0 | None | - | 0 | Human | 10.0 | pEC50 | = | 10 | Binding | ChEMBL | 542 | 12 | 3 | 7 | 5.3 | CC1(C)C(=O)[C@H](SCCCSCC(=O)O)[C@@H](/C=C/C(O)CCc2sc3ccccc3c2Cl)[C@@H]1O | nan | |||
72948294 | 149955 | 0 | None | - | 1 | Human | 10.0 | pEC50 | = | 10.0 | Binding | ChEMBL | 439 | 9 | 2 | 4 | 4.0 | CCC#CC[C@H](C)[C@H](O)/C=C/[C@H]1CC(F)(F)C(=O)N1CCCc1ccc(C(=O)O)s1 | nan | |||
CHEMBL3949856 | 149955 | 0 | None | - | 1 | Human | 10.0 | pEC50 | = | 10.0 | Binding | ChEMBL | 439 | 9 | 2 | 4 | 4.0 | CCC#CC[C@H](C)[C@H](O)/C=C/[C@H]1CC(F)(F)C(=O)N1CCCc1ccc(C(=O)O)s1 | nan | |||
10339756 | 143083 | 0 | None | - | 0 | Human | 9.7 | pEC50 | = | 9.7 | Binding | ChEMBL | 380 | 12 | 3 | 4 | 3.9 | CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C(C)(C)C(=O)[C@@H]1C/C=C\CCCC(=O)O | nan | |||
CHEMBL3895324 | 143083 | 0 | None | - | 0 | Human | 9.7 | pEC50 | = | 9.7 | Binding | ChEMBL | 380 | 12 | 3 | 4 | 3.9 | CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C(C)(C)C(=O)[C@@H]1C/C=C\CCCC(=O)O | nan | |||
10479215 | 146459 | 0 | None | - | 0 | Human | 9.5 | pEC50 | = | 9.5 | Binding | ChEMBL | 456 | 10 | 3 | 5 | 4.8 | CC1(C)C(=O)[C@H](C/C=C\CCCC(=O)O)[C@@H](/C=C/C(O)Cc2cc3ccccc3s2)[C@@H]1O | nan | |||
CHEMBL3922155 | 146459 | 0 | None | - | 0 | Human | 9.5 | pEC50 | = | 9.5 | Binding | ChEMBL | 456 | 10 | 3 | 5 | 4.8 | CC1(C)C(=O)[C@H](C/C=C\CCCC(=O)O)[C@@H](/C=C/C(O)Cc2cc3ccccc3s2)[C@@H]1O | nan | |||
10006340 | 150640 | 0 | None | - | 0 | Human | 9.5 | pEC50 | = | 9.5 | Binding | ChEMBL | 504 | 11 | 3 | 5 | 5.8 | CC1(C)C(=O)[C@H](C/C=C\CCCC(=O)O)[C@@H](/C=C/C(O)CCc2sc3ccccc3c2Cl)[C@@H]1O | nan | |||
CHEMBL3955476 | 150640 | 0 | None | - | 0 | Human | 9.5 | pEC50 | = | 9.5 | Binding | ChEMBL | 504 | 11 | 3 | 5 | 5.8 | CC1(C)C(=O)[C@H](C/C=C\CCCC(=O)O)[C@@H](/C=C/C(O)CCc2sc3ccccc3c2Cl)[C@@H]1O | nan | |||
10046549 | 151733 | 0 | None | - | 0 | Human | 9.4 | pEC50 | = | 9.4 | Binding | ChEMBL | 400 | 10 | 3 | 4 | 3.6 | CC1(C)C(=O)[C@H](C/C=C\CCCC(=O)O)[C@@H](/C=C/C(O)Cc2ccccc2)[C@@H]1O | nan | |||
CHEMBL3964563 | 151733 | 0 | None | - | 0 | Human | 9.4 | pEC50 | = | 9.4 | Binding | ChEMBL | 400 | 10 | 3 | 4 | 3.6 | CC1(C)C(=O)[C@H](C/C=C\CCCC(=O)O)[C@@H](/C=C/C(O)Cc2ccccc2)[C@@H]1O | nan | |||
11362836 | 137294 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 446 | 12 | 2 | 7 | 3.8 | CC(C)(CCCCF)[C@H](O)/C=C/[C@H]1COC(=O)N1CCSc1nc(C(=O)O)cs1 | 10.1016/j.bmcl.2015.12.039 | |||
CHEMBL3752406 | 137294 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 446 | 12 | 2 | 7 | 3.8 | CC(C)(CCCCF)[C@H](O)/C=C/[C@H]1COC(=O)N1CCSc1nc(C(=O)O)cs1 | 10.1016/j.bmcl.2015.12.039 | |||
10369368 | 153435 | 0 | None | - | 0 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 518 | 11 | 2 | 6 | 5.9 | COC(=O)CCC/C=C\C[C@H]1C(=O)C(C)(C)[C@@H](O)[C@@H]1/C=C/C(O)CCc1sc2ccccc2c1Cl | nan | |||
CHEMBL3979233 | 153435 | 0 | None | - | 0 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 518 | 11 | 2 | 6 | 5.9 | COC(=O)CCC/C=C\C[C@H]1C(=O)C(C)(C)[C@@H](O)[C@@H]1/C=C/C(O)CCc1sc2ccccc2c1Cl | nan | |||
10409554 | 149519 | 0 | None | - | 0 | Human | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | 414 | 11 | 3 | 4 | 3.9 | CC1(C)C(=O)[C@H](C/C=C\CCCC(=O)O)[C@@H](/C=C/C(O)CCc2ccccc2)[C@@H]1O | nan | |||
CHEMBL3946494 | 149519 | 0 | None | - | 0 | Human | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | 414 | 11 | 3 | 4 | 3.9 | CC1(C)C(=O)[C@H](C/C=C\CCCC(=O)O)[C@@H](/C=C/C(O)CCc2ccccc2)[C@@H]1O | nan | |||
11294085 | 137250 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 458 | 12 | 2 | 7 | 4.0 | O=C(O)c1csc(SCCN2C(=O)OC[C@@H]2/C=C/[C@@H](O)C2(CCCCF)CCC2)n1 | 10.1016/j.bmcl.2015.12.039 | |||
CHEMBL3751951 | 137250 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 458 | 12 | 2 | 7 | 4.0 | O=C(O)c1csc(SCCN2C(=O)OC[C@@H]2/C=C/[C@@H](O)C2(CCCCF)CCC2)n1 | 10.1016/j.bmcl.2015.12.039 | |||
66857670 | 137399 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 436 | 9 | 2 | 7 | 3.3 | CC#CCC1([C@H](O)/C=C/[C@H]2COC(=O)N2CCSc2nc(C(=O)O)cs2)CCC1 | 10.1016/j.bmcl.2015.12.039 | |||
CHEMBL3753268 | 137399 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 436 | 9 | 2 | 7 | 3.3 | CC#CCC1([C@H](O)/C=C/[C@H]2COC(=O)N2CCSc2nc(C(=O)O)cs2)CCC1 | 10.1016/j.bmcl.2015.12.039 | |||
10369368 | 153435 | 0 | None | - | 0 | Human | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 518 | 11 | 2 | 6 | 5.9 | COC(=O)CCC/C=C\C[C@H]1C(=O)C(C)(C)[C@@H](O)[C@@H]1/C=C/C(O)CCc1sc2ccccc2c1Cl | nan | |||
CHEMBL3979233 | 153435 | 0 | None | - | 0 | Human | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 518 | 11 | 2 | 6 | 5.9 | COC(=O)CCC/C=C\C[C@H]1C(=O)C(C)(C)[C@@H](O)[C@@H]1/C=C/C(O)CCc1sc2ccccc2c1Cl | nan | |||
127037150 | 137558 | 0 | None | - | 0 | Human | 8.5 | pEC50 | = | 8.5 | Binding | ChEMBL | 426 | 12 | 2 | 6 | 4.1 | CCCC[C@H](C)C[C@H](O)/C=C/[C@H]1CCC(=O)N1CCSc1nc(C(=O)O)cs1 | 10.1016/j.bmcl.2015.12.039 | |||
CHEMBL3754586 | 137558 | 0 | None | - | 0 | Human | 8.5 | pEC50 | = | 8.5 | Binding | ChEMBL | 426 | 12 | 2 | 6 | 4.1 | CCCC[C@H](C)C[C@H](O)/C=C/[C@H]1CCC(=O)N1CCSc1nc(C(=O)O)cs1 | 10.1016/j.bmcl.2015.12.039 | |||
11961366 | 150470 | 0 | None | - | 0 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 556 | 12 | 2 | 8 | 5.4 | COC(=O)CSCCCS[C@H]1C(=O)C(C)(C)[C@@H](O)[C@@H]1/C=C/C(O)CCc1sc2ccccc2c1Cl | nan | |||
CHEMBL3954286 | 150470 | 0 | None | - | 0 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 556 | 12 | 2 | 8 | 5.4 | COC(=O)CSCCCS[C@H]1C(=O)C(C)(C)[C@@H](O)[C@@H]1/C=C/C(O)CCc1sc2ccccc2c1Cl | nan | |||
10432730 | 147267 | 0 | None | - | 0 | Human | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | 428 | 11 | 2 | 5 | 4.0 | COC(=O)CCC/C=C\C[C@H]1C(=O)C(C)(C)[C@@H](O)[C@@H]1/C=C/C(O)CCc1ccccc1 | nan | |||
CHEMBL3928703 | 147267 | 0 | None | - | 0 | Human | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | 428 | 11 | 2 | 5 | 4.0 | COC(=O)CCC/C=C\C[C@H]1C(=O)C(C)(C)[C@@H](O)[C@@H]1/C=C/C(O)CCc1ccccc1 | nan | |||
10029056 | 149996 | 0 | None | - | 0 | Human | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 502 | 9 | 3 | 5 | 5.3 | CC1(C)C(=O)[C@H](CC#CCCCC(=O)O)[C@@H](/C=C\C(O)CCc2sc3ccccc3c2Cl)[C@@H]1O | nan | |||
CHEMBL3950189 | 149996 | 0 | None | - | 0 | Human | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 502 | 9 | 3 | 5 | 5.3 | CC1(C)C(=O)[C@H](CC#CCCCC(=O)O)[C@@H](/C=C\C(O)CCc2sc3ccccc3c2Cl)[C@@H]1O | nan | |||
59554824 | 137473 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 428 | 11 | 2 | 7 | 3.9 | CCCCC(C)(C)[C@H](O)/C=C/[C@H]1COC(=O)N1CCSc1nc(C(=O)O)cs1 | 10.1016/j.bmcl.2015.12.039 | |||
CHEMBL3753853 | 137473 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 428 | 11 | 2 | 7 | 3.9 | CCCCC(C)(C)[C@H](O)/C=C/[C@H]1COC(=O)N1CCSc1nc(C(=O)O)cs1 | 10.1016/j.bmcl.2015.12.039 | |||
10479215 | 146459 | 0 | None | - | 0 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 456 | 10 | 3 | 5 | 4.8 | CC1(C)C(=O)[C@H](C/C=C\CCCC(=O)O)[C@@H](/C=C/C(O)Cc2cc3ccccc3s2)[C@@H]1O | nan | |||
CHEMBL3922155 | 146459 | 0 | None | - | 0 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 456 | 10 | 3 | 5 | 4.8 | CC1(C)C(=O)[C@H](C/C=C\CCCC(=O)O)[C@@H](/C=C/C(O)Cc2cc3ccccc3s2)[C@@H]1O | nan | |||
59554827 | 137291 | 0 | None | - | 0 | Human | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | 426 | 11 | 2 | 6 | 4.1 | CCCCC(C)(C)[C@H](O)/C=C/[C@H]1CCC(=O)N1CCSc1nc(C(=O)O)cs1 | 10.1016/j.bmcl.2015.12.039 | |||
CHEMBL3752377 | 137291 | 0 | None | - | 0 | Human | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | 426 | 11 | 2 | 6 | 4.1 | CCCCC(C)(C)[C@H](O)/C=C/[C@H]1CCC(=O)N1CCSc1nc(C(=O)O)cs1 | 10.1016/j.bmcl.2015.12.039 | |||
66858111 | 137449 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 488 | 11 | 2 | 7 | 4.5 | O=C(O)c1csc(SCCN2C(=O)OC[C@@H]2/C=C/[C@@H](O)C2(CCc3ccccc3)CCC2)n1 | 10.1016/j.bmcl.2015.12.039 | |||
CHEMBL3753622 | 137449 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 488 | 11 | 2 | 7 | 4.5 | O=C(O)c1csc(SCCN2C(=O)OC[C@@H]2/C=C/[C@@H](O)C2(CCc3ccccc3)CCC2)n1 | 10.1016/j.bmcl.2015.12.039 | |||
66857738 | 137298 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Binding | ChEMBL | 468 | 10 | 2 | 7 | 4.7 | CC(C)(C)CCC1([C@H](O)/C=C/[C@H]2COC(=O)N2CCSc2nc(C(=O)O)cs2)CCC1 | 10.1016/j.bmcl.2015.12.039 | |||
CHEMBL3752435 | 137298 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Binding | ChEMBL | 468 | 10 | 2 | 7 | 4.7 | CC(C)(C)CCC1([C@H](O)/C=C/[C@H]2COC(=O)N2CCSc2nc(C(=O)O)cs2)CCC1 | 10.1016/j.bmcl.2015.12.039 | |||
10023570 | 153334 | 0 | None | - | 0 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 394 | 12 | 2 | 5 | 4.0 | CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C(C)(C)C(=O)[C@@H]1C/C=C\CCCC(=O)OC | nan | |||
CHEMBL3978305 | 153334 | 0 | None | - | 0 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 394 | 12 | 2 | 5 | 4.0 | CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C(C)(C)C(=O)[C@@H]1C/C=C\CCCC(=O)OC | nan | |||
118689427 | 151850 | 0 | None | - | 0 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 519 | 10 | 2 | 6 | 3.8 | O=C(O)c1ccc(CCCN2[C@@H](/C=C/C(O)Cc3cccc(OC(F)(F)F)c3)CCS2(=O)=O)s1 | nan | |||
CHEMBL3965497 | 151850 | 0 | None | - | 0 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 519 | 10 | 2 | 6 | 3.8 | O=C(O)c1ccc(CCCN2[C@@H](/C=C/C(O)Cc3cccc(OC(F)(F)F)c3)CCS2(=O)=O)s1 | nan | |||
10409554 | 149519 | 0 | None | - | 0 | Human | 8.2 | pEC50 | = | 8.2 | Binding | ChEMBL | 414 | 11 | 3 | 4 | 3.9 | CC1(C)C(=O)[C@H](C/C=C\CCCC(=O)O)[C@@H](/C=C/C(O)CCc2ccccc2)[C@@H]1O | nan | |||
CHEMBL3946494 | 149519 | 0 | None | - | 0 | Human | 8.2 | pEC50 | = | 8.2 | Binding | ChEMBL | 414 | 11 | 3 | 4 | 3.9 | CC1(C)C(=O)[C@H](C/C=C\CCCC(=O)O)[C@@H](/C=C/C(O)CCc2ccccc2)[C@@H]1O | nan | |||
10045223 | 151965 | 0 | None | - | 0 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 378 | 10 | 3 | 4 | 3.3 | CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C(C)(C)C(=O)[C@@H]1CC#CCCCC(=O)O | nan | |||
CHEMBL3966610 | 151965 | 0 | None | - | 0 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 378 | 10 | 3 | 4 | 3.3 | CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C(C)(C)C(=O)[C@@H]1CC#CCCCC(=O)O | nan | |||
10029056 | 149996 | 0 | None | - | 0 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 502 | 9 | 3 | 5 | 5.3 | CC1(C)C(=O)[C@H](CC#CCCCC(=O)O)[C@@H](/C=C\C(O)CCc2sc3ccccc3c2Cl)[C@@H]1O | nan | |||
CHEMBL3950189 | 149996 | 0 | None | - | 0 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 502 | 9 | 3 | 5 | 5.3 | CC1(C)C(=O)[C@H](CC#CCCCC(=O)O)[C@@H](/C=C\C(O)CCc2sc3ccccc3c2Cl)[C@@H]1O | nan | |||
11328569 | 137466 | 0 | None | - | 0 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 456 | 12 | 2 | 8 | 3.3 | COCCCC1([C@H](O)/C=C/[C@H]2COC(=O)N2CCSc2nc(C(=O)O)cs2)CCC1 | 10.1016/j.bmcl.2015.12.039 | |||
CHEMBL3753788 | 137466 | 0 | None | - | 0 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 456 | 12 | 2 | 8 | 3.3 | COCCCC1([C@H](O)/C=C/[C@H]2COC(=O)N2CCSc2nc(C(=O)O)cs2)CCC1 | 10.1016/j.bmcl.2015.12.039 | |||
59554822 | 137392 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 440 | 11 | 2 | 7 | 4.0 | CCCCC1([C@H](O)/C=C/[C@H]2COC(=O)N2CCSc2nc(C(=O)O)cs2)CCC1 | 10.1016/j.bmcl.2015.12.039 | |||
CHEMBL3753221 | 137392 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 440 | 11 | 2 | 7 | 4.0 | CCCCC1([C@H](O)/C=C/[C@H]2COC(=O)N2CCSc2nc(C(=O)O)cs2)CCC1 | 10.1016/j.bmcl.2015.12.039 | |||
127026652 | 137480 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 456 | 12 | 2 | 8 | 3.3 | CCOCCC1([C@H](O)/C=C/[C@H]2COC(=O)N2CCSc2nc(C(=O)O)cs2)CCC1 | 10.1016/j.bmcl.2015.12.039 | |||
CHEMBL3753898 | 137480 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 456 | 12 | 2 | 8 | 3.3 | CCOCCC1([C@H](O)/C=C/[C@H]2COC(=O)N2CCSc2nc(C(=O)O)cs2)CCC1 | 10.1016/j.bmcl.2015.12.039 | |||
11156167 | 137518 | 0 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Binding | ChEMBL | 494 | 11 | 2 | 7 | 5.2 | O=C(O)c1csc(SCCN2C(=O)OC[C@@H]2/C=C/[C@@H](O)C2(CCC3CCCCC3)CCC2)n1 | 10.1016/j.bmcl.2015.12.039 | |||
CHEMBL3754197 | 137518 | 0 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Binding | ChEMBL | 494 | 11 | 2 | 7 | 5.2 | O=C(O)c1csc(SCCN2C(=O)OC[C@@H]2/C=C/[C@@H](O)C2(CCC3CCCCC3)CCC2)n1 | 10.1016/j.bmcl.2015.12.039 | |||
72950929 | 146580 | 0 | None | - | 1 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 395 | 10 | 2 | 3 | 3.7 | CCCCC[C@H](O)/C=C/[C@H]1CC(F)(F)C(=O)N1CCc1ccc(C(=O)O)cc1 | nan | |||
CHEMBL3923027 | 146580 | 0 | None | - | 1 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 395 | 10 | 2 | 3 | 3.7 | CCCCC[C@H](O)/C=C/[C@H]1CC(F)(F)C(=O)N1CCc1ccc(C(=O)O)cc1 | nan | |||
72948663 | 145732 | 0 | None | - | 1 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 415 | 11 | 2 | 4 | 4.1 | CCCCC[C@H](O)/C=C/[C@H]1CC(F)(F)C(=O)N1CCCc1ccc(C(=O)O)s1 | nan | |||
CHEMBL3916499 | 145732 | 0 | None | - | 1 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 415 | 11 | 2 | 4 | 4.1 | CCCCC[C@H](O)/C=C/[C@H]1CC(F)(F)C(=O)N1CCCc1ccc(C(=O)O)s1 | nan | |||
72950425 | 143048 | 0 | None | - | 1 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 419 | 8 | 2 | 3 | 3.5 | CCC#CC[C@H](C)[C@H](O)/C=C/[C@H]1CC(F)(F)C(=O)N1CCc1ccc(C(=O)O)cc1 | nan | |||
CHEMBL3895047 | 143048 | 0 | None | - | 1 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 419 | 8 | 2 | 3 | 3.5 | CCC#CC[C@H](C)[C@H](O)/C=C/[C@H]1CC(F)(F)C(=O)N1CCc1ccc(C(=O)O)cc1 | nan | |||
5283086 | 203308 | 24 | None | 21 | 5 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O | nan | |||
CHEMBL64804 | 203308 | 24 | None | 21 | 5 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O | nan | |||
146014480 | 173712 | 16 | None | - | 1 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 458 | 7 | 2 | 5 | 4.6 | C/C=C/c1nnn(Cc2ccc(C(F)(F)F)cc2)c1C(=O)N[C@@H](C)c1ccc(C(=O)O)cc1 | 10.1021/acs.jmedchem.9b01269 | |||
CHEMBL4535971 | 173712 | 16 | None | - | 1 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 458 | 7 | 2 | 5 | 4.6 | C/C=C/c1nnn(Cc2ccc(C(F)(F)F)cc2)c1C(=O)N[C@@H](C)c1ccc(C(=O)O)cc1 | 10.1021/acs.jmedchem.9b01269 | |||
1883 | 3080 | 75 | None | -1 | 24 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.ejmech.2013.01.044 | |||
1916 | 3080 | 75 | None | -1 | 24 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.ejmech.2013.01.044 | |||
5280360 | 3080 | 75 | None | -1 | 24 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.ejmech.2013.01.044 | |||
913 | 3080 | 75 | None | -1 | 24 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.ejmech.2013.01.044 | |||
CHEMBL548 | 3080 | 75 | None | -1 | 24 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.ejmech.2013.01.044 | |||
DB00917 | 3080 | 75 | None | -1 | 24 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.ejmech.2013.01.044 | |||
1883 | 3080 | 75 | None | -1 | 24 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.bmc.2016.11.014 | |||
1916 | 3080 | 75 | None | -1 | 24 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.bmc.2016.11.014 | |||
5280360 | 3080 | 75 | None | -1 | 24 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.bmc.2016.11.014 | |||
913 | 3080 | 75 | None | -1 | 24 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.bmc.2016.11.014 | |||
CHEMBL548 | 3080 | 75 | None | -1 | 24 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.bmc.2016.11.014 | |||
DB00917 | 3080 | 75 | None | -1 | 24 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.bmc.2016.11.014 | |||
72950089 | 150589 | 0 | None | 1621 | 3 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 375 | 13 | 2 | 3 | 3.8 | CCCCC[C@H](O)/C=C/[C@H]1CC(F)(F)C(=O)N1CCCCCCC(=O)O | nan | |||
CHEMBL3955128 | 150589 | 0 | None | 1621 | 3 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 375 | 13 | 2 | 3 | 3.8 | CCCCC[C@H](O)/C=C/[C@H]1CC(F)(F)C(=O)N1CCCCCCC(=O)O | nan | |||
1883 | 3080 | 75 | None | -1 | 24 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/s0960-894x(03)00042-8 | |||
1916 | 3080 | 75 | None | -1 | 24 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/s0960-894x(03)00042-8 | |||
5280360 | 3080 | 75 | None | -1 | 24 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/s0960-894x(03)00042-8 | |||
913 | 3080 | 75 | None | -1 | 24 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/s0960-894x(03)00042-8 | |||
CHEMBL548 | 3080 | 75 | None | -1 | 24 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/s0960-894x(03)00042-8 | |||
DB00917 | 3080 | 75 | None | -1 | 24 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/s0960-894x(03)00042-8 | |||
72948479 | 153031 | 0 | None | - | 1 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 491 | 12 | 2 | 4 | 5.2 | C[C@@H](CCCc1ccccc1)[C@H](O)/C=C/[C@H]1CC(F)(F)C(=O)N1CCCc1ccc(C(=O)O)s1 | nan | |||
CHEMBL3975743 | 153031 | 0 | None | - | 1 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 491 | 12 | 2 | 4 | 5.2 | C[C@@H](CCCc1ccccc1)[C@H](O)/C=C/[C@H]1CC(F)(F)C(=O)N1CCCc1ccc(C(=O)O)s1 | nan | |||
44409738 | 139604 | 0 | None | - | 0 | Rat | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 435 | 10 | 2 | 4 | 4.4 | O=C(O)c1ccc(CCCN2C(=O)CC[C@@H]2CC[C@@H](O)Cc2cccc(Cl)c2)s1 | 10.1016/j.bmcl.2006.01.018 | |||
CHEMBL379746 | 139604 | 0 | None | - | 0 | Rat | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 435 | 10 | 2 | 4 | 4.4 | O=C(O)c1ccc(CCCN2C(=O)CC[C@@H]2CC[C@@H](O)Cc2cccc(Cl)c2)s1 | 10.1016/j.bmcl.2006.01.018 | |||
1883 | 3080 | 75 | None | -1 | 24 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.bmcl.2013.01.025 | |||
1916 | 3080 | 75 | None | -1 | 24 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.bmcl.2013.01.025 | |||
5280360 | 3080 | 75 | None | -1 | 24 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.bmcl.2013.01.025 | |||
913 | 3080 | 75 | None | -1 | 24 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.bmcl.2013.01.025 | |||
CHEMBL548 | 3080 | 75 | None | -1 | 24 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.bmcl.2013.01.025 | |||
DB00917 | 3080 | 75 | None | -1 | 24 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.bmcl.2013.01.025 | |||
72949200 | 153775 | 0 | None | - | 1 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 385 | 11 | 2 | 3 | 3.2 | CC#CC[C@H](C)[C@H](O)/C=C/[C@H]1CC(F)(F)C(=O)N1CCCCCCC(=O)O | nan | |||
CHEMBL3982139 | 153775 | 0 | None | - | 1 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 385 | 11 | 2 | 3 | 3.2 | CC#CC[C@H](C)[C@H](O)/C=C/[C@H]1CC(F)(F)C(=O)N1CCCCCCC(=O)O | nan | |||
12521 | 2195 | 0 | None | -1 | 4 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 399 | 11 | 2 | 3 | 3.6 | FC1(C(N([C@H](C1)/C=C/[C@H]([C@H](CC#CCC)C)O)CCCCCCC(=O)O)=O)F | nan | |||
72722131 | 2195 | 0 | None | -1 | 4 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 399 | 11 | 2 | 3 | 3.6 | FC1(C(N([C@H](C1)/C=C/[C@H]([C@H](CC#CCC)C)O)CCCCCCC(=O)O)=O)F | nan | |||
CHEMBL3918816 | 2195 | 0 | None | -1 | 4 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 399 | 11 | 2 | 3 | 3.6 | FC1(C(N([C@H](C1)/C=C/[C@H]([C@H](CC#CCC)C)O)CCCCCCC(=O)O)=O)F | nan | |||
5859 | 3765 | 26 | None | - | 1 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 383 | 11 | 2 | 5 | 2.5 | O[C@@H](Cc1ccccc1)/C=C/[C@H]1CCC(=O)N1CCCCCCc1nnn[nH]1 | 10.1016/s0960-894x(03)00042-8 | |||
9864831 | 3765 | 26 | None | - | 1 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 383 | 11 | 2 | 5 | 2.5 | O[C@@H](Cc1ccccc1)/C=C/[C@H]1CCC(=O)N1CCCCCCc1nnn[nH]1 | 10.1016/s0960-894x(03)00042-8 | |||
CHEMBL275667 | 3765 | 26 | None | - | 1 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 383 | 11 | 2 | 5 | 2.5 | O[C@@H](Cc1ccccc1)/C=C/[C@H]1CCC(=O)N1CCCCCCc1nnn[nH]1 | 10.1016/s0960-894x(03)00042-8 | |||
53323098 | 57700 | 0 | None | - | 1 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 627 | 10 | 2 | 6 | 6.2 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)NS(=O)(=O)c4ccc(C)cc4)CC3)cc1C)C2 | 10.1016/j.bmcl.2010.12.014 | |||
CHEMBL1669013 | 57700 | 0 | None | - | 1 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 627 | 10 | 2 | 6 | 6.2 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)NS(=O)(=O)c4ccc(C)cc4)CC3)cc1C)C2 | 10.1016/j.bmcl.2010.12.014 | |||
11524454 | 945 | 55 | None | - | 1 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 413 | 6 | 2 | 3 | 5.5 | Clc1ccc(c(c1)C(=O)N[C@H](c1ccc(cc1)C(=O)O)C)Oc1ccc(cc1)F | 10.1016/j.bmcl.2011.08.102 | |||
5857 | 945 | 55 | None | - | 1 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 413 | 6 | 2 | 3 | 5.5 | Clc1ccc(c(c1)C(=O)N[C@H](c1ccc(cc1)C(=O)O)C)Oc1ccc(cc1)F | 10.1016/j.bmcl.2011.08.102 | |||
CHEMBL591666 | 945 | 55 | None | - | 1 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 413 | 6 | 2 | 3 | 5.5 | Clc1ccc(c(c1)C(=O)N[C@H](c1ccc(cc1)C(=O)O)C)Oc1ccc(cc1)F | 10.1016/j.bmcl.2011.08.102 | |||
53325585 | 57701 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 616 | 10 | 1 | 4 | 7.8 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)Cc4ccc(Cl)cc4Cl)CC3)cc1C)C2 | 10.1016/j.bmcl.2010.12.014 | |||
CHEMBL1669014 | 57701 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 616 | 10 | 1 | 4 | 7.8 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)Cc4ccc(Cl)cc4Cl)CC3)cc1C)C2 | 10.1016/j.bmcl.2010.12.014 | |||
10029056 | 149996 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 502 | 9 | 3 | 5 | 5.3 | CC1(C)C(=O)[C@H](CC#CCCCC(=O)O)[C@@H](/C=C\C(O)CCc2sc3ccccc3c2Cl)[C@@H]1O | nan | |||
CHEMBL3950189 | 149996 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 502 | 9 | 3 | 5 | 5.3 | CC1(C)C(=O)[C@H](CC#CCCCC(=O)O)[C@@H](/C=C\C(O)CCc2sc3ccccc3c2Cl)[C@@H]1O | nan | |||
786859 | 110699 | 8 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 308 | 5 | 1 | 3 | 4.5 | Cc1oc(C(=O)O)cc1COc1ccc(-c2ccccc2)cc1 | 10.1016/j.bmcl.2014.02.068 | |||
CHEMBL3260419 | 110699 | 8 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 308 | 5 | 1 | 3 | 4.5 | Cc1oc(C(=O)O)cc1COc1ccc(-c2ccccc2)cc1 | 10.1016/j.bmcl.2014.02.068 | |||
1144137 | 110702 | 5 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 452 | 7 | 3 | 5 | 3.9 | CC(=O)c1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(C(=O)O)cc3)ccc2C)cc1 | 10.1016/j.bmcl.2014.02.068 | |||
CHEMBL3260422 | 110702 | 5 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 452 | 7 | 3 | 5 | 3.9 | CC(=O)c1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(C(=O)O)cc3)ccc2C)cc1 | 10.1016/j.bmcl.2014.02.068 | |||
90656152 | 110704 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 308 | 5 | 1 | 3 | 4.5 | Cc1oc(C(=O)O)cc1COc1cccc(-c2ccccc2)c1 | 10.1016/j.bmcl.2014.02.068 | |||
CHEMBL3260426 | 110704 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 308 | 5 | 1 | 3 | 4.5 | Cc1oc(C(=O)O)cc1COc1cccc(-c2ccccc2)c1 | 10.1016/j.bmcl.2014.02.068 | |||
44564990 | 192648 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 538 | 6 | 1 | 5 | 5.7 | Cn1cc(/C=C/C(=O)NS(=O)(=O)c2cc(F)c(F)cc2F)c2c(Oc3ccc(Cl)c(F)c3)cccc21 | 10.1016/j.bmcl.2008.12.112 | |||
CHEMBL521777 | 192648 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 538 | 6 | 1 | 5 | 5.7 | Cn1cc(/C=C/C(=O)NS(=O)(=O)c2cc(F)c(F)cc2F)c2c(Oc3ccc(Cl)c(F)c3)cccc21 | 10.1016/j.bmcl.2008.12.112 | |||
10096272 | 146601 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 470 | 10 | 2 | 6 | 4.9 | COC(=O)CCC/C=C\C[C@H]1C(=O)C(C)(C)[C@@H](O)[C@@H]1/C=C/C(O)Cc1cc2ccccc2s1 | nan | |||
CHEMBL3923193 | 146601 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 470 | 10 | 2 | 6 | 4.9 | COC(=O)CCC/C=C\C[C@H]1C(=O)C(C)(C)[C@@H](O)[C@@H]1/C=C/C(O)Cc1cc2ccccc2s1 | nan | |||
44627395 | 196870 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 563 | 7 | 1 | 7 | 5.6 | O=C(COc1cccc2ncn(Cc3ccc(Cl)cc3Cl)c12)NS(=O)(=O)c1cc(Cl)c(Cl)s1 | 10.1021/jm9005912 | |||
CHEMBL565992 | 196870 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 563 | 7 | 1 | 7 | 5.6 | O=C(COc1cccc2ncn(Cc3ccc(Cl)cc3Cl)c12)NS(=O)(=O)c1cc(Cl)c(Cl)s1 | 10.1021/jm9005912 | |||
25015836 | 57690 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 772 | 10 | 2 | 7 | 7.5 | Cc1cc(CC2(NC(=O)NS(=O)(=O)c3ccc4ccccc4c3)CC2)ccc1N1Cc2c(c(OCC(F)(F)F)c3cccnc3c2OCC(F)(F)F)C1=O | 10.1016/j.bmcl.2010.12.014 | |||
CHEMBL1669003 | 57690 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 772 | 10 | 2 | 7 | 7.5 | Cc1cc(CC2(NC(=O)NS(=O)(=O)c3ccc4ccccc4c3)CC2)ccc1N1Cc2c(c(OCC(F)(F)F)c3cccnc3c2OCC(F)(F)F)C1=O | 10.1016/j.bmcl.2010.12.014 | |||
58905358 | 159589 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 384 | 6 | 2 | 4 | 3.8 | O=C(O)c1ccc(CNC(=O)c2cc(F)cnc2Oc2ccc(F)cc2)cc1 | 10.1016/j.bmcl.2017.01.067 | |||
CHEMBL4103046 | 159589 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 384 | 6 | 2 | 4 | 3.8 | O=C(O)c1ccc(CNC(=O)c2cc(F)cnc2Oc2ccc(F)cc2)cc1 | 10.1016/j.bmcl.2017.01.067 | |||
CHEMBL4448899 | 213934 | 50 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | None | None | None | Cc1c(NC(=O)c2cc(C(N)=O)nc3cc(F)ccc23)c(C(F)(F)F)nn1Cc1ccc(C#N)cc1 | 10.6019/CHEMBL5212743 | |||||
86707361 | 139355 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 403 | 4 | 2 | 4 | 4.2 | Cc1ccc(N2CCC(F)(F)CC2)nc1C(=O)Nc1c(C)cc(C(=O)O)cc1C | 10.1016/j.bmcl.2016.03.041 | |||
CHEMBL3793002 | 139355 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 403 | 4 | 2 | 4 | 4.2 | Cc1ccc(N2CCC(F)(F)CC2)nc1C(=O)Nc1c(C)cc(C(=O)O)cc1C | 10.1016/j.bmcl.2016.03.041 | |||
90656151 | 110700 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 363 | 4 | 1 | 5 | 5.0 | CC(C)c1c(C(=O)O)cnn1-c1nc(-c2ccc3ccccc3c2)cs1 | 10.1016/j.bmcl.2014.02.068 | |||
CHEMBL3260420 | 110700 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 363 | 4 | 1 | 5 | 5.0 | CC(C)c1c(C(=O)O)cnn1-c1nc(-c2ccc3ccccc3c2)cs1 | 10.1016/j.bmcl.2014.02.068 | |||
44409902 | 74744 | 0 | None | - | 0 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 377 | 12 | 3 | 4 | 3.1 | O=C(O)CCCCCCN1C(=O)CC[C@@H]1CC[C@@H](O)Cc1cccc(O)c1 | 10.1016/j.bmcl.2006.01.018 | |||
CHEMBL203076 | 74744 | 0 | None | - | 0 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 377 | 12 | 3 | 4 | 3.1 | O=C(O)CCCCCCN1C(=O)CC[C@@H]1CC[C@@H](O)Cc1cccc(O)c1 | 10.1016/j.bmcl.2006.01.018 | |||
89914863 | 122595 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 421 | 8 | 2 | 5 | 3.4 | C[C@H](NC(=O)[C@H]1CCCCN1CCOc1ccc(C#N)cc1)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2015.05.091 | |||
CHEMBL3600883 | 122595 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 421 | 8 | 2 | 5 | 3.4 | C[C@H](NC(=O)[C@H]1CCCCN1CCOc1ccc(C#N)cc1)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2015.05.091 | |||
CHEMBL3601984 | 122595 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 421 | 8 | 2 | 5 | 3.4 | C[C@H](NC(=O)[C@H]1CCCCN1CCOc1ccc(C#N)cc1)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2015.05.091 | |||
89914526 | 122596 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 414 | 8 | 2 | 4 | 3.6 | C[C@H](NC(=O)[C@H]1CCCCN1CCOc1ccc(F)cc1)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2015.05.091 | |||
CHEMBL3600884 | 122596 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 414 | 8 | 2 | 4 | 3.6 | C[C@H](NC(=O)[C@H]1CCCCN1CCOc1ccc(F)cc1)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2015.05.091 | |||
CHEMBL3601985 | 122596 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 414 | 8 | 2 | 4 | 3.6 | C[C@H](NC(=O)[C@H]1CCCCN1CCOc1ccc(F)cc1)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2015.05.091 | |||
118191094 | 137352 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 444 | 5 | 3 | 4 | 4.8 | Cc1cc(C(=O)O)cc(C)c1NC(=O)c1nc(-c2cccc(CO)c2)ccc1C(F)(F)F | 10.1016/j.bmcl.2015.12.057 | |||
CHEMBL3752948 | 137352 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 444 | 5 | 3 | 4 | 4.8 | Cc1cc(C(=O)O)cc(C)c1NC(=O)c1nc(-c2cccc(CO)c2)ccc1C(F)(F)F | 10.1016/j.bmcl.2015.12.057 | |||
72695136 | 131333 | 2 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 383 | 4 | 3 | 5 | 2.9 | Cc1ccc(N2CCC(O)CC2)nc1C(=O)Nc1c(C)cc(C(=O)O)cc1C | 10.1016/j.bmcl.2016.03.041 | |||
CHEMBL3686863 | 131333 | 2 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 383 | 4 | 3 | 5 | 2.9 | Cc1ccc(N2CCC(O)CC2)nc1C(=O)Nc1c(C)cc(C(=O)O)cc1C | 10.1016/j.bmcl.2016.03.041 | |||
72695027 | 106264 | 0 | None | 28 | 2 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 396 | 8 | 2 | 4 | 3.5 | C[C@H](NC(=O)[C@H]1CCCCN1CCOc1ccccc1)c1ccc(C(=O)O)cc1 | 10.1021/ml5000367 | |||
CHEMBL3115074 | 106264 | 0 | None | 28 | 2 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 396 | 8 | 2 | 4 | 3.5 | C[C@H](NC(=O)[C@H]1CCCCN1CCOc1ccccc1)c1ccc(C(=O)O)cc1 | 10.1021/ml5000367 | |||
CHEMBL3138992 | 106264 | 0 | None | 28 | 2 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 396 | 8 | 2 | 4 | 3.5 | C[C@H](NC(=O)[C@H]1CCCCN1CCOc1ccccc1)c1ccc(C(=O)O)cc1 | 10.1021/ml5000367 | |||
58905388 | 158664 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 383 | 6 | 2 | 3 | 4.4 | O=C(O)c1ccc(CNC(=O)c2cc(F)ccc2Oc2ccc(F)cc2)cc1 | 10.1016/j.bmcl.2017.01.067 | |||
CHEMBL4092846 | 158664 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 383 | 6 | 2 | 3 | 4.4 | O=C(O)c1ccc(CNC(=O)c2cc(F)ccc2Oc2ccc(F)cc2)cc1 | 10.1016/j.bmcl.2017.01.067 | |||
44157014 | 192615 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 518 | 6 | 1 | 5 | 5.9 | Cn1cc(/C=C/C(=O)NS(=O)(=O)c2ccc(F)c(F)c2)c2c(Oc3ccc4ccccc4c3)cccc21 | 10.1016/j.bmcl.2008.12.112 | |||
CHEMBL521609 | 192615 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 518 | 6 | 1 | 5 | 5.9 | Cn1cc(/C=C/C(=O)NS(=O)(=O)c2ccc(F)c(F)c2)c2c(Oc3ccc4ccccc4c3)cccc21 | 10.1016/j.bmcl.2008.12.112 | |||
72695027 | 106264 | 0 | None | 28 | 2 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 396 | 8 | 2 | 4 | 3.5 | C[C@H](NC(=O)[C@H]1CCCCN1CCOc1ccccc1)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2015.05.091 | |||
CHEMBL3115074 | 106264 | 0 | None | 28 | 2 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 396 | 8 | 2 | 4 | 3.5 | C[C@H](NC(=O)[C@H]1CCCCN1CCOc1ccccc1)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2015.05.091 | |||
CHEMBL3138992 | 106264 | 0 | None | 28 | 2 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 396 | 8 | 2 | 4 | 3.5 | C[C@H](NC(=O)[C@H]1CCCCN1CCOc1ccccc1)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2015.05.091 | |||
11165865 | 77272 | 0 | None | - | 0 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 413 | 10 | 2 | 3 | 3.8 | O=C(O)c1ccc(CCCN2C(=O)CCC2CCC(O)Cc2cccc(F)c2)cc1 | 10.1016/j.bmcl.2006.01.018 | |||
CHEMBL208080 | 77272 | 0 | None | - | 0 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 413 | 10 | 2 | 3 | 3.8 | O=C(O)c1ccc(CCCN2C(=O)CCC2CCC(O)Cc2cccc(F)c2)cc1 | 10.1016/j.bmcl.2006.01.018 | |||
11618662 | 158820 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 421 | 6 | 2 | 5 | 4.6 | C[C@H](NC(=O)c1cc(Cl)cnc1Oc1cccc(C#N)c1)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2017.01.067 | |||
CHEMBL4094572 | 158820 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 421 | 6 | 2 | 5 | 4.6 | C[C@H](NC(=O)c1cc(Cl)cnc1Oc1cccc(C#N)c1)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2017.01.067 | |||
44564892 | 180520 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 554 | 6 | 1 | 5 | 6.2 | Cn1cc(/C=C/C(=O)NS(=O)(=O)c2cc(F)c(F)cc2F)c2c(Oc3ccc(Cl)c(Cl)c3)cccc21 | 10.1016/j.bmcl.2008.12.112 | |||
CHEMBL475348 | 180520 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | 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 | |||
11955357 | 148626 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 378 | 8 | 1 | 3 | 4.8 | COC(=O)CCCCCC[C@@H]1[C@@H](c2ccc3c(c2)CCC3)[C@H](O)C[C@H]1Cl | nan | |||
CHEMBL3939358 | 148626 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 378 | 8 | 1 | 3 | 4.8 | COC(=O)CCCCCC[C@@H]1[C@@H](c2ccc3c(c2)CCC3)[C@H](O)C[C@H]1Cl | nan | |||
118191077 | 136798 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 425 | 5 | 3 | 3 | 5.6 | Cc1cc(C(=O)O)cc(C)c1NC(=O)c1cc(-c2cccc(CO)c2)cc2ccccc12 | 10.1016/j.bmcl.2015.11.023 | |||
CHEMBL3741430 | 136798 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 425 | 5 | 3 | 3 | 5.6 | Cc1cc(C(=O)O)cc(C)c1NC(=O)c1cc(-c2cccc(CO)c2)cc2ccccc12 | 10.1016/j.bmcl.2015.11.023 | |||
25018911 | 57695 | 6 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 681 | 10 | 2 | 6 | 7.2 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)NS(=O)(=O)c4c(Cl)cccc4Cl)CC3)cc1C)C2 | 10.1016/j.bmcl.2010.12.014 | |||
CHEMBL1669008 | 57695 | 6 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 681 | 10 | 2 | 6 | 7.2 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)NS(=O)(=O)c4c(Cl)cccc4Cl)CC3)cc1C)C2 | 10.1016/j.bmcl.2010.12.014 | |||
25019184 | 57697 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 627 | 10 | 2 | 6 | 6.2 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)NS(=O)(=O)c4ccccc4C)CC3)cc1C)C2 | 10.1016/j.bmcl.2010.12.014 | |||
CHEMBL1669010 | 57697 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 627 | 10 | 2 | 6 | 6.2 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)NS(=O)(=O)c4ccccc4C)CC3)cc1C)C2 | 10.1016/j.bmcl.2010.12.014 | |||
44409693 | 166096 | 0 | None | - | 0 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 429 | 11 | 2 | 4 | 4.3 | CCc1ccc(CC(O)CC[C@H]2CCC(=O)N2CCCc2ccc(C(=O)O)s2)cc1 | 10.1016/j.bmcl.2006.01.018 | |||
CHEMBL425950 | 166096 | 0 | None | - | 0 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 429 | 11 | 2 | 4 | 4.3 | CCc1ccc(CC(O)CC[C@H]2CCC(=O)N2CCCc2ccc(C(=O)O)s2)cc1 | 10.1016/j.bmcl.2006.01.018 | |||
10319627 | 154285 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 414 | 10 | 2 | 5 | 3.6 | COC(=O)CCC/C=C\C[C@H]1C(=O)C(C)(C)[C@@H](O)[C@@H]1/C=C/C(O)Cc1ccccc1 | nan | |||
CHEMBL3986534 | 154285 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 414 | 10 | 2 | 5 | 3.6 | COC(=O)CCC/C=C\C[C@H]1C(=O)C(C)(C)[C@@H](O)[C@@H]1/C=C/C(O)Cc1ccccc1 | nan | |||
86707344 | 139327 | 3 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 383 | 4 | 3 | 5 | 2.9 | Cc1ccc(N2CCC(O)CC2)nc1C(=O)Nc1c(C)ccc(C(=O)O)c1C | 10.1016/j.bmcl.2016.03.041 | |||
CHEMBL3792709 | 139327 | 3 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 383 | 4 | 3 | 5 | 2.9 | Cc1ccc(N2CCC(O)CC2)nc1C(=O)Nc1c(C)ccc(C(=O)O)c1C | 10.1016/j.bmcl.2016.03.041 | |||
86707347 | 139440 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 397 | 5 | 3 | 5 | 3.2 | Cc1ccc(N2CCCC(CO)C2)nc1C(=O)Nc1c(C)cc(C(=O)O)cc1C | 10.1016/j.bmcl.2016.03.041 | |||
CHEMBL3793956 | 139440 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 397 | 5 | 3 | 5 | 3.2 | Cc1ccc(N2CCCC(CO)C2)nc1C(=O)Nc1c(C)cc(C(=O)O)cc1C | 10.1016/j.bmcl.2016.03.041 | |||
44564804 | 176698 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 536 | 6 | 1 | 5 | 6.1 | Cn1cc(/C=C/C(=O)NS(=O)(=O)c2ccc(F)c(F)c2)c2c(Oc3ccc(Cl)cc3Cl)cccc21 | 10.1016/j.bmcl.2008.12.112 | |||
CHEMBL459885 | 176698 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | 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 | |||
46885690 | 8454 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 516 | 6 | 2 | 5 | 4.1 | O=C(/C=C/c1cccc2c1N(Cc1ccc3ccccc3c1)C(=O)C2O)NS(=O)(=O)c1ccc(F)cc1 | 10.1016/j.bmcl.2010.02.028 | |||
CHEMBL1093791 | 8454 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 516 | 6 | 2 | 5 | 4.1 | O=C(/C=C/c1cccc2c1N(Cc1ccc3ccccc3c1)C(=O)C2O)NS(=O)(=O)c1ccc(F)cc1 | 10.1016/j.bmcl.2010.02.028 | |||
11677589 | 1857 | 56 | None | -3 | 4 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 491 | 7 | 2 | 6 | 4.1 | CCc1nc2c(n1c1ccc(cc1)CCNC(=O)NS(=O)(=O)c1ccc(cc1)C)cc(nc2C)C | 10.1016/j.bmcl.2016.03.041 | |||
5858 | 1857 | 56 | None | -3 | 4 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 491 | 7 | 2 | 6 | 4.1 | CCc1nc2c(n1c1ccc(cc1)CCNC(=O)NS(=O)(=O)c1ccc(cc1)C)cc(nc2C)C | 10.1016/j.bmcl.2016.03.041 | |||
CHEMBL3039498 | 1857 | 56 | None | -3 | 4 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 491 | 7 | 2 | 6 | 4.1 | CCc1nc2c(n1c1ccc(cc1)CCNC(=O)NS(=O)(=O)c1ccc(cc1)C)cc(nc2C)C | 10.1016/j.bmcl.2016.03.041 | |||
DB12836 | 1857 | 56 | None | -3 | 4 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 491 | 7 | 2 | 6 | 4.1 | CCc1nc2c(n1c1ccc(cc1)CCNC(=O)NS(=O)(=O)c1ccc(cc1)C)cc(nc2C)C | 10.1016/j.bmcl.2016.03.041 | |||
11677589 | 1857 | 56 | None | -3 | 4 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 491 | 7 | 2 | 6 | 4.1 | CCc1nc2c(n1c1ccc(cc1)CCNC(=O)NS(=O)(=O)c1ccc(cc1)C)cc(nc2C)C | 10.1016/j.bmcl.2015.11.023 | |||
5858 | 1857 | 56 | None | -3 | 4 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 491 | 7 | 2 | 6 | 4.1 | CCc1nc2c(n1c1ccc(cc1)CCNC(=O)NS(=O)(=O)c1ccc(cc1)C)cc(nc2C)C | 10.1016/j.bmcl.2015.11.023 | |||
CHEMBL3039498 | 1857 | 56 | None | -3 | 4 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 491 | 7 | 2 | 6 | 4.1 | CCc1nc2c(n1c1ccc(cc1)CCNC(=O)NS(=O)(=O)c1ccc(cc1)C)cc(nc2C)C | 10.1016/j.bmcl.2015.11.023 | |||
DB12836 | 1857 | 56 | None | -3 | 4 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 491 | 7 | 2 | 6 | 4.1 | CCc1nc2c(n1c1ccc(cc1)CCNC(=O)NS(=O)(=O)c1ccc(cc1)C)cc(nc2C)C | 10.1016/j.bmcl.2015.11.023 | |||
10007859 | 166487 | 0 | None | - | 2 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 554 | 7 | 2 | 4 | 6.7 | CC(=O)Nc1cc(C(=O)O)cc(-n2c(C)ccc2-c2cc(Br)ccc2OCc2ccc(F)cc2F)c1 | 10.1016/j.bmcl.2006.10.078 | |||
CHEMBL427844 | 166487 | 0 | None | - | 2 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 554 | 7 | 2 | 4 | 6.7 | CC(=O)Nc1cc(C(=O)O)cc(-n2c(C)ccc2-c2cc(Br)ccc2OCc2ccc(F)cc2F)c1 | 10.1016/j.bmcl.2006.10.078 | |||
10095268 | 86154 | 0 | None | -7079 | 4 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 449 | 6 | 1 | 3 | 6.8 | Cc1ccc(-n2c(C)ccc2-c2cc(Cl)ccc2OCc2ccc(F)cc2)cc1C(=O)O | 10.1016/j.bmcl.2006.11.059 | |||
CHEMBL231184 | 86154 | 0 | None | -7079 | 4 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 449 | 6 | 1 | 3 | 6.8 | Cc1ccc(-n2c(C)ccc2-c2cc(Cl)ccc2OCc2ccc(F)cc2)cc1C(=O)O | 10.1016/j.bmcl.2006.11.059 | |||
53323099 | 57705 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 578 | 11 | 1 | 5 | 6.5 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)Cc4ccccc4OC)CC3)cc1C)C2 | 10.1016/j.bmcl.2010.12.014 | |||
CHEMBL1669018 | 57705 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 578 | 11 | 1 | 5 | 6.5 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)Cc4ccccc4OC)CC3)cc1C)C2 | 10.1016/j.bmcl.2010.12.014 | |||
11677589 | 1857 | 56 | None | -3 | 4 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 491 | 7 | 2 | 6 | 4.1 | CCc1nc2c(n1c1ccc(cc1)CCNC(=O)NS(=O)(=O)c1ccc(cc1)C)cc(nc2C)C | 10.1016/j.bmcl.2015.12.057 | |||
5858 | 1857 | 56 | None | -3 | 4 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 491 | 7 | 2 | 6 | 4.1 | CCc1nc2c(n1c1ccc(cc1)CCNC(=O)NS(=O)(=O)c1ccc(cc1)C)cc(nc2C)C | 10.1016/j.bmcl.2015.12.057 | |||
CHEMBL3039498 | 1857 | 56 | None | -3 | 4 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 491 | 7 | 2 | 6 | 4.1 | CCc1nc2c(n1c1ccc(cc1)CCNC(=O)NS(=O)(=O)c1ccc(cc1)C)cc(nc2C)C | 10.1016/j.bmcl.2015.12.057 | |||
DB12836 | 1857 | 56 | None | -3 | 4 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 491 | 7 | 2 | 6 | 4.1 | CCc1nc2c(n1c1ccc(cc1)CCNC(=O)NS(=O)(=O)c1ccc(cc1)C)cc(nc2C)C | 10.1016/j.bmcl.2015.12.057 | |||
44409739 | 139658 | 0 | None | - | 0 | Rat | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 477 | 11 | 2 | 4 | 5.4 | O=C(O)c1ccc(CCCN2C(=O)CC[C@@H]2CCC(O)Cc2ccccc2-c2ccccc2)s1 | 10.1016/j.bmcl.2006.01.018 | |||
CHEMBL379785 | 139658 | 0 | None | - | 0 | Rat | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 477 | 11 | 2 | 4 | 5.4 | O=C(O)c1ccc(CCCN2C(=O)CC[C@@H]2CCC(O)Cc2ccccc2-c2ccccc2)s1 | 10.1016/j.bmcl.2006.01.018 | |||
11677589 | 1857 | 56 | None | -3 | 4 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 491 | 7 | 2 | 6 | 4.1 | CCc1nc2c(n1c1ccc(cc1)CCNC(=O)NS(=O)(=O)c1ccc(cc1)C)cc(nc2C)C | 10.1016/j.bmcl.2015.05.091 | |||
5858 | 1857 | 56 | None | -3 | 4 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 491 | 7 | 2 | 6 | 4.1 | CCc1nc2c(n1c1ccc(cc1)CCNC(=O)NS(=O)(=O)c1ccc(cc1)C)cc(nc2C)C | 10.1016/j.bmcl.2015.05.091 | |||
CHEMBL3039498 | 1857 | 56 | None | -3 | 4 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 491 | 7 | 2 | 6 | 4.1 | CCc1nc2c(n1c1ccc(cc1)CCNC(=O)NS(=O)(=O)c1ccc(cc1)C)cc(nc2C)C | 10.1016/j.bmcl.2015.05.091 | |||
DB12836 | 1857 | 56 | None | -3 | 4 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 491 | 7 | 2 | 6 | 4.1 | CCc1nc2c(n1c1ccc(cc1)CCNC(=O)NS(=O)(=O)c1ccc(cc1)C)cc(nc2C)C | 10.1016/j.bmcl.2015.05.091 | |||
44409917 | 139248 | 0 | None | - | 0 | Rat | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 419 | 10 | 2 | 4 | 3.9 | O=C(O)c1ccc(CCCN2C(=O)CC[C@@H]2CCC(O)Cc2cccc(F)c2)s1 | 10.1016/j.bmcl.2006.01.018 | |||
CHEMBL378968 | 139248 | 0 | None | - | 0 | Rat | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 419 | 10 | 2 | 4 | 3.9 | O=C(O)c1ccc(CCCN2C(=O)CC[C@@H]2CCC(O)Cc2cccc(F)c2)s1 | 10.1016/j.bmcl.2006.01.018 | |||
53323098 | 57700 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 627 | 10 | 2 | 6 | 6.2 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)NS(=O)(=O)c4ccc(C)cc4)CC3)cc1C)C2 | 10.1016/j.bmcl.2010.12.014 | |||
CHEMBL1669013 | 57700 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 627 | 10 | 2 | 6 | 6.2 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)NS(=O)(=O)c4ccc(C)cc4)CC3)cc1C)C2 | 10.1016/j.bmcl.2010.12.014 | |||
78319379 | 137475 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 389 | 5 | 3 | 3 | 4.7 | Cc1ccc(-c2cccc(CO)c2)cc1C(=O)Nc1c(C)cc(C(=O)O)cc1C | 10.1016/j.bmcl.2015.12.057 | |||
CHEMBL3753860 | 137475 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 389 | 5 | 3 | 3 | 4.7 | Cc1ccc(-c2cccc(CO)c2)cc1C(=O)Nc1c(C)cc(C(=O)O)cc1C | 10.1016/j.bmcl.2015.12.057 | |||
122180295 | 121642 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 422 | 3 | 1 | 4 | 5.3 | O=c1cc(CN2CCOc3c(Cl)cc(-c4csc5ccccc45)cc3C2)cc[nH]1 | 10.1021/acs.jmedchem.5b00567 | |||
CHEMBL3586359 | 121642 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 422 | 3 | 1 | 4 | 5.3 | O=c1cc(CN2CCOc3c(Cl)cc(-c4csc5ccccc45)cc3C2)cc[nH]1 | 10.1021/acs.jmedchem.5b00567 | |||
58905313 | 156970 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 412 | 7 | 2 | 4 | 4.7 | CCC(NC(=O)c1cc(F)cnc1Oc1ccc(F)cc1)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2017.01.067 | |||
CHEMBL4072974 | 156970 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 412 | 7 | 2 | 4 | 4.7 | CCC(NC(=O)c1cc(F)cnc1Oc1ccc(F)cc1)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2017.01.067 | |||
46879894 | 6179 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 565 | 6 | 1 | 5 | 7.2 | Cc1cn(Cc2ccc(Cl)cc2Cl)c2c(-c3cc(NS(=O)(=O)c4ccc(F)c(F)c4)no3)cc(F)cc12 | 10.1016/j.bmcl.2009.09.084 | |||
CHEMBL1081186 | 6179 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 565 | 6 | 1 | 5 | 7.2 | Cc1cn(Cc2ccc(Cl)cc2Cl)c2c(-c3cc(NS(=O)(=O)c4ccc(F)c(F)c4)no3)cc(F)cc12 | 10.1016/j.bmcl.2009.09.084 | |||
25019694 | 57713 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 641 | 10 | 2 | 6 | 6.5 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)NS(=O)(=O)c4c(C)cccc4C)CC3)cc1C)C2 | 10.1016/j.bmcl.2010.12.014 | |||
CHEMBL1669026 | 57713 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 641 | 10 | 2 | 6 | 6.5 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)NS(=O)(=O)c4c(C)cccc4C)CC3)cc1C)C2 | 10.1016/j.bmcl.2010.12.014 | |||
118174952 | 136820 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 396 | 4 | 2 | 3 | 5.5 | Cc1cc(C(=O)O)cc(C)c1NC(=O)c1cc(-c2ccccc2)nc2ccccc12 | 10.1016/j.bmcl.2015.11.023 | |||
CHEMBL3741642 | 136820 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 396 | 4 | 2 | 3 | 5.5 | Cc1cc(C(=O)O)cc(C)c1NC(=O)c1cc(-c2ccccc2)nc2ccccc12 | 10.1016/j.bmcl.2015.11.023 | |||
9934368 | 138919 | 11 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 469 | 10 | 2 | 4 | 4.8 | O=C(O)c1ccc(CCCN2C(=O)CC[C@@H]2CC[C@@H](O)Cc2cccc(C(F)(F)F)c2)s1 | 10.1016/j.ejmech.2021.113842 | |||
CHEMBL378376 | 138919 | 11 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 469 | 10 | 2 | 4 | 4.8 | O=C(O)c1ccc(CCCN2C(=O)CC[C@@H]2CC[C@@H](O)Cc2cccc(C(F)(F)F)c2)s1 | 10.1016/j.ejmech.2021.113842 | |||
CHEMBL5272661 | 193728 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 509 | 12 | 1 | 4 | 6.3 | CC(C)CC(=O)c1ccc(CCCN2C(=O)CC[C@@H]2CC[C@@H](O)Cc2cccc(C(F)(F)F)c2)s1 | 10.1016/j.ejmech.2021.113842 | |||
57392712 | 67846 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 455 | 4 | 2 | 3 | 5.8 | C[C@H](NC(=O)c1cccc2c1Oc1cc(C(F)(F)F)ccc1CC2)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2011.08.102 | |||
CHEMBL1910022 | 67846 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 455 | 4 | 2 | 3 | 5.8 | C[C@H](NC(=O)c1cccc2c1Oc1cc(C(F)(F)F)ccc1CC2)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2011.08.102 | |||
25019695 | 57712 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 681 | 10 | 2 | 6 | 7.2 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)NS(=O)(=O)c4cccc(Cl)c4Cl)CC3)cc1C)C2 | 10.1016/j.bmcl.2010.12.014 | |||
CHEMBL1669025 | 57712 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 681 | 10 | 2 | 6 | 7.2 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)NS(=O)(=O)c4cccc(Cl)c4Cl)CC3)cc1C)C2 | 10.1016/j.bmcl.2010.12.014 | |||
53325585 | 57701 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 616 | 10 | 1 | 4 | 7.8 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)Cc4ccc(Cl)cc4Cl)CC3)cc1C)C2 | 10.1016/j.bmcl.2010.12.014 | |||
CHEMBL1669014 | 57701 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 616 | 10 | 1 | 4 | 7.8 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)Cc4ccc(Cl)cc4Cl)CC3)cc1C)C2 | 10.1016/j.bmcl.2010.12.014 | |||
1883 | 3080 | 75 | None | 1 | 24 | Rat | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.bmcl.2009.01.059 | |||
1916 | 3080 | 75 | None | 1 | 24 | Rat | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.bmcl.2009.01.059 | |||
5280360 | 3080 | 75 | None | 1 | 24 | Rat | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.bmcl.2009.01.059 | |||
913 | 3080 | 75 | None | 1 | 24 | Rat | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.bmcl.2009.01.059 | |||
CHEMBL548 | 3080 | 75 | None | 1 | 24 | Rat | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.bmcl.2009.01.059 | |||
DB00917 | 3080 | 75 | None | 1 | 24 | Rat | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.bmcl.2009.01.059 | |||
25019433 | 57691 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 691 | 10 | 2 | 6 | 6.6 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)NS(=O)(=O)c4ccccc4Br)CC3)cc1C)C2 | 10.1016/j.bmcl.2010.12.014 | |||
CHEMBL1669004 | 57691 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 691 | 10 | 2 | 6 | 6.6 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)NS(=O)(=O)c4ccccc4Br)CC3)cc1C)C2 | 10.1016/j.bmcl.2010.12.014 | |||
11577792 | 159316 | 19 | None | -1 | 5 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 414 | 6 | 2 | 4 | 4.9 | C[C@H](NC(=O)c1cc(Cl)cnc1Oc1cccc(F)c1)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2017.01.067 | |||
CHEMBL4099851 | 159316 | 19 | None | -1 | 5 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 414 | 6 | 2 | 4 | 4.9 | C[C@H](NC(=O)c1cc(Cl)cnc1Oc1cccc(F)c1)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2017.01.067 | |||
25019183 | 57699 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 647 | 10 | 2 | 6 | 6.5 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)NS(=O)(=O)c4ccccc4Cl)CC3)cc1C)C2 | 10.1016/j.bmcl.2010.12.014 | |||
CHEMBL1669012 | 57699 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 647 | 10 | 2 | 6 | 6.5 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)NS(=O)(=O)c4ccccc4Cl)CC3)cc1C)C2 | 10.1016/j.bmcl.2010.12.014 | |||
72949915 | 143331 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 451 | 14 | 2 | 3 | 4.8 | C[C@@H](CCCc1ccccc1)[C@H](O)/C=C/[C@H]1CC(F)(F)C(=O)N1CCCCCCC(=O)O | nan | |||
CHEMBL3897335 | 143331 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 451 | 14 | 2 | 3 | 4.8 | C[C@@H](CCCc1ccccc1)[C@H](O)/C=C/[C@H]1CC(F)(F)C(=O)N1CCCCCCC(=O)O | nan | |||
25019435 | 57694 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 663 | 10 | 2 | 6 | 7.0 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)NS(=O)(=O)c4ccc5ccccc5c4)CC3)cc1C)C2 | 10.1016/j.bmcl.2010.12.014 | |||
CHEMBL1669007 | 57694 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 663 | 10 | 2 | 6 | 7.0 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)NS(=O)(=O)c4ccc5ccccc5c4)CC3)cc1C)C2 | 10.1016/j.bmcl.2010.12.014 | |||
10479215 | 146459 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 456 | 10 | 3 | 5 | 4.8 | CC1(C)C(=O)[C@H](C/C=C\CCCC(=O)O)[C@@H](/C=C/C(O)Cc2cc3ccccc3s2)[C@@H]1O | nan | |||
CHEMBL3922155 | 146459 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 456 | 10 | 3 | 5 | 4.8 | CC1(C)C(=O)[C@H](C/C=C\CCCC(=O)O)[C@@H](/C=C/C(O)Cc2cc3ccccc3s2)[C@@H]1O | nan | |||
10006340 | 150640 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 504 | 11 | 3 | 5 | 5.8 | CC1(C)C(=O)[C@H](C/C=C\CCCC(=O)O)[C@@H](/C=C/C(O)CCc2sc3ccccc3c2Cl)[C@@H]1O | nan | |||
CHEMBL3955476 | 150640 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 504 | 11 | 3 | 5 | 5.8 | CC1(C)C(=O)[C@H](C/C=C\CCCC(=O)O)[C@@H](/C=C/C(O)CCc2sc3ccccc3c2Cl)[C@@H]1O | nan | |||
10029056 | 149996 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 502 | 9 | 3 | 5 | 5.3 | CC1(C)C(=O)[C@H](CC#CCCCC(=O)O)[C@@H](/C=C\C(O)CCc2sc3ccccc3c2Cl)[C@@H]1O | nan | |||
CHEMBL3950189 | 149996 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 502 | 9 | 3 | 5 | 5.3 | CC1(C)C(=O)[C@H](CC#CCCCC(=O)O)[C@@H](/C=C\C(O)CCc2sc3ccccc3c2Cl)[C@@H]1O | nan | |||
10006340 | 150640 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 504 | 11 | 3 | 5 | 5.8 | CC1(C)C(=O)[C@H](C/C=C\CCCC(=O)O)[C@@H](/C=C/C(O)CCc2sc3ccccc3c2Cl)[C@@H]1O | nan | |||
CHEMBL3955476 | 150640 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 504 | 11 | 3 | 5 | 5.8 | CC1(C)C(=O)[C@H](C/C=C\CCCC(=O)O)[C@@H](/C=C/C(O)CCc2sc3ccccc3c2Cl)[C@@H]1O | nan | |||
122180297 | 121645 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 437 | 3 | 1 | 4 | 4.9 | C[C@@H]1COc2c(Cl)cc(-n3ccc4cc(F)ccc43)cc2CN1Cc1cc[nH]c(=O)c1 | 10.1021/acs.jmedchem.5b00567 | |||
CHEMBL3586362 | 121645 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 437 | 3 | 1 | 4 | 4.9 | C[C@@H]1COc2c(Cl)cc(-n3ccc4cc(F)ccc43)cc2CN1Cc1cc[nH]c(=O)c1 | 10.1021/acs.jmedchem.5b00567 | |||
89914844 | 122594 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 382 | 8 | 2 | 4 | 2.9 | O=C(O)c1ccc(CNC(=O)[C@H]2CCCCN2CCOc2ccccc2)cc1 | 10.1016/j.bmcl.2015.05.091 | |||
CHEMBL3600786 | 122594 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 382 | 8 | 2 | 4 | 2.9 | O=C(O)c1ccc(CNC(=O)[C@H]2CCCCN2CCOc2ccccc2)cc1 | 10.1016/j.bmcl.2015.05.091 | |||
CHEMBL3601983 | 122594 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 382 | 8 | 2 | 4 | 2.9 | O=C(O)c1ccc(CNC(=O)[C@H]2CCCCN2CCOc2ccccc2)cc1 | 10.1016/j.bmcl.2015.05.091 | |||
44564571 | 186813 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 536 | 6 | 1 | 5 | 6.1 | Cn1cc(/C=C/C(=O)NS(=O)(=O)c2ccc(F)c(F)c2)c2c(Oc3ccc(Cl)c(Cl)c3)cccc21 | 10.1016/j.bmcl.2008.12.112 | |||
CHEMBL489310 | 186813 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 536 | 6 | 1 | 5 | 6.1 | Cn1cc(/C=C/C(=O)NS(=O)(=O)c2ccc(F)c(F)c2)c2c(Oc3ccc(Cl)c(Cl)c3)cccc21 | 10.1016/j.bmcl.2008.12.112 | |||
44570712 | 183076 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | 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 | 183076 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | 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 | |||
44570668 | 184015 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | 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 | 184015 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | 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 | |||
44409733 | 140882 | 0 | None | - | 0 | Rat | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 401 | 10 | 2 | 4 | 3.8 | O=C(O)c1ccc(CCCN2C(=O)CC[C@@H]2CCC(O)Cc2ccccc2)s1 | 10.1016/j.bmcl.2006.01.018 | |||
CHEMBL382029 | 140882 | 0 | None | - | 0 | Rat | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 401 | 10 | 2 | 4 | 3.8 | O=C(O)c1ccc(CCCN2C(=O)CC[C@@H]2CCC(O)Cc2ccccc2)s1 | 10.1016/j.bmcl.2006.01.018 | |||
10113454 | 177499 | 0 | None | - | 3 | Rat | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 429 | 12 | 2 | 3 | 4.4 | O=C(O)CCCCCCN1C(=O)CC[C@@H]1CC[C@@H](O)Cc1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2006.01.018 | |||
CHEMBL46395 | 177499 | 0 | None | - | 3 | Rat | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 429 | 12 | 2 | 3 | 4.4 | O=C(O)CCCCCCN1C(=O)CC[C@@H]1CC[C@@H](O)Cc1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2006.01.018 | |||
25019434 | 57692 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 673 | 12 | 2 | 8 | 5.9 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)NS(=O)(=O)c4c(OC)cccc4OC)CC3)cc1C)C2 | 10.1016/j.bmcl.2010.12.014 | |||
CHEMBL1669005 | 57692 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 673 | 12 | 2 | 8 | 5.9 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)NS(=O)(=O)c4c(OC)cccc4OC)CC3)cc1C)C2 | 10.1016/j.bmcl.2010.12.014 | |||
58905368 | 156372 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 399 | 6 | 2 | 3 | 4.9 | O=C(O)c1ccc(CNC(=O)c2cc(Cl)ccc2Oc2ccc(F)cc2)cc1 | 10.1016/j.bmcl.2017.01.067 | |||
CHEMBL4066230 | 156372 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 399 | 6 | 2 | 3 | 4.9 | O=C(O)c1ccc(CNC(=O)c2cc(Cl)ccc2Oc2ccc(F)cc2)cc1 | 10.1016/j.bmcl.2017.01.067 | |||
44409743 | 141297 | 0 | None | - | 0 | Rat | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 419 | 15 | 2 | 4 | 3.6 | COCCc1cccc(C[C@H](O)CC[C@H]2CCC(=O)N2CCCCCCC(=O)O)c1 | 10.1016/j.bmcl.2006.01.018 | |||
CHEMBL383339 | 141297 | 0 | None | - | 0 | Rat | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 419 | 15 | 2 | 4 | 3.6 | COCCc1cccc(C[C@H](O)CC[C@H]2CCC(=O)N2CCCCCCC(=O)O)c1 | 10.1016/j.bmcl.2006.01.018 | |||
10096272 | 146601 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 470 | 10 | 2 | 6 | 4.9 | COC(=O)CCC/C=C\C[C@H]1C(=O)C(C)(C)[C@@H](O)[C@@H]1/C=C/C(O)Cc1cc2ccccc2s1 | nan | |||
CHEMBL3923193 | 146601 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 470 | 10 | 2 | 6 | 4.9 | COC(=O)CCC/C=C\C[C@H]1C(=O)C(C)(C)[C@@H](O)[C@@H]1/C=C/C(O)Cc1cc2ccccc2s1 | nan | |||
22394738 | 75411 | 0 | None | - | 0 | Rat | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 395 | 12 | 2 | 3 | 4.1 | O=C(O)CCCCCCN1C(=O)CCC1CCC(O)Cc1cccc(Cl)c1 | 10.1016/j.bmcl.2006.01.018 | |||
CHEMBL204058 | 75411 | 0 | None | - | 0 | Rat | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 395 | 12 | 2 | 3 | 4.1 | O=C(O)CCCCCCN1C(=O)CCC1CCC(O)Cc1cccc(Cl)c1 | 10.1016/j.bmcl.2006.01.018 | |||
25019433 | 57691 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 691 | 10 | 2 | 6 | 6.6 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)NS(=O)(=O)c4ccccc4Br)CC3)cc1C)C2 | 10.1016/j.bmcl.2010.12.014 | |||
CHEMBL1669004 | 57691 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 691 | 10 | 2 | 6 | 6.6 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)NS(=O)(=O)c4ccccc4Br)CC3)cc1C)C2 | 10.1016/j.bmcl.2010.12.014 | |||
11260304 | 140714 | 0 | None | - | 0 | Rat | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 487 | 12 | 2 | 4 | 5.5 | O=C(O)c1ccc(CCCN2C(=O)CCC2CCC(O)Cc2cccc(Oc3ccccc3)c2)cc1 | 10.1016/j.bmcl.2006.01.018 | |||
CHEMBL381755 | 140714 | 0 | None | - | 0 | Rat | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 487 | 12 | 2 | 4 | 5.5 | O=C(O)c1ccc(CCCN2C(=O)CCC2CCC(O)Cc2cccc(Oc3ccccc3)c2)cc1 | 10.1016/j.bmcl.2006.01.018 | |||
25019185 | 57696 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 643 | 11 | 2 | 7 | 5.9 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)NS(=O)(=O)c4ccccc4OC)CC3)cc1C)C2 | 10.1016/j.bmcl.2010.12.014 | |||
CHEMBL1669009 | 57696 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 643 | 11 | 2 | 7 | 5.9 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)NS(=O)(=O)c4ccccc4OC)CC3)cc1C)C2 | 10.1016/j.bmcl.2010.12.014 | |||
53325765 | 57704 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 579 | 11 | 1 | 6 | 5.9 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)Cc4ncccc4OC)CC3)cc1C)C2 | 10.1016/j.bmcl.2010.12.014 | |||
CHEMBL1669017 | 57704 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 579 | 11 | 1 | 6 | 5.9 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)Cc4ncccc4OC)CC3)cc1C)C2 | 10.1016/j.bmcl.2010.12.014 | |||
46885691 | 8455 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 534 | 6 | 2 | 5 | 4.2 | O=C(/C=C/c1cccc2c1N(Cc1ccc3ccccc3c1)C(=O)C2O)NS(=O)(=O)c1ccc(F)c(F)c1 | 10.1016/j.bmcl.2010.02.028 | |||
CHEMBL1093792 | 8455 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 534 | 6 | 2 | 5 | 4.2 | O=C(/C=C/c1cccc2c1N(Cc1ccc3ccccc3c1)C(=O)C2O)NS(=O)(=O)c1ccc(F)c(F)c1 | 10.1016/j.bmcl.2010.02.028 | |||
10369368 | 153435 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 518 | 11 | 2 | 6 | 5.9 | COC(=O)CCC/C=C\C[C@H]1C(=O)C(C)(C)[C@@H](O)[C@@H]1/C=C/C(O)CCc1sc2ccccc2c1Cl | nan | |||
CHEMBL3979233 | 153435 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 518 | 11 | 2 | 6 | 5.9 | COC(=O)CCC/C=C\C[C@H]1C(=O)C(C)(C)[C@@H](O)[C@@H]1/C=C/C(O)CCc1sc2ccccc2c1Cl | nan | |||
89914445 | 122592 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 410 | 9 | 2 | 4 | 3.9 | CC[C@H](NC(=O)[C@H]1CCCCN1CCOc1ccccc1)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2015.05.091 | |||
CHEMBL3600787 | 122592 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 410 | 9 | 2 | 4 | 3.9 | CC[C@H](NC(=O)[C@H]1CCCCN1CCOc1ccccc1)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2015.05.091 | |||
CHEMBL3601950 | 122592 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 410 | 9 | 2 | 4 | 3.9 | CC[C@H](NC(=O)[C@H]1CCCCN1CCOc1ccccc1)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2015.05.091 | |||
10432730 | 147267 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 428 | 11 | 2 | 5 | 4.0 | COC(=O)CCC/C=C\C[C@H]1C(=O)C(C)(C)[C@@H](O)[C@@H]1/C=C/C(O)CCc1ccccc1 | nan | |||
CHEMBL3928703 | 147267 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 428 | 11 | 2 | 5 | 4.0 | COC(=O)CCC/C=C\C[C@H]1C(=O)C(C)(C)[C@@H](O)[C@@H]1/C=C/C(O)CCc1ccccc1 | nan | |||
16664733 | 154825 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 483 | 9 | 3 | 5 | 4.3 | CC(=O)Nc1cccc(-c2ccc(Cc3ocnc3C(=O)N[C@@H](Cc3ccccc3)C(=O)O)cc2)c1 | 10.1016/j.bmcl.2006.12.025 | |||
CHEMBL400404 | 154825 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 483 | 9 | 3 | 5 | 4.3 | CC(=O)Nc1cccc(-c2ccc(Cc3ocnc3C(=O)N[C@@H](Cc3ccccc3)C(=O)O)cc2)c1 | 10.1016/j.bmcl.2006.12.025 | |||
118175009 | 136683 | 0 | None | 812 | 2 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 429 | 4 | 2 | 2 | 6.7 | Cc1ccc(C(=O)O)c(C)c1NC(=O)c1cc(-c2cccc(Cl)c2)cc2ccccc12 | 10.1016/j.bmcl.2015.12.057 | |||
CHEMBL3740325 | 136683 | 0 | None | 812 | 2 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 429 | 4 | 2 | 2 | 6.7 | Cc1ccc(C(=O)O)c(C)c1NC(=O)c1cc(-c2cccc(Cl)c2)cc2ccccc12 | 10.1016/j.bmcl.2015.12.057 | |||
118175009 | 136683 | 0 | None | 812 | 2 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 429 | 4 | 2 | 2 | 6.7 | Cc1ccc(C(=O)O)c(C)c1NC(=O)c1cc(-c2cccc(Cl)c2)cc2ccccc12 | 10.1016/j.bmcl.2015.11.023 | |||
CHEMBL3740325 | 136683 | 0 | None | 812 | 2 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 429 | 4 | 2 | 2 | 6.7 | Cc1ccc(C(=O)O)c(C)c1NC(=O)c1cc(-c2cccc(Cl)c2)cc2ccccc12 | 10.1016/j.bmcl.2015.11.023 | |||
10436601 | 152550 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 516 | 9 | 2 | 6 | 5.3 | COC(=O)CCCC#CC[C@H]1C(=O)C(C)(C)[C@@H](O)[C@@H]1/C=C\C(O)CCc1sc2ccccc2c1Cl | nan | |||
CHEMBL3971666 | 152550 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 516 | 9 | 2 | 6 | 5.3 | COC(=O)CCCC#CC[C@H]1C(=O)C(C)(C)[C@@H](O)[C@@H]1/C=C\C(O)CCc1sc2ccccc2c1Cl | nan | |||
16048029 | 195502 | 0 | None | - | 0 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 369 | 10 | 1 | 3 | 3.8 | CC(C)(C)c1ccc(CN(CCCCCCC(=O)O)S(C)(=O)=O)cc1 | 10.1016/j.bmcl.2009.01.059 | |||
CHEMBL553468 | 195502 | 0 | None | - | 0 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 369 | 10 | 1 | 3 | 3.8 | CC(C)(C)c1ccc(CN(CCCCCCC(=O)O)S(C)(=O)=O)cc1 | 10.1016/j.bmcl.2009.01.059 | |||
11326896 | 166284 | 0 | None | - | 0 | Rat | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 395 | 10 | 2 | 3 | 3.7 | O=C(O)c1ccc(CCCN2C(=O)CCC2CCC(O)Cc2ccccc2)cc1 | 10.1016/j.bmcl.2006.01.018 | |||
CHEMBL427035 | 166284 | 0 | None | - | 0 | Rat | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 395 | 10 | 2 | 3 | 3.7 | O=C(O)c1ccc(CCCN2C(=O)CCC2CCC(O)Cc2ccccc2)cc1 | 10.1016/j.bmcl.2006.01.018 | |||
9885481 | 195381 | 0 | None | - | 0 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 365 | 16 | 2 | 4 | 3.0 | CCCCCC(O)CCCN(CCCCCCC(=O)O)S(C)(=O)=O | 10.1016/j.bmcl.2009.01.059 | |||
CHEMBL551951 | 195381 | 0 | None | - | 0 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 365 | 16 | 2 | 4 | 3.0 | CCCCCC(O)CCCN(CCCCCCC(=O)O)S(C)(=O)=O | 10.1016/j.bmcl.2009.01.059 | |||
10434119 | 150436 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 454 | 8 | 3 | 5 | 4.2 | CC1(C)C(=O)[C@H](CC#CCCCC(=O)O)[C@@H](/C=C/C(O)Cc2cc3ccccc3s2)[C@@H]1O | nan | |||
CHEMBL3954031 | 150436 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 454 | 8 | 3 | 5 | 4.2 | CC1(C)C(=O)[C@H](CC#CCCCC(=O)O)[C@@H](/C=C/C(O)Cc2cc3ccccc3s2)[C@@H]1O | nan | |||
775693 | 46489 | 30 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 305 | 4 | 2 | 2 | 3.7 | O=C(Cc1cccc2ccccc12)Nc1ccccc1C(=O)O | 10.1016/j.bmcl.2014.02.068 | |||
CHEMBL1537470 | 46489 | 30 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 305 | 4 | 2 | 2 | 3.7 | O=C(Cc1cccc2ccccc12)Nc1ccccc1C(=O)O | 10.1016/j.bmcl.2014.02.068 | |||
57399661 | 67849 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 467 | 4 | 2 | 3 | 5.7 | O=C(O)c1ccc(C2(NC(=O)c3cccc4c3Oc3ccc(C(F)(F)F)cc3CC4)CC2)cc1 | 10.1016/j.bmcl.2011.08.102 | |||
CHEMBL1910025 | 67849 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 467 | 4 | 2 | 3 | 5.7 | O=C(O)c1ccc(C2(NC(=O)c3cccc4c3Oc3ccc(C(F)(F)F)cc3CC4)CC2)cc1 | 10.1016/j.bmcl.2011.08.102 | |||
10369368 | 153435 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 518 | 11 | 2 | 6 | 5.9 | COC(=O)CCC/C=C\C[C@H]1C(=O)C(C)(C)[C@@H](O)[C@@H]1/C=C/C(O)CCc1sc2ccccc2c1Cl | nan | |||
CHEMBL3979233 | 153435 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 518 | 11 | 2 | 6 | 5.9 | COC(=O)CCC/C=C\C[C@H]1C(=O)C(C)(C)[C@@H](O)[C@@H]1/C=C/C(O)CCc1sc2ccccc2c1Cl | nan | |||
71458060 | 79084 | 0 | None | - | 0 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 375 | 13 | 2 | 3 | 3.8 | O=C(O)CCCCCCN1C(=O)CC[C@@H]1CC[C@@H](O)CCc1ccccc1 | 10.1016/j.bmcl.2006.01.018 | |||
CHEMBL2113220 | 79084 | 0 | None | - | 0 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 375 | 13 | 2 | 3 | 3.8 | O=C(O)CCCCCCN1C(=O)CC[C@@H]1CC[C@@H](O)CCc1ccccc1 | 10.1016/j.bmcl.2006.01.018 | |||
11486771 | 170392 | 0 | None | - | 0 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 413 | 10 | 2 | 3 | 3.8 | O=C(O)c1ccc(CCCN2C(=O)CCC2CCC(O)Cc2ccc(F)cc2)cc1 | 10.1016/j.bmcl.2006.01.018 | |||
CHEMBL444798 | 170392 | 0 | None | - | 0 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 413 | 10 | 2 | 3 | 3.8 | O=C(O)c1ccc(CCCN2C(=O)CCC2CCC(O)Cc2ccc(F)cc2)cc1 | 10.1016/j.bmcl.2006.01.018 | |||
25016088 | 57693 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 681 | 10 | 2 | 6 | 6.9 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)NS(=O)(=O)c4ccccc4C(F)(F)F)CC3)cc1C)C2 | 10.1016/j.bmcl.2010.12.014 | |||
CHEMBL1669006 | 57693 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 681 | 10 | 2 | 6 | 6.9 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)NS(=O)(=O)c4ccccc4C(F)(F)F)CC3)cc1C)C2 | 10.1016/j.bmcl.2010.12.014 | |||
25019695 | 57712 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 681 | 10 | 2 | 6 | 7.2 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)NS(=O)(=O)c4cccc(Cl)c4Cl)CC3)cc1C)C2 | 10.1016/j.bmcl.2010.12.014 | |||
CHEMBL1669025 | 57712 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 681 | 10 | 2 | 6 | 7.2 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)NS(=O)(=O)c4cccc(Cl)c4Cl)CC3)cc1C)C2 | 10.1016/j.bmcl.2010.12.014 | |||
58905345 | 158891 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 398 | 6 | 2 | 4 | 4.3 | C[C@H](NC(=O)c1cc(F)cnc1Oc1ccc(F)cc1)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2017.01.067 | |||
CHEMBL4095293 | 158891 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 398 | 6 | 2 | 4 | 4.3 | C[C@H](NC(=O)c1cc(F)cnc1Oc1ccc(F)cc1)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2017.01.067 | |||
86707350 | 139436 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 397 | 5 | 3 | 5 | 3.2 | Cc1ccc(N2CCCC(CO)C2)nc1C(=O)Nc1c(C)ccc(C(=O)O)c1C | 10.1016/j.bmcl.2016.03.041 | |||
CHEMBL3793928 | 139436 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 397 | 5 | 3 | 5 | 3.2 | Cc1ccc(N2CCCC(CO)C2)nc1C(=O)Nc1c(C)ccc(C(=O)O)c1C | 10.1016/j.bmcl.2016.03.041 | |||
9807398 | 151296 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 542 | 12 | 3 | 7 | 5.3 | CC1(C)C(=O)[C@H](SCCCSCC(=O)O)[C@@H](/C=C/C(O)CCc2sc3ccccc3c2Cl)[C@@H]1O | nan | |||
CHEMBL3960625 | 151296 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 542 | 12 | 3 | 7 | 5.3 | CC1(C)C(=O)[C@H](SCCCSCC(=O)O)[C@@H](/C=C/C(O)CCc2sc3ccccc3c2Cl)[C@@H]1O | nan | |||
89914445 | 122592 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 410 | 9 | 2 | 4 | 3.9 | CC[C@H](NC(=O)[C@H]1CCCCN1CCOc1ccccc1)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2015.05.091 | |||
CHEMBL3600787 | 122592 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 410 | 9 | 2 | 4 | 3.9 | CC[C@H](NC(=O)[C@H]1CCCCN1CCOc1ccccc1)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2015.05.091 | |||
CHEMBL3601950 | 122592 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 410 | 9 | 2 | 4 | 3.9 | CC[C@H](NC(=O)[C@H]1CCCCN1CCOc1ccccc1)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2015.05.091 | |||
25018911 | 57695 | 6 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 681 | 10 | 2 | 6 | 7.2 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)NS(=O)(=O)c4c(Cl)cccc4Cl)CC3)cc1C)C2 | 10.1016/j.bmcl.2010.12.014 | |||
CHEMBL1669008 | 57695 | 6 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 681 | 10 | 2 | 6 | 7.2 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)NS(=O)(=O)c4c(Cl)cccc4Cl)CC3)cc1C)C2 | 10.1016/j.bmcl.2010.12.014 | |||
24944538 | 57698 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 756 | 10 | 2 | 7 | 7.0 | Cc1cc(CC2(NC(=O)NS(=O)(=O)c3ccccc3Cl)CC2)ccc1N1Cc2c(c(OCC(F)(F)F)c3cccnc3c2OCC(F)(F)F)C1=O | 10.1016/j.bmcl.2010.12.014 | |||
CHEMBL1669011 | 57698 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 756 | 10 | 2 | 7 | 7.0 | Cc1cc(CC2(NC(=O)NS(=O)(=O)c3ccccc3Cl)CC2)ccc1N1Cc2c(c(OCC(F)(F)F)c3cccnc3c2OCC(F)(F)F)C1=O | 10.1016/j.bmcl.2010.12.014 | |||
25019694 | 57713 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 641 | 10 | 2 | 6 | 6.5 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)NS(=O)(=O)c4c(C)cccc4C)CC3)cc1C)C2 | 10.1016/j.bmcl.2010.12.014 | |||
CHEMBL1669026 | 57713 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 641 | 10 | 2 | 6 | 6.5 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)NS(=O)(=O)c4c(C)cccc4C)CC3)cc1C)C2 | 10.1016/j.bmcl.2010.12.014 | |||
25019434 | 57692 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 673 | 12 | 2 | 8 | 5.9 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)NS(=O)(=O)c4c(OC)cccc4OC)CC3)cc1C)C2 | 10.1016/j.bmcl.2010.12.014 | |||
CHEMBL1669005 | 57692 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 673 | 12 | 2 | 8 | 5.9 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)NS(=O)(=O)c4c(OC)cccc4OC)CC3)cc1C)C2 | 10.1016/j.bmcl.2010.12.014 | |||
25016088 | 57693 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 681 | 10 | 2 | 6 | 6.9 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)NS(=O)(=O)c4ccccc4C(F)(F)F)CC3)cc1C)C2 | 10.1016/j.bmcl.2010.12.014 | |||
CHEMBL1669006 | 57693 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 681 | 10 | 2 | 6 | 6.9 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)NS(=O)(=O)c4ccccc4C(F)(F)F)CC3)cc1C)C2 | 10.1016/j.bmcl.2010.12.014 | |||
25019184 | 57697 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 627 | 10 | 2 | 6 | 6.2 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)NS(=O)(=O)c4ccccc4C)CC3)cc1C)C2 | 10.1016/j.bmcl.2010.12.014 | |||
CHEMBL1669010 | 57697 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 627 | 10 | 2 | 6 | 6.2 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)NS(=O)(=O)c4ccccc4C)CC3)cc1C)C2 | 10.1016/j.bmcl.2010.12.014 | |||
72948294 | 149955 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 439 | 9 | 2 | 4 | 4.0 | CCC#CC[C@H](C)[C@H](O)/C=C/[C@H]1CC(F)(F)C(=O)N1CCCc1ccc(C(=O)O)s1 | nan | |||
CHEMBL3949856 | 149955 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 439 | 9 | 2 | 4 | 4.0 | CCC#CC[C@H](C)[C@H](O)/C=C/[C@H]1CC(F)(F)C(=O)N1CCCc1ccc(C(=O)O)s1 | nan | |||
25019185 | 57696 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 643 | 11 | 2 | 7 | 5.9 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)NS(=O)(=O)c4ccccc4OC)CC3)cc1C)C2 | 10.1016/j.bmcl.2010.12.014 | |||
CHEMBL1669009 | 57696 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 643 | 11 | 2 | 7 | 5.9 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)NS(=O)(=O)c4ccccc4OC)CC3)cc1C)C2 | 10.1016/j.bmcl.2010.12.014 | |||
53325764 | 57703 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 622 | 12 | 2 | 6 | 6.2 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)Cc4cc(C(=O)O)ccc4OC)CC3)cc1C)C2 | 10.1016/j.bmcl.2010.12.014 | |||
CHEMBL1669016 | 57703 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 622 | 12 | 2 | 6 | 6.2 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)Cc4cc(C(=O)O)ccc4OC)CC3)cc1C)C2 | 10.1016/j.bmcl.2010.12.014 | |||
1883 | 3080 | 75 | None | -1 | 24 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1021/jm8007618 | |||
1916 | 3080 | 75 | None | -1 | 24 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1021/jm8007618 | |||
5280360 | 3080 | 75 | None | -1 | 24 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1021/jm8007618 | |||
913 | 3080 | 75 | None | -1 | 24 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1021/jm8007618 | |||
CHEMBL548 | 3080 | 75 | None | -1 | 24 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1021/jm8007618 | |||
DB00917 | 3080 | 75 | None | -1 | 24 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1021/jm8007618 | |||
11961366 | 150470 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 556 | 12 | 2 | 8 | 5.4 | COC(=O)CSCCCS[C@H]1C(=O)C(C)(C)[C@@H](O)[C@@H]1/C=C/C(O)CCc1sc2ccccc2c1Cl | nan | |||
CHEMBL3954286 | 150470 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 556 | 12 | 2 | 8 | 5.4 | COC(=O)CSCCCS[C@H]1C(=O)C(C)(C)[C@@H](O)[C@@H]1/C=C/C(O)CCc1sc2ccccc2c1Cl | nan | |||
56927669 | 121643 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 423 | 3 | 1 | 4 | 4.5 | O=c1cc(CN2CCOc3c(Cl)cc(-n4ccc5cc(F)ccc54)cc3C2)cc[nH]1 | 10.1021/acs.jmedchem.5b00567 | |||
CHEMBL3586360 | 121643 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 423 | 3 | 1 | 4 | 4.5 | O=c1cc(CN2CCOc3c(Cl)cc(-n4ccc5cc(F)ccc54)cc3C2)cc[nH]1 | 10.1021/acs.jmedchem.5b00567 | |||
122180296 | 121644 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 436 | 3 | 1 | 4 | 5.7 | C[C@@H]1COc2c(Cl)cc(-c3csc4ccccc34)cc2CN1Cc1cc[nH]c(=O)c1 | 10.1021/acs.jmedchem.5b00567 | |||
CHEMBL3586361 | 121644 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 436 | 3 | 1 | 4 | 5.7 | C[C@@H]1COc2c(Cl)cc(-c3csc4ccccc34)cc2CN1Cc1cc[nH]c(=O)c1 | 10.1021/acs.jmedchem.5b00567 | |||
10479215 | 146459 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 456 | 10 | 3 | 5 | 4.8 | CC1(C)C(=O)[C@H](C/C=C\CCCC(=O)O)[C@@H](/C=C/C(O)Cc2cc3ccccc3s2)[C@@H]1O | nan | |||
CHEMBL3922155 | 146459 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 456 | 10 | 3 | 5 | 4.8 | CC1(C)C(=O)[C@H](C/C=C\CCCC(=O)O)[C@@H](/C=C/C(O)Cc2cc3ccccc3s2)[C@@H]1O | nan | |||
118191085 | 136849 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 426 | 5 | 3 | 4 | 5.0 | Cc1ccc(C(=O)O)c(C)c1NC(=O)c1cc(-c2cccc(CO)c2)nc2ccccc12 | 10.1016/j.bmcl.2015.11.023 | |||
CHEMBL3741902 | 136849 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 426 | 5 | 3 | 4 | 5.0 | Cc1ccc(C(=O)O)c(C)c1NC(=O)c1cc(-c2cccc(CO)c2)nc2ccccc12 | 10.1016/j.bmcl.2015.11.023 | |||
122180289 | 121637 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 406 | 3 | 0 | 4 | 6.0 | Clc1cc(-c2csc3ccccc23)cc2c1OCCN(Cc1cccnc1)C2 | 10.1021/acs.jmedchem.5b00567 | |||
CHEMBL3586353 | 121637 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 406 | 3 | 0 | 4 | 6.0 | Clc1cc(-c2csc3ccccc23)cc2c1OCCN(Cc1cccnc1)C2 | 10.1021/acs.jmedchem.5b00567 | |||
25019183 | 57699 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 647 | 10 | 2 | 6 | 6.5 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)NS(=O)(=O)c4ccccc4Cl)CC3)cc1C)C2 | 10.1016/j.bmcl.2010.12.014 | |||
CHEMBL1669012 | 57699 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 647 | 10 | 2 | 6 | 6.5 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)NS(=O)(=O)c4ccccc4Cl)CC3)cc1C)C2 | 10.1016/j.bmcl.2010.12.014 | |||
44409712 | 77338 | 0 | None | - | 0 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 437 | 13 | 2 | 3 | 5.1 | O=C(O)CCCCCCN1C(=O)CC[C@@H]1CC[C@@H](O)Cc1cccc(-c2ccccc2)c1 | 10.1016/j.bmcl.2006.01.018 | |||
CHEMBL208399 | 77338 | 0 | None | - | 0 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 437 | 13 | 2 | 3 | 5.1 | O=C(O)CCCCCCN1C(=O)CC[C@@H]1CC[C@@H](O)Cc1cccc(-c2ccccc2)c1 | 10.1016/j.bmcl.2006.01.018 | |||
53319154 | 57702 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 582 | 10 | 1 | 4 | 7.2 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)Cc4ccccc4Cl)CC3)cc1C)C2 | 10.1016/j.bmcl.2010.12.014 | |||
CHEMBL1669015 | 57702 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 582 | 10 | 1 | 4 | 7.2 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)Cc4ccccc4Cl)CC3)cc1C)C2 | 10.1016/j.bmcl.2010.12.014 | |||
30897313 | 121596 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 402 | 4 | 0 | 5 | 5.4 | COc1cc(-c2csc3ccccc23)cc2c1OCCN(Cc1cccnc1)C2 | 10.1021/acs.jmedchem.5b00567 | |||
CHEMBL3586309 | 121596 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 402 | 4 | 0 | 5 | 5.4 | COc1cc(-c2csc3ccccc23)cc2c1OCCN(Cc1cccnc1)C2 | 10.1021/acs.jmedchem.5b00567 | |||
86707352 | 139435 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 397 | 4 | 3 | 5 | 3.3 | Cc1ccc(N2CCC(C)(O)CC2)nc1C(=O)Nc1c(C)cc(C(=O)O)cc1C | 10.1016/j.bmcl.2016.03.041 | |||
CHEMBL3793924 | 139435 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 397 | 4 | 3 | 5 | 3.3 | Cc1ccc(N2CCC(C)(O)CC2)nc1C(=O)Nc1c(C)cc(C(=O)O)cc1C | 10.1016/j.bmcl.2016.03.041 | |||
44627515 | 196835 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 572 | 6 | 1 | 5 | 7.2 | Cc1cn(Cc2ccc3ccccc3c2)c2c(/C=C/C(=O)NS(=O)(=O)c3cc(Cl)c(Cl)s3)cc(F)cc12 | 10.1021/jm9005912 | |||
CHEMBL565799 | 196835 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 572 | 6 | 1 | 5 | 7.2 | Cc1cn(Cc2ccc3ccccc3c2)c2c(/C=C/C(=O)NS(=O)(=O)c3cc(Cl)c(Cl)s3)cc(F)cc12 | 10.1021/jm9005912 | |||
25019435 | 57694 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 663 | 10 | 2 | 6 | 7.0 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)NS(=O)(=O)c4ccc5ccccc5c4)CC3)cc1C)C2 | 10.1016/j.bmcl.2010.12.014 | |||
CHEMBL1669007 | 57694 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 663 | 10 | 2 | 6 | 7.0 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)NS(=O)(=O)c4ccc5ccccc5c4)CC3)cc1C)C2 | 10.1016/j.bmcl.2010.12.014 | |||
58905349 | 156276 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 400 | 6 | 2 | 4 | 4.3 | O=C(O)c1ccc(CNC(=O)c2cc(Cl)cnc2Oc2ccc(F)cc2)cc1 | 10.1016/j.bmcl.2017.01.067 | |||
CHEMBL4065183 | 156276 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 400 | 6 | 2 | 4 | 4.3 | O=C(O)c1ccc(CNC(=O)c2cc(Cl)cnc2Oc2ccc(F)cc2)cc1 | 10.1016/j.bmcl.2017.01.067 | |||
25019697 | 57689 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 697 | 11 | 2 | 7 | 6.8 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)NS(=O)(=O)c4ccc(OC(F)(F)F)cc4)CC3)cc1C)C2 | 10.1016/j.bmcl.2010.12.014 | |||
CHEMBL1669002 | 57689 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 697 | 11 | 2 | 7 | 6.8 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)NS(=O)(=O)c4ccc(OC(F)(F)F)cc4)CC3)cc1C)C2 | 10.1016/j.bmcl.2010.12.014 | |||
44190762 | 176878 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | 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 | 176878 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | 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 | |||
91810751 | 137503 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 390 | 5 | 3 | 4 | 4.1 | Cc1ccc(-c2cccc(CO)c2)nc1C(=O)Nc1c(C)ccc(C(=O)O)c1C | 10.1016/j.bmcl.2016.03.041 | |||
CHEMBL3754085 | 137503 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 390 | 5 | 3 | 4 | 4.1 | Cc1ccc(-c2cccc(CO)c2)nc1C(=O)Nc1c(C)ccc(C(=O)O)c1C | 10.1016/j.bmcl.2016.03.041 | |||
91810751 | 137503 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 390 | 5 | 3 | 4 | 4.1 | Cc1ccc(-c2cccc(CO)c2)nc1C(=O)Nc1c(C)ccc(C(=O)O)c1C | 10.1016/j.bmcl.2015.12.057 | |||
CHEMBL3754085 | 137503 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 390 | 5 | 3 | 4 | 4.1 | Cc1ccc(-c2cccc(CO)c2)nc1C(=O)Nc1c(C)ccc(C(=O)O)c1C | 10.1016/j.bmcl.2015.12.057 | |||
44409923 | 166001 | 0 | None | - | 0 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 386 | 12 | 2 | 4 | 3.3 | N#Cc1cccc(C[C@H](O)CC[C@H]2CCC(=O)N2CCCCCCC(=O)O)c1 | 10.1016/j.bmcl.2006.01.018 | |||
CHEMBL425409 | 166001 | 0 | None | - | 0 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 386 | 12 | 2 | 4 | 3.3 | N#Cc1cccc(C[C@H](O)CC[C@H]2CCC(=O)N2CCCCCCC(=O)O)c1 | 10.1016/j.bmcl.2006.01.018 | |||
57396195 | 67847 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 467 | 4 | 2 | 3 | 5.7 | O=C(O)c1ccc(C2(NC(=O)c3cccc4c3Oc3cc(C(F)(F)F)ccc3CC4)CC2)cc1 | 10.1016/j.bmcl.2011.08.102 | |||
CHEMBL1910023 | 67847 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 467 | 4 | 2 | 3 | 5.7 | O=C(O)c1ccc(C2(NC(=O)c3cccc4c3Oc3cc(C(F)(F)F)ccc3CC4)CC2)cc1 | 10.1016/j.bmcl.2011.08.102 | |||
10046549 | 151733 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 400 | 10 | 3 | 4 | 3.6 | CC1(C)C(=O)[C@H](C/C=C\CCCC(=O)O)[C@@H](/C=C/C(O)Cc2ccccc2)[C@@H]1O | nan | |||
CHEMBL3964563 | 151733 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 400 | 10 | 3 | 4 | 3.6 | CC1(C)C(=O)[C@H](C/C=C\CCCC(=O)O)[C@@H](/C=C/C(O)Cc2ccccc2)[C@@H]1O | nan | |||
53323099 | 57705 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 578 | 11 | 1 | 5 | 6.5 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)Cc4ccccc4OC)CC3)cc1C)C2 | 10.1016/j.bmcl.2010.12.014 | |||
CHEMBL1669018 | 57705 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 578 | 11 | 1 | 5 | 6.5 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)Cc4ccccc4OC)CC3)cc1C)C2 | 10.1016/j.bmcl.2010.12.014 | |||
25019696 | 57711 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 631 | 10 | 2 | 6 | 6.0 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)NS(=O)(=O)c4ccc(F)cc4)CC3)cc1C)C2 | 10.1016/j.bmcl.2010.12.014 | |||
CHEMBL1669024 | 57711 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 631 | 10 | 2 | 6 | 6.0 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)NS(=O)(=O)c4ccc(F)cc4)CC3)cc1C)C2 | 10.1016/j.bmcl.2010.12.014 | |||
53325765 | 57704 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 579 | 11 | 1 | 6 | 5.9 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)Cc4ncccc4OC)CC3)cc1C)C2 | 10.1016/j.bmcl.2010.12.014 | |||
CHEMBL1669017 | 57704 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 579 | 11 | 1 | 6 | 5.9 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)Cc4ncccc4OC)CC3)cc1C)C2 | 10.1016/j.bmcl.2010.12.014 | |||
72950260 | 151157 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 437 | 14 | 2 | 3 | 4.6 | O=C(O)CCCCCCN1C(=O)C(F)(F)C[C@@H]1/C=C/[C@@H](O)CCCCc1ccccc1 | nan | |||
CHEMBL3959605 | 151157 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 437 | 14 | 2 | 3 | 4.6 | O=C(O)CCCCCCN1C(=O)C(F)(F)C[C@@H]1/C=C/[C@@H](O)CCCCc1ccccc1 | nan | |||
10045223 | 151965 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 378 | 10 | 3 | 4 | 3.3 | CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C(C)(C)C(=O)[C@@H]1CC#CCCCC(=O)O | nan | |||
CHEMBL3966610 | 151965 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 378 | 10 | 3 | 4 | 3.3 | CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C(C)(C)C(=O)[C@@H]1CC#CCCCC(=O)O | nan | |||
10023570 | 153334 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 394 | 12 | 2 | 5 | 4.0 | CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C(C)(C)C(=O)[C@@H]1C/C=C\CCCC(=O)OC | nan | |||
CHEMBL3978305 | 153334 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 394 | 12 | 2 | 5 | 4.0 | CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C(C)(C)C(=O)[C@@H]1C/C=C\CCCC(=O)OC | nan | |||
10323691 | 143226 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 499 | 12 | 4 | 6 | 3.8 | CC1(C)C(=O)[C@H](C/C=C\CCCC(=O)NCCO)[C@@H](/C=C/C(O)Cc2cc3ccccc3s2)[C@@H]1O | nan | |||
CHEMBL3896491 | 143226 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 499 | 12 | 4 | 6 | 3.8 | CC1(C)C(=O)[C@H](C/C=C\CCCC(=O)NCCO)[C@@H](/C=C/C(O)Cc2cc3ccccc3s2)[C@@H]1O | nan | |||
11339406 | 141332 | 0 | None | - | 0 | Rat | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 429 | 10 | 2 | 3 | 4.3 | O=C(O)c1ccc(CCCN2C(=O)CCC2CCC(O)Cc2cccc(Cl)c2)cc1 | 10.1016/j.bmcl.2006.01.018 | |||
CHEMBL383515 | 141332 | 0 | None | - | 0 | Rat | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 429 | 10 | 2 | 3 | 4.3 | O=C(O)c1ccc(CCCN2C(=O)CCC2CCC(O)Cc2cccc(Cl)c2)cc1 | 10.1016/j.bmcl.2006.01.018 | |||
1884 | 3081 | 52 | None | -15 | 22 | Human | 5.4 | pIC50 | = | 5.4 | 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/jm990542v | |||
5280363 | 3081 | 52 | None | -15 | 22 | Human | 5.4 | pIC50 | = | 5.4 | 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/jm990542v | |||
912 | 3081 | 52 | None | -15 | 22 | Human | 5.4 | pIC50 | = | 5.4 | 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/jm990542v | |||
CHEMBL815 | 3081 | 52 | None | -15 | 22 | Human | 5.4 | pIC50 | = | 5.4 | 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/jm990542v | |||
DB12789 | 3081 | 52 | None | -15 | 22 | Human | 5.4 | pIC50 | = | 5.4 | 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/jm990542v | |||
1884 | 3081 | 52 | None | -15 | 22 | Human | 5.4 | pIC50 | = | 5.4 | 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/jm010264b | |||
5280363 | 3081 | 52 | None | -15 | 22 | Human | 5.4 | pIC50 | = | 5.4 | 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/jm010264b | |||
912 | 3081 | 52 | None | -15 | 22 | Human | 5.4 | pIC50 | = | 5.4 | 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/jm010264b | |||
CHEMBL815 | 3081 | 52 | None | -15 | 22 | Human | 5.4 | pIC50 | = | 5.4 | 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/jm010264b | |||
DB12789 | 3081 | 52 | None | -15 | 22 | Human | 5.4 | pIC50 | = | 5.4 | 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/jm010264b | |||
9807398 | 151296 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 542 | 12 | 3 | 7 | 5.3 | CC1(C)C(=O)[C@H](SCCCSCC(=O)O)[C@@H](/C=C/C(O)CCc2sc3ccccc3c2Cl)[C@@H]1O | nan | |||
CHEMBL3960625 | 151296 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 542 | 12 | 3 | 7 | 5.3 | CC1(C)C(=O)[C@H](SCCCSCC(=O)O)[C@@H](/C=C/C(O)CCc2sc3ccccc3c2Cl)[C@@H]1O | nan | |||
10319627 | 154285 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 414 | 10 | 2 | 5 | 3.6 | COC(=O)CCC/C=C\C[C@H]1C(=O)C(C)(C)[C@@H](O)[C@@H]1/C=C/C(O)Cc1ccccc1 | nan | |||
CHEMBL3986534 | 154285 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 414 | 10 | 2 | 5 | 3.6 | COC(=O)CCC/C=C\C[C@H]1C(=O)C(C)(C)[C@@H](O)[C@@H]1/C=C/C(O)Cc1ccccc1 | nan | |||
3756926 | 110701 | 9 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 357 | 2 | 1 | 4 | 4.1 | O=C(O)c1ccc2c(c1)C(=O)N(c1ccc3c(c1)oc1ccccc13)C2=O | 10.1016/j.bmcl.2014.02.068 | |||
CHEMBL3260421 | 110701 | 9 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 357 | 2 | 1 | 4 | 4.1 | O=C(O)c1ccc2c(c1)C(=O)N(c1ccc3c(c1)oc1ccccc13)C2=O | 10.1016/j.bmcl.2014.02.068 | |||
2883793 | 110703 | 5 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 322 | 4 | 1 | 4 | 4.8 | Cc1oc(C(=O)O)cc1COc1ccc2oc3ccccc3c2c1 | 10.1016/j.bmcl.2014.02.068 | |||
CHEMBL3260423 | 110703 | 5 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 322 | 4 | 1 | 4 | 4.8 | Cc1oc(C(=O)O)cc1COc1ccc2oc3ccccc3c2c1 | 10.1016/j.bmcl.2014.02.068 | |||
11351910 | 77341 | 0 | None | - | 0 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 471 | 11 | 2 | 3 | 5.4 | O=C(O)c1ccc(CCCN2C(=O)CCC2CCC(O)Cc2cccc(-c3ccccc3)c2)cc1 | 10.1016/j.bmcl.2006.01.018 | |||
CHEMBL208411 | 77341 | 0 | None | - | 0 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 471 | 11 | 2 | 3 | 5.4 | O=C(O)c1ccc(CCCN2C(=O)CCC2CCC(O)Cc2cccc(-c3ccccc3)c2)cc1 | 10.1016/j.bmcl.2006.01.018 | |||
118190924 | 137440 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 393 | 5 | 3 | 3 | 4.6 | Cc1cc(C(=O)O)cc(C)c1NC(=O)c1cc(-c2cccc(CO)c2)ccc1F | 10.1016/j.bmcl.2015.12.057 | |||
CHEMBL3753567 | 137440 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 393 | 5 | 3 | 3 | 4.6 | Cc1cc(C(=O)O)cc(C)c1NC(=O)c1cc(-c2cccc(CO)c2)ccc1F | 10.1016/j.bmcl.2015.12.057 | |||
9983881 | 144846 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 511 | 12 | 2 | 5 | 5.5 | CCN(CC)C(=O)CCC/C=C\C[C@H]1C(=O)C(C)(C)[C@@H](O)[C@@H]1/C=C/C(O)Cc1cc2ccccc2s1 | nan | |||
CHEMBL3909714 | 144846 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 511 | 12 | 2 | 5 | 5.5 | CCN(CC)C(=O)CCC/C=C\C[C@H]1C(=O)C(C)(C)[C@@H](O)[C@@H]1/C=C/C(O)Cc1cc2ccccc2s1 | nan | |||
24944538 | 57698 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 756 | 10 | 2 | 7 | 7.0 | Cc1cc(CC2(NC(=O)NS(=O)(=O)c3ccccc3Cl)CC2)ccc1N1Cc2c(c(OCC(F)(F)F)c3cccnc3c2OCC(F)(F)F)C1=O | 10.1016/j.bmcl.2010.12.014 | |||
CHEMBL1669011 | 57698 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 756 | 10 | 2 | 7 | 7.0 | Cc1cc(CC2(NC(=O)NS(=O)(=O)c3ccccc3Cl)CC2)ccc1N1Cc2c(c(OCC(F)(F)F)c3cccnc3c2OCC(F)(F)F)C1=O | 10.1016/j.bmcl.2010.12.014 | |||
11502889 | 156058 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 430 | 6 | 2 | 4 | 5.4 | C[C@H](NC(=O)c1cc(Cl)cnc1Oc1cccc(Cl)c1)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2017.01.067 | |||
CHEMBL4062620 | 156058 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 430 | 6 | 2 | 4 | 5.4 | C[C@H](NC(=O)c1cc(Cl)cnc1Oc1cccc(Cl)c1)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2017.01.067 | |||
10339756 | 143083 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 380 | 12 | 3 | 4 | 3.9 | CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C(C)(C)C(=O)[C@@H]1C/C=C\CCCC(=O)O | nan | |||
CHEMBL3895324 | 143083 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 380 | 12 | 3 | 4 | 3.9 | CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C(C)(C)C(=O)[C@@H]1C/C=C\CCCC(=O)O | nan | |||
44409910 | 140907 | 0 | None | - | 0 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 477 | 11 | 2 | 4 | 5.4 | O=C(O)c1ccc(CCCN2C(=O)CC[C@@H]2CCC(O)Cc2cccc(-c3ccccc3)c2)s1 | 10.1016/j.bmcl.2006.01.018 | |||
CHEMBL382197 | 140907 | 0 | None | - | 0 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 477 | 11 | 2 | 4 | 5.4 | O=C(O)c1ccc(CCCN2C(=O)CC[C@@H]2CCC(O)Cc2cccc(-c3ccccc3)c2)s1 | 10.1016/j.bmcl.2006.01.018 | |||
9981458 | 143731 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 455 | 10 | 3 | 5 | 4.2 | CC1(C)C(=O)[C@H](C/C=C\CCCC(N)=O)[C@@H](/C=C/C(O)Cc2cc3ccccc3s2)[C@@H]1O | nan | |||
CHEMBL3900651 | 143731 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 455 | 10 | 3 | 5 | 4.2 | CC1(C)C(=O)[C@H](C/C=C\CCCC(N)=O)[C@@H](/C=C/C(O)Cc2cc3ccccc3s2)[C@@H]1O | nan | |||
118174968 | 136616 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 426 | 5 | 3 | 4 | 5.0 | Cc1cc(C(=O)O)cc(C)c1NC(=O)c1cc(-c2cccc(CO)c2)nc2ccccc12 | 10.1016/j.bmcl.2015.11.023 | |||
CHEMBL3739779 | 136616 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 426 | 5 | 3 | 4 | 5.0 | Cc1cc(C(=O)O)cc(C)c1NC(=O)c1cc(-c2cccc(CO)c2)nc2ccccc12 | 10.1016/j.bmcl.2015.11.023 | |||
10275911 | 76752 | 0 | None | - | 0 | Rat | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 453 | 14 | 2 | 4 | 5.2 | O=C(O)CCCCCCN1C(=O)CC[C@@H]1CCC(O)Cc1cccc(Oc2ccccc2)c1 | 10.1016/j.bmcl.2006.01.018 | |||
CHEMBL206774 | 76752 | 0 | None | - | 0 | Rat | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 453 | 14 | 2 | 4 | 5.2 | O=C(O)CCCCCCN1C(=O)CC[C@@H]1CCC(O)Cc1cccc(Oc2ccccc2)c1 | 10.1016/j.bmcl.2006.01.018 | |||
9820333 | 75369 | 0 | None | - | 0 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 361 | 12 | 2 | 3 | 3.4 | O=C(O)CCCCCCN1C(=O)CC[C@@H]1CCC(O)Cc1ccccc1 | 10.1016/j.bmcl.2006.01.018 | |||
CHEMBL203780 | 75369 | 0 | None | - | 0 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 361 | 12 | 2 | 3 | 3.4 | O=C(O)CCCCCCN1C(=O)CC[C@@H]1CCC(O)Cc1ccccc1 | 10.1016/j.bmcl.2006.01.018 | |||
58905379 | 155980 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 412 | 6 | 2 | 4 | 4.5 | CC(C)(NC(=O)c1cc(F)cnc1Oc1ccc(F)cc1)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2017.01.067 | |||
CHEMBL4061595 | 155980 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 412 | 6 | 2 | 4 | 4.5 | CC(C)(NC(=O)c1cc(F)cnc1Oc1ccc(F)cc1)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2017.01.067 | |||
118191092 | 137471 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 390 | 5 | 3 | 4 | 4.1 | Cc1ccc(-c2cccc(CO)c2)nc1C(=O)Nc1c(C)cc(C(=O)O)cc1C | 10.1016/j.bmcl.2015.12.057 | |||
CHEMBL3753835 | 137471 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 390 | 5 | 3 | 4 | 4.1 | Cc1ccc(-c2cccc(CO)c2)nc1C(=O)Nc1c(C)cc(C(=O)O)cc1C | 10.1016/j.bmcl.2015.12.057 | |||
118191081 | 136572 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 395 | 4 | 2 | 2 | 6.1 | Cc1ccc(C(=O)O)c(C)c1NC(=O)c1cc(-c2ccccc2)cc2ccccc12 | 10.1016/j.bmcl.2015.11.023 | |||
CHEMBL3739435 | 136572 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 395 | 4 | 2 | 2 | 6.1 | Cc1ccc(C(=O)O)c(C)c1NC(=O)c1cc(-c2ccccc2)cc2ccccc12 | 10.1016/j.bmcl.2015.11.023 | |||
89914524 | 122593 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 408 | 8 | 2 | 4 | 3.4 | O=C(O)c1ccc(C2(NC(=O)[C@H]3CCCCN3CCOc3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2015.05.091 | |||
CHEMBL3600788 | 122593 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 408 | 8 | 2 | 4 | 3.4 | O=C(O)c1ccc(C2(NC(=O)[C@H]3CCCCN3CCOc3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2015.05.091 | |||
CHEMBL3601973 | 122593 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 408 | 8 | 2 | 4 | 3.4 | O=C(O)c1ccc(C2(NC(=O)[C@H]3CCCCN3CCOc3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2015.05.091 | |||
118191093 | 137405 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 444 | 5 | 3 | 4 | 4.8 | Cc1ccc(C(=O)O)c(C)c1NC(=O)c1nc(-c2cccc(CO)c2)ccc1C(F)(F)F | 10.1016/j.bmcl.2015.12.057 | |||
CHEMBL3753286 | 137405 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 444 | 5 | 3 | 4 | 4.8 | Cc1ccc(C(=O)O)c(C)c1NC(=O)c1nc(-c2cccc(CO)c2)ccc1C(F)(F)F | 10.1016/j.bmcl.2015.12.057 | |||
44409717 | 77355 | 1 | None | - | 0 | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 445 | 13 | 2 | 4 | 4.3 | O=C(O)CCCCCCN1C(=O)CC[C@@H]1CC[C@@H](O)Cc1cccc(OC(F)(F)F)c1 | 10.1016/j.bmcl.2006.01.018 | |||
CHEMBL208510 | 77355 | 1 | None | - | 0 | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 445 | 13 | 2 | 4 | 4.3 | O=C(O)CCCCCCN1C(=O)CC[C@@H]1CC[C@@H](O)Cc1cccc(OC(F)(F)F)c1 | 10.1016/j.bmcl.2006.01.018 | |||
10409554 | 149519 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 414 | 11 | 3 | 4 | 3.9 | CC1(C)C(=O)[C@H](C/C=C\CCCC(=O)O)[C@@H](/C=C/C(O)CCc2ccccc2)[C@@H]1O | nan | |||
CHEMBL3946494 | 149519 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 414 | 11 | 3 | 4 | 3.9 | CC1(C)C(=O)[C@H](C/C=C\CCCC(=O)O)[C@@H](/C=C/C(O)CCc2ccccc2)[C@@H]1O | nan | |||
118190908 | 137400 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 389 | 5 | 3 | 3 | 4.7 | Cc1ccc(-c2cccc(CO)c2)cc1C(=O)Nc1c(C)ccc(C(=O)O)c1C | 10.1016/j.bmcl.2015.12.057 | |||
CHEMBL3753274 | 137400 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 389 | 5 | 3 | 3 | 4.7 | Cc1ccc(-c2cccc(CO)c2)cc1C(=O)Nc1c(C)ccc(C(=O)O)c1C | 10.1016/j.bmcl.2015.12.057 | |||
9934368 | 138919 | 11 | None | - | 1 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 469 | 10 | 2 | 4 | 4.8 | O=C(O)c1ccc(CCCN2C(=O)CC[C@@H]2CC[C@@H](O)Cc2cccc(C(F)(F)F)c2)s1 | 10.1021/jm9018756 | |||
CHEMBL378376 | 138919 | 11 | None | - | 1 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 469 | 10 | 2 | 4 | 4.8 | O=C(O)c1ccc(CCCN2C(=O)CC[C@@H]2CC[C@@H](O)Cc2cccc(C(F)(F)F)c2)s1 | 10.1021/jm9018756 | |||
9934368 | 138919 | 11 | None | - | 1 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 469 | 10 | 2 | 4 | 4.8 | O=C(O)c1ccc(CCCN2C(=O)CC[C@@H]2CC[C@@H](O)Cc2cccc(C(F)(F)F)c2)s1 | 10.1016/j.bmcl.2006.01.018 | |||
CHEMBL378376 | 138919 | 11 | None | - | 1 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 469 | 10 | 2 | 4 | 4.8 | O=C(O)c1ccc(CCCN2C(=O)CC[C@@H]2CC[C@@H](O)Cc2cccc(C(F)(F)F)c2)s1 | 10.1016/j.bmcl.2006.01.018 | |||
53319154 | 57702 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 582 | 10 | 1 | 4 | 7.2 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)Cc4ccccc4Cl)CC3)cc1C)C2 | 10.1016/j.bmcl.2010.12.014 | |||
CHEMBL1669015 | 57702 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 582 | 10 | 1 | 4 | 7.2 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)Cc4ccccc4Cl)CC3)cc1C)C2 | 10.1016/j.bmcl.2010.12.014 | |||
118191104 | 136671 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 425 | 5 | 3 | 3 | 5.6 | Cc1ccc(C(=O)O)c(C)c1NC(=O)c1cc(-c2cccc(CO)c2)cc2ccccc12 | 10.1016/j.bmcl.2015.12.057 | |||
CHEMBL3740223 | 136671 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 425 | 5 | 3 | 3 | 5.6 | Cc1ccc(C(=O)O)c(C)c1NC(=O)c1cc(-c2cccc(CO)c2)cc2ccccc12 | 10.1016/j.bmcl.2015.12.057 | |||
118191104 | 136671 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 425 | 5 | 3 | 3 | 5.6 | Cc1ccc(C(=O)O)c(C)c1NC(=O)c1cc(-c2cccc(CO)c2)cc2ccccc12 | 10.1016/j.bmcl.2015.11.023 | |||
CHEMBL3740223 | 136671 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 425 | 5 | 3 | 3 | 5.6 | Cc1ccc(C(=O)O)c(C)c1NC(=O)c1cc(-c2cccc(CO)c2)cc2ccccc12 | 10.1016/j.bmcl.2015.11.023 | |||
11524454 | 945 | 55 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 413 | 6 | 2 | 3 | 5.5 | Clc1ccc(c(c1)C(=O)N[C@H](c1ccc(cc1)C(=O)O)C)Oc1ccc(cc1)F | 10.1016/j.bmcl.2017.01.067 | |||
5857 | 945 | 55 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 413 | 6 | 2 | 3 | 5.5 | Clc1ccc(c(c1)C(=O)N[C@H](c1ccc(cc1)C(=O)O)C)Oc1ccc(cc1)F | 10.1016/j.bmcl.2017.01.067 | |||
CHEMBL591666 | 945 | 55 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 413 | 6 | 2 | 3 | 5.5 | Clc1ccc(c(c1)C(=O)N[C@H](c1ccc(cc1)C(=O)O)C)Oc1ccc(cc1)F | 10.1016/j.bmcl.2017.01.067 | |||
53325764 | 57703 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 622 | 12 | 2 | 6 | 6.2 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)Cc4cc(C(=O)O)ccc4OC)CC3)cc1C)C2 | 10.1016/j.bmcl.2010.12.014 | |||
CHEMBL1669016 | 57703 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 622 | 12 | 2 | 6 | 6.2 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)Cc4cc(C(=O)O)ccc4OC)CC3)cc1C)C2 | 10.1016/j.bmcl.2010.12.014 | |||
44409742 | 76191 | 0 | None | - | 0 | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 405 | 14 | 2 | 4 | 3.5 | COCc1cccc(C[C@H](O)CC[C@H]2CCC(=O)N2CCCCCCC(=O)O)c1 | 10.1016/j.bmcl.2006.01.018 | |||
CHEMBL205819 | 76191 | 0 | None | - | 0 | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 405 | 14 | 2 | 4 | 3.5 | COCc1cccc(C[C@H](O)CC[C@H]2CCC(=O)N2CCCCCCC(=O)O)c1 | 10.1016/j.bmcl.2006.01.018 | |||
25195248 | 182933 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 540 | 6 | 1 | 4 | 4.6 | CC12CCCC(/C=C/C(=O)NS(=O)(=O)c3cc(F)c(F)cc3F)=C1N(Cc1ccc(F)c(F)c1)C(=O)C2 | 10.1016/j.bmcl.2008.12.027 | |||
CHEMBL479263 | 182933 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | 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 | |||
89914863 | 122595 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 421 | 8 | 2 | 5 | 3.4 | C[C@H](NC(=O)[C@H]1CCCCN1CCOc1ccc(C#N)cc1)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2015.05.091 | |||
CHEMBL3600883 | 122595 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 421 | 8 | 2 | 5 | 3.4 | C[C@H](NC(=O)[C@H]1CCCCN1CCOc1ccc(C#N)cc1)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2015.05.091 | |||
CHEMBL3601984 | 122595 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 421 | 8 | 2 | 5 | 3.4 | C[C@H](NC(=O)[C@H]1CCCCN1CCOc1ccc(C#N)cc1)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2015.05.091 | |||
118191080 | 136861 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 395 | 4 | 2 | 2 | 6.1 | Cc1cc(C(=O)O)cc(C)c1NC(=O)c1cc(-c2ccccc2)cc2ccccc12 | 10.1016/j.bmcl.2015.11.023 | |||
CHEMBL3742015 | 136861 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 395 | 4 | 2 | 2 | 6.1 | Cc1cc(C(=O)O)cc(C)c1NC(=O)c1cc(-c2ccccc2)cc2ccccc12 | 10.1016/j.bmcl.2015.11.023 | |||
57401413 | 67848 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 455 | 4 | 2 | 3 | 5.8 | C[C@H](NC(=O)c1cccc2c1Oc1ccc(C(F)(F)F)cc1CC2)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2011.08.102 | |||
CHEMBL1910024 | 67848 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 455 | 4 | 2 | 3 | 5.8 | C[C@H](NC(=O)c1cccc2c1Oc1ccc(C(F)(F)F)cc1CC2)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2011.08.102 | |||
118174960 | 137418 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 394 | 4 | 2 | 3 | 5.3 | Cc1ccc(-c2cccc(Cl)c2)nc1C(=O)Nc1c(C)ccc(C(=O)O)c1C | 10.1016/j.bmcl.2015.12.057 | |||
CHEMBL3753372 | 137418 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 394 | 4 | 2 | 3 | 5.3 | Cc1ccc(-c2cccc(Cl)c2)nc1C(=O)Nc1c(C)ccc(C(=O)O)c1C | 10.1016/j.bmcl.2015.12.057 | |||
44570000 | 178648 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 544 | 7 | 2 | 5 | 6.2 | O=C(COc1cccc2[nH]cc(Cc3ccc4ccccc4c3)c12)NS(=O)(=O)c1cc(Cl)c(Cl)s1 | 10.1021/jm9005912 | |||
CHEMBL467632 | 178648 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 544 | 7 | 2 | 5 | 6.2 | O=C(COc1cccc2[nH]cc(Cc3ccc4ccccc4c3)c12)NS(=O)(=O)c1cc(Cl)c(Cl)s1 | 10.1021/jm9005912 | |||
44409737 | 77340 | 0 | None | - | 0 | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 451 | 10 | 2 | 4 | 4.9 | O=C(O)c1ccc(CCCN2C(=O)CC[C@@H]2CCC(O)Cc2ccc3ccccc3c2)s1 | 10.1016/j.bmcl.2006.01.018 | |||
CHEMBL208410 | 77340 | 0 | None | - | 0 | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 451 | 10 | 2 | 4 | 4.9 | O=C(O)c1ccc(CCCN2C(=O)CC[C@@H]2CCC(O)Cc2ccc3ccccc3c2)s1 | 10.1016/j.bmcl.2006.01.018 | |||
9981458 | 143731 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 455 | 10 | 3 | 5 | 4.2 | CC1(C)C(=O)[C@H](C/C=C\CCCC(N)=O)[C@@H](/C=C/C(O)Cc2cc3ccccc3s2)[C@@H]1O | nan | |||
CHEMBL3900651 | 143731 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 455 | 10 | 3 | 5 | 4.2 | CC1(C)C(=O)[C@H](C/C=C\CCCC(N)=O)[C@@H](/C=C/C(O)Cc2cc3ccccc3s2)[C@@H]1O | nan | |||
72695027 | 106264 | 0 | None | 28 | 2 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 396 | 8 | 2 | 4 | 3.5 | C[C@H](NC(=O)[C@H]1CCCCN1CCOc1ccccc1)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2015.05.091 | |||
CHEMBL3115074 | 106264 | 0 | None | 28 | 2 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 396 | 8 | 2 | 4 | 3.5 | C[C@H](NC(=O)[C@H]1CCCCN1CCOc1ccccc1)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2015.05.091 | |||
CHEMBL3138992 | 106264 | 0 | None | 28 | 2 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 396 | 8 | 2 | 4 | 3.5 | C[C@H](NC(=O)[C@H]1CCCCN1CCOc1ccccc1)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2015.05.091 | |||
11677589 | 1857 | 56 | None | -3 | 4 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 491 | 7 | 2 | 6 | 4.1 | CCc1nc2c(n1c1ccc(cc1)CCNC(=O)NS(=O)(=O)c1ccc(cc1)C)cc(nc2C)C | 10.1016/j.bmcl.2015.05.091 | |||
5858 | 1857 | 56 | None | -3 | 4 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 491 | 7 | 2 | 6 | 4.1 | CCc1nc2c(n1c1ccc(cc1)CCNC(=O)NS(=O)(=O)c1ccc(cc1)C)cc(nc2C)C | 10.1016/j.bmcl.2015.05.091 | |||
CHEMBL3039498 | 1857 | 56 | None | -3 | 4 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 491 | 7 | 2 | 6 | 4.1 | CCc1nc2c(n1c1ccc(cc1)CCNC(=O)NS(=O)(=O)c1ccc(cc1)C)cc(nc2C)C | 10.1016/j.bmcl.2015.05.091 | |||
DB12836 | 1857 | 56 | None | -3 | 4 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 491 | 7 | 2 | 6 | 4.1 | CCc1nc2c(n1c1ccc(cc1)CCNC(=O)NS(=O)(=O)c1ccc(cc1)C)cc(nc2C)C | 10.1016/j.bmcl.2015.05.091 | |||
44409907 | 77048 | 0 | None | - | 0 | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 419 | 10 | 2 | 4 | 3.9 | O=C(O)c1ccc(CCCN2C(=O)CC[C@@H]2CC[C@@H](O)Cc2ccc(F)cc2)s1 | 10.1016/j.bmcl.2006.01.018 | |||
CHEMBL207237 | 77048 | 0 | None | - | 0 | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 419 | 10 | 2 | 4 | 3.9 | O=C(O)c1ccc(CCCN2C(=O)CC[C@@H]2CC[C@@H](O)Cc2ccc(F)cc2)s1 | 10.1016/j.bmcl.2006.01.018 | |||
44409920 | 140363 | 0 | None | - | 0 | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 463 | 10 | 2 | 3 | 4.7 | O=C(O)c1ccc(CCCN2C(=O)CC[C@@H]2CC[C@@H](O)Cc2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2006.01.018 | |||
CHEMBL380839 | 140363 | 0 | None | - | 0 | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 463 | 10 | 2 | 3 | 4.7 | O=C(O)c1ccc(CCCN2C(=O)CC[C@@H]2CC[C@@H](O)Cc2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2006.01.018 | |||
10432730 | 147267 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 428 | 11 | 2 | 5 | 4.0 | COC(=O)CCC/C=C\C[C@H]1C(=O)C(C)(C)[C@@H](O)[C@@H]1/C=C/C(O)CCc1ccccc1 | nan | |||
CHEMBL3928703 | 147267 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 428 | 11 | 2 | 5 | 4.0 | COC(=O)CCC/C=C\C[C@H]1C(=O)C(C)(C)[C@@H](O)[C@@H]1/C=C/C(O)CCc1ccccc1 | nan | |||
89914526 | 122596 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 414 | 8 | 2 | 4 | 3.6 | C[C@H](NC(=O)[C@H]1CCCCN1CCOc1ccc(F)cc1)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2015.05.091 | |||
CHEMBL3600884 | 122596 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 414 | 8 | 2 | 4 | 3.6 | C[C@H](NC(=O)[C@H]1CCCCN1CCOc1ccc(F)cc1)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2015.05.091 | |||
CHEMBL3601985 | 122596 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 414 | 8 | 2 | 4 | 3.6 | C[C@H](NC(=O)[C@H]1CCCCN1CCOc1ccc(F)cc1)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2015.05.091 | |||
10409554 | 149519 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 414 | 11 | 3 | 4 | 3.9 | CC1(C)C(=O)[C@H](C/C=C\CCCC(=O)O)[C@@H](/C=C/C(O)CCc2ccccc2)[C@@H]1O | nan | |||
CHEMBL3946494 | 149519 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 414 | 11 | 3 | 4 | 3.9 | CC1(C)C(=O)[C@H](C/C=C\CCCC(=O)O)[C@@H](/C=C/C(O)CCc2ccccc2)[C@@H]1O | nan | |||
118175029 | 137379 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 393 | 5 | 3 | 3 | 4.6 | Cc1ccc(C(=O)O)c(C)c1NC(=O)c1cc(-c2cccc(CO)c2)ccc1F | 10.1016/j.bmcl.2015.12.057 | |||
CHEMBL3753133 | 137379 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 393 | 5 | 3 | 3 | 4.6 | Cc1ccc(C(=O)O)c(C)c1NC(=O)c1cc(-c2cccc(CO)c2)ccc1F | 10.1016/j.bmcl.2015.12.057 | |||
44571354 | 184067 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | 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 | 184067 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | 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 | |||
10046549 | 151733 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 400 | 10 | 3 | 4 | 3.6 | CC1(C)C(=O)[C@H](C/C=C\CCCC(=O)O)[C@@H](/C=C/C(O)Cc2ccccc2)[C@@H]1O | nan | |||
CHEMBL3964563 | 151733 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 400 | 10 | 3 | 4 | 3.6 | CC1(C)C(=O)[C@H](C/C=C\CCCC(=O)O)[C@@H](/C=C/C(O)Cc2ccccc2)[C@@H]1O | nan | |||
89914524 | 122593 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 408 | 8 | 2 | 4 | 3.4 | O=C(O)c1ccc(C2(NC(=O)[C@H]3CCCCN3CCOc3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2015.05.091 | |||
CHEMBL3600788 | 122593 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 408 | 8 | 2 | 4 | 3.4 | O=C(O)c1ccc(C2(NC(=O)[C@H]3CCCCN3CCOc3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2015.05.091 | |||
CHEMBL3601973 | 122593 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 408 | 8 | 2 | 4 | 3.4 | O=C(O)c1ccc(C2(NC(=O)[C@H]3CCCCN3CCOc3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2015.05.091 | |||
44570666 | 183268 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 522 | 6 | 1 | 4 | 4.5 | CC12CCCC(/C=C/C(=O)NS(=O)(=O)c3ccc(F)c(F)c3)=C1N(Cc1ccc(F)c(F)c1)C(=O)C2 | 10.1016/j.bmcl.2008.12.027 | |||
CHEMBL479664 | 183268 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | 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 | |||
25018911 | 57695 | 6 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 681 | 10 | 2 | 6 | 7.2 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)NS(=O)(=O)c4c(Cl)cccc4Cl)CC3)cc1C)C2 | 10.1016/j.bmcl.2015.12.057 | |||
CHEMBL1669008 | 57695 | 6 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 681 | 10 | 2 | 6 | 7.2 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)NS(=O)(=O)c4c(Cl)cccc4Cl)CC3)cc1C)C2 | 10.1016/j.bmcl.2015.12.057 | |||
25019697 | 57689 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 697 | 11 | 2 | 7 | 6.8 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)NS(=O)(=O)c4ccc(OC(F)(F)F)cc4)CC3)cc1C)C2 | 10.1016/j.bmcl.2010.12.014 | |||
CHEMBL1669002 | 57689 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 697 | 11 | 2 | 7 | 6.8 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)NS(=O)(=O)c4ccc(OC(F)(F)F)cc4)CC3)cc1C)C2 | 10.1016/j.bmcl.2010.12.014 | |||
11575201 | 157420 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 413 | 6 | 2 | 3 | 5.5 | C[C@H](NC(=O)c1cc(Cl)ccc1Oc1cccc(F)c1)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2017.01.067 | |||
CHEMBL4078648 | 157420 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 413 | 6 | 2 | 3 | 5.5 | C[C@H](NC(=O)c1cc(Cl)ccc1Oc1cccc(F)c1)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2017.01.067 | |||
25015836 | 57690 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 772 | 10 | 2 | 7 | 7.5 | Cc1cc(CC2(NC(=O)NS(=O)(=O)c3ccc4ccccc4c3)CC2)ccc1N1Cc2c(c(OCC(F)(F)F)c3cccnc3c2OCC(F)(F)F)C1=O | 10.1016/j.bmcl.2010.12.014 | |||
CHEMBL1669003 | 57690 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 772 | 10 | 2 | 7 | 7.5 | Cc1cc(CC2(NC(=O)NS(=O)(=O)c3ccc4ccccc4c3)CC2)ccc1N1Cc2c(c(OCC(F)(F)F)c3cccnc3c2OCC(F)(F)F)C1=O | 10.1016/j.bmcl.2010.12.014 | |||
44409918 | 165971 | 0 | None | - | 0 | Rat | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 435 | 10 | 2 | 4 | 4.4 | O=C(O)c1ccc(CCCN2C(=O)CC[C@@H]2CCC(O)Cc2ccc(Cl)cc2)s1 | 10.1016/j.bmcl.2006.01.018 | |||
CHEMBL425243 | 165971 | 0 | None | - | 0 | Rat | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 435 | 10 | 2 | 4 | 4.4 | O=C(O)c1ccc(CCCN2C(=O)CC[C@@H]2CCC(O)Cc2ccc(Cl)cc2)s1 | 10.1016/j.bmcl.2006.01.018 | |||
25019696 | 57711 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 631 | 10 | 2 | 6 | 6.0 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)NS(=O)(=O)c4ccc(F)cc4)CC3)cc1C)C2 | 10.1016/j.bmcl.2010.12.014 | |||
CHEMBL1669024 | 57711 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 631 | 10 | 2 | 6 | 6.0 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)NS(=O)(=O)c4ccc(F)cc4)CC3)cc1C)C2 | 10.1016/j.bmcl.2010.12.014 | |||
11296282 | 1408 | 32 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 590 | 6 | 1 | 5 | 7.3 | Clc1ccc(c(c1)Cl)Cn1cc(c2c1c(/C=C/C(=O)NS(=O)(=O)c1sc(c(c1)Cl)Cl)cc(c2)F)C | 10.1021/jm9005912 | |||
5822 | 1408 | 32 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 590 | 6 | 1 | 5 | 7.3 | Clc1ccc(c(c1)Cl)Cn1cc(c2c1c(/C=C/C(=O)NS(=O)(=O)c1sc(c(c1)Cl)Cl)cc(c2)F)C | 10.1021/jm9005912 | |||
CHEMBL565591 | 1408 | 32 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 590 | 6 | 1 | 5 | 7.3 | Clc1ccc(c(c1)Cl)Cn1cc(c2c1c(/C=C/C(=O)NS(=O)(=O)c1sc(c(c1)Cl)Cl)cc(c2)F)C | 10.1021/jm9005912 | |||
44626877 | 199000 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 490 | 6 | 1 | 5 | 5.6 | O=C(/C=C/c1cccc2ccn(Cc3ccc(Cl)cc3Cl)c12)NS(=O)(=O)c1cccs1 | 10.1021/jm9005912 | |||
CHEMBL585581 | 199000 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 490 | 6 | 1 | 5 | 5.6 | O=C(/C=C/c1cccc2ccn(Cc3ccc(Cl)cc3Cl)c12)NS(=O)(=O)c1cccs1 | 10.1021/jm9005912 | |||
9983881 | 144846 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 511 | 12 | 2 | 5 | 5.5 | CCN(CC)C(=O)CCC/C=C\C[C@H]1C(=O)C(C)(C)[C@@H](O)[C@@H]1/C=C/C(O)Cc1cc2ccccc2s1 | nan | |||
CHEMBL3909714 | 144846 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 511 | 12 | 2 | 5 | 5.5 | CCN(CC)C(=O)CCC/C=C\C[C@H]1C(=O)C(C)(C)[C@@H](O)[C@@H]1/C=C/C(O)Cc1cc2ccccc2s1 | nan | |||
46885735 | 8366 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 552 | 6 | 2 | 5 | 4.4 | O=C(/C=C/c1cccc2c1N(Cc1ccc3ccccc3c1)C(=O)C2O)NS(=O)(=O)c1cc(F)c(F)cc1F | 10.1016/j.bmcl.2010.02.028 | |||
CHEMBL1093125 | 8366 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 552 | 6 | 2 | 5 | 4.4 | O=C(/C=C/c1cccc2c1N(Cc1ccc3ccccc3c1)C(=O)C2O)NS(=O)(=O)c1cc(F)c(F)cc1F | 10.1016/j.bmcl.2010.02.028 | |||
89914844 | 122594 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 382 | 8 | 2 | 4 | 2.9 | O=C(O)c1ccc(CNC(=O)[C@H]2CCCCN2CCOc2ccccc2)cc1 | 10.1016/j.bmcl.2015.05.091 | |||
CHEMBL3600786 | 122594 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 382 | 8 | 2 | 4 | 2.9 | O=C(O)c1ccc(CNC(=O)[C@H]2CCCCN2CCOc2ccccc2)cc1 | 10.1016/j.bmcl.2015.05.091 | |||
CHEMBL3601983 | 122594 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 382 | 8 | 2 | 4 | 2.9 | O=C(O)c1ccc(CNC(=O)[C@H]2CCCCN2CCOc2ccccc2)cc1 | 10.1016/j.bmcl.2015.05.091 | |||
11683088 | 158976 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 414 | 6 | 2 | 4 | 4.9 | C[C@H](NC(=O)c1cc(Cl)cnc1Oc1ccc(F)cc1)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2017.01.067 | |||
CHEMBL4096216 | 158976 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 414 | 6 | 2 | 4 | 4.9 | C[C@H](NC(=O)c1cc(Cl)cnc1Oc1ccc(F)cc1)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2017.01.067 | |||
1883 | 3080 | 75 | None | -1 | 24 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1021/jm9018756 | |||
1916 | 3080 | 75 | None | -1 | 24 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1021/jm9018756 | |||
5280360 | 3080 | 75 | None | -1 | 24 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1021/jm9018756 | |||
913 | 3080 | 75 | None | -1 | 24 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1021/jm9018756 | |||
CHEMBL548 | 3080 | 75 | None | -1 | 24 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1021/jm9018756 | |||
DB00917 | 3080 | 75 | None | -1 | 24 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1021/jm9018756 | |||
11961366 | 150470 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 556 | 12 | 2 | 8 | 5.4 | COC(=O)CSCCCS[C@H]1C(=O)C(C)(C)[C@@H](O)[C@@H]1/C=C/C(O)CCc1sc2ccccc2c1Cl | nan | |||
CHEMBL3954286 | 150470 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 556 | 12 | 2 | 8 | 5.4 | COC(=O)CSCCCS[C@H]1C(=O)C(C)(C)[C@@H](O)[C@@H]1/C=C/C(O)CCc1sc2ccccc2c1Cl | nan | |||
57396660 | 71306 | 0 | None | 1819 | 2 | Mouse | 10.9 | pKi | = | 10.9 | Binding | ChEMBL | 544 | 10 | 2 | 6 | 5.9 | O=C(O)c1csc(SCCN2C(=O)CC[C@@H]2/C=C/[C@@H](O)Cc2cccc(-c3ccc4ccccc4c3)c2)n1 | 10.1016/j.bmc.2012.02.018 | |||
CHEMBL1957437 | 71306 | 0 | None | 1819 | 2 | Mouse | 10.9 | pKi | = | 10.9 | Binding | ChEMBL | 544 | 10 | 2 | 6 | 5.9 | O=C(O)c1csc(SCCN2C(=O)CC[C@@H]2/C=C/[C@@H](O)Cc2cccc(-c3ccc4ccccc4c3)c2)n1 | 10.1016/j.bmc.2012.02.018 | |||
57396660 | 71306 | 0 | None | 1819 | 2 | Mouse | 10.9 | pKi | = | 10.9 | Binding | ChEMBL | 544 | 10 | 2 | 6 | 5.9 | O=C(O)c1csc(SCCN2C(=O)CC[C@@H]2/C=C/[C@@H](O)Cc2cccc(-c3ccc4ccccc4c3)c2)n1 | 10.1016/j.bmc.2012.04.008 | |||
CHEMBL1957437 | 71306 | 0 | None | 1819 | 2 | Mouse | 10.9 | pKi | = | 10.9 | Binding | ChEMBL | 544 | 10 | 2 | 6 | 5.9 | O=C(O)c1csc(SCCN2C(=O)CC[C@@H]2/C=C/[C@@H](O)Cc2cccc(-c3ccc4ccccc4c3)c2)n1 | 10.1016/j.bmc.2012.04.008 | |||
44455046 | 95725 | 0 | None | 50118 | 2 | Human | 10.7 | pKi | = | 10.7 | Binding | ChEMBL | 413 | 8 | 2 | 3 | 3.7 | O=C(O)c1ccc(CCN2C(=O)CC[C@@H]2/C=C/[C@@H](O)Cc2cccc(Cl)c2)cc1 | 10.1016/j.bmcl.2007.11.020 | |||
CHEMBL258332 | 95725 | 0 | None | 50118 | 2 | Human | 10.7 | pKi | = | 10.7 | Binding | ChEMBL | 413 | 8 | 2 | 3 | 3.7 | O=C(O)c1ccc(CCN2C(=O)CC[C@@H]2/C=C/[C@@H](O)Cc2cccc(Cl)c2)cc1 | 10.1016/j.bmcl.2007.11.020 | |||
9821171 | 97864 | 0 | None | 51286 | 2 | Human | 10.3 | pKi | = | 10.3 | Binding | ChEMBL | 379 | 8 | 2 | 3 | 3.1 | O=C(O)c1ccc(CCN2C(=O)CC[C@@H]2/C=C/[C@@H](O)Cc2ccccc2)cc1 | 10.1016/j.bmcl.2007.11.020 | |||
CHEMBL272276 | 97864 | 0 | None | 51286 | 2 | Human | 10.3 | pKi | = | 10.3 | Binding | ChEMBL | 379 | 8 | 2 | 3 | 3.1 | O=C(O)c1ccc(CCN2C(=O)CC[C@@H]2/C=C/[C@@H](O)Cc2ccccc2)cc1 | 10.1016/j.bmcl.2007.11.020 | |||
72950929 | 146580 | 0 | None | - | 1 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 395 | 10 | 2 | 3 | 3.7 | CCCCC[C@H](O)/C=C/[C@H]1CC(F)(F)C(=O)N1CCc1ccc(C(=O)O)cc1 | nan | |||
CHEMBL3923027 | 146580 | 0 | None | - | 1 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 395 | 10 | 2 | 3 | 3.7 | CCCCC[C@H](O)/C=C/[C@H]1CC(F)(F)C(=O)N1CCc1ccc(C(=O)O)cc1 | nan | |||
12002527 | 75158 | 0 | None | 19952 | 2 | Mouse | 10.0 | pKi | = | 10 | Binding | ChEMBL | 493 | 12 | 2 | 5 | 5.1 | O=C(O)CCCSCCN1C(=O)CC[C@@H]1/C=C/[C@@H](O)Cc1cccc(-c2cc3ccccc3o2)c1 | 10.1016/j.bmc.2012.04.008 | |||
CHEMBL2036314 | 75158 | 0 | None | 19952 | 2 | Mouse | 10.0 | pKi | = | 10 | Binding | ChEMBL | 493 | 12 | 2 | 5 | 5.1 | O=C(O)CCCSCCN1C(=O)CC[C@@H]1/C=C/[C@@H](O)Cc1cccc(-c2cc3ccccc3o2)c1 | 10.1016/j.bmc.2012.04.008 | |||
72948663 | 145732 | 0 | None | - | 1 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 415 | 11 | 2 | 4 | 4.1 | CCCCC[C@H](O)/C=C/[C@H]1CC(F)(F)C(=O)N1CCCc1ccc(C(=O)O)s1 | nan | |||
CHEMBL3916499 | 145732 | 0 | None | - | 1 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 415 | 11 | 2 | 4 | 4.1 | CCCCC[C@H](O)/C=C/[C@H]1CC(F)(F)C(=O)N1CCCc1ccc(C(=O)O)s1 | nan | |||
1883 | 3080 | 75 | None | -1 | 24 | Human | 10.0 | pKi | = | 10.0 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1021/acs.jmedchem.9b00336 | |||
1916 | 3080 | 75 | None | -1 | 24 | Human | 10.0 | pKi | = | 10.0 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1021/acs.jmedchem.9b00336 | |||
5280360 | 3080 | 75 | None | -1 | 24 | Human | 10.0 | pKi | = | 10.0 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1021/acs.jmedchem.9b00336 | |||
913 | 3080 | 75 | None | -1 | 24 | Human | 10.0 | pKi | = | 10.0 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1021/acs.jmedchem.9b00336 | |||
CHEMBL548 | 3080 | 75 | None | -1 | 24 | Human | 10.0 | pKi | = | 10.0 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1021/acs.jmedchem.9b00336 | |||
DB00917 | 3080 | 75 | None | -1 | 24 | Human | 10.0 | pKi | = | 10.0 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1021/acs.jmedchem.9b00336 | |||
44453566 | 95392 | 0 | None | - | 1 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 645 | 12 | 1 | 9 | 4.9 | CCOc1c2c(c(OCC)c3ncccc13)CN(c1ccc(CS(=O)(=O)NC(=O)Cc3c(OC)cccc3C(C)=O)cc1C)C2=O | 10.1016/j.bmcl.2008.01.103 | |||
CHEMBL256873 | 95392 | 0 | None | - | 1 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 645 | 12 | 1 | 9 | 4.9 | CCOc1c2c(c(OCC)c3ncccc13)CN(c1ccc(CS(=O)(=O)NC(=O)Cc3c(OC)cccc3C(C)=O)cc1C)C2=O | 10.1016/j.bmcl.2008.01.103 | |||
57464006 | 75166 | 0 | None | 17 | 4 | Mouse | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 534 | 10 | 2 | 7 | 5.5 | O=C(O)c1csc(SCCN2C(=O)CC[C@@H]2/C=C/[C@@H](O)Cc2cccc(-c3cc4ccccc4o3)c2)n1 | 10.1016/j.bmc.2012.04.008 | |||
CHEMBL2036322 | 75166 | 0 | None | 17 | 4 | Mouse | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 534 | 10 | 2 | 7 | 5.5 | O=C(O)c1csc(SCCN2C(=O)CC[C@@H]2/C=C/[C@@H](O)Cc2cccc(-c3cc4ccccc4o3)c2)n1 | 10.1016/j.bmc.2012.04.008 | |||
57893848 | 75167 | 0 | None | 234 | 2 | Mouse | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 535 | 10 | 2 | 8 | 4.9 | O=C(O)c1csc(SCCN2C(=O)CC[C@@H]2/C=C/[C@@H](O)Cc2cccc(-c3nc4ccccc4o3)c2)n1 | 10.1016/j.bmc.2012.04.008 | |||
CHEMBL2036323 | 75167 | 0 | None | 234 | 2 | Mouse | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 535 | 10 | 2 | 8 | 4.9 | O=C(O)c1csc(SCCN2C(=O)CC[C@@H]2/C=C/[C@@H](O)Cc2cccc(-c3nc4ccccc4o3)c2)n1 | 10.1016/j.bmc.2012.04.008 | |||
72950425 | 143048 | 0 | None | - | 1 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 419 | 8 | 2 | 3 | 3.5 | CCC#CC[C@H](C)[C@H](O)/C=C/[C@H]1CC(F)(F)C(=O)N1CCc1ccc(C(=O)O)cc1 | nan | |||
CHEMBL3895047 | 143048 | 0 | None | - | 1 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 419 | 8 | 2 | 3 | 3.5 | CCC#CC[C@H](C)[C@H](O)/C=C/[C@H]1CC(F)(F)C(=O)N1CCc1ccc(C(=O)O)cc1 | nan | |||
5283086 | 203308 | 24 | None | 21 | 5 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O | nan | |||
CHEMBL64804 | 203308 | 24 | None | 21 | 5 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O | nan | |||
10076580 | 75287 | 0 | None | 158 | 3 | Mouse | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 563 | 10 | 2 | 8 | 5.5 | Cc1cc(C)c2oc(-c3cccc(C[C@H](O)/C=C/[C@H]4CCC(=O)N4CCSc4nc(C(=O)O)cs4)c3)nc2c1 | 10.1016/j.bmc.2012.04.008 | |||
CHEMBL2037291 | 75287 | 0 | None | 158 | 3 | Mouse | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 563 | 10 | 2 | 8 | 5.5 | Cc1cc(C)c2oc(-c3cccc(C[C@H](O)/C=C/[C@H]4CCC(=O)N4CCSc4nc(C(=O)O)cs4)c3)nc2c1 | 10.1016/j.bmc.2012.04.008 | |||
58932683 | 75285 | 0 | None | 354 | 3 | Mouse | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 549 | 10 | 2 | 8 | 5.2 | Cc1ccc2nc(-c3cccc(C[C@H](O)/C=C/[C@H]4CCC(=O)N4CCSc4nc(C(=O)O)cs4)c3)oc2c1 | 10.1016/j.bmc.2012.04.008 | |||
CHEMBL2037289 | 75285 | 0 | None | 354 | 3 | Mouse | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 549 | 10 | 2 | 8 | 5.2 | Cc1ccc2nc(-c3cccc(C[C@H](O)/C=C/[C@H]4CCC(=O)N4CCSc4nc(C(=O)O)cs4)c3)oc2c1 | 10.1016/j.bmc.2012.04.008 | |||
1883 | 3080 | 75 | None | -1 | 24 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.ejmech.2013.01.044 | |||
1916 | 3080 | 75 | None | -1 | 24 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.ejmech.2013.01.044 | |||
5280360 | 3080 | 75 | None | -1 | 24 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.ejmech.2013.01.044 | |||
913 | 3080 | 75 | None | -1 | 24 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.ejmech.2013.01.044 | |||
CHEMBL548 | 3080 | 75 | None | -1 | 24 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.ejmech.2013.01.044 | |||
DB00917 | 3080 | 75 | None | -1 | 24 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.ejmech.2013.01.044 | |||
57894053 | 75168 | 0 | None | 79 | 3 | Mouse | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 551 | 10 | 2 | 8 | 5.4 | O=C(O)c1csc(SCCN2C(=O)CC[C@@H]2/C=C/[C@@H](O)Cc2cccc(-c3nc4ccccc4s3)c2)n1 | 10.1016/j.bmc.2012.04.008 | |||
CHEMBL2036324 | 75168 | 0 | None | 79 | 3 | Mouse | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 551 | 10 | 2 | 8 | 5.4 | O=C(O)c1csc(SCCN2C(=O)CC[C@@H]2/C=C/[C@@H](O)Cc2cccc(-c3nc4ccccc4s3)c2)n1 | 10.1016/j.bmc.2012.04.008 | |||
53316600 | 56885 | 0 | None | - | 1 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 500 | 8 | 1 | 4 | 5.8 | COc1ccccc1CC(=O)NCCc1ccc(-c2c(C(=O)N(C)C)sc3c(C)cc(C)cc23)cc1 | 10.1016/j.bmcl.2010.11.118 | |||
CHEMBL1644016 | 56885 | 0 | None | - | 1 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 500 | 8 | 1 | 4 | 5.8 | COc1ccccc1CC(=O)NCCc1ccc(-c2c(C(=O)N(C)C)sc3c(C)cc(C)cc23)cc1 | 10.1016/j.bmcl.2010.11.118 | |||
72950089 | 150589 | 0 | None | 1621 | 3 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 375 | 13 | 2 | 3 | 3.8 | CCCCC[C@H](O)/C=C/[C@H]1CC(F)(F)C(=O)N1CCCCCCC(=O)O | 10.1021/acs.jmedchem.9b00336 | |||
CHEMBL3955128 | 150589 | 0 | None | 1621 | 3 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 375 | 13 | 2 | 3 | 3.8 | CCCCC[C@H](O)/C=C/[C@H]1CC(F)(F)C(=O)N1CCCCCCC(=O)O | 10.1021/acs.jmedchem.9b00336 | |||
57894092 | 75156 | 0 | None | 8511 | 3 | Mouse | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 494 | 12 | 2 | 6 | 4.5 | O=C(O)CCCSCCN1C(=O)CC[C@@H]1/C=C/[C@@H](O)Cc1cccc(-c2nc3ccccc3o2)c1 | 10.1016/j.bmc.2012.04.008 | |||
CHEMBL2036312 | 75156 | 0 | None | 8511 | 3 | Mouse | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 494 | 12 | 2 | 6 | 4.5 | O=C(O)CCCSCCN1C(=O)CC[C@@H]1/C=C/[C@@H](O)Cc1cccc(-c2nc3ccccc3o2)c1 | 10.1016/j.bmc.2012.04.008 | |||
10348006 | 75288 | 0 | None | 338 | 3 | Mouse | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 569 | 10 | 2 | 8 | 5.5 | O=C(O)c1csc(SCCN2C(=O)CC[C@@H]2/C=C/[C@@H](O)Cc2cccc(-c3nc4cc(Cl)ccc4o3)c2)n1 | 10.1016/j.bmc.2012.04.008 | |||
CHEMBL2037292 | 75288 | 0 | None | 338 | 3 | Mouse | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 569 | 10 | 2 | 8 | 5.5 | O=C(O)c1csc(SCCN2C(=O)CC[C@@H]2/C=C/[C@@H](O)Cc2cccc(-c3nc4cc(Cl)ccc4o3)c2)n1 | 10.1016/j.bmc.2012.04.008 | |||
15948558 | 97429 | 0 | None | - | 1 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 657 | 11 | 1 | 8 | 5.6 | CCOc1c2c(c(OCC)c3ncccc13)CN(c1ccc(CS(=O)(=O)NC(=O)Cc3ccccc3OC(F)(F)F)cc1C)C2=O | 10.1016/j.bmcl.2008.01.103 | |||
CHEMBL269987 | 97429 | 0 | None | - | 1 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 657 | 11 | 1 | 8 | 5.6 | CCOc1c2c(c(OCC)c3ncccc13)CN(c1ccc(CS(=O)(=O)NC(=O)Cc3ccccc3OC(F)(F)F)cc1C)C2=O | 10.1016/j.bmcl.2008.01.103 | |||
58932681 | 75170 | 0 | None | 100 | 3 | Mouse | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 549 | 10 | 2 | 8 | 5.2 | Cc1ccc2oc(-c3cccc(C[C@H](O)/C=C/[C@H]4CCC(=O)N4CCSc4nc(C(=O)O)cs4)c3)nc2c1 | 10.1016/j.bmc.2012.04.008 | |||
CHEMBL2036326 | 75170 | 0 | None | 100 | 3 | Mouse | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 549 | 10 | 2 | 8 | 5.2 | Cc1ccc2oc(-c3cccc(C[C@H](O)/C=C/[C@H]4CCC(=O)N4CCSc4nc(C(=O)O)cs4)c3)nc2c1 | 10.1016/j.bmc.2012.04.008 | |||
58932678 | 75286 | 0 | None | 104 | 3 | Mouse | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 549 | 10 | 2 | 8 | 5.2 | Cc1cccc2oc(-c3cccc(C[C@H](O)/C=C/[C@H]4CCC(=O)N4CCSc4nc(C(=O)O)cs4)c3)nc12 | 10.1016/j.bmc.2012.04.008 | |||
CHEMBL2037290 | 75286 | 0 | None | 104 | 3 | Mouse | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 549 | 10 | 2 | 8 | 5.2 | Cc1cccc2oc(-c3cccc(C[C@H](O)/C=C/[C@H]4CCC(=O)N4CCSc4nc(C(=O)O)cs4)c3)nc12 | 10.1016/j.bmc.2012.04.008 | |||
72950089 | 150589 | 0 | None | 1621 | 3 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 375 | 13 | 2 | 3 | 3.8 | CCCCC[C@H](O)/C=C/[C@H]1CC(F)(F)C(=O)N1CCCCCCC(=O)O | nan | |||
CHEMBL3955128 | 150589 | 0 | None | 1621 | 3 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 375 | 13 | 2 | 3 | 3.8 | CCCCC[C@H](O)/C=C/[C@H]1CC(F)(F)C(=O)N1CCCCCCC(=O)O | nan | |||
25003075 | 6836 | 18 | None | 5888 | 7 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 478 | 6 | 2 | 3 | 5.8 | O=C(O)c1ccc(C2(NC(=O)c3cccc4ccn(Cc5ccc(C(F)(F)F)cc5)c34)CC2)cc1 | 10.1016/j.bmcl.2010.04.065 | |||
CHEMBL1084009 | 6836 | 18 | None | 5888 | 7 | Human | 9.6 | pKi | = | 9.6 | 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 | |||
44453376 | 95116 | 0 | None | - | 1 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 572 | 10 | 1 | 6 | 5.3 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CS(=O)(=O)NC(=O)Cc3ccccc3)cc1C)C2 | 10.1016/j.bmcl.2008.01.103 | |||
CHEMBL255527 | 95116 | 0 | None | - | 1 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 572 | 10 | 1 | 6 | 5.3 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CS(=O)(=O)NC(=O)Cc3ccccc3)cc1C)C2 | 10.1016/j.bmcl.2008.01.103 | |||
10348321 | 75169 | 0 | None | 87 | 3 | Mouse | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 585 | 10 | 2 | 8 | 6.0 | O=C(O)c1csc(SCCN2C(=O)CC[C@@H]2/C=C/[C@@H](O)Cc2cccc(-c3nc4cc(Cl)ccc4s3)c2)n1 | 10.1016/j.bmc.2012.04.008 | |||
CHEMBL2036325 | 75169 | 0 | None | 87 | 3 | Mouse | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 585 | 10 | 2 | 8 | 6.0 | O=C(O)c1csc(SCCN2C(=O)CC[C@@H]2/C=C/[C@@H](O)Cc2cccc(-c3nc4cc(Cl)ccc4s3)c2)n1 | 10.1016/j.bmc.2012.04.008 | |||
15948554 | 83240 | 0 | None | - | 1 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 607 | 10 | 1 | 7 | 5.3 | CCOc1c2c(c(OCC)c3ncccc13)CN(c1ccc(CS(=O)(=O)NC(=O)Cc3ccccc3Cl)cc1C)C2=O | 10.1016/j.bmcl.2008.01.103 | |||
CHEMBL218699 | 83240 | 0 | None | - | 1 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 607 | 10 | 1 | 7 | 5.3 | CCOc1c2c(c(OCC)c3ncccc13)CN(c1ccc(CS(=O)(=O)NC(=O)Cc3ccccc3Cl)cc1C)C2=O | 10.1016/j.bmcl.2008.01.103 | |||
15947546 | 95190 | 0 | None | - | 1 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 617 | 12 | 1 | 8 | 5.1 | CCOc1ccccc1CC(=O)NS(=O)(=O)Cc1ccc(N2Cc3c(c(OCC)c4cccnc4c3OCC)C2=O)c(C)c1 | 10.1016/j.bmcl.2008.01.103 | |||
CHEMBL255906 | 95190 | 0 | None | - | 1 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 617 | 12 | 1 | 8 | 5.1 | CCOc1ccccc1CC(=O)NS(=O)(=O)Cc1ccc(N2Cc3c(c(OCC)c4cccnc4c3OCC)C2=O)c(C)c1 | 10.1016/j.bmcl.2008.01.103 | |||
15947337 | 97886 | 0 | None | - | 1 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 641 | 10 | 1 | 7 | 6.0 | CCOc1c2c(c(OCC)c3ncccc13)CN(c1ccc(CS(=O)(=O)NC(=O)Cc3c(Cl)cccc3Cl)cc1C)C2=O | 10.1016/j.bmcl.2008.01.103 | |||
CHEMBL272363 | 97886 | 0 | None | - | 1 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 641 | 10 | 1 | 7 | 6.0 | CCOc1c2c(c(OCC)c3ncccc13)CN(c1ccc(CS(=O)(=O)NC(=O)Cc3c(Cl)cccc3Cl)cc1C)C2=O | 10.1016/j.bmcl.2008.01.103 | |||
53317509 | 57102 | 0 | None | - | 1 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 476 | 7 | 2 | 3 | 6.1 | C[C@H](NC(=O)c1cccc2c1N(Cc1ccc(-c3ccccc3)cc1)CC2)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2010.10.106 | |||
CHEMBL1645141 | 57102 | 0 | None | - | 1 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 476 | 7 | 2 | 3 | 6.1 | C[C@H](NC(=O)c1cccc2c1N(Cc1ccc(-c3ccccc3)cc1)CC2)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2010.10.106 | |||
57893867 | 75155 | 0 | None | 12302 | 2 | Mouse | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 492 | 12 | 3 | 4 | 4.9 | O=C(O)CCCSCCN1C(=O)CC[C@@H]1/C=C/[C@@H](O)Cc1cccc(-c2ccc3[nH]ccc3c2)c1 | 10.1016/j.bmc.2012.04.008 | |||
CHEMBL2036311 | 75155 | 0 | None | 12302 | 2 | Mouse | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 492 | 12 | 3 | 4 | 4.9 | O=C(O)CCCSCCN1C(=O)CC[C@@H]1/C=C/[C@@H](O)Cc1cccc(-c2ccc3[nH]ccc3c2)c1 | 10.1016/j.bmc.2012.04.008 | |||
72948479 | 153031 | 0 | None | - | 1 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 491 | 12 | 2 | 4 | 5.2 | C[C@@H](CCCc1ccccc1)[C@H](O)/C=C/[C@H]1CC(F)(F)C(=O)N1CCCc1ccc(C(=O)O)s1 | nan | |||
CHEMBL3975743 | 153031 | 0 | None | - | 1 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 491 | 12 | 2 | 4 | 5.2 | C[C@@H](CCCc1ccccc1)[C@H](O)/C=C/[C@H]1CC(F)(F)C(=O)N1CCCc1ccc(C(=O)O)s1 | nan | |||
18444619 | 110817 | 0 | None | - | 1 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 526 | 9 | 2 | 6 | 5.9 | Cc1ccccc1S(=O)(=O)NC(=O)c1cc(CNc2ccc(-c3ccc(OC(F)F)cc3)cc2)c(C)o1 | 10.1016/j.bmcl.2014.02.068 | |||
CHEMBL3260768 | 110817 | 0 | None | - | 1 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 526 | 9 | 2 | 6 | 5.9 | Cc1ccccc1S(=O)(=O)NC(=O)c1cc(CNc2ccc(-c3ccc(OC(F)F)cc3)cc2)c(C)o1 | 10.1016/j.bmcl.2014.02.068 | |||
9894720 | 68297 | 11 | None | 2 | 2 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 588 | 9 | 1 | 5 | 7.7 | O=C(NS(=O)(=O)Cc1ccccc1)c1cccc(C[C@@H]2CCCC=C2c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1 | 10.1021/jm050085k | |||
CHEMBL191638 | 68297 | 11 | None | 2 | 2 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 588 | 9 | 1 | 5 | 7.7 | O=C(NS(=O)(=O)Cc1ccccc1)c1cccc(C[C@@H]2CCCC=C2c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1 | 10.1021/jm050085k | |||
10120328 | 95095 | 0 | None | - | 1 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 558 | 10 | 1 | 6 | 5.0 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CS(=O)(=O)NC(=O)Cc3ccccc3)cc1)C2 | 10.1016/j.bmcl.2008.01.103 | |||
CHEMBL255422 | 95095 | 0 | None | - | 1 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 558 | 10 | 1 | 6 | 5.0 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CS(=O)(=O)NC(=O)Cc3ccccc3)cc1)C2 | 10.1016/j.bmcl.2008.01.103 | |||
25002382 | 7393 | 0 | None | 1819 | 2 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 512 | 6 | 2 | 3 | 6.5 | O=C(O)c1ccc(C2(NC(=O)c3cc(Cl)cc4ccn(Cc5ccc(C(F)(F)F)cc5)c34)CC2)cc1 | 10.1016/j.bmcl.2010.04.065 | |||
CHEMBL1086490 | 7393 | 0 | None | 1819 | 2 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 512 | 6 | 2 | 3 | 6.5 | O=C(O)c1ccc(C2(NC(=O)c3cc(Cl)cc4ccn(Cc5ccc(C(F)(F)F)cc5)c34)CC2)cc1 | 10.1016/j.bmcl.2010.04.065 | |||
15947640 | 95484 | 0 | None | - | 1 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 639 | 12 | 1 | 8 | 5.3 | CCOc1c2c(c(OCC)c3ncccc13)CN(c1ccc(CS(=O)(=O)NC(=O)Cc3ccccc3OC(F)F)cc1C)C2=O | 10.1016/j.bmcl.2008.01.103 | |||
CHEMBL257255 | 95484 | 0 | None | - | 1 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 639 | 12 | 1 | 8 | 5.3 | CCOc1c2c(c(OCC)c3ncccc13)CN(c1ccc(CS(=O)(=O)NC(=O)Cc3ccccc3OC(F)F)cc1C)C2=O | 10.1016/j.bmcl.2008.01.103 | |||
53320541 | 56874 | 0 | None | - | 1 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 576 | 8 | 1 | 6 | 5.6 | COc1ccccc1C1(C(=O)NS(=O)(=O)Cc2ccc(-c3c(C(=O)N(C)C)sc4c(C)cc(C)cc34)cc2)CC1 | 10.1016/j.bmcl.2010.11.118 | |||
CHEMBL1644006 | 56874 | 0 | None | - | 1 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 576 | 8 | 1 | 6 | 5.6 | COc1ccccc1C1(C(=O)NS(=O)(=O)Cc2ccc(-c3c(C(=O)N(C)C)sc4c(C)cc(C)cc34)cc2)CC1 | 10.1016/j.bmcl.2010.11.118 | |||
23660678 | 57103 | 0 | None | - | 1 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 556 | 6 | 2 | 3 | 6.0 | C[C@H](NC(=O)c1cccc2c1N(Cc1cc(Br)cc(Br)c1)CC2)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2010.10.106 | |||
CHEMBL1645142 | 57103 | 0 | None | - | 1 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 556 | 6 | 2 | 3 | 6.0 | C[C@H](NC(=O)c1cccc2c1N(Cc1cc(Br)cc(Br)c1)CC2)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2010.10.106 | |||
23661189 | 57095 | 0 | None | - | 1 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 468 | 6 | 2 | 3 | 5.7 | C[C@H](NC(=O)c1cccc2c1N(Cc1ccc(Cl)c(Cl)c1)CC2)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2010.10.106 | |||
CHEMBL1645134 | 57095 | 0 | None | - | 1 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 468 | 6 | 2 | 3 | 5.7 | C[C@H](NC(=O)c1cccc2c1N(Cc1ccc(Cl)c(Cl)c1)CC2)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2010.10.106 | |||
25003075 | 6836 | 18 | None | 5888 | 7 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 478 | 6 | 2 | 3 | 5.8 | O=C(O)c1ccc(C2(NC(=O)c3cccc4ccn(Cc5ccc(C(F)(F)F)cc5)c34)CC2)cc1 | 10.1016/j.bmcl.2010.04.065 | |||
CHEMBL1084009 | 6836 | 18 | None | 5888 | 7 | Human | 9.5 | pKi | = | 9.5 | 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 | |||
10481859 | 75165 | 0 | None | 4 | 3 | Mouse | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 522 | 10 | 2 | 6 | 5.4 | Cc1ccc(-c2cccc(C[C@H](O)/C=C/[C@H]3CCC(=O)N3CCSc3nc(C(=O)O)cs3)c2)cc1C | 10.1016/j.bmc.2012.04.008 | |||
CHEMBL2036321 | 75165 | 0 | None | 4 | 3 | Mouse | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 522 | 10 | 2 | 6 | 5.4 | Cc1ccc(-c2cccc(C[C@H](O)/C=C/[C@H]3CCC(=O)N3CCSc3nc(C(=O)O)cs3)c2)cc1C | 10.1016/j.bmc.2012.04.008 | |||
15948789 | 97911 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 631 | 11 | 1 | 8 | 5.5 | COc1ccccc1CC(=O)NS(=O)(=O)Cc1ccc(N2Cc3c(c(OC(C)C)c4cccnc4c3OC(C)C)C2=O)c(C)c1 | 10.1016/j.bmcl.2008.01.103 | |||
CHEMBL272498 | 97911 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 631 | 11 | 1 | 8 | 5.5 | COc1ccccc1CC(=O)NS(=O)(=O)Cc1ccc(N2Cc3c(c(OC(C)C)c4cccnc4c3OC(C)C)C2=O)c(C)c1 | 10.1016/j.bmcl.2008.01.103 | |||
57893891 | 75157 | 0 | None | 1995 | 2 | Mouse | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 510 | 12 | 2 | 6 | 5.0 | O=C(O)CCCSCCN1C(=O)CC[C@@H]1/C=C/[C@@H](O)Cc1cccc(-c2nc3ccccc3s2)c1 | 10.1016/j.bmc.2012.04.008 | |||
CHEMBL2036313 | 75157 | 0 | None | 1995 | 2 | Mouse | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 510 | 12 | 2 | 6 | 5.0 | O=C(O)CCCSCCN1C(=O)CC[C@@H]1/C=C/[C@@H](O)Cc1cccc(-c2nc3ccccc3s2)c1 | 10.1016/j.bmc.2012.04.008 | |||
10189261 | 95254 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 618 | 12 | 1 | 8 | 5.0 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CS(=O)(=O)NC(=O)Cc3cc(OC)ccc3OC)cc1)C2 | 10.1016/j.bmcl.2008.01.103 | |||
CHEMBL256220 | 95254 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 618 | 12 | 1 | 8 | 5.0 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CS(=O)(=O)NC(=O)Cc3cc(OC)ccc3OC)cc1)C2 | 10.1016/j.bmcl.2008.01.103 | |||
23660841 | 57098 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 468 | 6 | 2 | 3 | 5.5 | C[C@H](NC(=O)c1cccc2c1N(Cc1ccc(C(F)(F)F)cc1)CC2)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2010.10.106 | |||
CHEMBL1645137 | 57098 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 468 | 6 | 2 | 3 | 5.5 | C[C@H](NC(=O)c1cccc2c1N(Cc1ccc(C(F)(F)F)cc1)CC2)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2010.10.106 | |||
53323050 | 57116 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 486 | 6 | 2 | 3 | 5.6 | C[C@H](NC(=O)c1cc(F)cc2c1N(Cc1ccc(C(F)(F)F)cc1)CC2)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2010.10.106 | |||
CHEMBL1645155 | 57116 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 486 | 6 | 2 | 3 | 5.6 | C[C@H](NC(=O)c1cc(F)cc2c1N(Cc1ccc(C(F)(F)F)cc1)CC2)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2010.10.106 | |||
12521 | 2195 | 0 | None | -1 | 4 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 399 | 11 | 2 | 3 | 3.6 | FC1(C(N([C@H](C1)/C=C/[C@H]([C@H](CC#CCC)C)O)CCCCCCC(=O)O)=O)F | 10.1021/acs.jmedchem.9b00336 | |||
72722131 | 2195 | 0 | None | -1 | 4 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 399 | 11 | 2 | 3 | 3.6 | FC1(C(N([C@H](C1)/C=C/[C@H]([C@H](CC#CCC)C)O)CCCCCCC(=O)O)=O)F | 10.1021/acs.jmedchem.9b00336 | |||
CHEMBL3918816 | 2195 | 0 | None | -1 | 4 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 399 | 11 | 2 | 3 | 3.6 | FC1(C(N([C@H](C1)/C=C/[C@H]([C@H](CC#CCC)C)O)CCCCCCC(=O)O)=O)F | 10.1021/acs.jmedchem.9b00336 | |||
44453656 | 95246 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 574 | 11 | 1 | 7 | 4.8 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CS(=O)(=O)NC(=O)COc3ccccc3)cc1)C2 | 10.1016/j.bmcl.2008.01.103 | |||
CHEMBL256183 | 95246 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 574 | 11 | 1 | 7 | 4.8 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CS(=O)(=O)NC(=O)COc3ccccc3)cc1)C2 | 10.1016/j.bmcl.2008.01.103 | |||
15947448 | 97651 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 711 | 11 | 1 | 8 | 5.8 | COc1ccccc1CC(=O)NS(=O)(=O)Cc1ccc(N2Cc3c(c(OCC(F)(F)F)c4cccnc4c3OCC(F)(F)F)C2=O)c(C)c1 | 10.1016/j.bmcl.2008.01.103 | |||
CHEMBL271095 | 97651 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 711 | 11 | 1 | 8 | 5.8 | COc1ccccc1CC(=O)NS(=O)(=O)Cc1ccc(N2Cc3c(c(OCC(F)(F)F)c4cccnc4c3OCC(F)(F)F)C2=O)c(C)c1 | 10.1016/j.bmcl.2008.01.103 | |||
11744126 | 69366 | 0 | None | 1174 | 2 | Mouse | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 443 | 11 | 2 | 3 | 5.0 | O=C(O)CCCCCCN1C(=S)CC[C@@H]1/C=C/[C@@H](O)Cc1cccc(C(F)(F)F)c1 | 10.1016/j.bmc.2011.12.009 | |||
CHEMBL1929548 | 69366 | 0 | None | 1174 | 2 | Mouse | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 443 | 11 | 2 | 3 | 5.0 | O=C(O)CCCCCCN1C(=S)CC[C@@H]1/C=C/[C@@H](O)Cc1cccc(C(F)(F)F)c1 | 10.1016/j.bmc.2011.12.009 | |||
46890658 | 6956 | 0 | None | 128 | 2 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 516 | 7 | 2 | 4 | 6.4 | C[C@H](NC(=O)c1cccc2ccn(Cc3cc(Cl)cc(OC(F)(F)F)c3)c12)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2010.04.065 | |||
CHEMBL1084552 | 6956 | 0 | None | 128 | 2 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 516 | 7 | 2 | 4 | 6.4 | C[C@H](NC(=O)c1cccc2ccn(Cc3cc(Cl)cc(OC(F)(F)F)c3)c12)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2010.04.065 | |||
8541 | 2942 | 2 | None | 1 | 4 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 436 | 13 | 3 | 6 | 2.8 | COCc1cccc(c1)C[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCSCCCC(=O)O)O | 10.1021/acs.jmedchem.9b00336 | |||
9824353 | 2942 | 2 | None | 1 | 4 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 436 | 13 | 3 | 6 | 2.8 | COCc1cccc(c1)C[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCSCCCC(=O)O)O | 10.1021/acs.jmedchem.9b00336 | |||
CHEMBL292964 | 2942 | 2 | None | 1 | 4 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 436 | 13 | 3 | 6 | 2.8 | COCc1cccc(c1)C[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCSCCCC(=O)O)O | 10.1021/acs.jmedchem.9b00336 | |||
53325840 | 56872 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 569 | 7 | 2 | 5 | 5.8 | Cc1cc(C)c2sc(C(=O)N(C)C)c(-c3ccc(CCNC(=O)NS(=O)(=O)c4ccc(Cl)cc4)cc3)c2c1 | 10.1016/j.bmcl.2010.11.118 | |||
CHEMBL1644004 | 56872 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 569 | 7 | 2 | 5 | 5.8 | Cc1cc(C)c2sc(C(=O)N(C)C)c(-c3ccc(CCNC(=O)NS(=O)(=O)c4ccc(Cl)cc4)cc3)c2c1 | 10.1016/j.bmcl.2010.11.118 | |||
10319835 | 69365 | 0 | None | 5011 | 3 | Mouse | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 417 | 13 | 2 | 3 | 4.9 | CCCc1cccc(C[C@H](O)/C=C/[C@H]2CCC(=S)N2CCCCCCC(=O)O)c1 | 10.1016/j.bmc.2011.12.009 | |||
CHEMBL1929547 | 69365 | 0 | None | 5011 | 3 | Mouse | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 417 | 13 | 2 | 3 | 4.9 | CCCc1cccc(C[C@H](O)/C=C/[C@H]2CCC(=S)N2CCCCCCC(=O)O)c1 | 10.1016/j.bmc.2011.12.009 | |||
23660680 | 57099 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 468 | 6 | 2 | 3 | 5.5 | C[C@H](NC(=O)c1cccc2c1N(Cc1cccc(C(F)(F)F)c1)CC2)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2010.10.106 | |||
CHEMBL1645138 | 57099 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 468 | 6 | 2 | 3 | 5.5 | C[C@H](NC(=O)c1cccc2c1N(Cc1cccc(C(F)(F)F)c1)CC2)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2010.10.106 | |||
53325182 | 57114 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 502 | 6 | 2 | 3 | 6.1 | C[C@H](NC(=O)c1cc(Cl)cc2c1N(Cc1ccc(C(F)(F)F)cc1)CC2)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2010.10.106 | |||
CHEMBL1645153 | 57114 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 502 | 6 | 2 | 3 | 6.1 | C[C@H](NC(=O)c1cc(Cl)cc2c1N(Cc1ccc(C(F)(F)F)cc1)CC2)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2010.10.106 | |||
44304436 | 203318 | 0 | None | 8 | 5 | Mouse | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 400 | 14 | 3 | 5 | 3.8 | CCCC[C@H](C)C[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1SCCCCCC(=O)O | 10.1016/s0960-894x(01)00364-x | |||
CHEMBL64854 | 203318 | 0 | None | 8 | 5 | Mouse | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 400 | 14 | 3 | 5 | 3.8 | CCCC[C@H](C)C[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1SCCCCCC(=O)O | 10.1016/s0960-894x(01)00364-x | |||
53323010 | 56879 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 575 | 7 | 2 | 5 | 6.0 | Cc1ccc(S(=O)(=O)NC(=O)NCCc2ccc(-c3c(C(=O)N4CCCC4)sc4c(C)cc(C)cc34)cc2)cc1 | 10.1016/j.bmcl.2010.11.118 | |||
CHEMBL1644010 | 56879 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 575 | 7 | 2 | 5 | 6.0 | Cc1ccc(S(=O)(=O)NC(=O)NCCc2ccc(-c3c(C(=O)N4CCCC4)sc4c(C)cc(C)cc34)cc2)cc1 | 10.1016/j.bmcl.2010.11.118 | |||
56835070 | 69469 | 0 | None | 22 | 3 | Mouse | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 432 | 9 | 2 | 6 | 3.4 | Cc1cccc(C[C@H](O)/C=C/[C@H]2CCC(=O)N2CCSc2nc(C(=O)O)cs2)c1 | 10.1016/j.bmcl.2011.10.109 | |||
CHEMBL1933722 | 69469 | 0 | None | 22 | 3 | Mouse | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 432 | 9 | 2 | 6 | 3.4 | Cc1cccc(C[C@H](O)/C=C/[C@H]2CCC(=O)N2CCSc2nc(C(=O)O)cs2)c1 | 10.1016/j.bmcl.2011.10.109 | |||
56835070 | 69469 | 0 | None | 22 | 3 | Mouse | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 432 | 9 | 2 | 6 | 3.4 | Cc1cccc(C[C@H](O)/C=C/[C@H]2CCC(=O)N2CCSc2nc(C(=O)O)cs2)c1 | 10.1016/j.bmc.2012.02.018 | |||
CHEMBL1933722 | 69469 | 0 | None | 22 | 3 | Mouse | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 432 | 9 | 2 | 6 | 3.4 | Cc1cccc(C[C@H](O)/C=C/[C@H]2CCC(=O)N2CCSc2nc(C(=O)O)cs2)c1 | 10.1016/j.bmc.2012.02.018 | |||
56835070 | 69469 | 0 | None | 22 | 3 | Mouse | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 432 | 9 | 2 | 6 | 3.4 | Cc1cccc(C[C@H](O)/C=C/[C@H]2CCC(=O)N2CCSc2nc(C(=O)O)cs2)c1 | 10.1016/j.bmc.2012.04.008 | |||
CHEMBL1933722 | 69469 | 0 | None | 22 | 3 | Mouse | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 432 | 9 | 2 | 6 | 3.4 | Cc1cccc(C[C@H](O)/C=C/[C@H]2CCC(=O)N2CCSc2nc(C(=O)O)cs2)c1 | 10.1016/j.bmc.2012.04.008 | |||
53323177 | 56873 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 569 | 7 | 2 | 5 | 5.8 | Cc1cc(C)c2sc(C(=O)N(C)C)c(-c3ccc(CCNC(=O)NS(=O)(=O)c4ccccc4Cl)cc3)c2c1 | 10.1016/j.bmcl.2010.11.118 | |||
CHEMBL1644005 | 56873 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 569 | 7 | 2 | 5 | 5.8 | Cc1cc(C)c2sc(C(=O)N(C)C)c(-c3ccc(CCNC(=O)NS(=O)(=O)c4ccccc4Cl)cc3)c2c1 | 10.1016/j.bmcl.2010.11.118 | |||
44453545 | 95117 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 608 | 10 | 1 | 6 | 6.1 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CS(=O)(=O)NC(=O)Cc3cccc4ccccc34)cc1)C2 | 10.1016/j.bmcl.2008.01.103 | |||
CHEMBL255529 | 95117 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 608 | 10 | 1 | 6 | 6.1 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CS(=O)(=O)NC(=O)Cc3cccc4ccccc34)cc1)C2 | 10.1016/j.bmcl.2008.01.103 | |||
11957776 | 97511 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 641 | 10 | 1 | 7 | 5.7 | CCOc1c2c(c(OCC)c3ncccc13)CN(c1ccc(CS(=O)(=O)NC(=O)Cc3ccccc3C(F)(F)F)cc1C)C2=O | 10.1016/j.bmcl.2008.01.103 | |||
CHEMBL270397 | 97511 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 641 | 10 | 1 | 7 | 5.7 | CCOc1c2c(c(OCC)c3ncccc13)CN(c1ccc(CS(=O)(=O)NC(=O)Cc3ccccc3C(F)(F)F)cc1C)C2=O | 10.1016/j.bmcl.2008.01.103 | |||
44454021 | 97638 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 600 | 10 | 1 | 6 | 5.9 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CS(=O)(=O)NC(=O)Cc3c(C)cc(C)cc3C)cc1)C2 | 10.1016/j.bmcl.2008.01.103 | |||
CHEMBL271070 | 97638 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 600 | 10 | 1 | 6 | 5.9 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CS(=O)(=O)NC(=O)Cc3c(C)cc(C)cc3C)cc1)C2 | 10.1016/j.bmcl.2008.01.103 | |||
57893982 | 75162 | 0 | None | 4 | 3 | Mouse | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 508 | 10 | 2 | 6 | 5.1 | Cc1ccc(-c2cccc(C[C@H](O)/C=C/[C@H]3CCC(=O)N3CCSc3nc(C(=O)O)cs3)c2)cc1 | 10.1016/j.bmc.2012.04.008 | |||
CHEMBL2036318 | 75162 | 0 | None | 4 | 3 | Mouse | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 508 | 10 | 2 | 6 | 5.1 | Cc1ccc(-c2cccc(C[C@H](O)/C=C/[C@H]3CCC(=O)N3CCSc3nc(C(=O)O)cs3)c2)cc1 | 10.1016/j.bmc.2012.04.008 | |||
53319233 | 56875 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 614 | 7 | 1 | 5 | 6.9 | Cc1cc(C)c2sc(C(=O)N(C)C)c(-c3ccc(CS(=O)(=O)NC(=O)C4(c5c(Cl)cccc5Cl)CC4)cc3)c2c1 | 10.1016/j.bmcl.2010.11.118 | |||
CHEMBL1644007 | 56875 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 614 | 7 | 1 | 5 | 6.9 | Cc1cc(C)c2sc(C(=O)N(C)C)c(-c3ccc(CS(=O)(=O)NC(=O)C4(c5c(Cl)cccc5Cl)CC4)cc3)c2c1 | 10.1016/j.bmcl.2010.11.118 | |||
46890660 | 6656 | 0 | None | 478 | 2 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 500 | 6 | 2 | 3 | 6.6 | C[C@H](NC(=O)c1cc(Cl)cc2ccn(Cc3ccc(C(F)(F)F)cc3)c12)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2010.04.065 | |||
CHEMBL1083400 | 6656 | 0 | None | 478 | 2 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 500 | 6 | 2 | 3 | 6.6 | C[C@H](NC(=O)c1cc(Cl)cc2ccn(Cc3ccc(C(F)(F)F)cc3)c12)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2010.04.065 | |||
23634376 | 57094 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 434 | 6 | 2 | 3 | 5.1 | C[C@H](NC(=O)c1cccc2c1N(Cc1cccc(Cl)c1)CC2)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2010.10.106 | |||
CHEMBL1645133 | 57094 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 434 | 6 | 2 | 3 | 5.1 | C[C@H](NC(=O)c1cccc2c1N(Cc1cccc(Cl)c1)CC2)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2010.10.106 | |||
23661014 | 57096 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 434 | 6 | 2 | 3 | 5.1 | C[C@H](NC(=O)c1cccc2c1N(Cc1ccc(Cl)cc1)CC2)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2010.10.106 | |||
CHEMBL1645135 | 57096 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 434 | 6 | 2 | 3 | 5.1 | C[C@H](NC(=O)c1cccc2c1N(Cc1ccc(Cl)cc1)CC2)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2010.10.106 | |||
72949200 | 153775 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 385 | 11 | 2 | 3 | 3.2 | CC#CC[C@H](C)[C@H](O)/C=C/[C@H]1CC(F)(F)C(=O)N1CCCCCCC(=O)O | nan | |||
CHEMBL3982139 | 153775 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 385 | 11 | 2 | 3 | 3.2 | CC#CC[C@H](C)[C@H](O)/C=C/[C@H]1CC(F)(F)C(=O)N1CCCCCCC(=O)O | nan | |||
1883 | 3080 | 75 | None | -1 | 24 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.bmcl.2013.01.025 | |||
1916 | 3080 | 75 | None | -1 | 24 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.bmcl.2013.01.025 | |||
5280360 | 3080 | 75 | None | -1 | 24 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.bmcl.2013.01.025 | |||
913 | 3080 | 75 | None | -1 | 24 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.bmcl.2013.01.025 | |||
CHEMBL548 | 3080 | 75 | None | -1 | 24 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.bmcl.2013.01.025 | |||
DB00917 | 3080 | 75 | None | -1 | 24 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.bmcl.2013.01.025 | |||
77050677 | 128582 | 0 | None | 588 | 2 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 385 | 10 | 2 | 4 | 3.7 | CC(C)[C@@H](OCCOc1ccccc1)C(=O)N[C@@H](C)c1ccc(C(=O)O)cc1 | nan | |||
CHEMBL3667607 | 128582 | 0 | None | 588 | 2 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 385 | 10 | 2 | 4 | 3.7 | CC(C)[C@@H](OCCOc1ccccc1)C(=O)N[C@@H](C)c1ccc(C(=O)O)cc1 | nan | |||
24178408 | 132110 | 0 | None | - | 1 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 555 | 6 | 2 | 3 | 6.7 | C[C@H](NC(=O)c1c(Br)sc(Br)c1Cc1cccc(Cl)c1)c1ccc(C(=O)O)cc1 | nan | |||
CHEMBL3695937 | 132110 | 0 | None | - | 1 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 555 | 6 | 2 | 3 | 6.7 | C[C@H](NC(=O)c1c(Br)sc(Br)c1Cc1cccc(Cl)c1)c1ccc(C(=O)O)cc1 | nan | |||
15948439 | 155294 | 0 | None | - | 1 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 591 | 10 | 1 | 7 | 4.8 | CCOc1c2c(c(OCC)c3ncccc13)CN(c1ccc(CS(=O)(=O)NC(=O)Cc3ccccc3F)cc1C)C2=O | 10.1016/j.bmcl.2008.01.103 | |||
CHEMBL402960 | 155294 | 0 | None | - | 1 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 591 | 10 | 1 | 7 | 4.8 | CCOc1c2c(c(OCC)c3ncccc13)CN(c1ccc(CS(=O)(=O)NC(=O)Cc3ccccc3F)cc1C)C2=O | 10.1016/j.bmcl.2008.01.103 | |||
12521 | 2195 | 0 | None | -1 | 4 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 399 | 11 | 2 | 3 | 3.6 | FC1(C(N([C@H](C1)/C=C/[C@H]([C@H](CC#CCC)C)O)CCCCCCC(=O)O)=O)F | nan | |||
72722131 | 2195 | 0 | None | -1 | 4 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 399 | 11 | 2 | 3 | 3.6 | FC1(C(N([C@H](C1)/C=C/[C@H]([C@H](CC#CCC)C)O)CCCCCCC(=O)O)=O)F | nan | |||
CHEMBL3918816 | 2195 | 0 | None | -1 | 4 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 399 | 11 | 2 | 3 | 3.6 | FC1(C(N([C@H](C1)/C=C/[C@H]([C@H](CC#CCC)C)O)CCCCCCC(=O)O)=O)F | nan | |||
44304404 | 100579 | 0 | None | 23 | 4 | Mouse | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 436 | 12 | 3 | 4 | 4.1 | COCc1cccc(C[C@H](O)/C=C/[C@H]2[C@H](O)C[C@@H](Cl)[C@@H]2C/C=C/CCCC(=O)O)c1 | 10.1016/s0960-894x(01)00365-1 | |||
CHEMBL291630 | 100579 | 0 | None | 23 | 4 | Mouse | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 436 | 12 | 3 | 4 | 4.1 | COCc1cccc(C[C@H](O)/C=C/[C@H]2[C@H](O)C[C@@H](Cl)[C@@H]2C/C=C/CCCC(=O)O)c1 | 10.1016/s0960-894x(01)00365-1 | |||
44304388 | 203150 | 0 | None | 3 | 5 | Mouse | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 372 | 13 | 3 | 5 | 3.0 | CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCSCCCC(=O)O | 10.1016/s0960-894x(01)00365-1 | |||
CHEMBL64187 | 203150 | 0 | None | 3 | 5 | Mouse | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 372 | 13 | 3 | 5 | 3.0 | CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCSCCCC(=O)O | 10.1016/s0960-894x(01)00365-1 | |||
24952929 | 2552 | 42 | None | 1 | 5 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 473 | 6 | 2 | 3 | 6.1 | OC(=O)c1ccc(cc1)C1(CC1)NC(=O)c1c(C)sc(c1Cc1ccc(cc1)C(F)(F)F)C | nan | |||
4041 | 2552 | 42 | None | 1 | 5 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 473 | 6 | 2 | 3 | 6.1 | OC(=O)c1ccc(cc1)C1(CC1)NC(=O)c1c(C)sc(c1Cc1ccc(cc1)C(F)(F)F)C | nan | |||
CHEMBL597997 | 2552 | 42 | None | 1 | 5 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 473 | 6 | 2 | 3 | 6.1 | OC(=O)c1ccc(cc1)C1(CC1)NC(=O)c1c(C)sc(c1Cc1ccc(cc1)C(F)(F)F)C | nan | |||
53319234 | 56877 | 0 | None | - | 1 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 535 | 7 | 3 | 5 | 5.1 | CNC(=O)c1sc2c(C)cc(C)cc2c1-c1ccc(CCNC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1 | 10.1016/j.bmcl.2010.11.118 | |||
CHEMBL1644009 | 56877 | 0 | None | - | 1 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 535 | 7 | 3 | 5 | 5.1 | CNC(=O)c1sc2c(C)cc(C)cc2c1-c1ccc(CCNC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1 | 10.1016/j.bmcl.2010.11.118 | |||
56949973 | 69370 | 0 | None | 1949 | 4 | Mouse | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 407 | 11 | 2 | 4 | 3.8 | Cc1cccc(C[C@H](O)/C=C/[C@H]2CCC(=S)N2CCSCCCC(=O)O)c1 | 10.1016/j.bmc.2011.12.009 | |||
CHEMBL1929551 | 69370 | 0 | None | 1949 | 4 | Mouse | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 407 | 11 | 2 | 4 | 3.8 | Cc1cccc(C[C@H](O)/C=C/[C@H]2CCC(=S)N2CCSCCCC(=O)O)c1 | 10.1016/j.bmc.2011.12.009 | |||
57396825 | 69471 | 0 | None | 6 | 4 | Mouse | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 398 | 11 | 2 | 6 | 3.4 | CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)N1CCSc1nc(C(=O)O)cs1 | 10.1016/j.bmcl.2011.10.109 | |||
CHEMBL1933724 | 69471 | 0 | None | 6 | 4 | Mouse | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 398 | 11 | 2 | 6 | 3.4 | CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)N1CCSc1nc(C(=O)O)cs1 | 10.1016/j.bmcl.2011.10.109 | |||
57396825 | 69471 | 0 | None | 6 | 4 | Mouse | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 398 | 11 | 2 | 6 | 3.4 | CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)N1CCSc1nc(C(=O)O)cs1 | 10.1016/j.bmc.2012.02.018 | |||
CHEMBL1933724 | 69471 | 0 | None | 6 | 4 | Mouse | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 398 | 11 | 2 | 6 | 3.4 | CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)N1CCSc1nc(C(=O)O)cs1 | 10.1016/j.bmc.2012.02.018 | |||
53320542 | 56881 | 0 | None | - | 1 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 557 | 7 | 2 | 5 | 5.1 | Cc1ccc(S(=O)(=O)NC(=O)NCCc2ccc(-c3c(C(=O)N(C)C)sc4c(F)cc(F)cc34)cc2)cc1 | 10.1016/j.bmcl.2010.11.118 | |||
CHEMBL1644012 | 56881 | 0 | None | - | 1 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 557 | 7 | 2 | 5 | 5.1 | Cc1ccc(S(=O)(=O)NC(=O)NCCc2ccc(-c3c(C(=O)N(C)C)sc4c(F)cc(F)cc34)cc2)cc1 | 10.1016/j.bmcl.2010.11.118 | |||
50898361 | 56871 | 0 | None | 48 | 4 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 549 | 7 | 2 | 5 | 5.4 | Cc1ccc(S(=O)(=O)NC(=O)NCCc2ccc(-c3c(C(=O)N(C)C)sc4c(C)cc(C)cc34)cc2)cc1 | 10.1016/j.bmcl.2010.11.118 | |||
CHEMBL1644003 | 56871 | 0 | None | 48 | 4 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 549 | 7 | 2 | 5 | 5.4 | Cc1ccc(S(=O)(=O)NC(=O)NCCc2ccc(-c3c(C(=O)N(C)C)sc4c(C)cc(C)cc34)cc2)cc1 | 10.1016/j.bmcl.2010.11.118 | |||
15947856 | 155725 | 0 | None | - | 1 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 659 | 12 | 1 | 9 | 5.2 | CCOc1c2c(c(OCC)c3ncccc13)CN(c1ccc(CS(=O)(=O)NC(=O)C3(c4c(OC)cccc4OC)CC3)cc1C)C2=O | 10.1016/j.bmcl.2008.01.103 | |||
CHEMBL405446 | 155725 | 0 | None | - | 1 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 659 | 12 | 1 | 9 | 5.2 | CCOc1c2c(c(OCC)c3ncccc13)CN(c1ccc(CS(=O)(=O)NC(=O)C3(c4c(OC)cccc4OC)CC3)cc1C)C2=O | 10.1016/j.bmcl.2008.01.103 | |||
53321855 | 56882 | 0 | None | - | 1 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 623 | 7 | 2 | 5 | 6.5 | Cc1ccc(S(=O)(=O)NC(=O)NCCc2ccc(-c3c(C(=O)N(C)C)sc4c(Cl)cc(C(F)(F)F)cc34)cc2)cc1 | 10.1016/j.bmcl.2010.11.118 | |||
CHEMBL1644013 | 56882 | 0 | None | - | 1 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 623 | 7 | 2 | 5 | 6.5 | Cc1ccc(S(=O)(=O)NC(=O)NCCc2ccc(-c3c(C(=O)N(C)C)sc4c(Cl)cc(C(F)(F)F)cc34)cc2)cc1 | 10.1016/j.bmcl.2010.11.118 | |||
15948788 | 95385 | 0 | None | - | 1 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 629 | 11 | 1 | 8 | 5.2 | CCOc1c2c(c(OCC)c3ncccc13)CN(c1ccc(CS(=O)(=O)NC(=O)C3(c4ccccc4OC)CC3)cc1C)C2=O | 10.1016/j.bmcl.2008.01.103 | |||
CHEMBL256822 | 95385 | 0 | None | - | 1 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 629 | 11 | 1 | 8 | 5.2 | CCOc1c2c(c(OCC)c3ncccc13)CN(c1ccc(CS(=O)(=O)NC(=O)C3(c4ccccc4OC)CC3)cc1C)C2=O | 10.1016/j.bmcl.2008.01.103 | |||
24952929 | 2552 | 42 | None | 1 | 5 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 473 | 6 | 2 | 3 | 6.1 | OC(=O)c1ccc(cc1)C1(CC1)NC(=O)c1c(C)sc(c1Cc1ccc(cc1)C(F)(F)F)C | 10.1021/jm901771h | |||
4041 | 2552 | 42 | None | 1 | 5 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 473 | 6 | 2 | 3 | 6.1 | OC(=O)c1ccc(cc1)C1(CC1)NC(=O)c1c(C)sc(c1Cc1ccc(cc1)C(F)(F)F)C | 10.1021/jm901771h | |||
CHEMBL597997 | 2552 | 42 | None | 1 | 5 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 473 | 6 | 2 | 3 | 6.1 | OC(=O)c1ccc(cc1)C1(CC1)NC(=O)c1c(C)sc(c1Cc1ccc(cc1)C(F)(F)F)C | 10.1021/jm901771h | |||
53317905 | 56880 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 589 | 7 | 2 | 5 | 6.1 | Cc1ccc(S(=O)(=O)NC(=O)NCCc2ccc(-c3c(C(=O)N(C)C)sc4c(Cl)cc(Cl)cc34)cc2)cc1 | 10.1016/j.bmcl.2010.11.118 | |||
CHEMBL1644011 | 56880 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 589 | 7 | 2 | 5 | 6.1 | Cc1ccc(S(=O)(=O)NC(=O)NCCc2ccc(-c3c(C(=O)N(C)C)sc4c(Cl)cc(Cl)cc34)cc2)cc1 | 10.1016/j.bmcl.2010.11.118 | |||
24952928 | 200423 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 497 | 6 | 2 | 5 | 5.6 | Cc1sc(C)c(C(=O)NC2(c3ccc(-c4nn[nH]n4)cc3)CC2)c1Cc1ccc(C(F)(F)F)cc1 | nan | |||
CHEMBL598198 | 200423 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 497 | 6 | 2 | 5 | 5.6 | Cc1sc(C)c(C(=O)NC2(c3ccc(-c4nn[nH]n4)cc3)CC2)c1Cc1ccc(C(F)(F)F)cc1 | nan | |||
10112412 | 69466 | 0 | None | 208 | 3 | Mouse | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 413 | 9 | 2 | 4 | 3.8 | Cc1cccc(C[C@H](O)/C=C/[C@H]2CCC(=O)N2CCCc2ccc(C(=O)O)s2)c1 | 10.1016/j.bmcl.2011.10.109 | |||
CHEMBL1933719 | 69466 | 0 | None | 208 | 3 | Mouse | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 413 | 9 | 2 | 4 | 3.8 | Cc1cccc(C[C@H](O)/C=C/[C@H]2CCC(=O)N2CCCc2ccc(C(=O)O)s2)c1 | 10.1016/j.bmcl.2011.10.109 | |||
10112412 | 69466 | 0 | None | 208 | 3 | Mouse | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 413 | 9 | 2 | 4 | 3.8 | Cc1cccc(C[C@H](O)/C=C/[C@H]2CCC(=O)N2CCCc2ccc(C(=O)O)s2)c1 | 10.1016/j.bmc.2012.02.018 | |||
CHEMBL1933719 | 69466 | 0 | None | 208 | 3 | Mouse | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 413 | 9 | 2 | 4 | 3.8 | Cc1cccc(C[C@H](O)/C=C/[C@H]2CCC(=O)N2CCCc2ccc(C(=O)O)s2)c1 | 10.1016/j.bmc.2012.02.018 | |||
58824190 | 110816 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 532 | 9 | 1 | 8 | 5.2 | Cc1noc(C)c1S(=O)(=O)NC(=O)c1cc(COc2ccc(-c3ccc(OC(F)F)cc3)cc2)c(C)o1 | 10.1016/j.bmcl.2014.02.068 | |||
CHEMBL3260767 | 110816 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 532 | 9 | 1 | 8 | 5.2 | Cc1noc(C)c1S(=O)(=O)NC(=O)c1cc(COc2ccc(-c3ccc(OC(F)F)cc3)cc2)c(C)o1 | 10.1016/j.bmcl.2014.02.068 | |||
57894081 | 75152 | 0 | None | 3467 | 2 | Mouse | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 503 | 12 | 2 | 4 | 5.6 | O=C(O)CCCSCCN1C(=O)CC[C@@H]1/C=C/[C@@H](O)Cc1cccc(-c2ccc3ccccc3c2)c1 | 10.1016/j.bmc.2012.04.008 | |||
CHEMBL2036308 | 75152 | 0 | None | 3467 | 2 | Mouse | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 503 | 12 | 2 | 4 | 5.6 | O=C(O)CCCSCCN1C(=O)CC[C@@H]1/C=C/[C@@H](O)Cc1cccc(-c2ccc3ccccc3c2)c1 | 10.1016/j.bmc.2012.04.008 | |||
46890659 | 6957 | 0 | None | 2238 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 466 | 6 | 2 | 3 | 5.9 | C[C@H](NC(=O)c1cccc2ccn(Cc3ccc(C(F)(F)F)cc3)c12)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2010.04.065 | |||
CHEMBL1084553 | 6957 | 0 | None | 2238 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 466 | 6 | 2 | 3 | 5.9 | C[C@H](NC(=O)c1cccc2ccn(Cc3ccc(C(F)(F)F)cc3)c12)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2010.04.065 | |||
24952928 | 200423 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 497 | 6 | 2 | 5 | 5.6 | Cc1sc(C)c(C(=O)NC2(c3ccc(-c4nn[nH]n4)cc3)CC2)c1Cc1ccc(C(F)(F)F)cc1 | 10.1021/jm901771h | |||
CHEMBL598198 | 200423 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 497 | 6 | 2 | 5 | 5.6 | Cc1sc(C)c(C(=O)NC2(c3ccc(-c4nn[nH]n4)cc3)CC2)c1Cc1ccc(C(F)(F)F)cc1 | 10.1021/jm901771h | |||
10363310 | 69357 | 0 | None | 60 | 2 | Mouse | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 395 | 11 | 2 | 5 | 3.3 | O=C(O)CCCSCCN1C(=O)SC[C@@H]1/C=C/[C@@H](O)Cc1ccccc1 | 10.1016/j.bmc.2011.12.009 | |||
CHEMBL1929539 | 69357 | 0 | None | 60 | 2 | Mouse | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 395 | 11 | 2 | 5 | 3.3 | O=C(O)CCCSCCN1C(=O)SC[C@@H]1/C=C/[C@@H](O)Cc1ccccc1 | 10.1016/j.bmc.2011.12.009 | |||
53326475 | 57115 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 536 | 6 | 2 | 3 | 6.5 | C[C@H](NC(=O)c1cc(C(F)(F)F)cc2c1N(Cc1ccc(C(F)(F)F)cc1)CC2)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2010.10.106 | |||
CHEMBL1645154 | 57115 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 536 | 6 | 2 | 3 | 6.5 | C[C@H](NC(=O)c1cc(C(F)(F)F)cc2c1N(Cc1ccc(C(F)(F)F)cc1)CC2)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2010.10.106 | |||
11387144 | 133619 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 540 | 9 | 1 | 4 | 8.3 | O=C(NOCc1ccccc1)c1cccc(C[C@@H]2CCCC=C2c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1 | 10.1021/jm050085k | |||
CHEMBL371394 | 133619 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 540 | 9 | 1 | 4 | 8.3 | O=C(NOCc1ccccc1)c1cccc(C[C@@H]2CCCC=C2c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1 | 10.1021/jm050085k | |||
10000670 | 69367 | 0 | None | 2454 | 2 | Mouse | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 393 | 11 | 2 | 3 | 4.1 | O=C(O)CCCCCCN1C(=S)CC[C@@H]1/C=C/[C@@H](O)Cc1cccc(F)c1 | 10.1016/j.bmc.2011.12.009 | |||
CHEMBL1929549 | 69367 | 0 | None | 2454 | 2 | Mouse | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 393 | 11 | 2 | 3 | 4.1 | O=C(O)CCCCCCN1C(=S)CC[C@@H]1/C=C/[C@@H](O)Cc1cccc(F)c1 | 10.1016/j.bmc.2011.12.009 | |||
8541 | 2942 | 2 | None | -1 | 4 | Mouse | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 436 | 13 | 3 | 6 | 2.8 | COCc1cccc(c1)C[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCSCCCC(=O)O)O | 10.1016/s0960-894x(01)00365-1 | |||
9824353 | 2942 | 2 | None | -1 | 4 | Mouse | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 436 | 13 | 3 | 6 | 2.8 | COCc1cccc(c1)C[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCSCCCC(=O)O)O | 10.1016/s0960-894x(01)00365-1 | |||
CHEMBL292964 | 2942 | 2 | None | -1 | 4 | Mouse | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 436 | 13 | 3 | 6 | 2.8 | COCc1cccc(c1)C[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCSCCCC(=O)O)O | 10.1016/s0960-894x(01)00365-1 | |||
13231966 | 100949 | 0 | None | 6 | 5 | Mouse | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 372 | 13 | 3 | 5 | 3.2 | CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1SCCCCCC(=O)O | 10.1016/s0960-894x(01)00365-1 | |||
CHEMBL294108 | 100949 | 0 | None | 6 | 5 | Mouse | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 372 | 13 | 3 | 5 | 3.2 | CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1SCCCCCC(=O)O | 10.1016/s0960-894x(01)00365-1 | |||
24953627 | 132118 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 497 | 6 | 2 | 5 | 5.6 | Cc1sc(C)c(C(=O)NC2(c3ccc(-c4nn[nH]n4)cc3)CC2)c1Cc1cccc(C(F)(F)F)c1 | nan | |||
CHEMBL3695945 | 132118 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 497 | 6 | 2 | 5 | 5.6 | Cc1sc(C)c(C(=O)NC2(c3ccc(-c4nn[nH]n4)cc3)CC2)c1Cc1cccc(C(F)(F)F)c1 | nan | |||
11339240 | 84726 | 0 | None | 3548 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 423 | 10 | 2 | 4 | 3.2 | COCc1cccc(C[C@H](O)/C=C/[C@H]2CCC(=O)N2CCc2ccc(C(=O)O)cc2)c1 | 10.1021/jm049290a | |||
CHEMBL222834 | 84726 | 0 | None | 3548 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 423 | 10 | 2 | 4 | 3.2 | COCc1cccc(C[C@H](O)/C=C/[C@H]2CCC(=O)N2CCc2ccc(C(=O)O)cc2)c1 | 10.1021/jm049290a | |||
8541 | 2942 | 2 | None | -1 | 4 | Mouse | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 436 | 13 | 3 | 6 | 2.8 | COCc1cccc(c1)C[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCSCCCC(=O)O)O | 10.1021/jm9018756 | |||
9824353 | 2942 | 2 | None | -1 | 4 | Mouse | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 436 | 13 | 3 | 6 | 2.8 | COCc1cccc(c1)C[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCSCCCC(=O)O)O | 10.1021/jm9018756 | |||
CHEMBL292964 | 2942 | 2 | None | -1 | 4 | Mouse | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 436 | 13 | 3 | 6 | 2.8 | COCc1cccc(c1)C[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCSCCCC(=O)O)O | 10.1021/jm9018756 | |||
8541 | 2942 | 2 | None | -1 | 4 | Mouse | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 436 | 13 | 3 | 6 | 2.8 | COCc1cccc(c1)C[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCSCCCC(=O)O)O | 10.1016/j.bmc.2011.12.009 | |||
9824353 | 2942 | 2 | None | -1 | 4 | Mouse | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 436 | 13 | 3 | 6 | 2.8 | COCc1cccc(c1)C[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCSCCCC(=O)O)O | 10.1016/j.bmc.2011.12.009 | |||
CHEMBL292964 | 2942 | 2 | None | -1 | 4 | Mouse | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 436 | 13 | 3 | 6 | 2.8 | COCc1cccc(c1)C[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCSCCCC(=O)O)O | 10.1016/j.bmc.2011.12.009 | |||
24952929 | 2552 | 42 | None | -1 | 5 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 473 | 6 | 2 | 3 | 6.1 | OC(=O)c1ccc(cc1)C1(CC1)NC(=O)c1c(C)sc(c1Cc1ccc(cc1)C(F)(F)F)C | 10.1021/jm901771h | |||
4041 | 2552 | 42 | None | -1 | 5 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 473 | 6 | 2 | 3 | 6.1 | OC(=O)c1ccc(cc1)C1(CC1)NC(=O)c1c(C)sc(c1Cc1ccc(cc1)C(F)(F)F)C | 10.1021/jm901771h | |||
CHEMBL597997 | 2552 | 42 | None | -1 | 5 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 473 | 6 | 2 | 3 | 6.1 | OC(=O)c1ccc(cc1)C1(CC1)NC(=O)c1c(C)sc(c1Cc1ccc(cc1)C(F)(F)F)C | 10.1021/jm901771h | |||
13231966 | 100949 | 0 | None | 6 | 5 | Mouse | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 372 | 13 | 3 | 5 | 3.2 | CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1SCCCCCC(=O)O | 10.1016/s0960-894x(01)00364-x | |||
CHEMBL294108 | 100949 | 0 | None | 6 | 5 | Mouse | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 372 | 13 | 3 | 5 | 3.2 | CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1SCCCCCC(=O)O | 10.1016/s0960-894x(01)00364-x | |||
9886718 | 203161 | 0 | None | 309 | 4 | Mouse | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 390 | 13 | 3 | 6 | 2.7 | CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1SCCCSCC(=O)O | 10.1016/s0960-894x(01)00364-x | |||
CHEMBL64217 | 203161 | 0 | None | 309 | 4 | Mouse | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 390 | 13 | 3 | 6 | 2.7 | CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1SCCCSCC(=O)O | 10.1016/s0960-894x(01)00364-x | |||
24952578 | 132109 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 477 | 6 | 2 | 3 | 5.9 | C[C@H](NC(=O)c1csc(Br)c1Cc1cccc(Cl)c1)c1ccc(C(=O)O)cc1 | nan | |||
CHEMBL3695936 | 132109 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 477 | 6 | 2 | 3 | 5.9 | C[C@H](NC(=O)c1csc(Br)c1Cc1cccc(Cl)c1)c1ccc(C(=O)O)cc1 | nan | |||
24953285 | 200867 | 0 | None | 53 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 453 | 6 | 2 | 3 | 5.9 | O=C(O)c1ccc(CNC(=O)c2c(Cl)sc(Cl)c2Cc2cccc(Cl)c2)cc1 | 10.1021/jm901771h | |||
CHEMBL601299 | 200867 | 0 | None | 53 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 453 | 6 | 2 | 3 | 5.9 | O=C(O)c1ccc(CNC(=O)c2c(Cl)sc(Cl)c2Cc2cccc(Cl)c2)cc1 | 10.1021/jm901771h | |||
15948325 | 2524 | 45 | None | 512 | 6 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 603 | 11 | 1 | 8 | 4.7 | CCOc1c2CN(C(=O)c2c(c2c1nccc2)OCC)c1ccc(cc1C)CS(=O)(=O)NC(=O)Cc1ccccc1OC | 10.1016/j.bmcl.2008.01.103 | |||
5856 | 2524 | 45 | None | 512 | 6 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 603 | 11 | 1 | 8 | 4.7 | CCOc1c2CN(C(=O)c2c(c2c1nccc2)OCC)c1ccc(cc1C)CS(=O)(=O)NC(=O)Cc1ccccc1OC | 10.1016/j.bmcl.2008.01.103 | |||
CHEMBL402162 | 2524 | 45 | None | 512 | 6 | Human | 9.1 | pKi | = | 9.1 | 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 | |||
9894720 | 68297 | 11 | None | -2 | 2 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 588 | 9 | 1 | 5 | 7.7 | O=C(NS(=O)(=O)Cc1ccccc1)c1cccc(C[C@@H]2CCCC=C2c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1 | 10.1021/jm050085k | |||
CHEMBL191638 | 68297 | 11 | None | -2 | 2 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 588 | 9 | 1 | 5 | 7.7 | O=C(NS(=O)(=O)Cc1ccccc1)c1cccc(C[C@@H]2CCCC=C2c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1 | 10.1021/jm050085k | |||
24953624 | 201188 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 473 | 6 | 2 | 3 | 6.1 | Cc1sc(C)c(C(=O)NC2(c3ccc(C(=O)O)cc3)CC2)c1Cc1cccc(C(F)(F)F)c1 | 10.1021/jm901771h | |||
CHEMBL603462 | 201188 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 473 | 6 | 2 | 3 | 6.1 | Cc1sc(C)c(C(=O)NC2(c3ccc(C(=O)O)cc3)CC2)c1Cc1cccc(C(F)(F)F)c1 | 10.1021/jm901771h | |||
15948329 | 155405 | 1 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 573 | 10 | 1 | 7 | 4.7 | CCOc1c2c(c(OCC)c3ncccc13)CN(c1ccc(CS(=O)(=O)NC(=O)Cc3ccccc3)cc1C)C2=O | 10.1016/j.bmcl.2008.01.103 | |||
CHEMBL403630 | 155405 | 1 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 573 | 10 | 1 | 7 | 4.7 | CCOc1c2c(c(OCC)c3ncccc13)CN(c1ccc(CS(=O)(=O)NC(=O)Cc3ccccc3)cc1C)C2=O | 10.1016/j.bmcl.2008.01.103 | |||
53320543 | 56883 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 549 | 7 | 2 | 5 | 5.4 | Cc1ccc(S(=O)(=O)NC(=O)NCCc2ccc(-c3c(C(=O)N(C)C)sc4c(C)ccc(C)c34)cc2)cc1 | 10.1016/j.bmcl.2010.11.118 | |||
CHEMBL1644014 | 56883 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 549 | 7 | 2 | 5 | 5.4 | Cc1ccc(S(=O)(=O)NC(=O)NCCc2ccc(-c3c(C(=O)N(C)C)sc4c(C)ccc(C)c34)cc2)cc1 | 10.1016/j.bmcl.2010.11.118 | |||
57398586 | 69474 | 0 | None | 53 | 3 | Mouse | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 422 | 9 | 2 | 7 | 3.0 | Cc1ccc(C[C@H](O)/C=C/[C@H]2CCC(=O)N2CCSc2nc(C(=O)O)cs2)o1 | 10.1016/j.bmcl.2011.10.109 | |||
CHEMBL1933727 | 69474 | 0 | None | 53 | 3 | Mouse | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 422 | 9 | 2 | 7 | 3.0 | Cc1ccc(C[C@H](O)/C=C/[C@H]2CCC(=O)N2CCSc2nc(C(=O)O)cs2)o1 | 10.1016/j.bmcl.2011.10.109 | |||
53323904 | 57109 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 414 | 6 | 2 | 3 | 4.7 | Cc1ccc(CN2CCc3cccc(C(=O)N[C@@H](C)c4ccc(C(=O)O)cc4)c32)cc1 | 10.1016/j.bmcl.2010.10.106 | |||
CHEMBL1645148 | 57109 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 414 | 6 | 2 | 3 | 4.7 | Cc1ccc(CN2CCc3cccc(C(=O)N[C@@H](C)c4ccc(C(=O)O)cc4)c32)cc1 | 10.1016/j.bmcl.2010.10.106 | |||
1883 | 3080 | 75 | None | -1 | 24 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.bmcl.2007.09.074 | |||
1916 | 3080 | 75 | None | -1 | 24 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.bmcl.2007.09.074 | |||
5280360 | 3080 | 75 | None | -1 | 24 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.bmcl.2007.09.074 | |||
913 | 3080 | 75 | None | -1 | 24 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.bmcl.2007.09.074 | |||
CHEMBL548 | 3080 | 75 | None | -1 | 24 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.bmcl.2007.09.074 | |||
DB00917 | 3080 | 75 | None | -1 | 24 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.bmcl.2007.09.074 | |||
15947857 | 155511 | 7 | None | 34 | 7 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 767 | 12 | 1 | 9 | 6.3 | COc1cccc(OC)c1C1(C(=O)NS(=O)(=O)Cc2ccc(N3Cc4c(c(OCC(F)(F)F)c5cccnc5c4OCC(F)(F)F)C3=O)c(C)c2)CC1 | 10.1016/j.bmcl.2008.01.103 | |||
CHEMBL404199 | 155511 | 7 | None | 34 | 7 | Human | 9.1 | pKi | = | 9.1 | 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 | |||
1883 | 3080 | 75 | None | -1 | 24 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.bmcl.2007.05.025 | |||
1916 | 3080 | 75 | None | -1 | 24 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.bmcl.2007.05.025 | |||
5280360 | 3080 | 75 | None | -1 | 24 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.bmcl.2007.05.025 | |||
913 | 3080 | 75 | None | -1 | 24 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.bmcl.2007.05.025 | |||
CHEMBL548 | 3080 | 75 | None | -1 | 24 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.bmcl.2007.05.025 | |||
DB00917 | 3080 | 75 | None | -1 | 24 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.bmcl.2007.05.025 | |||
1883 | 3080 | 75 | None | -1 | 24 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.bmcl.2007.11.020 | |||
1916 | 3080 | 75 | None | -1 | 24 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.bmcl.2007.11.020 | |||
5280360 | 3080 | 75 | None | -1 | 24 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.bmcl.2007.11.020 | |||
913 | 3080 | 75 | None | -1 | 24 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.bmcl.2007.11.020 | |||
CHEMBL548 | 3080 | 75 | None | -1 | 24 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.bmcl.2007.11.020 | |||
DB00917 | 3080 | 75 | None | -1 | 24 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.bmcl.2007.11.020 | |||
24953284 | 132116 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 501 | 6 | 2 | 3 | 6.9 | C[C@H](NC(=O)c1c(Cl)sc(Cl)c1Cc1cccc(C(F)(F)F)c1)c1ccc(C(=O)O)cc1 | nan | |||
CHEMBL3695943 | 132116 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 501 | 6 | 2 | 3 | 6.9 | C[C@H](NC(=O)c1c(Cl)sc(Cl)c1Cc1cccc(C(F)(F)F)c1)c1ccc(C(=O)O)cc1 | nan | |||
24953624 | 201188 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 473 | 6 | 2 | 3 | 6.1 | Cc1sc(C)c(C(=O)NC2(c3ccc(C(=O)O)cc3)CC2)c1Cc1cccc(C(F)(F)F)c1 | nan | |||
CHEMBL603462 | 201188 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 473 | 6 | 2 | 3 | 6.1 | Cc1sc(C)c(C(=O)NC2(c3ccc(C(=O)O)cc3)CC2)c1Cc1cccc(C(F)(F)F)c1 | nan | |||
44290266 | 161706 | 0 | None | 5 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 353 | 12 | 3 | 4 | 2.3 | CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)N1C/C=C/CCCC(=O)O | 10.1016/j.bmcl.2004.01.063 | |||
CHEMBL413509 | 161706 | 0 | None | 5 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 353 | 12 | 3 | 4 | 2.3 | CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)N1C/C=C/CCCC(=O)O | 10.1016/j.bmcl.2004.01.063 | |||
57396659 | 71299 | 0 | None | 114 | 3 | Mouse | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 431 | 9 | 2 | 5 | 4.0 | Cc1cccc(C[C@H](O)/C=C/[C@H]2CCC(=O)N2CCSc2ccc(C(=O)O)s2)c1 | 10.1016/j.bmc.2012.02.018 | |||
CHEMBL1957430 | 71299 | 0 | None | 114 | 3 | Mouse | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 431 | 9 | 2 | 5 | 4.0 | Cc1cccc(C[C@H](O)/C=C/[C@H]2CCC(=O)N2CCSc2ccc(C(=O)O)s2)c1 | 10.1016/j.bmc.2012.02.018 | |||
57403612 | 71303 | 0 | None | 239 | 3 | Mouse | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 433 | 9 | 2 | 4 | 4.2 | O=C(O)c1ccc(CCCN2C(=O)CC[C@@H]2/C=C/[C@@H](O)Cc2cccc(Cl)c2)s1 | 10.1016/j.bmc.2012.02.018 | |||
CHEMBL1957434 | 71303 | 0 | None | 239 | 3 | Mouse | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 433 | 9 | 2 | 4 | 4.2 | O=C(O)c1ccc(CCCN2C(=O)CC[C@@H]2/C=C/[C@@H](O)Cc2cccc(Cl)c2)s1 | 10.1016/j.bmc.2012.02.018 | |||
118510801 | 150998 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 428 | 8 | 2 | 3 | 5.2 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2ccc3ccccc3c2)cc1 | nan | |||
CHEMBL3958395 | 150998 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 428 | 8 | 2 | 3 | 5.2 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2ccc3ccccc3c2)cc1 | nan | |||
57384034 | 71305 | 0 | None | 2 | 3 | Mouse | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 528 | 10 | 2 | 6 | 5.4 | O=C(O)c1csc(SCCN2C(=O)CC[C@@H]2/C=C/[C@@H](O)Cc2cccc(-c3ccc(Cl)cc3)c2)n1 | 10.1016/j.bmc.2012.02.018 | |||
CHEMBL1957436 | 71305 | 0 | None | 2 | 3 | Mouse | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 528 | 10 | 2 | 6 | 5.4 | O=C(O)c1csc(SCCN2C(=O)CC[C@@H]2/C=C/[C@@H](O)Cc2cccc(-c3ccc(Cl)cc3)c2)n1 | 10.1016/j.bmc.2012.02.018 | |||
24765768 | 7083 | 0 | None | 77 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 466 | 6 | 2 | 3 | 6.2 | C[C@H](NC(=O)c1cc(Cl)cc2ccn(Cc3cccc(Cl)c3)c12)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2010.04.065 | |||
CHEMBL1085040 | 7083 | 0 | None | 77 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 466 | 6 | 2 | 3 | 6.2 | C[C@H](NC(=O)c1cc(Cl)cc2ccn(Cc3cccc(Cl)c3)c12)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2010.04.065 | |||
57384034 | 71305 | 0 | None | 2 | 3 | Mouse | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 528 | 10 | 2 | 6 | 5.4 | O=C(O)c1csc(SCCN2C(=O)CC[C@@H]2/C=C/[C@@H](O)Cc2cccc(-c3ccc(Cl)cc3)c2)n1 | 10.1016/j.bmc.2012.04.008 | |||
CHEMBL1957436 | 71305 | 0 | None | 2 | 3 | Mouse | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 528 | 10 | 2 | 6 | 5.4 | O=C(O)c1csc(SCCN2C(=O)CC[C@@H]2/C=C/[C@@H](O)Cc2cccc(-c3ccc(Cl)cc3)c2)n1 | 10.1016/j.bmc.2012.04.008 | |||
10431288 | 69364 | 0 | None | 1318 | 3 | Mouse | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 403 | 12 | 2 | 3 | 4.5 | CCc1cccc(C[C@H](O)/C=C/[C@H]2CCC(=S)N2CCCCCCC(=O)O)c1 | 10.1016/j.bmc.2011.12.009 | |||
CHEMBL1929546 | 69364 | 0 | None | 1318 | 3 | Mouse | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 403 | 12 | 2 | 3 | 4.5 | CCc1cccc(C[C@H](O)/C=C/[C@H]2CCC(=S)N2CCCCCCC(=O)O)c1 | 10.1016/j.bmc.2011.12.009 | |||
24953283 | 199446 | 0 | None | 426 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 467 | 6 | 2 | 3 | 6.5 | C[C@@H](NC(=O)c1c(Cl)sc(Cl)c1Cc1cccc(Cl)c1)c1ccc(C(=O)O)cc1 | 10.1021/jm901771h | |||
CHEMBL591431 | 199446 | 0 | None | 426 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 467 | 6 | 2 | 3 | 6.5 | C[C@@H](NC(=O)c1c(Cl)sc(Cl)c1Cc1cccc(Cl)c1)c1ccc(C(=O)O)cc1 | 10.1021/jm901771h | |||
10093793 | 69358 | 0 | None | 74 | 3 | Mouse | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 423 | 12 | 2 | 5 | 3.8 | CCc1cccc(C[C@H](O)/C=C/[C@H]2CSC(=O)N2CCSCCCC(=O)O)c1 | 10.1016/j.bmc.2011.12.009 | |||
CHEMBL1929540 | 69358 | 0 | None | 74 | 3 | Mouse | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 423 | 12 | 2 | 5 | 3.8 | CCc1cccc(C[C@H](O)/C=C/[C@H]2CSC(=O)N2CCSCCCC(=O)O)c1 | 10.1016/j.bmc.2011.12.009 | |||
57894115 | 75160 | 0 | None | - | 1 | Mouse | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 484 | 14 | 2 | 6 | 3.7 | O=C(O)CCCSCCN1C(=O)CC[C@@H]1/C=C/[C@@H](O)Cc1cccc(OCc2ccccn2)c1 | 10.1016/j.bmc.2012.04.008 | |||
CHEMBL2036316 | 75160 | 0 | None | - | 1 | Mouse | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 484 | 14 | 2 | 6 | 3.7 | O=C(O)CCCSCCN1C(=O)CC[C@@H]1/C=C/[C@@H](O)Cc1cccc(OCc2ccccn2)c1 | 10.1016/j.bmc.2012.04.008 | |||
72949915 | 143331 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 451 | 14 | 2 | 3 | 4.8 | C[C@@H](CCCc1ccccc1)[C@H](O)/C=C/[C@H]1CC(F)(F)C(=O)N1CCCCCCC(=O)O | nan | |||
CHEMBL3897335 | 143331 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 451 | 14 | 2 | 3 | 4.8 | C[C@@H](CCCc1ccccc1)[C@H](O)/C=C/[C@H]1CC(F)(F)C(=O)N1CCCCCCC(=O)O | nan | |||
24953283 | 199446 | 0 | None | 426 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 467 | 6 | 2 | 3 | 6.5 | C[C@@H](NC(=O)c1c(Cl)sc(Cl)c1Cc1cccc(Cl)c1)c1ccc(C(=O)O)cc1 | nan | |||
CHEMBL591431 | 199446 | 0 | None | 426 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 467 | 6 | 2 | 3 | 6.5 | C[C@@H](NC(=O)c1c(Cl)sc(Cl)c1Cc1cccc(Cl)c1)c1ccc(C(=O)O)cc1 | nan | |||
24953285 | 200867 | 0 | None | 53 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 453 | 6 | 2 | 3 | 5.9 | O=C(O)c1ccc(CNC(=O)c2c(Cl)sc(Cl)c2Cc2cccc(Cl)c2)cc1 | nan | |||
CHEMBL601299 | 200867 | 0 | None | 53 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 453 | 6 | 2 | 3 | 5.9 | O=C(O)c1ccc(CNC(=O)c2c(Cl)sc(Cl)c2Cc2cccc(Cl)c2)cc1 | nan | |||
57391585 | 69465 | 0 | None | 457 | 2 | Mouse | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 393 | 8 | 2 | 3 | 3.4 | Cc1cccc(C[C@H](O)/C=C/[C@H]2CCC(=O)N2CCc2ccc(C(=O)O)cc2)c1 | 10.1016/j.bmcl.2011.10.109 | |||
CHEMBL1933718 | 69465 | 0 | None | 457 | 2 | Mouse | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 393 | 8 | 2 | 3 | 3.4 | Cc1cccc(C[C@H](O)/C=C/[C@H]2CCC(=O)N2CCc2ccc(C(=O)O)cc2)c1 | 10.1016/j.bmcl.2011.10.109 | |||
57391585 | 69465 | 0 | None | 457 | 2 | Mouse | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 393 | 8 | 2 | 3 | 3.4 | Cc1cccc(C[C@H](O)/C=C/[C@H]2CCC(=O)N2CCc2ccc(C(=O)O)cc2)c1 | 10.1016/j.bmc.2012.02.018 | |||
CHEMBL1933718 | 69465 | 0 | None | 457 | 2 | Mouse | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 393 | 8 | 2 | 3 | 3.4 | Cc1cccc(C[C@H](O)/C=C/[C@H]2CCC(=O)N2CCc2ccc(C(=O)O)cc2)c1 | 10.1016/j.bmc.2012.02.018 | |||
11249458 | 69254 | 0 | None | 5 | 2 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 523 | 15 | 4 | 6 | 4.0 | O=C(O)CCCCCNC(=O)[C@H](CCCNC(=O)OCc1ccccc1)NC(=O)c1cc2ccccc2o1 | 10.1021/jm050085k | |||
CHEMBL192729 | 69254 | 0 | None | 5 | 2 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 523 | 15 | 4 | 6 | 4.0 | O=C(O)CCCCCNC(=O)[C@H](CCCNC(=O)OCc1ccccc1)NC(=O)c1cc2ccccc2o1 | 10.1021/jm050085k | |||
12137443 | 84701 | 0 | None | 5495 | 4 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 491 | 9 | 2 | 3 | 6.1 | Cc1cc(Cl)ccc1-c1cccc([C@H](O)CC[C@H]2CCC(=O)N2CCc2ccc(C(=O)O)cc2)c1 | 10.1021/jm049290a | |||
CHEMBL222677 | 84701 | 0 | None | 5495 | 4 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 491 | 9 | 2 | 3 | 6.1 | Cc1cc(Cl)ccc1-c1cccc([C@H](O)CC[C@H]2CCC(=O)N2CCc2ccc(C(=O)O)cc2)c1 | 10.1021/jm049290a | |||
57394893 | 71304 | 0 | None | 3 | 4 | Mouse | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 494 | 10 | 2 | 6 | 4.8 | O=C(O)c1csc(SCCN2C(=O)CC[C@@H]2/C=C/[C@@H](O)Cc2cccc(-c3ccccc3)c2)n1 | 10.1016/j.bmc.2012.02.018 | |||
CHEMBL1957435 | 71304 | 0 | None | 3 | 4 | Mouse | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 494 | 10 | 2 | 6 | 4.8 | O=C(O)c1csc(SCCN2C(=O)CC[C@@H]2/C=C/[C@@H](O)Cc2cccc(-c3ccccc3)c2)n1 | 10.1016/j.bmc.2012.02.018 | |||
57394893 | 71304 | 0 | None | 3 | 4 | Mouse | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 494 | 10 | 2 | 6 | 4.8 | O=C(O)c1csc(SCCN2C(=O)CC[C@@H]2/C=C/[C@@H](O)Cc2cccc(-c3ccccc3)c2)n1 | 10.1016/j.bmc.2012.04.008 | |||
CHEMBL1957435 | 71304 | 0 | None | 3 | 4 | Mouse | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 494 | 10 | 2 | 6 | 4.8 | O=C(O)c1csc(SCCN2C(=O)CC[C@@H]2/C=C/[C@@H](O)Cc2cccc(-c3ccccc3)c2)n1 | 10.1016/j.bmc.2012.04.008 | |||
15947639 | 97479 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 737 | 11 | 1 | 8 | 6.3 | COc1ccccc1C1(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 | |||
CHEMBL270223 | 97479 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 737 | 11 | 1 | 8 | 6.3 | COc1ccccc1C1(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 | |||
53317904 | 56870 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 536 | 7 | 2 | 6 | 5.5 | COC(=O)c1sc2c(C)cc(C)cc2c1-c1ccc(CCNC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1 | 10.1016/j.bmcl.2010.11.118 | |||
CHEMBL1644002 | 56870 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 536 | 7 | 2 | 6 | 5.5 | COC(=O)c1sc2c(C)cc(C)cc2c1-c1ccc(CCNC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1 | 10.1016/j.bmcl.2010.11.118 | |||
10004602 | 69360 | 0 | None | 288 | 2 | Mouse | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 463 | 11 | 2 | 5 | 4.3 | O=C(O)CCCSCCN1C(=O)SC[C@@H]1/C=C/[C@@H](O)Cc1cccc(C(F)(F)F)c1 | 10.1016/j.bmc.2011.12.009 | |||
CHEMBL1929542 | 69360 | 0 | None | 288 | 2 | Mouse | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 463 | 11 | 2 | 5 | 4.3 | O=C(O)CCCSCCN1C(=O)SC[C@@H]1/C=C/[C@@H](O)Cc1cccc(C(F)(F)F)c1 | 10.1016/j.bmc.2011.12.009 | |||
11577792 | 159316 | 19 | None | -1 | 5 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 414 | 6 | 2 | 4 | 4.9 | C[C@H](NC(=O)c1cc(Cl)cnc1Oc1cccc(F)c1)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2017.01.067 | |||
CHEMBL4099851 | 159316 | 19 | None | -1 | 5 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 414 | 6 | 2 | 4 | 4.9 | C[C@H](NC(=O)c1cc(Cl)cnc1Oc1cccc(F)c1)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2017.01.067 | |||
24952929 | 2552 | 42 | None | 1 | 5 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 473 | 6 | 2 | 3 | 6.1 | OC(=O)c1ccc(cc1)C1(CC1)NC(=O)c1c(C)sc(c1Cc1ccc(cc1)C(F)(F)F)C | 10.1021/jm901771h | |||
4041 | 2552 | 42 | None | 1 | 5 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 473 | 6 | 2 | 3 | 6.1 | OC(=O)c1ccc(cc1)C1(CC1)NC(=O)c1c(C)sc(c1Cc1ccc(cc1)C(F)(F)F)C | 10.1021/jm901771h | |||
CHEMBL597997 | 2552 | 42 | None | 1 | 5 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 473 | 6 | 2 | 3 | 6.1 | OC(=O)c1ccc(cc1)C1(CC1)NC(=O)c1c(C)sc(c1Cc1ccc(cc1)C(F)(F)F)C | 10.1021/jm901771h | |||
53325842 | 56889 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 430 | 6 | 1 | 5 | 5.3 | Cc1cc(C)c2sc(C(=O)N(C)C)c(-c3ccc(CCNc4ncccn4)cc3)c2c1 | 10.1016/j.bmcl.2010.11.118 | |||
CHEMBL1644020 | 56889 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 430 | 6 | 1 | 5 | 5.3 | Cc1cc(C)c2sc(C(=O)N(C)C)c(-c3ccc(CCNc4ncccn4)cc3)c2c1 | 10.1016/j.bmcl.2010.11.118 | |||
10048720 | 69359 | 0 | None | 1230 | 2 | Mouse | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 437 | 13 | 2 | 5 | 4.2 | CCCc1cccc(C[C@H](O)/C=C/[C@H]2CSC(=O)N2CCSCCCC(=O)O)c1 | 10.1016/j.bmc.2011.12.009 | |||
CHEMBL1929541 | 69359 | 0 | None | 1230 | 2 | Mouse | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 437 | 13 | 2 | 5 | 4.2 | CCCc1cccc(C[C@H](O)/C=C/[C@H]2CSC(=O)N2CCSCCCC(=O)O)c1 | 10.1016/j.bmc.2011.12.009 | |||
11440167 | 84716 | 0 | None | 75 | 3 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 371 | 9 | 2 | 3 | 3.4 | O=C(O)c1ccc(CCN2C(=O)CC[C@@H]2/C=C/[C@@H](O)CCC2CCC2)cc1 | 10.1021/jm049290a | |||
CHEMBL222782 | 84716 | 0 | None | 75 | 3 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 371 | 9 | 2 | 3 | 3.4 | O=C(O)c1ccc(CCN2C(=O)CC[C@@H]2/C=C/[C@@H](O)CCC2CCC2)cc1 | 10.1021/jm049290a | |||
44454020 | 155071 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 598 | 9 | 1 | 6 | 5.9 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CS(=O)(=O)NC(=O)C3CCCc4ccccc43)cc1)C2 | 10.1016/j.bmcl.2008.01.103 | |||
CHEMBL401795 | 155071 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 598 | 9 | 1 | 6 | 5.9 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CS(=O)(=O)NC(=O)C3CCCc4ccccc43)cc1)C2 | 10.1016/j.bmcl.2008.01.103 | |||
23661015 | 57113 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 492 | 6 | 2 | 5 | 4.9 | C[C@H](NC(=O)c1cccc2c1N(Cc1ccc(C(F)(F)F)cc1)CC2)c1ccc(-c2nn[nH]n2)cc1 | 10.1016/j.bmcl.2010.10.106 | |||
CHEMBL1645152 | 57113 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 492 | 6 | 2 | 5 | 4.9 | C[C@H](NC(=O)c1cccc2c1N(Cc1ccc(C(F)(F)F)cc1)CC2)c1ccc(-c2nn[nH]n2)cc1 | 10.1016/j.bmcl.2010.10.106 | |||
44442327 | 94457 | 0 | None | 147 | 3 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 345 | 9 | 2 | 3 | 3.0 | CCCC[C@H](O)/C=C/[C@H]1CCC(=O)N1CCc1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2007.11.020 | |||
CHEMBL251294 | 94457 | 0 | None | 147 | 3 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 345 | 9 | 2 | 3 | 3.0 | CCCC[C@H](O)/C=C/[C@H]1CCC(=O)N1CCc1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2007.11.020 | |||
44455236 | 95473 | 0 | None | 53 | 2 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 373 | 11 | 2 | 3 | 3.8 | CCCCCC[C@H](O)/C=C/[C@H]1CCC(=O)N1CCc1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2007.11.020 | |||
CHEMBL257217 | 95473 | 0 | None | 53 | 2 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 373 | 11 | 2 | 3 | 3.8 | CCCCCC[C@H](O)/C=C/[C@H]1CCC(=O)N1CCc1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2007.11.020 | |||
118517359 | 144394 | 0 | None | 114 | 2 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 456 | 8 | 2 | 3 | 4.8 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2cccc(Br)c2)cc1 | nan | |||
CHEMBL3906016 | 144394 | 0 | None | 114 | 2 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 456 | 8 | 2 | 3 | 4.8 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2cccc(Br)c2)cc1 | nan | |||
118517361 | 153368 | 0 | None | 218 | 2 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 446 | 8 | 2 | 3 | 5.1 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2cccc(C(F)(F)F)c2)cc1 | nan | |||
CHEMBL3978590 | 153368 | 0 | None | 218 | 2 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 446 | 8 | 2 | 3 | 5.1 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2cccc(C(F)(F)F)c2)cc1 | nan | |||
53326912 | 56866 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 391 | 4 | 1 | 5 | 4.0 | Cc1cc(C)c2sc(C(=O)N(C)C)c(-c3ccc(Cc4nn[nH]n4)cc3)c2c1 | 10.1016/j.bmcl.2010.11.118 | |||
CHEMBL1643998 | 56866 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 391 | 4 | 1 | 5 | 4.0 | Cc1cc(C)c2sc(C(=O)N(C)C)c(-c3ccc(Cc4nn[nH]n4)cc3)c2c1 | 10.1016/j.bmcl.2010.11.118 | |||
10026946 | 75151 | 0 | None | - | 1 | Mouse | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 453 | 12 | 2 | 4 | 4.4 | O=C(O)CCCSCCN1C(=O)CC[C@@H]1/C=C/[C@@H](O)Cc1cccc(-c2ccccc2)c1 | 10.1016/j.bmc.2012.04.008 | |||
CHEMBL2036307 | 75151 | 0 | None | - | 1 | Mouse | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 453 | 12 | 2 | 4 | 4.4 | O=C(O)CCCSCCN1C(=O)CC[C@@H]1/C=C/[C@@H](O)Cc1cccc(-c2ccccc2)c1 | 10.1016/j.bmc.2012.04.008 | |||
5859 | 3765 | 26 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 383 | 11 | 2 | 5 | 2.5 | O[C@@H](Cc1ccccc1)/C=C/[C@H]1CCC(=O)N1CCCCCCc1nnn[nH]1 | 10.1016/s0960-894x(03)00042-8 | |||
9864831 | 3765 | 26 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 383 | 11 | 2 | 5 | 2.5 | O[C@@H](Cc1ccccc1)/C=C/[C@H]1CCC(=O)N1CCCCCCc1nnn[nH]1 | 10.1016/s0960-894x(03)00042-8 | |||
CHEMBL275667 | 3765 | 26 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 383 | 11 | 2 | 5 | 2.5 | O[C@@H](Cc1ccccc1)/C=C/[C@H]1CCC(=O)N1CCCCCCc1nnn[nH]1 | 10.1016/s0960-894x(03)00042-8 | |||
11743927 | 69362 | 0 | None | - | 1 | Mouse | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 439 | 13 | 2 | 6 | 3.4 | COCc1cccc(C[C@H](O)/C=C/[C@H]2CSC(=O)N2CCSCCCC(=O)O)c1 | 10.1016/j.bmc.2011.12.009 | |||
CHEMBL1929544 | 69362 | 0 | None | - | 1 | Mouse | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 439 | 13 | 2 | 6 | 3.4 | COCc1cccc(C[C@H](O)/C=C/[C@H]2CSC(=O)N2CCSCCCC(=O)O)c1 | 10.1016/j.bmc.2011.12.009 | |||
72948294 | 149955 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 439 | 9 | 2 | 4 | 4.0 | CCC#CC[C@H](C)[C@H](O)/C=C/[C@H]1CC(F)(F)C(=O)N1CCCc1ccc(C(=O)O)s1 | nan | |||
CHEMBL3949856 | 149955 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 439 | 9 | 2 | 4 | 4.0 | CCC#CC[C@H](C)[C@H](O)/C=C/[C@H]1CC(F)(F)C(=O)N1CCCc1ccc(C(=O)O)s1 | nan | |||
24952580 | 200560 | 0 | None | 575 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 467 | 6 | 2 | 3 | 6.5 | C[C@H](NC(=O)c1c(Cl)sc(Cl)c1Cc1cccc(Cl)c1)c1ccc(C(=O)O)cc1 | nan | |||
CHEMBL599052 | 200560 | 0 | None | 575 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 467 | 6 | 2 | 3 | 6.5 | C[C@H](NC(=O)c1c(Cl)sc(Cl)c1Cc1cccc(Cl)c1)c1ccc(C(=O)O)cc1 | nan | |||
24952580 | 200560 | 0 | None | 575 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 467 | 6 | 2 | 3 | 6.5 | C[C@H](NC(=O)c1c(Cl)sc(Cl)c1Cc1cccc(Cl)c1)c1ccc(C(=O)O)cc1 | 10.1021/jm901771h | |||
CHEMBL599052 | 200560 | 0 | None | 575 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 467 | 6 | 2 | 3 | 6.5 | C[C@H](NC(=O)c1c(Cl)sc(Cl)c1Cc1cccc(Cl)c1)c1ccc(C(=O)O)cc1 | 10.1021/jm901771h | |||
18444622 | 110727 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 513 | 9 | 1 | 6 | 5.6 | Cc1oc(C(=O)NS(=O)(=O)c2ccccc2)cc1COc1ccc(-c2ccc(OC(F)F)cc2)cc1 | 10.1016/j.bmcl.2014.02.068 | |||
CHEMBL3260457 | 110727 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 513 | 9 | 1 | 6 | 5.6 | Cc1oc(C(=O)NS(=O)(=O)c2ccccc2)cc1COc1ccc(-c2ccc(OC(F)F)cc2)cc1 | 10.1016/j.bmcl.2014.02.068 | |||
58824161 | 110733 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 496 | 8 | 1 | 8 | 4.6 | COc1ccc(-c2ccc(OCc3cc(C(=O)NS(=O)(=O)c4c(C)noc4C)oc3C)cc2)cc1 | 10.1016/j.bmcl.2014.02.068 | |||
CHEMBL3260463 | 110733 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 496 | 8 | 1 | 8 | 4.6 | COc1ccc(-c2ccc(OCc3cc(C(=O)NS(=O)(=O)c4c(C)noc4C)oc3C)cc2)cc1 | 10.1016/j.bmcl.2014.02.068 | |||
24952927 | 201229 | 0 | None | 851 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 461 | 6 | 2 | 3 | 6.2 | Cc1sc(C)c(C(=O)N[C@@H](C)c2ccc(C(=O)O)cc2)c1Cc1ccc(C(F)(F)F)cc1 | nan | |||
CHEMBL603690 | 201229 | 0 | None | 851 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 461 | 6 | 2 | 3 | 6.2 | Cc1sc(C)c(C(=O)N[C@@H](C)c2ccc(C(=O)O)cc2)c1Cc1ccc(C(F)(F)F)cc1 | nan | |||
50898361 | 56871 | 0 | None | 48 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 549 | 7 | 2 | 5 | 5.4 | Cc1ccc(S(=O)(=O)NC(=O)NCCc2ccc(-c3c(C(=O)N(C)C)sc4c(C)cc(C)cc34)cc2)cc1 | 10.1016/j.bmcl.2010.11.118 | |||
CHEMBL1644003 | 56871 | 0 | None | 48 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 549 | 7 | 2 | 5 | 5.4 | Cc1ccc(S(=O)(=O)NC(=O)NCCc2ccc(-c3c(C(=O)N(C)C)sc4c(C)cc(C)cc34)cc2)cc1 | 10.1016/j.bmcl.2010.11.118 | |||
57393340 | 69473 | 0 | None | 10 | 4 | Mouse | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 530 | 12 | 2 | 7 | 4.2 | O=C(O)c1csc(SCCN2C(=O)CC[C@@H]2/C=C/[C@@H](O)Cc2cccc(COCC(F)(F)F)c2)n1 | 10.1016/j.bmcl.2011.10.109 | |||
CHEMBL1933726 | 69473 | 0 | None | 10 | 4 | Mouse | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 530 | 12 | 2 | 7 | 4.2 | O=C(O)c1csc(SCCN2C(=O)CC[C@@H]2/C=C/[C@@H](O)Cc2cccc(COCC(F)(F)F)c2)n1 | 10.1016/j.bmcl.2011.10.109 | |||
24952927 | 201229 | 0 | None | 851 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 461 | 6 | 2 | 3 | 6.2 | Cc1sc(C)c(C(=O)N[C@@H](C)c2ccc(C(=O)O)cc2)c1Cc1ccc(C(F)(F)F)cc1 | 10.1021/jm901771h | |||
CHEMBL603690 | 201229 | 0 | None | 851 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 461 | 6 | 2 | 3 | 6.2 | Cc1sc(C)c(C(=O)N[C@@H](C)c2ccc(C(=O)O)cc2)c1Cc1ccc(C(F)(F)F)cc1 | 10.1021/jm901771h | |||
11338951 | 69353 | 0 | None | 416 | 2 | Mouse | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 413 | 11 | 2 | 5 | 3.2 | O=C(O)CCCSCCN1C(=O)OC[C@@H]1/C=C/[C@@H](O)Cc1cccc(Cl)c1 | 10.1016/j.bmc.2011.12.009 | |||
CHEMBL1929535 | 69353 | 0 | None | 416 | 2 | Mouse | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 413 | 11 | 2 | 5 | 3.2 | O=C(O)CCCSCCN1C(=O)OC[C@@H]1/C=C/[C@@H](O)Cc1cccc(Cl)c1 | 10.1016/j.bmc.2011.12.009 | |||
10001791 | 69361 | 0 | None | 1174 | 2 | Mouse | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 413 | 11 | 2 | 5 | 3.4 | O=C(O)CCCSCCN1C(=O)SC[C@@H]1/C=C/[C@@H](O)Cc1cccc(F)c1 | 10.1016/j.bmc.2011.12.009 | |||
CHEMBL1929543 | 69361 | 0 | None | 1174 | 2 | Mouse | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 413 | 11 | 2 | 5 | 3.4 | O=C(O)CCCSCCN1C(=O)SC[C@@H]1/C=C/[C@@H](O)Cc1cccc(F)c1 | 10.1016/j.bmc.2011.12.009 | |||
10384865 | 69363 | 0 | None | 1513 | 2 | Mouse | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 375 | 11 | 2 | 3 | 4.0 | O=C(O)CCCCCCN1C(=S)CC[C@@H]1/C=C/[C@@H](O)Cc1ccccc1 | 10.1016/j.bmc.2011.12.009 | |||
CHEMBL1929545 | 69363 | 0 | None | 1513 | 2 | Mouse | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 375 | 11 | 2 | 3 | 4.0 | O=C(O)CCCCCCN1C(=S)CC[C@@H]1/C=C/[C@@H](O)Cc1ccccc1 | 10.1016/j.bmc.2011.12.009 | |||
57395059 | 69472 | 0 | None | 12 | 3 | Mouse | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 418 | 9 | 2 | 6 | 3.1 | O=C(O)c1csc(SCCN2C(=O)CC[C@@H]2/C=C/[C@@H](O)Cc2ccccc2)n1 | 10.1016/j.bmcl.2011.10.109 | |||
CHEMBL1933725 | 69472 | 0 | None | 12 | 3 | Mouse | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 418 | 9 | 2 | 6 | 3.1 | O=C(O)c1csc(SCCN2C(=O)CC[C@@H]2/C=C/[C@@H](O)Cc2ccccc2)n1 | 10.1016/j.bmcl.2011.10.109 | |||
57395059 | 69472 | 0 | None | 12 | 3 | Mouse | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 418 | 9 | 2 | 6 | 3.1 | O=C(O)c1csc(SCCN2C(=O)CC[C@@H]2/C=C/[C@@H](O)Cc2ccccc2)n1 | 10.1016/j.bmc.2012.02.018 | |||
CHEMBL1933725 | 69472 | 0 | None | 12 | 3 | Mouse | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 418 | 9 | 2 | 6 | 3.1 | O=C(O)c1csc(SCCN2C(=O)CC[C@@H]2/C=C/[C@@H](O)Cc2ccccc2)n1 | 10.1016/j.bmc.2012.02.018 | |||
23660504 | 57100 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 484 | 7 | 2 | 4 | 5.3 | C[C@H](NC(=O)c1cccc2c1N(Cc1ccc(OC(F)(F)F)cc1)CC2)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2010.10.106 | |||
CHEMBL1645139 | 57100 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 484 | 7 | 2 | 4 | 5.3 | C[C@H](NC(=O)c1cccc2c1N(Cc1ccc(OC(F)(F)F)cc1)CC2)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2010.10.106 | |||
53320545 | 56888 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 538 | 7 | 1 | 3 | 7.1 | Cc1cc(C)c2sc(C(=O)N(C)C)c(-c3ccc(CCNC(=O)Cc4c(Cl)cccc4Cl)cc3)c2c1 | 10.1016/j.bmcl.2010.11.118 | |||
CHEMBL1644019 | 56888 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 538 | 7 | 1 | 3 | 7.1 | Cc1cc(C)c2sc(C(=O)N(C)C)c(-c3ccc(CCNC(=O)Cc4c(Cl)cccc4Cl)cc3)c2c1 | 10.1016/j.bmcl.2010.11.118 | |||
15947857 | 155511 | 7 | None | 34 | 7 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 767 | 12 | 1 | 9 | 6.3 | COc1cccc(OC)c1C1(C(=O)NS(=O)(=O)Cc2ccc(N3Cc4c(c(OCC(F)(F)F)c5cccnc5c4OCC(F)(F)F)C3=O)c(C)c2)CC1 | 10.1016/j.bmcl.2008.01.103 | |||
CHEMBL404199 | 155511 | 7 | None | 34 | 7 | Human | 8.8 | pKi | = | 8.8 | 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 | |||
10202765 | 172685 | 0 | None | 8128 | 3 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 427 | 11 | 2 | 3 | 4.2 | O=C(O)CCCCCCN1C(=O)CC[C@@H]1/C=C/[C@@H](O)Cc1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2004.01.063 | |||
CHEMBL45008 | 172685 | 0 | None | 8128 | 3 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 427 | 11 | 2 | 3 | 4.2 | O=C(O)CCCCCCN1C(=O)CC[C@@H]1/C=C/[C@@H](O)Cc1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2004.01.063 | |||
44289922 | 163522 | 0 | None | 3 | 5 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 339 | 13 | 2 | 3 | 3.5 | CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)N1CCCCCCC(=O)O | 10.1021/acs.jmedchem.9b00336 | |||
CHEMBL42027 | 163522 | 0 | None | 3 | 5 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 339 | 13 | 2 | 3 | 3.5 | CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)N1CCCCCCC(=O)O | 10.1021/acs.jmedchem.9b00336 | |||
10291963 | 84706 | 0 | None | 1 | 6 | Mouse | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 359 | 10 | 2 | 3 | 3.4 | CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)N1CCc1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2011.10.109 | |||
CHEMBL222715 | 84706 | 0 | None | 1 | 6 | Mouse | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 359 | 10 | 2 | 3 | 3.4 | CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)N1CCc1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2011.10.109 | |||
10291963 | 84706 | 0 | None | 1 | 6 | Mouse | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 359 | 10 | 2 | 3 | 3.4 | CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)N1CCc1ccc(C(=O)O)cc1 | 10.1016/j.bmc.2012.02.018 | |||
CHEMBL222715 | 84706 | 0 | None | 1 | 6 | Mouse | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 359 | 10 | 2 | 3 | 3.4 | CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)N1CCc1ccc(C(=O)O)cc1 | 10.1016/j.bmc.2012.02.018 | |||
57894063 | 75163 | 0 | None | 5 | 3 | Mouse | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 524 | 11 | 2 | 7 | 4.8 | COc1ccc(-c2cccc(C[C@H](O)/C=C/[C@H]3CCC(=O)N3CCSc3nc(C(=O)O)cs3)c2)cc1 | 10.1016/j.bmc.2012.04.008 | |||
CHEMBL2036319 | 75163 | 0 | None | 5 | 3 | Mouse | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 524 | 11 | 2 | 7 | 4.8 | COc1ccc(-c2cccc(C[C@H](O)/C=C/[C@H]3CCC(=O)N3CCSc3nc(C(=O)O)cs3)c2)cc1 | 10.1016/j.bmc.2012.04.008 | |||
24952925 | 132113 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 483 | 6 | 3 | 4 | 6.0 | C[C@H](NC(=O)c1c(Cl)sc(Cl)c1C(O)c1cccc(Cl)c1)c1ccc(C(=O)O)cc1 | nan | |||
CHEMBL3695940 | 132113 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 483 | 6 | 3 | 4 | 6.0 | C[C@H](NC(=O)c1c(Cl)sc(Cl)c1C(O)c1cccc(Cl)c1)c1ccc(C(=O)O)cc1 | nan | |||
12002526 | 69464 | 0 | None | 3162 | 2 | Mouse | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 391 | 11 | 2 | 4 | 3.0 | Cc1cccc(C[C@H](O)/C=C/[C@H]2CCC(=O)N2CCSCCCC(=O)O)c1 | 10.1016/j.bmcl.2011.10.109 | |||
CHEMBL1933717 | 69464 | 0 | None | 3162 | 2 | Mouse | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 391 | 11 | 2 | 4 | 3.0 | Cc1cccc(C[C@H](O)/C=C/[C@H]2CCC(=O)N2CCSCCCC(=O)O)c1 | 10.1016/j.bmcl.2011.10.109 | |||
12002526 | 69464 | 0 | None | 3162 | 2 | Mouse | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 391 | 11 | 2 | 4 | 3.0 | Cc1cccc(C[C@H](O)/C=C/[C@H]2CCC(=O)N2CCSCCCC(=O)O)c1 | 10.1016/j.bmc.2012.02.018 | |||
CHEMBL1933717 | 69464 | 0 | None | 3162 | 2 | Mouse | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 391 | 11 | 2 | 4 | 3.0 | Cc1cccc(C[C@H](O)/C=C/[C@H]2CCC(=O)N2CCSCCCC(=O)O)c1 | 10.1016/j.bmc.2012.02.018 | |||
53317328 | 57097 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 418 | 6 | 2 | 3 | 4.6 | C[C@H](NC(=O)c1cccc2c1N(Cc1ccc(F)cc1)CC2)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2010.10.106 | |||
CHEMBL1645136 | 57097 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 418 | 6 | 2 | 3 | 4.6 | C[C@H](NC(=O)c1cccc2c1N(Cc1ccc(F)cc1)CC2)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2010.10.106 | |||
12002526 | 69464 | 0 | None | 3162 | 2 | Mouse | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 391 | 11 | 2 | 4 | 3.0 | Cc1cccc(C[C@H](O)/C=C/[C@H]2CCC(=O)N2CCSCCCC(=O)O)c1 | 10.1016/j.bmc.2012.04.008 | |||
CHEMBL1933717 | 69464 | 0 | None | 3162 | 2 | Mouse | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 391 | 11 | 2 | 4 | 3.0 | Cc1cccc(C[C@H](O)/C=C/[C@H]2CCC(=O)N2CCSCCCC(=O)O)c1 | 10.1016/j.bmc.2012.04.008 | |||
72950260 | 151157 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 437 | 14 | 2 | 3 | 4.6 | O=C(O)CCCCCCN1C(=O)C(F)(F)C[C@@H]1/C=C/[C@@H](O)CCCCc1ccccc1 | nan | |||
CHEMBL3959605 | 151157 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 437 | 14 | 2 | 3 | 4.6 | O=C(O)CCCCCCN1C(=O)C(F)(F)C[C@@H]1/C=C/[C@@H](O)CCCCc1ccccc1 | nan | |||
53321854 | 56865 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 378 | 4 | 1 | 6 | 4.1 | COC(=O)c1sc2c(C)cc(C)cc2c1-c1ccc(Cc2nn[nH]n2)cc1 | 10.1016/j.bmcl.2010.11.118 | |||
CHEMBL1643997 | 56865 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 378 | 4 | 1 | 6 | 4.1 | COC(=O)c1sc2c(C)cc(C)cc2c1-c1ccc(Cc2nn[nH]n2)cc1 | 10.1016/j.bmcl.2010.11.118 | |||
1883 | 3080 | 75 | None | -1 | 24 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1021/jm8007618 | |||
1916 | 3080 | 75 | None | -1 | 24 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1021/jm8007618 | |||
5280360 | 3080 | 75 | None | -1 | 24 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1021/jm8007618 | |||
913 | 3080 | 75 | None | -1 | 24 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1021/jm8007618 | |||
CHEMBL548 | 3080 | 75 | None | -1 | 24 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1021/jm8007618 | |||
DB00917 | 3080 | 75 | None | -1 | 24 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1021/jm8007618 | |||
10410111 | 102839 | 0 | None | 52 | 3 | Mouse | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 424 | 11 | 3 | 6 | 2.7 | Cc1cccc(C[C@H](O)/C=C/[C@H]2[C@H](O)CC(=O)[C@@H]2SCCCSCC(=O)O)c1 | 10.1016/s0960-894x(01)00364-x | |||
CHEMBL305568 | 102839 | 0 | None | 52 | 3 | Mouse | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 424 | 11 | 3 | 6 | 2.7 | Cc1cccc(C[C@H](O)/C=C/[C@H]2[C@H](O)CC(=O)[C@@H]2SCCCSCC(=O)O)c1 | 10.1016/s0960-894x(01)00364-x | |||
118191104 | 136671 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 425 | 5 | 3 | 3 | 5.6 | Cc1ccc(C(=O)O)c(C)c1NC(=O)c1cc(-c2cccc(CO)c2)cc2ccccc12 | 10.1016/j.bmcl.2015.11.023 | |||
CHEMBL3740223 | 136671 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 425 | 5 | 3 | 3 | 5.6 | Cc1ccc(C(=O)O)c(C)c1NC(=O)c1cc(-c2cccc(CO)c2)cc2ccccc12 | 10.1016/j.bmcl.2015.11.023 | |||
53323176 | 56869 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 381 | 5 | 1 | 3 | 4.9 | Cc1cc(C)c2sc(C(=O)N(C)C)c(-c3ccc(CCC(=O)O)cc3)c2c1 | 10.1016/j.bmcl.2010.11.118 | |||
CHEMBL1644001 | 56869 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 381 | 5 | 1 | 3 | 4.9 | Cc1cc(C)c2sc(C(=O)N(C)C)c(-c3ccc(CCC(=O)O)cc3)c2c1 | 10.1016/j.bmcl.2010.11.118 | |||
44290314 | 173972 | 0 | None | 489 | 3 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 403 | 10 | 2 | 4 | 3.9 | O=C(O)CCCCCCN1C(=O)CC[C@@H]1/C=C/C(O)c1ccc(C(F)(F)F)o1 | 10.1016/j.bmcl.2004.01.063 | |||
CHEMBL45418 | 173972 | 0 | None | 489 | 3 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 403 | 10 | 2 | 4 | 3.9 | O=C(O)CCCCCCN1C(=O)CC[C@@H]1/C=C/C(O)c1ccc(C(F)(F)F)o1 | 10.1016/j.bmcl.2004.01.063 | |||
56949974 | 69344 | 0 | None | - | 1 | Mouse | 8.0 | pKi | = | 8 | Binding | ChEMBL | 403 | 13 | 2 | 4 | 3.3 | COCc1cccc(C[C@H](O)/C=C/[C@H]2CCC(=O)N2CCCCCCC(=O)O)c1 | 10.1016/j.bmc.2011.12.009 | |||
CHEMBL1929526 | 69344 | 0 | None | - | 1 | Mouse | 8.0 | pKi | = | 8 | Binding | ChEMBL | 403 | 13 | 2 | 4 | 3.3 | COCc1cccc(C[C@H](O)/C=C/[C@H]2CCC(=O)N2CCCCCCC(=O)O)c1 | 10.1016/j.bmc.2011.12.009 | |||
118510801 | 150998 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 428 | 8 | 2 | 3 | 5.2 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2ccc3ccccc3c2)cc1 | nan | |||
CHEMBL3958395 | 150998 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 428 | 8 | 2 | 3 | 5.2 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2ccc3ccccc3c2)cc1 | nan | |||
56944894 | 129214 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 481 | 9 | 2 | 6 | 4.9 | C[C@H](NC(=O)c1c(C(F)F)nn(C)c1Oc1cccc(OC(F)F)c1)c1ccc(C(=O)O)cc1 | nan | |||
CHEMBL3670688 | 129214 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 481 | 9 | 2 | 6 | 4.9 | C[C@H](NC(=O)c1c(C(F)F)nn(C)c1Oc1cccc(OC(F)F)c1)c1ccc(C(=O)O)cc1 | nan | |||
18444582 | 110810 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 506 | 9 | 2 | 7 | 4.4 | COc1ccc(-c2ccc(OCc3cc(C(=O)NS(=O)(=O)c4ccc(CN)cc4)oc3C)cc2)cc1 | 10.1016/j.bmcl.2014.02.068 | |||
CHEMBL3260761 | 110810 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 506 | 9 | 2 | 7 | 4.4 | COc1ccc(-c2ccc(OCc3cc(C(=O)NS(=O)(=O)c4ccc(CN)cc4)oc3C)cc2)cc1 | 10.1016/j.bmcl.2014.02.068 | |||
46887059 | 8513 | 2 | None | -524 | 2 | Mouse | 7.0 | pKi | = | 7 | Binding | ChEMBL | 487 | 11 | 2 | 3 | 6.7 | Cc1cc(C)cc([C@@H](CC(C)C)NC(=O)c2cc(COc3ccccc3C)ccc2CCC(=O)O)c1 | 10.1016/j.bmc.2010.03.028 | |||
CHEMBL1094157 | 8513 | 2 | None | -524 | 2 | Mouse | 7.0 | pKi | = | 7 | Binding | ChEMBL | 487 | 11 | 2 | 3 | 6.7 | Cc1cc(C)cc([C@@H](CC(C)C)NC(=O)c2cc(COc3ccccc3C)ccc2CCC(=O)O)c1 | 10.1016/j.bmc.2010.03.028 | |||
46201043 | 200580 | 0 | None | -457 | 3 | Mouse | 7.0 | pKi | = | 7 | Binding | ChEMBL | 453 | 9 | 2 | 3 | 5.9 | C[C@@H](NC(=O)c1cc(COc2ccccc2)ccc1CCC(=O)O)c1cccc2ccccc12 | 10.1016/j.bmc.2009.11.023 | |||
CHEMBL599154 | 200580 | 0 | None | -457 | 3 | Mouse | 7.0 | pKi | = | 7 | Binding | ChEMBL | 453 | 9 | 2 | 3 | 5.9 | C[C@@H](NC(=O)c1cc(COc2ccccc2)ccc1CCC(=O)O)c1cccc2ccccc12 | 10.1016/j.bmc.2009.11.023 | |||
44303710 | 102314 | 0 | None | - | 1 | Mouse | 7.0 | pKi | = | 7 | Binding | ChEMBL | 482 | 15 | 3 | 7 | 3.0 | COCCCc1cccc(C[C@H](O)/C=C/[C@H]2[C@H](O)CC(=O)[C@@H]2SCCCSCC(=O)O)c1 | 10.1016/s0960-894x(01)00364-x | |||
CHEMBL303532 | 102314 | 0 | None | - | 1 | Mouse | 7.0 | pKi | = | 7 | Binding | ChEMBL | 482 | 15 | 3 | 7 | 3.0 | COCCCc1cccc(C[C@H](O)/C=C/[C@H]2[C@H](O)CC(=O)[C@@H]2SCCCSCC(=O)O)c1 | 10.1016/s0960-894x(01)00364-x | |||
21362853 | 18530 | 0 | None | -11 | 4 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 408 | 8 | 1 | 2 | 6.6 | O=C(O)CCc1ccccc1-c1cccc(-c2ccccc2COc2ccccc2)c1 | 10.1016/s0960-894x(03)00794-7 | |||
CHEMBL127482 | 18530 | 0 | None | -11 | 4 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 408 | 8 | 1 | 2 | 6.6 | O=C(O)CCc1ccccc1-c1cccc(-c2ccccc2COc2ccccc2)c1 | 10.1016/s0960-894x(03)00794-7 | |||
10118889 | 206271 | 0 | None | -37 | 4 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 521 | 11 | 1 | 5 | 6.3 | O=C(CCc1ccccc1-c1cccc(CSCCc2ccccc2)c1)NS(=O)(=O)c1cccs1 | 10.1016/s0960-894x(02)00518-8 | |||
CHEMBL86933 | 206271 | 0 | None | -37 | 4 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 521 | 11 | 1 | 5 | 6.3 | O=C(CCc1ccccc1-c1cccc(CSCCc2ccccc2)c1)NS(=O)(=O)c1cccs1 | 10.1016/s0960-894x(02)00518-8 | |||
44320321 | 206432 | 0 | None | -2 | 4 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 563 | 12 | 1 | 6 | 6.6 | Cc1cccc(OCCCOc2ccc(-c3ccccc3CC(C)(C)C(=O)NS(=O)(=O)c3cccs3)cc2)c1 | 10.1016/s0960-894x(02)00518-8 | |||
CHEMBL87975 | 206432 | 0 | None | -2 | 4 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 563 | 12 | 1 | 6 | 6.6 | Cc1cccc(OCCCOc2ccc(-c3ccccc3CC(C)(C)C(=O)NS(=O)(=O)c3cccs3)cc2)c1 | 10.1016/s0960-894x(02)00518-8 | |||
52943000 | 16533 | 0 | None | -39 | 4 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 740 | 16 | 2 | 4 | 11.2 | O=C(O)/C=C/c1ccccc1/C=C/Cc1ccccc1OCc1ccccc1.O=C(O)/C=C/c1ccccc1C/C=C\c1ccccc1OCc1ccccc1 | 10.1016/j.bmcl.2004.11.051 | |||
CHEMBL1237297 | 16533 | 0 | None | -39 | 4 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 740 | 16 | 2 | 4 | 11.2 | O=C(O)/C=C/c1ccccc1/C=C/Cc1ccccc1OCc1ccccc1.O=C(O)/C=C/c1ccccc1C/C=C\c1ccccc1OCc1ccccc1 | 10.1016/j.bmcl.2004.11.051 | |||
22009003 | 122614 | 0 | None | -112 | 4 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 468 | 8 | 2 | 3 | 6.7 | Cc1cccc(C(O)/C=C/c2ccccc2/C=C/C(=O)O)c1OCc1c(Cl)cccc1Cl | 10.1016/j.bmcl.2004.11.051 | |||
CHEMBL360290 | 122614 | 0 | None | -112 | 4 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 468 | 8 | 2 | 3 | 6.7 | Cc1cccc(C(O)/C=C/c2ccccc2/C=C/C(=O)O)c1OCc1c(Cl)cccc1Cl | 10.1016/j.bmcl.2004.11.051 | |||
22008967 | 83147 | 0 | None | -416 | 4 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 439 | 8 | 1 | 5 | 4.5 | COc1ccc(/C=C/Cc2ccccc2/C=C/C(=O)NS(=O)(=O)c2cccs2)cc1 | 10.1016/j.bmcl.2006.08.025 | |||
CHEMBL218228 | 83147 | 0 | None | -416 | 4 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 439 | 8 | 1 | 5 | 4.5 | COc1ccc(/C=C/Cc2ccccc2/C=C/C(=O)NS(=O)(=O)c2cccs2)cc1 | 10.1016/j.bmcl.2006.08.025 | |||
22008966 | 83148 | 0 | None | -416 | 4 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 439 | 8 | 1 | 5 | 4.5 | COc1ccc(C/C=C/c2ccccc2/C=C/C(=O)NS(=O)(=O)c2cccs2)cc1 | 10.1016/j.bmcl.2006.08.025 | |||
CHEMBL218229 | 83148 | 0 | None | -416 | 4 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 439 | 8 | 1 | 5 | 4.5 | COc1ccc(C/C=C/c2ccccc2/C=C/C(=O)NS(=O)(=O)c2cccs2)cc1 | 10.1016/j.bmcl.2006.08.025 | |||
44419351 | 84141 | 0 | None | -17 | 4 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 533 | 12 | 1 | 5 | 6.2 | Cc1ccc(OCc2ccccc2)c(CCCc2ccccc2CCC(=O)NS(=O)(=O)c2cccs2)c1 | 10.1016/j.bmcl.2006.08.025 | |||
CHEMBL220821 | 84141 | 0 | None | -17 | 4 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 533 | 12 | 1 | 5 | 6.2 | Cc1ccc(OCc2ccccc2)c(CCCc2ccccc2CCC(=O)NS(=O)(=O)c2cccs2)c1 | 10.1016/j.bmcl.2006.08.025 | |||
18444559 | 110721 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 342 | 5 | 1 | 3 | 5.2 | Cc1oc(C(=O)O)cc1COc1ccc(-c2ccc(Cl)cc2)cc1 | 10.1016/j.bmcl.2014.02.068 | |||
CHEMBL3260444 | 110721 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 342 | 5 | 1 | 3 | 5.2 | Cc1oc(C(=O)O)cc1COc1ccc(-c2ccc(Cl)cc2)cc1 | 10.1016/j.bmcl.2014.02.068 | |||
90656142 | 110712 | 0 | None | - | 1 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 324 | 5 | 2 | 4 | 4.2 | Cc1oc(C(=O)O)cc1COc1ccc(-c2ccc(O)cc2)cc1 | 10.1016/j.bmcl.2014.02.068 | |||
CHEMBL3260435 | 110712 | 0 | None | - | 1 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 324 | 5 | 2 | 4 | 4.2 | Cc1oc(C(=O)O)cc1COc1ccc(-c2ccc(O)cc2)cc1 | 10.1016/j.bmcl.2014.02.068 | |||
118517451 | 152867 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 436 | 8 | 2 | 5 | 3.8 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2ccc3c(c2)OCCO3)cc1 | nan | |||
CHEMBL3974337 | 152867 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 436 | 8 | 2 | 5 | 3.8 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2ccc3c(c2)OCCO3)cc1 | nan | |||
44269596 | 99059 | 0 | None | 19 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 373 | 12 | 2 | 3 | 3.6 | O=C(O)CCCCCCN1C(=O)CC[C@@H]1/C=C/C(O)CCc1ccccc1 | 10.1016/s0960-894x(03)00042-8 | |||
CHEMBL280442 | 99059 | 0 | None | 19 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 373 | 12 | 2 | 3 | 3.6 | O=C(O)CCCCCCN1C(=O)CC[C@@H]1/C=C/C(O)CCc1ccccc1 | 10.1016/s0960-894x(03)00042-8 | |||
10028418 | 14670 | 3 | None | -17 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 465 | 8 | 1 | 4 | 6.9 | O=C(O)COc1cccc(C[C@@H]2CCCC=C2c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1 | 10.1016/j.bmcl.2005.04.047 | |||
CHEMBL1205677 | 14670 | 3 | None | -17 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 465 | 8 | 1 | 4 | 6.9 | O=C(O)COc1cccc(C[C@@H]2CCCC=C2c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1 | 10.1016/j.bmcl.2005.04.047 | |||
CHEMBL132589 | 14670 | 3 | None | -17 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 465 | 8 | 1 | 4 | 6.9 | O=C(O)COc1cccc(C[C@@H]2CCCC=C2c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1 | 10.1016/j.bmcl.2005.04.047 | |||
10028418 | 14670 | 3 | None | -17 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 465 | 8 | 1 | 4 | 6.9 | O=C(O)COc1cccc(C[C@@H]2CCCC=C2c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1 | 10.1016/j.bmcl.2005.04.076 | |||
CHEMBL1205677 | 14670 | 3 | None | -17 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 465 | 8 | 1 | 4 | 6.9 | O=C(O)COc1cccc(C[C@@H]2CCCC=C2c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1 | 10.1016/j.bmcl.2005.04.076 | |||
CHEMBL132589 | 14670 | 3 | None | -17 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 465 | 8 | 1 | 4 | 6.9 | O=C(O)COc1cccc(C[C@@H]2CCCC=C2c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1 | 10.1016/j.bmcl.2005.04.076 | |||
10028418 | 14670 | 3 | None | -17 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 465 | 8 | 1 | 4 | 6.9 | O=C(O)COc1cccc(C[C@@H]2CCCC=C2c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1 | 10.1021/jm050085k | |||
CHEMBL1205677 | 14670 | 3 | None | -17 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 465 | 8 | 1 | 4 | 6.9 | O=C(O)COc1cccc(C[C@@H]2CCCC=C2c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1 | 10.1021/jm050085k | |||
CHEMBL132589 | 14670 | 3 | None | -17 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 465 | 8 | 1 | 4 | 6.9 | O=C(O)COc1cccc(C[C@@H]2CCCC=C2c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1 | 10.1021/jm050085k | |||
118517359 | 144394 | 0 | None | 114 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 456 | 8 | 2 | 3 | 4.8 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2cccc(Br)c2)cc1 | nan | |||
CHEMBL3906016 | 144394 | 0 | None | 114 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 456 | 8 | 2 | 3 | 4.8 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2cccc(Br)c2)cc1 | nan | |||
44304474 | 202929 | 0 | None | -2 | 5 | Mouse | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 372 | 13 | 3 | 5 | 3.0 | CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCSCCC(=O)O | 10.1016/s0960-894x(01)00365-1 | |||
CHEMBL62868 | 202929 | 0 | None | -2 | 5 | Mouse | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 372 | 13 | 3 | 5 | 3.0 | CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCSCCC(=O)O | 10.1016/s0960-894x(01)00365-1 | |||
53323010 | 56879 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 575 | 7 | 2 | 5 | 6.0 | Cc1ccc(S(=O)(=O)NC(=O)NCCc2ccc(-c3c(C(=O)N4CCCC4)sc4c(C)cc(C)cc34)cc2)cc1 | 10.1016/j.bmcl.2010.11.118 | |||
CHEMBL1644010 | 56879 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 575 | 7 | 2 | 5 | 6.0 | Cc1ccc(S(=O)(=O)NC(=O)NCCc2ccc(-c3c(C(=O)N4CCCC4)sc4c(C)cc(C)cc34)cc2)cc1 | 10.1016/j.bmcl.2010.11.118 | |||
18444596 | 110732 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 493 | 8 | 2 | 7 | 4.7 | COc1ccc(-c2ccc(OCc3cc(C(=O)NS(=O)(=O)c4ccc(O)cc4)oc3C)cc2)cc1 | 10.1016/j.bmcl.2014.02.068 | |||
CHEMBL3260462 | 110732 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 493 | 8 | 2 | 7 | 4.7 | COc1ccc(-c2ccc(OCc3cc(C(=O)NS(=O)(=O)c4ccc(O)cc4)oc3C)cc2)cc1 | 10.1016/j.bmcl.2014.02.068 | |||
53320545 | 56888 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 538 | 7 | 1 | 3 | 7.1 | Cc1cc(C)c2sc(C(=O)N(C)C)c(-c3ccc(CCNC(=O)Cc4c(Cl)cccc4Cl)cc3)c2c1 | 10.1016/j.bmcl.2010.11.118 | |||
CHEMBL1644019 | 56888 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 538 | 7 | 1 | 3 | 7.1 | Cc1cc(C)c2sc(C(=O)N(C)C)c(-c3ccc(CCNC(=O)Cc4c(Cl)cccc4Cl)cc3)c2c1 | 10.1016/j.bmcl.2010.11.118 | |||
46887092 | 8514 | 0 | None | -380 | 2 | Mouse | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 509 | 11 | 2 | 3 | 6.7 | Cc1cc(C)cc([C@@H](CC(C)C)NC(=O)c2cc(COc3ccc(F)cc3F)ccc2CCC(=O)O)c1 | 10.1016/j.bmc.2010.03.028 | |||
CHEMBL1094160 | 8514 | 0 | None | -380 | 2 | Mouse | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 509 | 11 | 2 | 3 | 6.7 | Cc1cc(C)cc([C@@H](CC(C)C)NC(=O)c2cc(COc3ccc(F)cc3F)ccc2CCC(=O)O)c1 | 10.1016/j.bmc.2010.03.028 | |||
9874010 | 207188 | 0 | None | -64 | 8 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 629 | 8 | 1 | 4 | 6.9 | CN(CCc1ccccc1)C(=O)NS(=O)(=O)c1ccccc1-c1ccc(CN2C(=O)c3ccccc3CCc3ccccc32)cc1 | 10.1016/s0960-894x(99)00465-5 | |||
CHEMBL92539 | 207188 | 0 | None | -64 | 8 | Human | 6.0 | pKi | = | 6.0 | 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 | |||
44349531 | 16563 | 0 | None | 1 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 394 | 7 | 1 | 2 | 6.2 | O=C(O)Cc1ccccc1-c1cccc(-c2ccccc2OCc2ccccc2)c1 | 10.1016/s0960-894x(03)00794-7 | |||
CHEMBL123844 | 16563 | 0 | None | 1 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 394 | 7 | 1 | 2 | 6.2 | O=C(O)Cc1ccccc1-c1cccc(-c2ccccc2OCc2ccccc2)c1 | 10.1016/s0960-894x(03)00794-7 | |||
10227492 | 16896 | 0 | None | -52 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 476 | 8 | 1 | 2 | 7.9 | O=C(O)CCc1ccccc1-c1cccc(-c2ccccc2OCc2c(Cl)cccc2Cl)c1 | 10.1016/s0960-894x(03)00794-7 | |||
CHEMBL125087 | 16896 | 0 | None | -52 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 476 | 8 | 1 | 2 | 7.9 | O=C(O)CCc1ccccc1-c1cccc(-c2ccccc2OCc2c(Cl)cccc2Cl)c1 | 10.1016/s0960-894x(03)00794-7 | |||
10112486 | 16899 | 0 | None | -2 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 414 | 8 | 1 | 3 | 6.7 | O=C(O)CCc1ccccc1-c1ccc(-c2ccccc2OCc2ccccc2)s1 | 10.1016/s0960-894x(03)00794-7 | |||
CHEMBL125110 | 16899 | 0 | None | -2 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 414 | 8 | 1 | 3 | 6.7 | O=C(O)CCc1ccccc1-c1ccc(-c2ccccc2OCc2ccccc2)s1 | 10.1016/s0960-894x(03)00794-7 | |||
44349528 | 113799 | 0 | None | -31 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 428 | 8 | 1 | 3 | 7.2 | CC(CC(=O)O)c1ccccc1-c1csc(-c2ccccc2OCc2ccccc2)c1 | 10.1016/s0960-894x(03)00794-7 | |||
CHEMBL332446 | 113799 | 0 | None | -31 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 428 | 8 | 1 | 3 | 7.2 | CC(CC(=O)O)c1ccccc1-c1csc(-c2ccccc2OCc2ccccc2)c1 | 10.1016/s0960-894x(03)00794-7 | |||
44320294 | 106005 | 0 | None | -1 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 557 | 12 | 1 | 6 | 5.7 | O=S(=O)(CCc1ccccc1-c1ccc(CSCCc2ccccc2)cc1)NS(=O)(=O)c1cccs1 | 10.1016/s0960-894x(02)00518-8 | |||
CHEMBL313266 | 106005 | 0 | None | -1 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 557 | 12 | 1 | 6 | 5.7 | O=S(=O)(CCc1ccccc1-c1ccc(CSCCc2ccccc2)cc1)NS(=O)(=O)c1cccs1 | 10.1016/s0960-894x(02)00518-8 | |||
12112239 | 106558 | 0 | None | -3 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 549 | 12 | 1 | 6 | 6.3 | Cc1cccc(OCCCOc2ccc(-c3ccccc3CC(C)C(=O)NS(=O)(=O)c3cccs3)cc2)c1 | 10.1016/s0960-894x(02)00518-8 | |||
CHEMBL314200 | 106558 | 0 | None | -3 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 549 | 12 | 1 | 6 | 6.3 | Cc1cccc(OCCCOc2ccc(-c3ccccc3CC(C)C(=O)NS(=O)(=O)c3cccs3)cc2)c1 | 10.1016/s0960-894x(02)00518-8 | |||
21362900 | 205838 | 0 | None | -23 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 521 | 11 | 1 | 5 | 6.3 | O=C(CCc1ccccc1-c1ccc(CSCCc2ccccc2)cc1)NS(=O)(=O)c1cccs1 | 10.1016/s0960-894x(02)00518-8 | |||
CHEMBL83518 | 205838 | 0 | None | -23 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 521 | 11 | 1 | 5 | 6.3 | O=C(CCc1ccccc1-c1ccc(CSCCc2ccccc2)cc1)NS(=O)(=O)c1cccs1 | 10.1016/s0960-894x(02)00518-8 | |||
10302378 | 82777 | 0 | None | -912 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 539 | 9 | 1 | 5 | 6.6 | O=C(/C=C/c1ccccc1Cc1ccc2cc(OCc3ccccc3)ccc2c1)NS(=O)(=O)c1cccs1 | 10.1016/j.bmcl.2006.08.025 | |||
CHEMBL217991 | 82777 | 0 | None | -912 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 539 | 9 | 1 | 5 | 6.6 | O=C(/C=C/c1ccccc1Cc1ccc2cc(OCc3ccccc3)ccc2c1)NS(=O)(=O)c1cccs1 | 10.1016/j.bmcl.2006.08.025 | |||
10157813 | 201614 | 0 | None | -69 | 4 | Mouse | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 400 | 9 | 1 | 4 | 4.7 | O=C(O)CCc1ccc(Cn2cccn2)cc1OCCc1ccc2ccccc2c1 | 10.1016/j.bmc.2009.08.007 | |||
CHEMBL605833 | 201614 | 0 | None | -69 | 4 | Mouse | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 400 | 9 | 1 | 4 | 4.7 | O=C(O)CCc1ccc(Cn2cccn2)cc1OCCc1ccc2ccccc2c1 | 10.1016/j.bmc.2009.08.007 | |||
46230201 | 200614 | 0 | None | -52 | 3 | Mouse | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 453 | 9 | 2 | 3 | 5.9 | C[C@H](NC(=O)c1cc(COc2ccccc2)ccc1CCC(=O)O)c1cccc2ccccc12 | 10.1016/j.bmc.2009.11.023 | |||
CHEMBL599355 | 200614 | 0 | None | -52 | 3 | Mouse | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 453 | 9 | 2 | 3 | 5.9 | C[C@H](NC(=O)c1cc(COc2ccccc2)ccc1CCC(=O)O)c1cccc2ccccc12 | 10.1016/j.bmc.2009.11.023 | |||
44269464 | 34475 | 0 | None | 2 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 341 | 14 | 2 | 3 | 3.7 | CCCCCC(O)CC[C@@H]1CCC(=O)N1CCCCCCC(=O)O | 10.1016/s0960-894x(03)00042-8 | |||
CHEMBL14286 | 34475 | 0 | None | 2 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 341 | 14 | 2 | 3 | 3.7 | CCCCCC(O)CC[C@@H]1CCC(=O)N1CCCCCCC(=O)O | 10.1016/s0960-894x(03)00042-8 | |||
18444679 | 110811 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 444 | 8 | 1 | 6 | 3.4 | COc1ccc(-c2ccc(OCc3cc(C(=O)NS(=O)(=O)N(C)C)oc3C)cc2)cc1 | 10.1016/j.bmcl.2014.02.068 | |||
CHEMBL3260762 | 110811 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 444 | 8 | 1 | 6 | 3.4 | COc1ccc(-c2ccc(OCc3cc(C(=O)NS(=O)(=O)N(C)C)oc3C)cc2)cc1 | 10.1016/j.bmcl.2014.02.068 | |||
44442337 | 94005 | 0 | None | -1 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 381 | 8 | 1 | 2 | 5.0 | C/C(=C/C=C/[C@H]1CCC(=O)N1CCc1ccc(C(=O)O)cc1)CC1CCCC1 | 10.1016/j.bmcl.2007.05.025 | |||
CHEMBL248678 | 94005 | 0 | None | -1 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 381 | 8 | 1 | 2 | 5.0 | C/C(=C/C=C/[C@H]1CCC(=O)N1CCc1ccc(C(=O)O)cc1)CC1CCCC1 | 10.1016/j.bmcl.2007.05.025 | |||
15947639 | 97479 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 737 | 11 | 1 | 8 | 6.3 | COc1ccccc1C1(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 | |||
CHEMBL270223 | 97479 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 737 | 11 | 1 | 8 | 6.3 | COc1ccccc1C1(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 | |||
11696697 | 99030 | 0 | None | 676 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 385 | 11 | 2 | 3 | 3.7 | O=C(O)CCCCCCN1C(=O)CC[C@@H]1/C=C/C(O)C1(c2ccccc2)CC1 | 10.1016/s0960-894x(03)00042-8 | |||
CHEMBL280223 | 99030 | 0 | None | 676 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 385 | 11 | 2 | 3 | 3.7 | O=C(O)CCCCCCN1C(=O)CC[C@@H]1/C=C/C(O)C1(c2ccccc2)CC1 | 10.1016/s0960-894x(03)00042-8 | |||
11696697 | 99030 | 0 | None | 676 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 385 | 11 | 2 | 3 | 3.7 | O=C(O)CCCCCCN1C(=O)CC[C@@H]1/C=C/C(O)C1(c2ccccc2)CC1 | 10.1016/j.bmcl.2004.01.063 | |||
CHEMBL280223 | 99030 | 0 | None | 676 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 385 | 11 | 2 | 3 | 3.7 | O=C(O)CCCCCCN1C(=O)CC[C@@H]1/C=C/C(O)C1(c2ccccc2)CC1 | 10.1016/j.bmcl.2004.01.063 | |||
57398585 | 69468 | 0 | None | 6 | 2 | Mouse | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 414 | 9 | 2 | 5 | 3.2 | Cc1cccc(C[C@H](O)/C=C/[C@H]2CCC(=O)N2CCCc2nc(C(=O)O)cs2)c1 | 10.1016/j.bmcl.2011.10.109 | |||
CHEMBL1933721 | 69468 | 0 | None | 6 | 2 | Mouse | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 414 | 9 | 2 | 5 | 3.2 | Cc1cccc(C[C@H](O)/C=C/[C@H]2CCC(=O)N2CCCc2nc(C(=O)O)cs2)c1 | 10.1016/j.bmcl.2011.10.109 | |||
57398585 | 69468 | 0 | None | 6 | 2 | Mouse | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 414 | 9 | 2 | 5 | 3.2 | Cc1cccc(C[C@H](O)/C=C/[C@H]2CCC(=O)N2CCCc2nc(C(=O)O)cs2)c1 | 10.1016/j.bmc.2012.02.018 | |||
CHEMBL1933721 | 69468 | 0 | None | 6 | 2 | Mouse | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 414 | 9 | 2 | 5 | 3.2 | Cc1cccc(C[C@H](O)/C=C/[C@H]2CCC(=O)N2CCCc2nc(C(=O)O)cs2)c1 | 10.1016/j.bmc.2012.02.018 | |||
10028427 | 8624 | 0 | None | -426 | 2 | Mouse | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 487 | 10 | 2 | 3 | 7.2 | Cc1cc(C)cc(Oc2ccc(CCC(=O)O)c(C(=O)N[C@H](CC(C)C)c3cc(C)cc(C)c3)c2)c1 | 10.1016/j.bmc.2010.03.028 | |||
CHEMBL1095064 | 8624 | 0 | None | -426 | 2 | Mouse | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 487 | 10 | 2 | 3 | 7.2 | Cc1cc(C)cc(Oc2ccc(CCC(=O)O)c(C(=O)N[C@H](CC(C)C)c3cc(C)cc(C)c3)c2)c1 | 10.1016/j.bmc.2010.03.028 | |||
21362849 | 168326 | 0 | None | -1 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 422 | 8 | 1 | 2 | 6.9 | CC(Cc1ccccc1-c1cccc(-c2ccccc2OCc2ccccc2)c1)C(=O)O | 10.1016/s0960-894x(03)00794-7 | |||
CHEMBL434247 | 168326 | 0 | None | -1 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 422 | 8 | 1 | 2 | 6.9 | CC(Cc1ccccc1-c1cccc(-c2ccccc2OCc2ccccc2)c1)C(=O)O | 10.1016/s0960-894x(03)00794-7 | |||
52944193 | 16531 | 0 | None | -144 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 768 | 16 | 2 | 4 | 11.9 | Cc1cccc(/C=C/Cc2ccccc2/C=C/C(=O)O)c1OCc1ccccc1.Cc1cccc(C/C=C/c2ccccc2/C=C/C(=O)O)c1OCc1ccccc1 | 10.1016/j.bmcl.2004.11.051 | |||
CHEMBL1237295 | 16531 | 0 | None | -144 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 768 | 16 | 2 | 4 | 11.9 | Cc1cccc(/C=C/Cc2ccccc2/C=C/C(=O)O)c1OCc1ccccc1.Cc1cccc(C/C=C/c2ccccc2/C=C/C(=O)O)c1OCc1ccccc1 | 10.1016/j.bmcl.2004.11.051 | |||
53321854 | 56865 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 378 | 4 | 1 | 6 | 4.1 | COC(=O)c1sc2c(C)cc(C)cc2c1-c1ccc(Cc2nn[nH]n2)cc1 | 10.1016/j.bmcl.2010.11.118 | |||
CHEMBL1643997 | 56865 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 378 | 4 | 1 | 6 | 4.1 | COC(=O)c1sc2c(C)cc(C)cc2c1-c1ccc(Cc2nn[nH]n2)cc1 | 10.1016/j.bmcl.2010.11.118 | |||
44453656 | 95246 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 574 | 11 | 1 | 7 | 4.8 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CS(=O)(=O)NC(=O)COc3ccccc3)cc1)C2 | 10.1016/j.bmcl.2008.01.103 | |||
CHEMBL256183 | 95246 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 574 | 11 | 1 | 7 | 4.8 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CS(=O)(=O)NC(=O)COc3ccccc3)cc1)C2 | 10.1016/j.bmcl.2008.01.103 | |||
44234032 | 147923 | 0 | None | -169 | 6 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 415 | 8 | 1 | 4 | 5.0 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2cccc(F)c2)CC1 | 10.1021/acs.jmedchem.6b00871 | |||
CHEMBL3933704 | 147923 | 0 | None | -169 | 6 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 415 | 8 | 1 | 4 | 5.0 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2cccc(F)c2)CC1 | 10.1021/acs.jmedchem.6b00871 | |||
69147154 | 110813 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 528 | 11 | 1 | 8 | 3.6 | COc1ccc(-c2ccc(OCc3cc(C(=O)NS(=O)(=O)CCCN4CCOCC4)oc3C)cc2)cc1 | 10.1016/j.bmcl.2014.02.068 | |||
CHEMBL3260764 | 110813 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 528 | 11 | 1 | 8 | 3.6 | COc1ccc(-c2ccc(OCc3cc(C(=O)NS(=O)(=O)CCCN4CCOCC4)oc3C)cc2)cc1 | 10.1016/j.bmcl.2014.02.068 | |||
23016737 | 200212 | 0 | None | -7079 | 2 | Mouse | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 487 | 11 | 2 | 3 | 6.7 | Cc1cc(C)cc(C(CC(C)C)NC(=O)c2cc(COc3ccccc3C)ccc2CCC(=O)O)c1 | 10.1016/j.bmc.2009.12.068 | |||
CHEMBL596745 | 200212 | 0 | None | -7079 | 2 | Mouse | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 487 | 11 | 2 | 3 | 6.7 | Cc1cc(C)cc(C(CC(C)C)NC(=O)c2cc(COc3ccccc3C)ccc2CCC(=O)O)c1 | 10.1016/j.bmc.2009.12.068 | |||
24952579 | 132111 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 481 | 6 | 1 | 4 | 6.6 | COC(=O)c1ccc([C@H](C)NC(=O)c2c(Cl)sc(Cl)c2Cc2cccc(Cl)c2)cc1 | nan | |||
CHEMBL3695938 | 132111 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 481 | 6 | 1 | 4 | 6.6 | COC(=O)c1ccc([C@H](C)NC(=O)c2c(Cl)sc(Cl)c2Cc2cccc(Cl)c2)cc1 | nan | |||
89914844 | 122594 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 382 | 8 | 2 | 4 | 2.9 | O=C(O)c1ccc(CNC(=O)[C@H]2CCCCN2CCOc2ccccc2)cc1 | 10.1016/j.bmcl.2015.05.091 | |||
CHEMBL3600786 | 122594 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 382 | 8 | 2 | 4 | 2.9 | O=C(O)c1ccc(CNC(=O)[C@H]2CCCCN2CCOc2ccccc2)cc1 | 10.1016/j.bmcl.2015.05.091 | |||
CHEMBL3601983 | 122594 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 382 | 8 | 2 | 4 | 2.9 | O=C(O)c1ccc(CNC(=O)[C@H]2CCCCN2CCOc2ccccc2)cc1 | 10.1016/j.bmcl.2015.05.091 | |||
89914445 | 122592 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 410 | 9 | 2 | 4 | 3.9 | CC[C@H](NC(=O)[C@H]1CCCCN1CCOc1ccccc1)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2015.05.091 | |||
CHEMBL3600787 | 122592 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 410 | 9 | 2 | 4 | 3.9 | CC[C@H](NC(=O)[C@H]1CCCCN1CCOc1ccccc1)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2015.05.091 | |||
CHEMBL3601950 | 122592 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 410 | 9 | 2 | 4 | 3.9 | CC[C@H](NC(=O)[C@H]1CCCCN1CCOc1ccccc1)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2015.05.091 | |||
10298293 | 94165 | 0 | None | 426 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 460 | 9 | 2 | 4 | 3.1 | O=C(O)c1ccc(CCN2C(=O)CCN2CCC(O)Cc2cccc(Br)c2)cc1 | 10.1016/j.bmcl.2007.09.074 | |||
CHEMBL249538 | 94165 | 0 | None | 426 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 460 | 9 | 2 | 4 | 3.1 | O=C(O)c1ccc(CCN2C(=O)CCN2CCC(O)Cc2cccc(Br)c2)cc1 | 10.1016/j.bmcl.2007.09.074 | |||
44444720 | 94225 | 0 | None | 239 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 460 | 9 | 2 | 4 | 3.1 | O=C(O)c1ccc(CCN2C(=O)CCN2CC[C@@H](O)Cc2cccc(Br)c2)cc1 | 10.1016/j.bmcl.2007.09.074 | |||
CHEMBL249953 | 94225 | 0 | None | 239 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 460 | 9 | 2 | 4 | 3.1 | O=C(O)c1ccc(CCN2C(=O)CCN2CC[C@@H](O)Cc2cccc(Br)c2)cc1 | 10.1016/j.bmcl.2007.09.074 | |||
15947640 | 95484 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 639 | 12 | 1 | 8 | 5.3 | CCOc1c2c(c(OCC)c3ncccc13)CN(c1ccc(CS(=O)(=O)NC(=O)Cc3ccccc3OC(F)F)cc1C)C2=O | 10.1016/j.bmcl.2008.01.103 | |||
CHEMBL257255 | 95484 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 639 | 12 | 1 | 8 | 5.3 | CCOc1c2c(c(OCC)c3ncccc13)CN(c1ccc(CS(=O)(=O)NC(=O)Cc3ccccc3OC(F)F)cc1C)C2=O | 10.1016/j.bmcl.2008.01.103 | |||
15948442 | 95622 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 574 | 10 | 1 | 8 | 4.1 | CCOc1c2c(c(OCC)c3ncccc13)CN(c1ccc(CS(=O)(=O)NC(=O)Cc3ccccn3)cc1C)C2=O | 10.1016/j.bmcl.2008.01.103 | |||
CHEMBL257886 | 95622 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 574 | 10 | 1 | 8 | 4.1 | CCOc1c2c(c(OCC)c3ncccc13)CN(c1ccc(CS(=O)(=O)NC(=O)Cc3ccccn3)cc1C)C2=O | 10.1016/j.bmcl.2008.01.103 | |||
44269521 | 167616 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 377 | 11 | 2 | 4 | 2.7 | O=C(O)CSCCCCN1C(=O)CC[C@@H]1/C=C/C(O)Cc1ccccc1 | 10.1016/s0960-894x(03)00042-8 | |||
CHEMBL430124 | 167616 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 377 | 11 | 2 | 4 | 2.7 | O=C(O)CSCCCCN1C(=O)CC[C@@H]1/C=C/C(O)Cc1ccccc1 | 10.1016/s0960-894x(03)00042-8 | |||
11677589 | 1857 | 56 | None | -3 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 491 | 7 | 2 | 6 | 4.1 | CCc1nc2c(n1c1ccc(cc1)CCNC(=O)NS(=O)(=O)c1ccc(cc1)C)cc(nc2C)C | 10.1016/j.bmcl.2017.01.067 | |||
5858 | 1857 | 56 | None | -3 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 491 | 7 | 2 | 6 | 4.1 | CCc1nc2c(n1c1ccc(cc1)CCNC(=O)NS(=O)(=O)c1ccc(cc1)C)cc(nc2C)C | 10.1016/j.bmcl.2017.01.067 | |||
CHEMBL3039498 | 1857 | 56 | None | -3 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 491 | 7 | 2 | 6 | 4.1 | CCc1nc2c(n1c1ccc(cc1)CCNC(=O)NS(=O)(=O)c1ccc(cc1)C)cc(nc2C)C | 10.1016/j.bmcl.2017.01.067 | |||
DB12836 | 1857 | 56 | None | -3 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 491 | 7 | 2 | 6 | 4.1 | CCc1nc2c(n1c1ccc(cc1)CCNC(=O)NS(=O)(=O)c1ccc(cc1)C)cc(nc2C)C | 10.1016/j.bmcl.2017.01.067 | |||
58824201 | 110818 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 497 | 8 | 1 | 9 | 4.0 | COc1ccc(-c2ccc(OCc3cc(C(=O)NS(=O)(=O)c4c(C)noc4C)oc3C)cc2)nc1 | 10.1016/j.bmcl.2014.02.068 | |||
CHEMBL3260769 | 110818 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 497 | 8 | 1 | 9 | 4.0 | COc1ccc(-c2ccc(OCc3cc(C(=O)NS(=O)(=O)c4c(C)noc4C)oc3C)cc2)nc1 | 10.1016/j.bmcl.2014.02.068 | |||
56944805 | 129212 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 501 | 6 | 2 | 5 | 5.7 | C[C@H](NC(=O)c1c(C(F)(F)F)nn(C)c1Oc1ccc(Cl)c(Cl)c1)c1ccc(C(=O)O)cc1 | nan | |||
CHEMBL3670686 | 129212 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 501 | 6 | 2 | 5 | 5.7 | C[C@H](NC(=O)c1c(C(F)(F)F)nn(C)c1Oc1ccc(Cl)c(Cl)c1)c1ccc(C(=O)O)cc1 | nan | |||
53319233 | 56875 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 614 | 7 | 1 | 5 | 6.9 | Cc1cc(C)c2sc(C(=O)N(C)C)c(-c3ccc(CS(=O)(=O)NC(=O)C4(c5c(Cl)cccc5Cl)CC4)cc3)c2c1 | 10.1016/j.bmcl.2010.11.118 | |||
CHEMBL1644007 | 56875 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 614 | 7 | 1 | 5 | 6.9 | Cc1cc(C)c2sc(C(=O)N(C)C)c(-c3ccc(CS(=O)(=O)NC(=O)C4(c5c(Cl)cccc5Cl)CC4)cc3)c2c1 | 10.1016/j.bmcl.2010.11.118 | |||
46887057 | 8547 | 0 | None | -446 | 3 | Mouse | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 507 | 11 | 2 | 3 | 7.1 | Cc1cc(C)cc([C@@H](CC(C)C)NC(=O)c2cc(COc3ccccc3Cl)ccc2CCC(=O)O)c1 | 10.1016/j.bmc.2010.03.028 | |||
CHEMBL1094464 | 8547 | 0 | None | -446 | 3 | Mouse | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 507 | 11 | 2 | 3 | 7.1 | Cc1cc(C)cc([C@@H](CC(C)C)NC(=O)c2cc(COc3ccccc3Cl)ccc2CCC(=O)O)c1 | 10.1016/j.bmc.2010.03.028 | |||
44394432 | 127324 | 0 | None | -10 | 5 | Mouse | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 457 | 6 | 1 | 6 | 4.5 | Cc1cc2c(CC(=O)O)cccc2n1C(=O)c1ccc(OC[C@H]2COc3ccccc3O2)cc1 | 10.1016/j.bmcl.2004.07.039 | |||
CHEMBL365908 | 127324 | 0 | None | -10 | 5 | Mouse | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 457 | 6 | 1 | 6 | 4.5 | Cc1cc2c(CC(=O)O)cccc2n1C(=O)c1ccc(OC[C@H]2COc3ccccc3O2)cc1 | 10.1016/j.bmcl.2004.07.039 | |||
9954562 | 84135 | 0 | None | -72 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 433 | 6 | 1 | 4 | 5.0 | O=C(/C=C/c1ccccc1Cc1ccc2ccccc2c1)NS(=O)(=O)c1cccs1 | 10.1016/j.bmcl.2006.08.025 | |||
CHEMBL220802 | 84135 | 0 | None | -72 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 433 | 6 | 1 | 4 | 5.0 | O=C(/C=C/c1ccccc1Cc1ccc2ccccc2c1)NS(=O)(=O)c1cccs1 | 10.1016/j.bmcl.2006.08.025 | |||
18444588 | 110707 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 362 | 5 | 1 | 3 | 5.2 | O=C(O)c1cc(COc2ccc(-c3ccccc3)cc2)c(C(F)(F)F)o1 | 10.1016/j.bmcl.2014.02.068 | |||
CHEMBL3260429 | 110707 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 362 | 5 | 1 | 3 | 5.2 | O=C(O)c1cc(COc2ccc(-c3ccccc3)cc2)c(C(F)(F)F)o1 | 10.1016/j.bmcl.2014.02.068 | |||
18444556 | 110724 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 339 | 6 | 1 | 5 | 3.9 | COc1ccc(-c2ccc(OCc3cc(C(=O)O)oc3C)cc2)nc1 | 10.1016/j.bmcl.2014.02.068 | |||
CHEMBL3260454 | 110724 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 339 | 6 | 1 | 5 | 3.9 | COc1ccc(-c2ccc(OCc3cc(C(=O)O)oc3C)cc2)nc1 | 10.1016/j.bmcl.2014.02.068 | |||
9938625 | 206782 | 0 | None | -275 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 600 | 8 | 1 | 4 | 6.7 | O=C(CCc1ccccc1)NS(=O)(=O)c1ccccc1-c1ccc(CN2C(=O)c3ccccc3CCc3ccccc32)cc1 | 10.1016/s0960-894x(99)00465-5 | |||
CHEMBL90227 | 206782 | 0 | None | -275 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 600 | 8 | 1 | 4 | 6.7 | O=C(CCc1ccccc1)NS(=O)(=O)c1ccccc1-c1ccc(CN2C(=O)c3ccccc3CCc3ccccc32)cc1 | 10.1016/s0960-894x(99)00465-5 | |||
9817405 | 165401 | 5 | None | -87 | 6 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 288 | 4 | 1 | 1 | 4.5 | O=C(O)/C=C/c1ccccc1Cc1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.08.025 | |||
CHEMBL423815 | 165401 | 5 | None | -87 | 6 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 288 | 4 | 1 | 1 | 4.5 | O=C(O)/C=C/c1ccccc1Cc1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.08.025 | |||
24953282 | 132115 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 600 | 8 | 2 | 5 | 6.6 | Cc1sc(C)c(C(=O)N[C@@H](C)c2ccc(C(=O)NS(=O)(=O)c3ccccc3)cc2)c1Cc1ccc(C(F)(F)F)cc1 | nan | |||
CHEMBL3695942 | 132115 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 600 | 8 | 2 | 5 | 6.6 | Cc1sc(C)c(C(=O)N[C@@H](C)c2ccc(C(=O)NS(=O)(=O)c3ccccc3)cc2)c1Cc1ccc(C(F)(F)F)cc1 | nan | |||
44444719 | 94224 | 0 | None | 67 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 382 | 9 | 2 | 4 | 2.4 | O=C(O)c1ccc(CCN2C(=O)CCN2CC[C@@H](O)Cc2ccccc2)cc1 | 10.1016/j.bmcl.2007.09.074 | |||
CHEMBL249952 | 94224 | 0 | None | 67 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 382 | 9 | 2 | 4 | 2.4 | O=C(O)c1ccc(CCN2C(=O)CCN2CC[C@@H](O)Cc2ccccc2)cc1 | 10.1016/j.bmcl.2007.09.074 | |||
53319234 | 56877 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 535 | 7 | 3 | 5 | 5.1 | CNC(=O)c1sc2c(C)cc(C)cc2c1-c1ccc(CCNC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1 | 10.1016/j.bmcl.2010.11.118 | |||
CHEMBL1644009 | 56877 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 535 | 7 | 3 | 5 | 5.1 | CNC(=O)c1sc2c(C)cc(C)cc2c1-c1ccc(CCNC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1 | 10.1016/j.bmcl.2010.11.118 | |||
53322911 | 57108 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 456 | 6 | 2 | 3 | 5.7 | C[C@H](NC(=O)c1cccc2c1N(Cc1ccc(C(C)(C)C)cc1)CC2)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2010.10.106 | |||
CHEMBL1645147 | 57108 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 456 | 6 | 2 | 3 | 5.7 | C[C@H](NC(=O)c1cccc2c1N(Cc1ccc(C(C)(C)C)cc1)CC2)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2010.10.106 | |||
18444630 | 110814 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 446 | 7 | 2 | 5 | 5.0 | Cc1oc(C(=O)NS(=O)(=O)c2ccccc2)cc1CNc1ccc(-c2ccccc2)cc1 | 10.1016/j.bmcl.2014.02.068 | |||
CHEMBL3260765 | 110814 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 446 | 7 | 2 | 5 | 5.0 | Cc1oc(C(=O)NS(=O)(=O)c2ccccc2)cc1CNc1ccc(-c2ccccc2)cc1 | 10.1016/j.bmcl.2014.02.068 | |||
56944416 | 129207 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 447 | 6 | 2 | 5 | 4.7 | Cc1nn(C)c(Oc2cccc(C(F)(F)F)c2)c1C(=O)N[C@@H](C)c1ccc(C(=O)O)cc1 | nan | |||
CHEMBL3670681 | 129207 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 447 | 6 | 2 | 5 | 4.7 | Cc1nn(C)c(Oc2cccc(C(F)(F)F)c2)c1C(=O)N[C@@H](C)c1ccc(C(=O)O)cc1 | nan | |||
53324525 | 56867 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 377 | 3 | 1 | 5 | 4.1 | Cc1cc(C)c2sc(C(=O)N(C)C)c(-c3ccc(-c4nn[nH]n4)cc3)c2c1 | 10.1016/j.bmcl.2010.11.118 | |||
CHEMBL1643999 | 56867 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 377 | 3 | 1 | 5 | 4.1 | Cc1cc(C)c2sc(C(=O)N(C)C)c(-c3ccc(-c4nn[nH]n4)cc3)c2c1 | 10.1016/j.bmcl.2010.11.118 | |||
44269520 | 36076 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 391 | 12 | 2 | 4 | 3.1 | O=C(O)CCSCCCCN1C(=O)CC[C@@H]1/C=C/C(O)Cc1ccccc1 | 10.1016/s0960-894x(03)00042-8 | |||
CHEMBL14439 | 36076 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 391 | 12 | 2 | 4 | 3.1 | O=C(O)CCSCCCCN1C(=O)CC[C@@H]1/C=C/C(O)Cc1ccccc1 | 10.1016/s0960-894x(03)00042-8 | |||
44289977 | 162757 | 0 | None | 478 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 413 | 10 | 2 | 3 | 4.3 | O=C(O)CCCCCCN1C(=O)CC[C@@H]1/C=C/C(O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2004.01.063 | |||
CHEMBL417171 | 162757 | 0 | None | 478 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 413 | 10 | 2 | 3 | 4.3 | O=C(O)CCCCCCN1C(=O)CC[C@@H]1/C=C/C(O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2004.01.063 | |||
56658143 | 64803 | 0 | None | 1 | 6 | Mouse | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 468 | 8 | 2 | 6 | 3.4 | CN1C[C@@H](COc2ccc(S(=O)(=O)Nc3cccc(CC(=O)O)c3)cc2)Oc2ccccc21 | 10.1016/j.bmc.2011.08.007 | |||
CHEMBL1819604 | 64803 | 0 | None | 1 | 6 | Mouse | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 468 | 8 | 2 | 6 | 3.4 | CN1C[C@@H](COc2ccc(S(=O)(=O)Nc3cccc(CC(=O)O)c3)cc2)Oc2ccccc21 | 10.1016/j.bmc.2011.08.007 | |||
17751059 | 148266 | 0 | None | -56 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 440 | 12 | 2 | 2 | 6.8 | CCCCCC(O)c1ccc([C@H]2[C@H](Cl)C[C@@H](Cl)[C@@H]2C/C=C\CCCC(=O)O)cc1 | nan | |||
CHEMBL3936540 | 148266 | 0 | None | -56 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 440 | 12 | 2 | 2 | 6.8 | CCCCCC(O)c1ccc([C@H]2[C@H](Cl)C[C@@H](Cl)[C@@H]2C/C=C\CCCC(=O)O)cc1 | nan | |||
90656141 | 110711 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 293 | 4 | 2 | 3 | 4.7 | Cc1oc(C(=O)O)cc1Nc1ccc(-c2ccccc2)cc1 | 10.1016/j.bmcl.2014.02.068 | |||
CHEMBL3260434 | 110711 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 293 | 4 | 2 | 3 | 4.7 | Cc1oc(C(=O)O)cc1Nc1ccc(-c2ccccc2)cc1 | 10.1016/j.bmcl.2014.02.068 | |||
23017362 | 199976 | 0 | None | -36 | 4 | Mouse | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 414 | 10 | 1 | 4 | 5.1 | O=C(O)CCCc1ccc(Cn2cccn2)cc1OCCc1ccc2ccccc2c1 | 10.1016/j.bmc.2009.08.007 | |||
CHEMBL595157 | 199976 | 0 | None | -36 | 4 | Mouse | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 414 | 10 | 1 | 4 | 5.1 | O=C(O)CCCc1ccc(Cn2cccn2)cc1OCCc1ccc2ccccc2c1 | 10.1016/j.bmc.2009.08.007 | |||
44269542 | 38660 | 0 | None | -1 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 339 | 13 | 2 | 3 | 3.5 | CCCCCC(O)/C=C/[C@@H]1CCC(=O)N1CCCCCCC(=O)O | 10.1016/s0960-894x(03)00042-8 | |||
CHEMBL14655 | 38660 | 0 | None | -1 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 339 | 13 | 2 | 3 | 3.5 | CCCCCC(O)/C=C/[C@@H]1CCC(=O)N1CCCCCCC(=O)O | 10.1016/s0960-894x(03)00042-8 | |||
10089562 | 154420 | 0 | None | -5 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 355 | 9 | 1 | 2 | 4.6 | CCCC/C=C(C)/C=C/[C@H]1CCC(=O)N1CCc1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2007.05.025 | |||
CHEMBL398948 | 154420 | 0 | None | -5 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 355 | 9 | 1 | 2 | 4.6 | CCCC/C=C(C)/C=C/[C@H]1CCC(=O)N1CCc1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2007.05.025 | |||
58824194 | 110812 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 492 | 8 | 1 | 7 | 4.7 | COc1ccc(-c2ccc(OCc3cc(C(=O)NS(=O)(=O)c4ccc(C)cn4)oc3C)cc2)cc1 | 10.1016/j.bmcl.2014.02.068 | |||
CHEMBL3260763 | 110812 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 492 | 8 | 1 | 7 | 4.7 | COc1ccc(-c2ccc(OCc3cc(C(=O)NS(=O)(=O)c4ccc(C)cn4)oc3C)cc2)cc1 | 10.1016/j.bmcl.2014.02.068 | |||
18444557 | 110723 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 350 | 6 | 1 | 4 | 4.7 | CC(=O)c1ccc(-c2ccc(OCc3cc(C(=O)O)oc3C)cc2)cc1 | 10.1016/j.bmcl.2014.02.068 | |||
CHEMBL3260446 | 110723 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 350 | 6 | 1 | 4 | 4.7 | CC(=O)c1ccc(-c2ccc(OCc3cc(C(=O)O)oc3C)cc2)cc1 | 10.1016/j.bmcl.2014.02.068 | |||
44320433 | 167941 | 0 | None | -18 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 521 | 11 | 1 | 5 | 6.3 | O=C(CCc1ccccc1-c1ccccc1CSCCc1ccccc1)NS(=O)(=O)c1cccs1 | 10.1016/s0960-894x(02)00518-8 | |||
CHEMBL431612 | 167941 | 0 | None | -18 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 521 | 11 | 1 | 5 | 6.3 | O=C(CCc1ccccc1-c1ccccc1CSCCc1ccccc1)NS(=O)(=O)c1cccs1 | 10.1016/s0960-894x(02)00518-8 | |||
11418818 | 66660 | 0 | None | -7 | 4 | Mouse | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 423 | 10 | 1 | 5 | 5.2 | CCCCOc1ccc(C(=O)n2c(C)c(CCCC(=O)O)c3cc(OC)ccc32)cc1 | 10.1016/j.bmcl.2004.06.006 | |||
CHEMBL185369 | 66660 | 0 | None | -7 | 4 | Mouse | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 423 | 10 | 1 | 5 | 5.2 | CCCCOc1ccc(C(=O)n2c(C)c(CCCC(=O)O)c3cc(OC)ccc32)cc1 | 10.1016/j.bmcl.2004.06.006 | |||
22009006 | 141562 | 0 | None | -301 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 409 | 7 | 1 | 4 | 4.5 | O=C(/C=C/c1ccccc1/C=C/Cc1ccccc1)NS(=O)(=O)c1cccs1 | 10.1016/j.bmcl.2006.08.025 | |||
CHEMBL384878 | 141562 | 0 | None | -301 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 409 | 7 | 1 | 4 | 4.5 | O=C(/C=C/c1ccccc1/C=C/Cc1ccccc1)NS(=O)(=O)c1cccs1 | 10.1016/j.bmcl.2006.08.025 | |||
9953337 | 141658 | 0 | None | -301 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 409 | 7 | 1 | 4 | 4.5 | O=C(/C=C/c1ccccc1C/C=C/c1ccccc1)NS(=O)(=O)c1cccs1 | 10.1016/j.bmcl.2006.08.025 | |||
CHEMBL385396 | 141658 | 0 | None | -301 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 409 | 7 | 1 | 4 | 4.5 | O=C(/C=C/c1ccccc1C/C=C/c1ccccc1)NS(=O)(=O)c1cccs1 | 10.1016/j.bmcl.2006.08.025 | |||
18444560 | 110722 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 333 | 5 | 1 | 4 | 4.4 | Cc1oc(C(=O)O)cc1COc1ccc(-c2ccc(C#N)cc2)cc1 | 10.1016/j.bmcl.2014.02.068 | |||
CHEMBL3260445 | 110722 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 333 | 5 | 1 | 4 | 4.4 | Cc1oc(C(=O)O)cc1COc1ccc(-c2ccc(C#N)cc2)cc1 | 10.1016/j.bmcl.2014.02.068 | |||
132836 | 59693 | 23 | None | -33 | 3 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 388 | 13 | 2 | 3 | 5.8 | CCCCCC(O)c1ccc([C@H]2CCC(=O)[C@@H]2CCCCCCC(=O)O)cc1 | nan | |||
CHEMBL1722929 | 59693 | 23 | None | -33 | 3 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 388 | 13 | 2 | 3 | 5.8 | CCCCCC(O)c1ccc([C@H]2CCC(=O)[C@@H]2CCCCCCC(=O)O)cc1 | nan | |||
59465574 | 145943 | 0 | None | -1 | 2 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 400 | 12 | 1 | 4 | 5.7 | CCCCCC(O)c1ccc([C@H]2CCC(=O)[C@@H]2C/C=C\CCCC(=O)OC)cc1 | nan | |||
CHEMBL3918084 | 145943 | 0 | None | -1 | 2 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 400 | 12 | 1 | 4 | 5.7 | CCCCCC(O)c1ccc([C@H]2CCC(=O)[C@@H]2C/C=C\CCCC(=O)OC)cc1 | nan | |||
59465571 | 146283 | 0 | None | -21 | 3 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 386 | 12 | 2 | 3 | 5.6 | CCCCCC(O)c1ccc([C@H]2CCC(=O)[C@@H]2C/C=C\CCCC(=O)O)cc1 | nan | |||
CHEMBL3920796 | 146283 | 0 | None | -21 | 3 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 386 | 12 | 2 | 3 | 5.6 | CCCCCC(O)c1ccc([C@H]2CCC(=O)[C@@H]2C/C=C\CCCC(=O)O)cc1 | nan | |||
54013831 | 146458 | 0 | None | -3 | 2 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 402 | 13 | 1 | 4 | 5.9 | CCCCCC(O)c1ccc([C@H]2CCC(=O)[C@@H]2CCCCCCC(=O)OC)cc1 | nan | |||
CHEMBL3922151 | 146458 | 0 | None | -3 | 2 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 402 | 13 | 1 | 4 | 5.9 | CCCCCC(O)c1ccc([C@H]2CCC(=O)[C@@H]2CCCCCCC(=O)OC)cc1 | nan | |||
10223809 | 164941 | 5 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 419 | 7 | 1 | 5 | 4.1 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC(=O)O)cc1)C2=O | 10.1016/j.bmcl.2018.03.091 | |||
CHEMBL4224936 | 164941 | 5 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 419 | 7 | 1 | 5 | 4.1 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC(=O)O)cc1)C2=O | 10.1016/j.bmcl.2018.03.091 | |||
24945854 | 165012 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 433 | 7 | 1 | 5 | 4.4 | CCOc1c2c(c(OCC)c3cc(C)ccc13)C(=O)N(c1ccc(CC(=O)O)cc1)C2=O | 10.1016/j.bmcl.2018.03.091 | |||
CHEMBL4225963 | 165012 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 433 | 7 | 1 | 5 | 4.4 | CCOc1c2c(c(OCC)c3cc(C)ccc13)C(=O)N(c1ccc(CC(=O)O)cc1)C2=O | 10.1016/j.bmcl.2018.03.091 | |||
10113454 | 177499 | 0 | None | 1380 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 429 | 12 | 2 | 3 | 4.4 | O=C(O)CCCCCCN1C(=O)CC[C@@H]1CC[C@@H](O)Cc1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2004.01.063 | |||
CHEMBL46395 | 177499 | 0 | None | 1380 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 429 | 12 | 2 | 3 | 4.4 | O=C(O)CCCCCCN1C(=O)CC[C@@H]1CC[C@@H](O)Cc1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2004.01.063 | |||
56944514 | 129209 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 513 | 6 | 2 | 5 | 5.4 | Cn1nc(C(F)(F)F)c(C(=O)NC2(c3ccc(C(=O)O)cc3)CC2)c1Oc1cccc(C(F)(F)F)c1 | nan | |||
CHEMBL3670683 | 129209 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 513 | 6 | 2 | 5 | 5.4 | Cn1nc(C(F)(F)F)c(C(=O)NC2(c3ccc(C(=O)O)cc3)CC2)c1Oc1cccc(C(F)(F)F)c1 | nan | |||
53320541 | 56874 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 576 | 8 | 1 | 6 | 5.6 | COc1ccccc1C1(C(=O)NS(=O)(=O)Cc2ccc(-c3c(C(=O)N(C)C)sc4c(C)cc(C)cc34)cc2)CC1 | 10.1016/j.bmcl.2010.11.118 | |||
CHEMBL1644006 | 56874 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 576 | 8 | 1 | 6 | 5.6 | COc1ccccc1C1(C(=O)NS(=O)(=O)Cc2ccc(-c3c(C(=O)N(C)C)sc4c(C)cc(C)cc34)cc2)CC1 | 10.1016/j.bmcl.2010.11.118 | |||
53321855 | 56882 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 623 | 7 | 2 | 5 | 6.5 | Cc1ccc(S(=O)(=O)NC(=O)NCCc2ccc(-c3c(C(=O)N(C)C)sc4c(Cl)cc(C(F)(F)F)cc34)cc2)cc1 | 10.1016/j.bmcl.2010.11.118 | |||
CHEMBL1644013 | 56882 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 623 | 7 | 2 | 5 | 6.5 | Cc1ccc(S(=O)(=O)NC(=O)NCCc2ccc(-c3c(C(=O)N(C)C)sc4c(Cl)cc(C(F)(F)F)cc34)cc2)cc1 | 10.1016/j.bmcl.2010.11.118 | |||
53324525 | 56867 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 377 | 3 | 1 | 5 | 4.1 | Cc1cc(C)c2sc(C(=O)N(C)C)c(-c3ccc(-c4nn[nH]n4)cc3)c2c1 | 10.1016/j.bmcl.2010.11.118 | |||
CHEMBL1643999 | 56867 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 377 | 3 | 1 | 5 | 4.1 | Cc1cc(C)c2sc(C(=O)N(C)C)c(-c3ccc(-c4nn[nH]n4)cc3)c2c1 | 10.1016/j.bmcl.2010.11.118 | |||
15948440 | 97937 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 574 | 10 | 1 | 8 | 4.1 | CCOc1c2c(c(OCC)c3ncccc13)CN(c1ccc(CS(=O)(=O)NC(=O)Cc3ccncc3)cc1C)C2=O | 10.1016/j.bmcl.2008.01.103 | |||
CHEMBL272571 | 97937 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 574 | 10 | 1 | 8 | 4.1 | CCOc1c2c(c(OCC)c3ncccc13)CN(c1ccc(CS(=O)(=O)NC(=O)Cc3ccncc3)cc1C)C2=O | 10.1016/j.bmcl.2008.01.103 | |||
21362893 | 206325 | 0 | None | -30 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 535 | 12 | 1 | 6 | 6.0 | Cc1cccc(OCCCOc2ccc(-c3ccccc3CCC(=O)NS(=O)(=O)c3cccs3)cc2)c1 | 10.1016/s0960-894x(02)00518-8 | |||
CHEMBL87263 | 206325 | 0 | None | -30 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 535 | 12 | 1 | 6 | 6.0 | Cc1cccc(OCCCOc2ccc(-c3ccccc3CCC(=O)NS(=O)(=O)c3cccs3)cc2)c1 | 10.1016/s0960-894x(02)00518-8 | |||
9965922 | 63875 | 0 | None | -158 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 294 | 5 | 2 | 2 | 4.1 | Cc1cccc(/C=C/Cc2ccccc2/C=C/C(=O)O)c1O | 10.1016/j.bmcl.2004.11.051 | |||
CHEMBL180389 | 63875 | 0 | None | -158 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 294 | 5 | 2 | 2 | 4.1 | Cc1cccc(/C=C/Cc2ccccc2/C=C/C(=O)O)c1O | 10.1016/j.bmcl.2004.11.051 | |||
10145097 | 155577 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 588 | 11 | 1 | 7 | 5.0 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CS(=O)(=O)NC(=O)Cc3cccc(OC)c3)cc1)C2 | 10.1016/j.bmcl.2008.01.103 | |||
CHEMBL404440 | 155577 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 588 | 11 | 1 | 7 | 5.0 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CS(=O)(=O)NC(=O)Cc3cccc(OC)c3)cc1)C2 | 10.1016/j.bmcl.2008.01.103 | |||
53358921 | 64439 | 0 | None | -331 | 6 | Mouse | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 482 | 7 | 1 | 5 | 5.4 | CCN1c2ccccc2C[C@@H]1COc1ccc(C(=O)n2c(C)c(CC(=O)O)c3ccccc32)c(C)c1 | 10.1016/j.bmc.2011.06.014 | |||
CHEMBL1813287 | 64439 | 0 | None | -331 | 6 | Mouse | 5.8 | pKi | = | 5.8 | 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 | |||
18444548 | 110716 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 338 | 6 | 1 | 4 | 4.5 | COc1ccccc1-c1ccc(OCc2cc(C(=O)O)oc2C)cc1 | 10.1016/j.bmcl.2014.02.068 | |||
CHEMBL3260439 | 110716 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 338 | 6 | 1 | 4 | 4.5 | COc1ccccc1-c1ccc(OCc2cc(C(=O)O)oc2C)cc1 | 10.1016/j.bmcl.2014.02.068 | |||
23017731 | 201026 | 0 | None | -2238 | 2 | Mouse | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 445 | 11 | 2 | 3 | 5.8 | CC(C)CC(NC(=O)c1cc(COc2ccccc2)ccc1CCC(=O)O)c1ccccc1 | 10.1016/j.bmc.2009.11.023 | |||
CHEMBL602337 | 201026 | 0 | None | -2238 | 2 | Mouse | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 445 | 11 | 2 | 3 | 5.8 | CC(C)CC(NC(=O)c1cc(COc2ccccc2)ccc1CCC(=O)O)c1ccccc1 | 10.1016/j.bmc.2009.11.023 | |||
46213069 | 3061 | 0 | None | -25703 | 3 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 456 | 7 | 1 | 5 | 4.2 | COc1ccc(cc1)C(=O)N1CCC(C1)(COc1ccc(cc1)c1ccc(cc1)C#N)C(=O)O | 10.1021/acs.jmedchem.1c00816 | |||
8538 | 3061 | 0 | None | -25703 | 3 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 456 | 7 | 1 | 5 | 4.2 | COc1ccc(cc1)C(=O)N1CCC(C1)(COc1ccc(cc1)c1ccc(cc1)C#N)C(=O)O | 10.1021/acs.jmedchem.1c00816 | |||
CHEMBL5285583 | 3061 | 0 | None | -25703 | 3 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 456 | 7 | 1 | 5 | 4.2 | COc1ccc(cc1)C(=O)N1CCC(C1)(COc1ccc(cc1)c1ccc(cc1)C#N)C(=O)O | 10.1021/acs.jmedchem.1c00816 | |||
118191085 | 136849 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 426 | 5 | 3 | 4 | 5.0 | Cc1ccc(C(=O)O)c(C)c1NC(=O)c1cc(-c2cccc(CO)c2)nc2ccccc12 | 10.1016/j.bmcl.2015.11.023 | |||
CHEMBL3741902 | 136849 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 426 | 5 | 3 | 4 | 5.0 | Cc1ccc(C(=O)O)c(C)c1NC(=O)c1cc(-c2cccc(CO)c2)nc2ccccc12 | 10.1016/j.bmcl.2015.11.023 | |||
53317905 | 56880 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 589 | 7 | 2 | 5 | 6.1 | Cc1ccc(S(=O)(=O)NC(=O)NCCc2ccc(-c3c(C(=O)N(C)C)sc4c(Cl)cc(Cl)cc34)cc2)cc1 | 10.1016/j.bmcl.2010.11.118 | |||
CHEMBL1644011 | 56880 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 589 | 7 | 2 | 5 | 6.1 | Cc1ccc(S(=O)(=O)NC(=O)NCCc2ccc(-c3c(C(=O)N(C)C)sc4c(Cl)cc(Cl)cc34)cc2)cc1 | 10.1016/j.bmcl.2010.11.118 | |||
53316601 | 56887 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 526 | 8 | 1 | 4 | 6.3 | COc1ccccc1C1(C(=O)NCCc2ccc(-c3c(C(=O)N(C)C)sc4c(C)cc(C)cc34)cc2)CC1 | 10.1016/j.bmcl.2010.11.118 | |||
CHEMBL1644018 | 56887 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 526 | 8 | 1 | 4 | 6.3 | COc1ccccc1C1(C(=O)NCCc2ccc(-c3c(C(=O)N(C)C)sc4c(C)cc(C)cc34)cc2)CC1 | 10.1016/j.bmcl.2010.11.118 | |||
53320545 | 56888 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 538 | 7 | 1 | 3 | 7.1 | Cc1cc(C)c2sc(C(=O)N(C)C)c(-c3ccc(CCNC(=O)Cc4c(Cl)cccc4Cl)cc3)c2c1 | 10.1016/j.bmcl.2010.11.118 | |||
CHEMBL1644019 | 56888 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 538 | 7 | 1 | 3 | 7.1 | Cc1cc(C)c2sc(C(=O)N(C)C)c(-c3ccc(CCNC(=O)Cc4c(Cl)cccc4Cl)cc3)c2c1 | 10.1016/j.bmcl.2010.11.118 | |||
11405770 | 137906 | 0 | None | 2 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 361 | 11 | 2 | 3 | 3.6 | CCCCC[C@H](O)CC[C@H]1CCC(=O)N1CCc1ccc(C(=O)O)cc1 | 10.1021/jm049290a | |||
CHEMBL376347 | 137906 | 0 | None | 2 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 361 | 11 | 2 | 3 | 3.6 | CCCCC[C@H](O)CC[C@H]1CCC(=O)N1CCc1ccc(C(=O)O)cc1 | 10.1021/jm049290a | |||
15947448 | 97651 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 711 | 11 | 1 | 8 | 5.8 | COc1ccccc1CC(=O)NS(=O)(=O)Cc1ccc(N2Cc3c(c(OCC(F)(F)F)c4cccnc4c3OCC(F)(F)F)C2=O)c(C)c1 | 10.1016/j.bmcl.2008.01.103 | |||
CHEMBL271095 | 97651 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 711 | 11 | 1 | 8 | 5.8 | COc1ccccc1CC(=O)NS(=O)(=O)Cc1ccc(N2Cc3c(c(OCC(F)(F)F)c4cccnc4c3OCC(F)(F)F)C2=O)c(C)c1 | 10.1016/j.bmcl.2008.01.103 | |||
53316600 | 56885 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 500 | 8 | 1 | 4 | 5.8 | COc1ccccc1CC(=O)NCCc1ccc(-c2c(C(=O)N(C)C)sc3c(C)cc(C)cc23)cc1 | 10.1016/j.bmcl.2010.11.118 | |||
CHEMBL1644016 | 56885 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 500 | 8 | 1 | 4 | 5.8 | COc1ccccc1CC(=O)NCCc1ccc(-c2c(C(=O)N(C)C)sc3c(C)cc(C)cc23)cc1 | 10.1016/j.bmcl.2010.11.118 | |||
53320544 | 56886 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 471 | 7 | 1 | 4 | 5.2 | Cc1cc(C)c2sc(C(=O)N(C)C)c(-c3ccc(CCNC(=O)Cc4ccccn4)cc3)c2c1 | 10.1016/j.bmcl.2010.11.118 | |||
CHEMBL1644017 | 56886 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 471 | 7 | 1 | 4 | 5.2 | Cc1cc(C)c2sc(C(=O)N(C)C)c(-c3ccc(CCNC(=O)Cc4ccccn4)cc3)c2c1 | 10.1016/j.bmcl.2010.11.118 | |||
46887056 | 8511 | 0 | None | -457 | 2 | Mouse | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 491 | 11 | 2 | 3 | 6.6 | Cc1cc(C)cc([C@@H](CC(C)C)NC(=O)c2cc(COc3cccc(F)c3)ccc2CCC(=O)O)c1 | 10.1016/j.bmc.2010.03.028 | |||
CHEMBL1094155 | 8511 | 0 | None | -457 | 2 | Mouse | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 491 | 11 | 2 | 3 | 6.6 | Cc1cc(C)cc([C@@H](CC(C)C)NC(=O)c2cc(COc3cccc(F)c3)ccc2CCC(=O)O)c1 | 10.1016/j.bmc.2010.03.028 | |||
12112238 | 118069 | 0 | None | -20 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 406 | 7 | 1 | 2 | 6.7 | O=C(O)/C=C/c1ccccc1-c1cccc(-c2ccccc2OCc2ccccc2)c1 | 10.1016/s0960-894x(03)00794-7 | |||
CHEMBL340501 | 118069 | 0 | None | -20 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 406 | 7 | 1 | 2 | 6.7 | O=C(O)/C=C/c1ccccc1-c1cccc(-c2ccccc2OCc2ccccc2)c1 | 10.1016/s0960-894x(03)00794-7 | |||
44349503 | 168388 | 0 | None | -107 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 553 | 10 | 1 | 5 | 7.1 | O=C(CCc1ccccc1-c1cccc(-c2ccccc2OCc2ccccc2)c1)NS(=O)(=O)c1cccs1 | 10.1016/s0960-894x(03)00794-7 | |||
CHEMBL434637 | 168388 | 0 | None | -107 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 553 | 10 | 1 | 5 | 7.1 | O=C(CCc1ccccc1-c1cccc(-c2ccccc2OCc2ccccc2)c1)NS(=O)(=O)c1cccs1 | 10.1016/s0960-894x(03)00794-7 | |||
44390806 | 64076 | 0 | None | -41 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 386 | 8 | 1 | 2 | 5.9 | Cc1cccc(C2CC2c2ccccc2CCC(=O)O)c1OCc1ccccc1 | 10.1016/j.bmcl.2004.11.051 | |||
CHEMBL180752 | 64076 | 0 | None | -41 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 386 | 8 | 1 | 2 | 5.9 | Cc1cccc(C2CC2c2ccccc2CCC(=O)O)c1OCc1ccccc1 | 10.1016/j.bmcl.2004.11.051 | |||
53323178 | 56876 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 521 | 7 | 3 | 5 | 4.8 | Cc1ccc(S(=O)(=O)NC(=O)NCCc2ccc(-c3c(C(N)=O)sc4c(C)cc(C)cc34)cc2)cc1 | 10.1016/j.bmcl.2010.11.118 | |||
CHEMBL1644008 | 56876 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 521 | 7 | 3 | 5 | 4.8 | Cc1ccc(S(=O)(=O)NC(=O)NCCc2ccc(-c3c(C(N)=O)sc4c(C)cc(C)cc34)cc2)cc1 | 10.1016/j.bmcl.2010.11.118 | |||
10295421 | 94195 | 0 | None | 316 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 416 | 9 | 2 | 4 | 3.0 | O=C(O)c1ccc(CCN2C(=O)CCN2CCC(O)Cc2cccc(Cl)c2)cc1 | 10.1016/j.bmcl.2007.09.074 | |||
CHEMBL249744 | 94195 | 0 | None | 316 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 416 | 9 | 2 | 4 | 3.0 | O=C(O)c1ccc(CCN2C(=O)CCN2CCC(O)Cc2cccc(Cl)c2)cc1 | 10.1016/j.bmcl.2007.09.074 | |||
11337782 | 84941 | 0 | None | 12 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 373 | 10 | 2 | 3 | 3.6 | O=C(O)c1ccc(CCN2C(=O)CC[C@@H]2CC[C@@H](O)CCC2CCC2)cc1 | 10.1021/jm049290a | |||
CHEMBL223744 | 84941 | 0 | None | 12 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 373 | 10 | 2 | 3 | 3.6 | O=C(O)c1ccc(CCN2C(=O)CC[C@@H]2CC[C@@H](O)CCC2CCC2)cc1 | 10.1021/jm049290a | |||
46887240 | 8752 | 0 | None | -457 | 3 | Mouse | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 472 | 10 | 3 | 3 | 6.9 | Cc1cccc(Nc2ccc(CCC(=O)O)c(C(=O)N[C@H](CC(C)C)c3cc(C)cc(C)c3)c2)c1 | 10.1016/j.bmc.2010.03.028 | |||
CHEMBL1096382 | 8752 | 0 | None | -457 | 3 | Mouse | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 472 | 10 | 3 | 3 | 6.9 | Cc1cccc(Nc2ccc(CCC(=O)O)c(C(=O)N[C@H](CC(C)C)c3cc(C)cc(C)c3)c2)c1 | 10.1016/j.bmc.2010.03.028 | |||
21362851 | 116902 | 0 | None | -32 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 408 | 8 | 1 | 2 | 6.6 | O=C(O)CCc1ccccc1-c1cccc(-c2ccccc2OCc2ccccc2)c1 | 10.1016/s0960-894x(03)00794-7 | |||
CHEMBL338388 | 116902 | 0 | None | -32 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 408 | 8 | 1 | 2 | 6.6 | O=C(O)CCc1ccccc1-c1cccc(-c2ccccc2OCc2ccccc2)c1 | 10.1016/s0960-894x(03)00794-7 | |||
52945419 | 16532 | 0 | None | -162 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 772 | 16 | 4 | 6 | 10.7 | O=C(O)/C=C/c1ccccc1/C=C/Cc1cccc(O)c1OCc1ccccc1.O=C(O)/C=C/c1ccccc1C/C=C\c1cccc(O)c1OCc1ccccc1 | 10.1016/j.bmcl.2004.11.051 | |||
CHEMBL1237296 | 16532 | 0 | None | -162 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 772 | 16 | 4 | 6 | 10.7 | O=C(O)/C=C/c1ccccc1/C=C/Cc1cccc(O)c1OCc1ccccc1.O=C(O)/C=C/c1ccccc1C/C=C\c1cccc(O)c1OCc1ccccc1 | 10.1016/j.bmcl.2004.11.051 | |||
46886451 | 8134 | 0 | None | -13803 | 3 | Mouse | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 576 | 11 | 2 | 7 | 4.9 | O=C(CCc1ccc(Cn2cccn2)cc1ONCc1cccc2ccccc12)NS(=O)(=O)c1ccc(F)c(F)c1 | 10.1016/j.bmcl.2010.02.034 | |||
CHEMBL1091743 | 8134 | 0 | None | -13803 | 3 | Mouse | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 576 | 11 | 2 | 7 | 4.9 | O=C(CCc1ccc(Cn2cccn2)cc1ONCc1cccc2ccccc12)NS(=O)(=O)c1ccc(F)c(F)c1 | 10.1016/j.bmcl.2010.02.034 | |||
9975502 | 94487 | 0 | None | -1 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 355 | 9 | 1 | 2 | 4.6 | CCCC/C(C)=C/C=C/[C@H]1CCC(=O)N1CCc1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2007.05.025 | |||
CHEMBL251504 | 94487 | 0 | None | -1 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 355 | 9 | 1 | 2 | 4.6 | CCCC/C(C)=C/C=C/[C@H]1CCC(=O)N1CCc1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2007.05.025 | |||
53320543 | 56883 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 549 | 7 | 2 | 5 | 5.4 | Cc1ccc(S(=O)(=O)NC(=O)NCCc2ccc(-c3c(C(=O)N(C)C)sc4c(C)ccc(C)c34)cc2)cc1 | 10.1016/j.bmcl.2010.11.118 | |||
CHEMBL1644014 | 56883 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 549 | 7 | 2 | 5 | 5.4 | Cc1ccc(S(=O)(=O)NC(=O)NCCc2ccc(-c3c(C(=O)N(C)C)sc4c(C)ccc(C)c34)cc2)cc1 | 10.1016/j.bmcl.2010.11.118 | |||
23016850 | 200266 | 0 | None | -1479 | 2 | Mouse | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 491 | 11 | 2 | 3 | 6.6 | Cc1cc(C)cc(C(CC(C)C)NC(=O)c2cc(COc3cccc(F)c3)ccc2CCC(=O)O)c1 | 10.1016/j.bmc.2009.12.068 | |||
CHEMBL597146 | 200266 | 0 | None | -1479 | 2 | Mouse | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 491 | 11 | 2 | 3 | 6.6 | Cc1cc(C)cc(C(CC(C)C)NC(=O)c2cc(COc3cccc(F)c3)ccc2CCC(=O)O)c1 | 10.1016/j.bmc.2009.12.068 | |||
11315933 | 123292 | 4 | None | -1047 | 5 | Mouse | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 413 | 7 | 1 | 4 | 4.9 | Cc1cc2c(CC(=O)O)cccc2n1C(=O)c1ccc(OCCc2ccccc2)cc1 | 10.1016/j.bmcl.2004.07.039 | |||
CHEMBL361457 | 123292 | 4 | None | -1047 | 5 | Mouse | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 413 | 7 | 1 | 4 | 4.9 | Cc1cc2c(CC(=O)O)cccc2n1C(=O)c1ccc(OCCc2ccccc2)cc1 | 10.1016/j.bmcl.2004.07.039 | |||
10178073 | 16557 | 0 | None | -269 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 384 | 8 | 1 | 2 | 5.9 | Cc1cccc(/C=C/Cc2ccccc2/C=C/C(=O)O)c1OCc1ccccc1 | 10.1016/s0960-894x(03)00794-7 | |||
CHEMBL123794 | 16557 | 0 | None | -269 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 384 | 8 | 1 | 2 | 5.9 | Cc1cccc(/C=C/Cc2ccccc2/C=C/C(=O)O)c1OCc1ccccc1 | 10.1016/s0960-894x(03)00794-7 | |||
10178073 | 16557 | 0 | None | -269 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 384 | 8 | 1 | 2 | 5.9 | Cc1cccc(/C=C/Cc2ccccc2/C=C/C(=O)O)c1OCc1ccccc1 | 10.1016/j.bmcl.2004.11.051 | |||
CHEMBL123794 | 16557 | 0 | None | -269 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 384 | 8 | 1 | 2 | 5.9 | Cc1cccc(/C=C/Cc2ccccc2/C=C/C(=O)O)c1OCc1ccccc1 | 10.1016/j.bmcl.2004.11.051 | |||
23017322 | 200231 | 0 | None | -107 | 2 | Mouse | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 459 | 12 | 2 | 3 | 5.7 | CC(C)CC(Cc1ccccc1)NC(=O)c1cc(COc2ccccc2)ccc1CCC(=O)O | 10.1016/j.bmc.2009.11.023 | |||
CHEMBL596902 | 200231 | 0 | None | -107 | 2 | Mouse | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 459 | 12 | 2 | 3 | 5.7 | CC(C)CC(Cc1ccccc1)NC(=O)c1cc(COc2ccccc2)ccc1CCC(=O)O | 10.1016/j.bmc.2009.11.023 | |||
44324368 | 96516 | 0 | None | -4 | 4 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 587 | 6 | 2 | 4 | 6.8 | O=C(Nc1ccccc1)NS(=O)(=O)c1ccccc1-c1ccc(CN2C(=O)c3ccccc3CCc3ccccc32)cc1 | 10.1016/s0960-894x(99)00465-5 | |||
CHEMBL262690 | 96516 | 0 | None | -4 | 4 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 587 | 6 | 2 | 4 | 6.8 | O=C(Nc1ccccc1)NS(=O)(=O)c1ccccc1-c1ccc(CN2C(=O)c3ccccc3CCc3ccccc32)cc1 | 10.1016/s0960-894x(99)00465-5 | |||
10144273 | 205832 | 0 | None | -158 | 4 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 558 | 8 | 1 | 5 | 7.2 | O=C(CCc1ccccc1-c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1)NS(=O)(=O)c1cccs1 | 10.1016/s0960-894x(02)00518-8 | |||
CHEMBL83450 | 205832 | 0 | None | -158 | 4 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 558 | 8 | 1 | 5 | 7.2 | O=C(CCc1ccccc1-c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1)NS(=O)(=O)c1cccs1 | 10.1016/s0960-894x(02)00518-8 | |||
145970635 | 165065 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 419 | 7 | 1 | 4 | 5.0 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(C(C)C(=O)O)cc1)C2 | 10.1016/j.bmcl.2018.03.091 | |||
CHEMBL4226720 | 165065 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 419 | 7 | 1 | 4 | 5.0 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(C(C)C(=O)O)cc1)C2 | 10.1016/j.bmcl.2018.03.091 | |||
53325841 | 56884 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 452 | 5 | 1 | 4 | 6.0 | Cc1cc(C)c2sc(C(=O)N(C)C)c(-c3ccc(CCNC(=O)OC(C)(C)C)cc3)c2c1 | 10.1016/j.bmcl.2010.11.118 | |||
CHEMBL1644015 | 56884 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 452 | 5 | 1 | 4 | 6.0 | Cc1cc(C)c2sc(C(=O)N(C)C)c(-c3ccc(CCNC(=O)OC(C)(C)C)cc3)c2c1 | 10.1016/j.bmcl.2010.11.118 | |||
10276417 | 165101 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 461 | 11 | 1 | 4 | 6.0 | CCCCOc1c2c(c(OCCCC)c3ccccc13)C(=O)N(c1ccc(CC(=O)O)cc1)C2 | 10.1016/j.bmcl.2018.03.091 | |||
CHEMBL4227243 | 165101 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 461 | 11 | 1 | 4 | 6.0 | CCCCOc1c2c(c(OCCCC)c3ccccc13)C(=O)N(c1ccc(CC(=O)O)cc1)C2 | 10.1016/j.bmcl.2018.03.091 | |||
44453657 | 155382 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 562 | 10 | 1 | 8 | 3.9 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CS(=O)(=O)NC(=O)Cn3nccc3C)cc1)C2 | 10.1016/j.bmcl.2008.01.103 | |||
CHEMBL403492 | 155382 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 562 | 10 | 1 | 8 | 3.9 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CS(=O)(=O)NC(=O)Cn3nccc3C)cc1)C2 | 10.1016/j.bmcl.2008.01.103 | |||
9934368 | 138919 | 11 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 469 | 10 | 2 | 4 | 4.8 | O=C(O)c1ccc(CCCN2C(=O)CC[C@@H]2CC[C@@H](O)Cc2cccc(C(F)(F)F)c2)s1 | 10.1016/j.ejmech.2021.113842 | |||
CHEMBL378376 | 138919 | 11 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 469 | 10 | 2 | 4 | 4.8 | O=C(O)c1ccc(CCCN2C(=O)CC[C@@H]2CC[C@@H](O)Cc2cccc(C(F)(F)F)c2)s1 | 10.1016/j.ejmech.2021.113842 | |||
9981052 | 69351 | 0 | None | 794 | 2 | Mouse | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 447 | 11 | 2 | 5 | 3.6 | O=C(O)CCCSCCN1C(=O)OC[C@@H]1/C=C/[C@@H](O)Cc1cccc(C(F)(F)F)c1 | 10.1016/j.bmc.2011.12.009 | |||
CHEMBL1929533 | 69351 | 0 | None | 794 | 2 | Mouse | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 447 | 11 | 2 | 5 | 3.6 | O=C(O)CCCSCCN1C(=O)OC[C@@H]1/C=C/[C@@H](O)Cc1cccc(C(F)(F)F)c1 | 10.1016/j.bmc.2011.12.009 | |||
57394140 | 69369 | 0 | None | 707 | 3 | Mouse | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 419 | 13 | 2 | 4 | 4.1 | COCc1cccc(C[C@H](O)/C=C/[C@H]2CCC(=S)N2CCCCCCC(=O)O)c1 | 10.1016/j.bmc.2011.12.009 | |||
CHEMBL1929550 | 69369 | 0 | None | 707 | 3 | Mouse | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 419 | 13 | 2 | 4 | 4.1 | COCc1cccc(C[C@H](O)/C=C/[C@H]2CCC(=S)N2CCCCCCC(=O)O)c1 | 10.1016/j.bmc.2011.12.009 | |||
9885106 | 84771 | 0 | None | 1 | 6 | Mouse | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 357 | 13 | 2 | 4 | 3.1 | CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)N1CCSCCCC(=O)O | 10.1016/j.bmcl.2011.10.109 | |||
CHEMBL223151 | 84771 | 0 | None | 1 | 6 | Mouse | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 357 | 13 | 2 | 4 | 3.1 | CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)N1CCSCCCC(=O)O | 10.1016/j.bmcl.2011.10.109 | |||
9885106 | 84771 | 0 | None | 1 | 6 | Mouse | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 357 | 13 | 2 | 4 | 3.1 | CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)N1CCSCCCC(=O)O | 10.1016/j.bmc.2012.02.018 | |||
CHEMBL223151 | 84771 | 0 | None | 1 | 6 | Mouse | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 357 | 13 | 2 | 4 | 3.1 | CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)N1CCSCCCC(=O)O | 10.1016/j.bmc.2012.02.018 | |||
18444629 | 110815 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 460 | 7 | 2 | 5 | 5.3 | Cc1ccccc1S(=O)(=O)NC(=O)c1cc(CNc2ccc(-c3ccccc3)cc2)c(C)o1 | 10.1016/j.bmcl.2014.02.068 | |||
CHEMBL3260766 | 110815 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 460 | 7 | 2 | 5 | 5.3 | Cc1ccccc1S(=O)(=O)NC(=O)c1cc(CNc2ccc(-c3ccccc3)cc2)c(C)o1 | 10.1016/j.bmcl.2014.02.068 | |||
10291963 | 84706 | 0 | None | -1 | 6 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 359 | 10 | 2 | 3 | 3.4 | CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)N1CCc1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2007.11.020 | |||
CHEMBL222715 | 84706 | 0 | None | -1 | 6 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 359 | 10 | 2 | 3 | 3.4 | CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)N1CCc1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2007.11.020 | |||
44455084 | 97865 | 0 | None | 10 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 399 | 10 | 2 | 3 | 4.2 | CCCCC1([C@@H](O)/C=C/[C@H]2CCC(=O)N2CCc2ccc(C(=O)O)cc2)CCC1 | 10.1016/j.bmcl.2007.11.020 | |||
CHEMBL272277 | 97865 | 0 | None | 10 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 399 | 10 | 2 | 3 | 4.2 | CCCCC1([C@@H](O)/C=C/[C@H]2CCC(=O)N2CCc2ccc(C(=O)O)cc2)CCC1 | 10.1016/j.bmcl.2007.11.020 | |||
118517360 | 143973 | 0 | None | 1380 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 412 | 8 | 2 | 3 | 4.7 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2cccc(Cl)c2)cc1 | nan | |||
CHEMBL3902700 | 143973 | 0 | None | 1380 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 412 | 8 | 2 | 3 | 4.7 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2cccc(Cl)c2)cc1 | nan | |||
92135977 | 152894 | 0 | None | 275 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 396 | 8 | 2 | 3 | 4.2 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2cccc(F)c2)cc1 | nan | |||
CHEMBL3974652 | 152894 | 0 | None | 275 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 396 | 8 | 2 | 3 | 4.2 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2cccc(F)c2)cc1 | nan | |||
118517488 | 153709 | 0 | None | 56 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 414 | 8 | 2 | 3 | 4.4 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2cccc(F)c2F)cc1 | nan | |||
CHEMBL3981554 | 153709 | 0 | None | 56 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 414 | 8 | 2 | 3 | 4.4 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2cccc(F)c2F)cc1 | nan | |||
44304389 | 203151 | 0 | None | -1 | 4 | Mouse | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 372 | 13 | 3 | 5 | 3.0 | CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCSCC(=O)O | 10.1016/s0960-894x(01)00365-1 | |||
CHEMBL64188 | 203151 | 0 | None | -1 | 4 | Mouse | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 372 | 13 | 3 | 5 | 3.0 | CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCSCC(=O)O | 10.1016/s0960-894x(01)00365-1 | |||
53325840 | 56872 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 569 | 7 | 2 | 5 | 5.8 | Cc1cc(C)c2sc(C(=O)N(C)C)c(-c3ccc(CCNC(=O)NS(=O)(=O)c4ccc(Cl)cc4)cc3)c2c1 | 10.1016/j.bmcl.2010.11.118 | |||
CHEMBL1644004 | 56872 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 569 | 7 | 2 | 5 | 5.8 | Cc1cc(C)c2sc(C(=O)N(C)C)c(-c3ccc(CCNC(=O)NS(=O)(=O)c4ccc(Cl)cc4)cc3)c2c1 | 10.1016/j.bmcl.2010.11.118 | |||
53320544 | 56886 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 471 | 7 | 1 | 4 | 5.2 | Cc1cc(C)c2sc(C(=O)N(C)C)c(-c3ccc(CCNC(=O)Cc4ccccn4)cc3)c2c1 | 10.1016/j.bmcl.2010.11.118 | |||
CHEMBL1644017 | 56886 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 471 | 7 | 1 | 4 | 5.2 | Cc1cc(C)c2sc(C(=O)N(C)C)c(-c3ccc(CCNC(=O)Cc4ccccn4)cc3)c2c1 | 10.1016/j.bmcl.2010.11.118 | |||
44453566 | 95392 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 645 | 12 | 1 | 9 | 4.9 | CCOc1c2c(c(OCC)c3ncccc13)CN(c1ccc(CS(=O)(=O)NC(=O)Cc3c(OC)cccc3C(C)=O)cc1C)C2=O | 10.1016/j.bmcl.2008.01.103 | |||
CHEMBL256873 | 95392 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 645 | 12 | 1 | 9 | 4.9 | CCOc1c2c(c(OCC)c3ncccc13)CN(c1ccc(CS(=O)(=O)NC(=O)Cc3c(OC)cccc3C(C)=O)cc1C)C2=O | 10.1016/j.bmcl.2008.01.103 | |||
15947856 | 155725 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 659 | 12 | 1 | 9 | 5.2 | CCOc1c2c(c(OCC)c3ncccc13)CN(c1ccc(CS(=O)(=O)NC(=O)C3(c4c(OC)cccc4OC)CC3)cc1C)C2=O | 10.1016/j.bmcl.2008.01.103 | |||
CHEMBL405446 | 155725 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 659 | 12 | 1 | 9 | 5.2 | CCOc1c2c(c(OCC)c3ncccc13)CN(c1ccc(CS(=O)(=O)NC(=O)C3(c4c(OC)cccc4OC)CC3)cc1C)C2=O | 10.1016/j.bmcl.2008.01.103 | |||
53317329 | 57105 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 512 | 6 | 2 | 3 | 5.9 | C[C@H](NC(=O)c1cccc2c1N(Cc1ccc(Cl)cc1Br)CC2)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2010.10.106 | |||
CHEMBL1645144 | 57105 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 512 | 6 | 2 | 3 | 5.9 | C[C@H](NC(=O)c1cccc2c1N(Cc1ccc(Cl)cc1Br)CC2)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2010.10.106 | |||
44304058 | 203175 | 0 | None | 4 | 5 | Mouse | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 374 | 13 | 3 | 6 | 2.0 | CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1SCCCOCC(=O)O | 10.1016/s0960-894x(01)00364-x | |||
CHEMBL64254 | 203175 | 0 | None | 4 | 5 | Mouse | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 374 | 13 | 3 | 6 | 2.0 | CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1SCCCOCC(=O)O | 10.1016/s0960-894x(01)00364-x | |||
72706947 | 174662 | 20 | None | 371 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 363 | 11 | 2 | 3 | 3.4 | CCC#CC[C@H](C)[C@H](O)/C=C/[C@H]1CCC(=O)N1CCCCCCC(=O)O | 10.1021/acs.jmedchem.9b00336 | |||
CHEMBL4558749 | 174662 | 20 | None | 371 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 363 | 11 | 2 | 3 | 3.4 | CCC#CC[C@H](C)[C@H](O)/C=C/[C@H]1CCC(=O)N1CCCCCCC(=O)O | 10.1021/acs.jmedchem.9b00336 | |||
24953625 | 201530 | 0 | None | 323 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 461 | 6 | 2 | 3 | 6.2 | Cc1sc(C)c(C(=O)N[C@@H](C)c2ccc(C(=O)O)cc2)c1Cc1cccc(C(F)(F)F)c1 | nan | |||
CHEMBL605330 | 201530 | 0 | None | 323 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 461 | 6 | 2 | 3 | 6.2 | Cc1sc(C)c(C(=O)N[C@@H](C)c2ccc(C(=O)O)cc2)c1Cc1cccc(C(F)(F)F)c1 | nan | |||
15948442 | 95622 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 574 | 10 | 1 | 8 | 4.1 | CCOc1c2c(c(OCC)c3ncccc13)CN(c1ccc(CS(=O)(=O)NC(=O)Cc3ccccn3)cc1C)C2=O | 10.1016/j.bmcl.2008.01.103 | |||
CHEMBL257886 | 95622 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 574 | 10 | 1 | 8 | 4.1 | CCOc1c2c(c(OCC)c3ncccc13)CN(c1ccc(CS(=O)(=O)NC(=O)Cc3ccccn3)cc1C)C2=O | 10.1016/j.bmcl.2008.01.103 | |||
10145097 | 155577 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 588 | 11 | 1 | 7 | 5.0 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CS(=O)(=O)NC(=O)Cc3cccc(OC)c3)cc1)C2 | 10.1016/j.bmcl.2008.01.103 | |||
CHEMBL404440 | 155577 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 588 | 11 | 1 | 7 | 5.0 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CS(=O)(=O)NC(=O)Cc3cccc(OC)c3)cc1)C2 | 10.1016/j.bmcl.2008.01.103 | |||
9845064 | 69346 | 0 | None | 79 | 3 | Mouse | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 420 | 13 | 2 | 5 | 3.9 | COCc1cccc(C[C@H](O)/C=C/[C@H]2CCC(=O)[C@@H]2CCSCCCC(=O)O)c1 | 10.1016/j.bmc.2011.12.009 | |||
CHEMBL1929528 | 69346 | 0 | None | 79 | 3 | Mouse | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 420 | 13 | 2 | 5 | 3.9 | COCc1cccc(C[C@H](O)/C=C/[C@H]2CCC(=O)[C@@H]2CCSCCCC(=O)O)c1 | 10.1016/j.bmc.2011.12.009 | |||
10320021 | 69350 | 0 | None | 794 | 2 | Mouse | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 421 | 13 | 2 | 5 | 3.5 | CCCc1cccc(C[C@H](O)/C=C/[C@H]2COC(=O)N2CCSCCCC(=O)O)c1 | 10.1016/j.bmc.2011.12.009 | |||
CHEMBL1929532 | 69350 | 0 | None | 794 | 2 | Mouse | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 421 | 13 | 2 | 5 | 3.5 | CCCc1cccc(C[C@H](O)/C=C/[C@H]2COC(=O)N2CCSCCCC(=O)O)c1 | 10.1016/j.bmc.2011.12.009 | |||
46890616 | 7084 | 0 | None | 169 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 450 | 6 | 2 | 3 | 5.7 | C[C@H](NC(=O)c1cc(F)cc2ccn(Cc3cccc(Cl)c3)c12)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2010.04.065 | |||
CHEMBL1085041 | 7084 | 0 | None | 169 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 450 | 6 | 2 | 3 | 5.7 | C[C@H](NC(=O)c1cc(F)cc2ccn(Cc3cccc(Cl)c3)c12)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2010.04.065 | |||
56665984 | 63353 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 766 | 22 | 4 | 10 | 4.9 | O=C1CC[C@H](/C=C/[C@@H](O)Cc2ccccc2)N1CCCCCCc1nnn[nH]1.O=C1CC[C@H](/C=C/[C@H](O)Cc2ccccc2)N1CCCCCCc1nnn[nH]1 | 10.1016/s0960-894x(03)00042-8 | |||
CHEMBL1794823 | 63353 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 766 | 22 | 4 | 10 | 4.9 | O=C1CC[C@H](/C=C/[C@@H](O)Cc2ccccc2)N1CCCCCCc1nnn[nH]1.O=C1CC[C@H](/C=C/[C@H](O)Cc2ccccc2)N1CCCCCCc1nnn[nH]1 | 10.1016/s0960-894x(03)00042-8 | |||
10023506 | 69348 | 0 | None | 1122 | 3 | Mouse | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 393 | 11 | 2 | 5 | 2.9 | Cc1cccc(C[C@H](O)/C=C/[C@H]2COC(=O)N2CCSCCCC(=O)O)c1 | 10.1016/j.bmc.2011.12.009 | |||
CHEMBL1929530 | 69348 | 0 | None | 1122 | 3 | Mouse | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 393 | 11 | 2 | 5 | 2.9 | Cc1cccc(C[C@H](O)/C=C/[C@H]2COC(=O)N2CCSCCCC(=O)O)c1 | 10.1016/j.bmc.2011.12.009 | |||
44442327 | 94457 | 0 | None | 147 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 345 | 9 | 2 | 3 | 3.0 | CCCC[C@H](O)/C=C/[C@H]1CCC(=O)N1CCc1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2007.05.025 | |||
CHEMBL251294 | 94457 | 0 | None | 147 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 345 | 9 | 2 | 3 | 3.0 | CCCC[C@H](O)/C=C/[C@H]1CCC(=O)N1CCc1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2007.05.025 | |||
24953625 | 201530 | 0 | None | 323 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 461 | 6 | 2 | 3 | 6.2 | Cc1sc(C)c(C(=O)N[C@@H](C)c2ccc(C(=O)O)cc2)c1Cc1cccc(C(F)(F)F)c1 | 10.1021/jm901771h | |||
CHEMBL605330 | 201530 | 0 | None | 323 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 461 | 6 | 2 | 3 | 6.2 | Cc1sc(C)c(C(=O)N[C@@H](C)c2ccc(C(=O)O)cc2)c1Cc1cccc(C(F)(F)F)c1 | 10.1021/jm901771h | |||
24952576 | 132108 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 457 | 6 | 2 | 5 | 5.3 | CC(NC(=O)c1sc(Cl)cc1Cc1cccc(Cl)c1)c1ccc(-c2nn[nH]n2)cc1 | nan | |||
CHEMBL3695935 | 132108 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 457 | 6 | 2 | 5 | 5.3 | CC(NC(=O)c1sc(Cl)cc1Cc1cccc(Cl)c1)c1ccc(-c2nn[nH]n2)cc1 | nan | |||
44269544 | 35250 | 0 | None | 7762 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 359 | 11 | 2 | 3 | 3.2 | O=C(O)CCCCCCN1C(=O)CC[C@@H]1/C=C/C(O)Cc1ccccc1 | 10.1016/s0960-894x(03)00042-8 | |||
CHEMBL14359 | 35250 | 0 | None | 7762 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 359 | 11 | 2 | 3 | 3.2 | O=C(O)CCCCCCN1C(=O)CC[C@@H]1/C=C/C(O)Cc1ccccc1 | 10.1016/s0960-894x(03)00042-8 | |||
50898361 | 56871 | 0 | None | 48 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 549 | 7 | 2 | 5 | 5.4 | Cc1ccc(S(=O)(=O)NC(=O)NCCc2ccc(-c3c(C(=O)N(C)C)sc4c(C)cc(C)cc34)cc2)cc1 | 10.1016/j.bmcl.2010.11.118 | |||
CHEMBL1644003 | 56871 | 0 | None | 48 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 549 | 7 | 2 | 5 | 5.4 | Cc1ccc(S(=O)(=O)NC(=O)NCCc2ccc(-c3c(C(=O)N(C)C)sc4c(C)cc(C)cc34)cc2)cc1 | 10.1016/j.bmcl.2010.11.118 | |||
44304417 | 202108 | 0 | None | 138 | 4 | Mouse | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 438 | 13 | 3 | 4 | 4.3 | COCc1cccc(C[C@H](O)/C=C/[C@H]2[C@H](O)C[C@@H](Cl)[C@@H]2CCCCCCC(=O)O)c1 | 10.1016/s0960-894x(01)00365-1 | |||
CHEMBL60894 | 202108 | 0 | None | 138 | 4 | Mouse | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 438 | 13 | 3 | 4 | 4.3 | COCc1cccc(C[C@H](O)/C=C/[C@H]2[C@H](O)C[C@@H](Cl)[C@@H]2CCCCCCC(=O)O)c1 | 10.1016/s0960-894x(01)00365-1 | |||
53323177 | 56873 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 569 | 7 | 2 | 5 | 5.8 | Cc1cc(C)c2sc(C(=O)N(C)C)c(-c3ccc(CCNC(=O)NS(=O)(=O)c4ccccc4Cl)cc3)c2c1 | 10.1016/j.bmcl.2010.11.118 | |||
CHEMBL1644005 | 56873 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 569 | 7 | 2 | 5 | 5.8 | Cc1cc(C)c2sc(C(=O)N(C)C)c(-c3ccc(CCNC(=O)NS(=O)(=O)c4ccccc4Cl)cc3)c2c1 | 10.1016/j.bmcl.2010.11.118 | |||
24765672 | 7087 | 0 | None | 5 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 432 | 6 | 2 | 3 | 5.5 | C[C@H](NC(=O)c1cccc2ccn(Cc3cccc(Cl)c3)c12)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2010.04.065 | |||
24765672 | 7087 | 0 | None | 5 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 432 | 6 | 2 | 3 | 5.5 | C[C@H](NC(=O)c1cccc2ccn(Cc3cccc(Cl)c3)c12)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2010.10.106 | |||
CHEMBL1085081 | 7087 | 0 | None | 5 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 432 | 6 | 2 | 3 | 5.5 | C[C@H](NC(=O)c1cccc2ccn(Cc3cccc(Cl)c3)c12)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2010.04.065 | |||
CHEMBL1085081 | 7087 | 0 | None | 5 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 432 | 6 | 2 | 3 | 5.5 | C[C@H](NC(=O)c1cccc2ccn(Cc3cccc(Cl)c3)c12)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2010.10.106 | |||
15948441 | 170396 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 574 | 10 | 1 | 8 | 4.1 | CCOc1c2c(c(OCC)c3ncccc13)CN(c1ccc(CS(=O)(=O)NC(=O)Cc3cccnc3)cc1C)C2=O | 10.1016/j.bmcl.2008.01.103 | |||
CHEMBL444800 | 170396 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 574 | 10 | 1 | 8 | 4.1 | CCOc1c2c(c(OCC)c3ncccc13)CN(c1ccc(CS(=O)(=O)NC(=O)Cc3cccnc3)cc1C)C2=O | 10.1016/j.bmcl.2008.01.103 | |||
10291963 | 84706 | 0 | None | -1 | 6 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 359 | 10 | 2 | 3 | 3.4 | CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)N1CCc1ccc(C(=O)O)cc1 | 10.1021/jm049290a | |||
CHEMBL222715 | 84706 | 0 | None | -1 | 6 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 359 | 10 | 2 | 3 | 3.4 | CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)N1CCc1ccc(C(=O)O)cc1 | 10.1021/jm049290a | |||
24953628 | 200601 | 0 | None | 63 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 427 | 6 | 2 | 3 | 5.8 | Cc1sc(C)c(C(=O)N[C@@H](C)c2ccc(C(=O)O)cc2)c1Cc1ccc(Cl)cc1 | 10.1021/jm901771h | |||
CHEMBL599262 | 200601 | 0 | None | 63 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 427 | 6 | 2 | 3 | 5.8 | Cc1sc(C)c(C(=O)N[C@@H](C)c2ccc(C(=O)O)cc2)c1Cc1ccc(Cl)cc1 | 10.1021/jm901771h | |||
11677589 | 1857 | 56 | None | -1 | 4 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 491 | 7 | 2 | 6 | 4.1 | CCc1nc2c(n1c1ccc(cc1)CCNC(=O)NS(=O)(=O)c1ccc(cc1)C)cc(nc2C)C | 10.1016/j.bmcl.2017.01.067 | |||
5858 | 1857 | 56 | None | -1 | 4 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 491 | 7 | 2 | 6 | 4.1 | CCc1nc2c(n1c1ccc(cc1)CCNC(=O)NS(=O)(=O)c1ccc(cc1)C)cc(nc2C)C | 10.1016/j.bmcl.2017.01.067 | |||
CHEMBL3039498 | 1857 | 56 | None | -1 | 4 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 491 | 7 | 2 | 6 | 4.1 | CCc1nc2c(n1c1ccc(cc1)CCNC(=O)NS(=O)(=O)c1ccc(cc1)C)cc(nc2C)C | 10.1016/j.bmcl.2017.01.067 | |||
DB12836 | 1857 | 56 | None | -1 | 4 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 491 | 7 | 2 | 6 | 4.1 | CCc1nc2c(n1c1ccc(cc1)CCNC(=O)NS(=O)(=O)c1ccc(cc1)C)cc(nc2C)C | 10.1016/j.bmcl.2017.01.067 | |||
10046356 | 69352 | 0 | None | 60 | 3 | Mouse | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 397 | 11 | 2 | 5 | 2.7 | O=C(O)CCCSCCN1C(=O)OC[C@@H]1/C=C/[C@@H](O)Cc1cccc(F)c1 | 10.1016/j.bmc.2011.12.009 | |||
CHEMBL1929534 | 69352 | 0 | None | 60 | 3 | Mouse | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 397 | 11 | 2 | 5 | 2.7 | O=C(O)CCCSCCN1C(=O)OC[C@@H]1/C=C/[C@@H](O)Cc1cccc(F)c1 | 10.1016/j.bmc.2011.12.009 | |||
18444567 | 110720 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 374 | 7 | 1 | 4 | 5.1 | Cc1oc(C(=O)O)cc1COc1ccc(-c2ccc(OC(F)F)cc2)cc1 | 10.1016/j.bmcl.2014.02.068 | |||
CHEMBL3260443 | 110720 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 374 | 7 | 1 | 4 | 5.1 | Cc1oc(C(=O)O)cc1COc1ccc(-c2ccc(OC(F)F)cc2)cc1 | 10.1016/j.bmcl.2014.02.068 | |||
18444616 | 110729 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 489 | 8 | 1 | 6 | 5.2 | CC(=O)c1ccc(-c2ccc(OCc3cc(C(=O)NS(=O)(=O)c4ccccc4)oc3C)cc2)cc1 | 10.1016/j.bmcl.2014.02.068 | |||
CHEMBL3260459 | 110729 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 489 | 8 | 1 | 6 | 5.2 | CC(=O)c1ccc(-c2ccc(OCc3cc(C(=O)NS(=O)(=O)c4ccccc4)oc3C)cc2)cc1 | 10.1016/j.bmcl.2014.02.068 | |||
24765675 | 6673 | 0 | None | -1 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 466 | 6 | 2 | 3 | 6.2 | C[C@H](NC(=O)c1cccc2c(Cl)cn(Cc3cccc(Cl)c3)c12)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2010.04.065 | |||
CHEMBL1083445 | 6673 | 0 | None | -1 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 466 | 6 | 2 | 3 | 6.2 | C[C@H](NC(=O)c1cccc2c(Cl)cn(Cc3cccc(Cl)c3)c12)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2010.04.065 | |||
21362910 | 16923 | 0 | None | -3 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 422 | 9 | 1 | 2 | 7.0 | O=C(O)CCCc1ccccc1-c1cccc(-c2ccccc2OCc2ccccc2)c1 | 10.1016/s0960-894x(03)00794-7 | |||
CHEMBL125269 | 16923 | 0 | None | -3 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 422 | 9 | 1 | 2 | 7.0 | O=C(O)CCCc1ccccc1-c1cccc(-c2ccccc2OCc2ccccc2)c1 | 10.1016/s0960-894x(03)00794-7 | |||
10270893 | 94226 | 0 | None | 1 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 376 | 12 | 2 | 4 | 3.1 | CCCCCC(O)CCCN1CCC(=O)N1CCc1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2007.09.074 | |||
CHEMBL249954 | 94226 | 0 | None | 1 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 376 | 12 | 2 | 4 | 3.1 | CCCCCC(O)CCCN1CCC(=O)N1CCc1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2007.09.074 | |||
10269242 | 155573 | 0 | None | 2 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 348 | 9 | 2 | 4 | 2.2 | CC(C)CC(O)CCN1CCC(=O)N1CCc1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2007.09.074 | |||
CHEMBL404413 | 155573 | 0 | None | 2 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 348 | 9 | 2 | 4 | 2.2 | CC(C)CC(O)CCN1CCC(=O)N1CCc1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2007.09.074 | |||
52944193 | 16531 | 0 | None | -144 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 768 | 16 | 2 | 4 | 11.9 | Cc1cccc(/C=C/Cc2ccccc2/C=C/C(=O)O)c1OCc1ccccc1.Cc1cccc(C/C=C/c2ccccc2/C=C/C(=O)O)c1OCc1ccccc1 | 10.1016/j.bmcl.2004.11.051 | |||
CHEMBL1237295 | 16531 | 0 | None | -144 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 768 | 16 | 2 | 4 | 11.9 | Cc1cccc(/C=C/Cc2ccccc2/C=C/C(=O)O)c1OCc1ccccc1.Cc1cccc(C/C=C/c2ccccc2/C=C/C(=O)O)c1OCc1ccccc1 | 10.1016/j.bmcl.2004.11.051 | |||
44419374 | 82993 | 0 | None | -223 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 384 | 8 | 1 | 2 | 5.9 | Cc1ccc(OCc2ccccc2)c(/C=C/Cc2ccccc2/C=C/C(=O)O)c1 | 10.1016/j.bmcl.2006.08.025 | |||
CHEMBL218123 | 82993 | 0 | None | -223 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 384 | 8 | 1 | 2 | 5.9 | Cc1ccc(OCc2ccccc2)c(/C=C/Cc2ccccc2/C=C/C(=O)O)c1 | 10.1016/j.bmcl.2006.08.025 | |||
44419379 | 137861 | 0 | None | -223 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 384 | 8 | 1 | 2 | 5.9 | Cc1ccc(OCc2ccccc2)c(C/C=C/c2ccccc2/C=C/C(=O)O)c1 | 10.1016/j.bmcl.2006.08.025 | |||
CHEMBL376053 | 137861 | 0 | None | -223 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 384 | 8 | 1 | 2 | 5.9 | Cc1ccc(OCc2ccccc2)c(C/C=C/c2ccccc2/C=C/C(=O)O)c1 | 10.1016/j.bmcl.2006.08.025 | |||
18444589 | 110705 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 294 | 5 | 1 | 3 | 4.2 | O=C(O)c1cc(COc2ccc(-c3ccccc3)cc2)co1 | 10.1016/j.bmcl.2014.02.068 | |||
CHEMBL3260427 | 110705 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 294 | 5 | 1 | 3 | 4.2 | O=C(O)c1cc(COc2ccc(-c3ccccc3)cc2)co1 | 10.1016/j.bmcl.2014.02.068 | |||
9938626 | 206831 | 0 | None | -1258 | 7 | Human | 4.7 | pKi | = | 4.7 | 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 | 206831 | 0 | None | -1258 | 7 | Human | 4.7 | pKi | = | 4.7 | 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 | |||
18444625 | 110808 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 491 | 8 | 1 | 6 | 5.3 | COc1ccc(-c2ccc(OCc3cc(C(=O)NS(=O)(=O)c4ccccc4)oc3C)cc2)c(C)c1 | 10.1016/j.bmcl.2014.02.068 | |||
CHEMBL3260759 | 110808 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 491 | 8 | 1 | 6 | 5.3 | COc1ccc(-c2ccc(OCc3cc(C(=O)NS(=O)(=O)c4ccccc4)oc3C)cc2)c(C)c1 | 10.1016/j.bmcl.2014.02.068 | |||
21974464 | 67002 | 0 | None | -12 | 4 | Mouse | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 427 | 8 | 1 | 4 | 5.3 | Cc1cc2c(CC(=O)O)cccc2n1C(=O)c1ccc(OCCCc2ccccc2)cc1 | 10.1016/j.bmcl.2004.07.039 | |||
CHEMBL186925 | 67002 | 0 | None | -12 | 4 | Mouse | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 427 | 8 | 1 | 4 | 5.3 | Cc1cc2c(CC(=O)O)cccc2n1C(=O)c1ccc(OCCCc2ccccc2)cc1 | 10.1016/j.bmcl.2004.07.039 | |||
10287121 | 168283 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 373 | 11 | 2 | 3 | 3.6 | CC(O)(/C=C/[C@H]1CCC(=O)N1CCCCCCC(=O)O)Cc1ccccc1 | 10.1016/s0960-894x(03)00042-8 | |||
CHEMBL434002 | 168283 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 373 | 11 | 2 | 3 | 3.6 | CC(O)(/C=C/[C@H]1CCC(=O)N1CCCCCCC(=O)O)Cc1ccccc1 | 10.1016/s0960-894x(03)00042-8 | |||
44303952 | 100884 | 0 | None | -104 | 4 | Mouse | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 420 | 14 | 3 | 4 | 4.8 | CCCCCC1([C@@H](O)C/C=C/[C@H]2[C@H](O)CC(=O)[C@@H]2C/C=C\CCCC(=O)O)CCC1 | 10.1016/s0960-894x(01)00359-6 | |||
CHEMBL293697 | 100884 | 0 | None | -104 | 4 | Mouse | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 420 | 14 | 3 | 4 | 4.8 | CCCCCC1([C@@H](O)C/C=C/[C@H]2[C@H](O)CC(=O)[C@@H]2C/C=C\CCCC(=O)O)CCC1 | 10.1016/s0960-894x(01)00359-6 | |||
10136146 | 201222 | 0 | None | -16 | 2 | Mouse | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 408 | 8 | 1 | 2 | 6.2 | O=C(O)/C=C/c1ccc(Cc2ccccc2)cc1OCCc1ccc2ccccc2c1 | 10.1016/j.bmc.2009.08.007 | |||
CHEMBL603653 | 201222 | 0 | None | -16 | 2 | Mouse | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 408 | 8 | 1 | 2 | 6.2 | O=C(O)/C=C/c1ccc(Cc2ccccc2)cc1OCCc1ccc2ccccc2c1 | 10.1016/j.bmc.2009.08.007 | |||
21362863 | 18457 | 0 | None | -13 | 2 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 408 | 8 | 1 | 2 | 6.6 | O=C(O)CCc1ccccc1-c1cccc(-c2ccc(OCc3ccccc3)cc2)c1 | 10.1016/s0960-894x(03)00794-7 | |||
CHEMBL127204 | 18457 | 0 | None | -13 | 2 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 408 | 8 | 1 | 2 | 6.6 | O=C(O)CCc1ccccc1-c1cccc(-c2ccc(OCc3ccccc3)cc2)c1 | 10.1016/s0960-894x(03)00794-7 | |||
18444628 | 110730 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 415 | 7 | 1 | 6 | 3.5 | COc1ccc(-c2ccc(OCc3cc(C(=O)NS(C)(=O)=O)oc3C)cc2)cc1 | 10.1016/j.bmcl.2014.02.068 | |||
CHEMBL3260460 | 110730 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 415 | 7 | 1 | 6 | 3.5 | COc1ccc(-c2ccc(OCc3cc(C(=O)NS(C)(=O)=O)oc3C)cc2)cc1 | 10.1016/j.bmcl.2014.02.068 | |||
18444614 | 110728 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 478 | 8 | 1 | 7 | 4.4 | COc1ccc(-c2ccc(OCc3cc(C(=O)NS(=O)(=O)c4ccccc4)oc3C)cc2)nc1 | 10.1016/j.bmcl.2014.02.068 | |||
CHEMBL3260458 | 110728 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 478 | 8 | 1 | 7 | 4.4 | COc1ccc(-c2ccc(OCc3cc(C(=O)NS(=O)(=O)c4ccccc4)oc3C)cc2)nc1 | 10.1016/j.bmcl.2014.02.068 | |||
44304258 | 102354 | 0 | None | 6 | 3 | Mouse | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 424 | 11 | 3 | 6 | 2.7 | Cc1ccccc1C[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1SCCCSCC(=O)O | 10.1016/s0960-894x(01)00364-x | |||
CHEMBL303787 | 102354 | 0 | None | 6 | 3 | Mouse | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 424 | 11 | 3 | 6 | 2.7 | Cc1ccccc1C[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1SCCCSCC(=O)O | 10.1016/s0960-894x(01)00364-x | |||
53326912 | 56866 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 391 | 4 | 1 | 5 | 4.0 | Cc1cc(C)c2sc(C(=O)N(C)C)c(-c3ccc(Cc4nn[nH]n4)cc3)c2c1 | 10.1016/j.bmcl.2010.11.118 | |||
CHEMBL1643998 | 56866 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 391 | 4 | 1 | 5 | 4.0 | Cc1cc(C)c2sc(C(=O)N(C)C)c(-c3ccc(Cc4nn[nH]n4)cc3)c2c1 | 10.1016/j.bmcl.2010.11.118 | |||
53322687 | 56868 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 405 | 5 | 1 | 5 | 4.2 | Cc1cc(C)c2sc(C(=O)N(C)C)c(-c3ccc(CCc4nn[nH]n4)cc3)c2c1 | 10.1016/j.bmcl.2010.11.118 | |||
CHEMBL1644000 | 56868 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 405 | 5 | 1 | 5 | 4.2 | Cc1cc(C)c2sc(C(=O)N(C)C)c(-c3ccc(CCc4nn[nH]n4)cc3)c2c1 | 10.1016/j.bmcl.2010.11.118 | |||
10413031 | 8948 | 0 | None | -602 | 3 | Mouse | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 483 | 10 | 3 | 4 | 6.5 | Cc1cc(C)cc([C@@H](CC(C)C)NC(=O)c2cc(Nc3cccc(C#N)c3)ccc2CCC(=O)O)c1 | 10.1016/j.bmc.2010.03.028 | |||
CHEMBL1098047 | 8948 | 0 | None | -602 | 3 | Mouse | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 483 | 10 | 3 | 4 | 6.5 | Cc1cc(C)cc([C@@H](CC(C)C)NC(=O)c2cc(Nc3cccc(C#N)c3)ccc2CCC(=O)O)c1 | 10.1016/j.bmc.2010.03.028 | |||
11314979 | 66107 | 0 | None | -14 | 4 | Mouse | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 379 | 7 | 1 | 4 | 4.8 | CCCCOc1ccc(C(=O)n2c(C)c(CC(=O)O)c3cc(C)ccc32)cc1 | 10.1016/j.bmcl.2004.06.006 | |||
CHEMBL183933 | 66107 | 0 | None | -14 | 4 | Mouse | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 379 | 7 | 1 | 4 | 4.8 | CCCCOc1ccc(C(=O)n2c(C)c(CC(=O)O)c3cc(C)ccc32)cc1 | 10.1016/j.bmcl.2004.06.006 | |||
23017746 | 199847 | 0 | None | -14 | 3 | Mouse | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 414 | 8 | 1 | 3 | 6.2 | O=C(O)/C=C/c1ccc(Cc2cccs2)cc1OCCc1ccc2ccccc2c1 | 10.1016/j.bmc.2009.08.007 | |||
CHEMBL594365 | 199847 | 0 | None | -14 | 3 | Mouse | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 414 | 8 | 1 | 3 | 6.2 | O=C(O)/C=C/c1ccc(Cc2cccs2)cc1OCCc1ccc2ccccc2c1 | 10.1016/j.bmc.2009.08.007 | |||
44520990 | 199851 | 0 | None | -2 | 3 | Mouse | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 410 | 6 | 2 | 4 | 5.3 | Cc1ccc(/C=C/C(=O)O)c(OCCC2(C)CCc3c(C)c(O)c(C)c(C)c3O2)c1 | 10.1016/j.bmc.2009.08.007 | |||
CHEMBL594423 | 199851 | 0 | None | -2 | 3 | Mouse | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 410 | 6 | 2 | 4 | 5.3 | Cc1ccc(/C=C/C(=O)O)c(OCCC2(C)CCc3c(C)c(O)c(C)c(C)c3O2)c1 | 10.1016/j.bmc.2009.08.007 | |||
10294289 | 200169 | 0 | None | -138 | 2 | Mouse | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 398 | 8 | 1 | 4 | 4.8 | O=C(O)/C=C/c1ccc(Cn2ccnc2)cc1OCCc1ccc2ccccc2c1 | 10.1016/j.bmc.2009.08.007 | |||
CHEMBL596515 | 200169 | 0 | None | -138 | 2 | Mouse | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 398 | 8 | 1 | 4 | 4.8 | O=C(O)/C=C/c1ccc(Cn2ccnc2)cc1OCCc1ccc2ccccc2c1 | 10.1016/j.bmc.2009.08.007 | |||
44269597 | 99031 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 383 | 11 | 2 | 5 | 2.5 | O=C1CC[C@H](/C=C/[C@H](O)Cc2ccccc2)N1CCCCCCc1nnn[nH]1 | 10.1016/s0960-894x(03)00042-8 | |||
CHEMBL280247 | 99031 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 383 | 11 | 2 | 5 | 2.5 | O=C1CC[C@H](/C=C/[C@H](O)Cc2ccccc2)N1CCCCCCc1nnn[nH]1 | 10.1016/s0960-894x(03)00042-8 | |||
11752564 | 200301 | 0 | None | -2290 | 2 | Mouse | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 509 | 11 | 2 | 3 | 6.7 | Cc1cc(C)cc(C(CC(C)C)NC(=O)c2cc(COc3cc(F)ccc3F)ccc2CCC(=O)O)c1 | 10.1016/j.bmc.2009.12.068 | |||
CHEMBL597375 | 200301 | 0 | None | -2290 | 2 | Mouse | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 509 | 11 | 2 | 3 | 6.7 | Cc1cc(C)cc(C(CC(C)C)NC(=O)c2cc(COc3cc(F)ccc3F)ccc2CCC(=O)O)c1 | 10.1016/j.bmc.2009.12.068 | |||
11620429 | 8515 | 0 | None | -3388 | 2 | Mouse | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 509 | 11 | 2 | 3 | 6.7 | Cc1cc(C)cc([C@@H](CC(C)C)NC(=O)c2cc(COc3cc(F)ccc3F)ccc2CCC(=O)O)c1 | 10.1016/j.bmc.2010.03.028 | |||
CHEMBL1094161 | 8515 | 0 | None | -3388 | 2 | Mouse | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 509 | 11 | 2 | 3 | 6.7 | Cc1cc(C)cc([C@@H](CC(C)C)NC(=O)c2cc(COc3cc(F)ccc3F)ccc2CCC(=O)O)c1 | 10.1016/j.bmc.2010.03.028 | |||
1932 | 2940 | 5 | None | -1348 | 6 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 410 | 12 | 3 | 3 | 4.8 | C=CCC1(CCC1)[C@H](C/C=C/[C@H]1[C@H](O)C[C@H]([C@@H]1C/C=C\CCCC(=O)O)Cl)O | 10.1021/jm401431x | |||
5311228 | 2940 | 5 | None | -1348 | 6 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 410 | 12 | 3 | 3 | 4.8 | C=CCC1(CCC1)[C@H](C/C=C/[C@H]1[C@H](O)C[C@H]([C@@H]1C/C=C\CCCC(=O)O)Cl)O | 10.1021/jm401431x | |||
CHEMBL3286796 | 2940 | 5 | None | -1348 | 6 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 410 | 12 | 3 | 3 | 4.8 | C=CCC1(CCC1)[C@H](C/C=C/[C@H]1[C@H](O)C[C@H]([C@@H]1C/C=C\CCCC(=O)O)Cl)O | 10.1021/jm401431x | |||
53324525 | 56867 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 377 | 3 | 1 | 5 | 4.1 | Cc1cc(C)c2sc(C(=O)N(C)C)c(-c3ccc(-c4nn[nH]n4)cc3)c2c1 | 10.1016/j.bmcl.2010.11.118 | |||
CHEMBL1643999 | 56867 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 377 | 3 | 1 | 5 | 4.1 | Cc1cc(C)c2sc(C(=O)N(C)C)c(-c3ccc(-c4nn[nH]n4)cc3)c2c1 | 10.1016/j.bmcl.2010.11.118 | |||
44289969 | 101376 | 0 | None | 17 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 345 | 10 | 2 | 3 | 3.3 | O=C(O)CCCCCCN1C(=O)CC[C@@H]1/C=C/C(O)c1ccccc1 | 10.1016/j.bmcl.2004.01.063 | |||
CHEMBL297139 | 101376 | 0 | None | 17 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 345 | 10 | 2 | 3 | 3.3 | O=C(O)CCCCCCN1C(=O)CC[C@@H]1/C=C/C(O)c1ccccc1 | 10.1016/j.bmcl.2004.01.063 | |||
23017332 | 8255 | 0 | None | -4466 | 2 | Mouse | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 626 | 12 | 1 | 6 | 6.6 | N#Cc1cccc(OCc2ccc(CCC(=O)NS(=O)(=O)c3ccc(F)c(F)c3)c(OCCc3ccc4ccccc4c3)c2)c1 | 10.1016/j.bmcl.2010.02.034 | |||
CHEMBL1092431 | 8255 | 0 | None | -4466 | 2 | Mouse | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 626 | 12 | 1 | 6 | 6.6 | N#Cc1cccc(OCc2ccc(CCC(=O)NS(=O)(=O)c3ccc(F)c(F)c3)c(OCCc3ccc4ccccc4c3)c2)c1 | 10.1016/j.bmcl.2010.02.034 | |||
10295336 | 201444 | 0 | None | -20 | 4 | Mouse | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 415 | 8 | 1 | 3 | 4.7 | O=C(O)/C=C/c1ccc(CN2CCCC2=O)cc1OCCc1ccc2ccccc2c1 | 10.1016/j.bmc.2009.08.007 | |||
CHEMBL604897 | 201444 | 0 | None | -20 | 4 | Mouse | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 415 | 8 | 1 | 3 | 4.7 | O=C(O)/C=C/c1ccc(CN2CCCC2=O)cc1OCCc1ccc2ccccc2c1 | 10.1016/j.bmc.2009.08.007 | |||
118517454 | 154219 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 468 | 8 | 2 | 4 | 5.9 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2sc3ccccc3c2Cl)cc1 | nan | |||
CHEMBL3986027 | 154219 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 468 | 8 | 2 | 4 | 5.9 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2sc3ccccc3c2Cl)cc1 | nan | |||
57564500 | 151208 | 0 | None | -4 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 440 | 12 | 2 | 2 | 6.8 | CCCCCC(O)c1ccc([C@H]2[C@@H](Cl)C[C@@H](Cl)[C@@H]2C/C=C\CCCC(=O)O)cc1 | nan | |||
CHEMBL3959926 | 151208 | 0 | None | -4 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 440 | 12 | 2 | 2 | 6.8 | CCCCCC(O)c1ccc([C@H]2[C@@H](Cl)C[C@@H](Cl)[C@@H]2C/C=C\CCCC(=O)O)cc1 | nan | |||
11677589 | 1857 | 56 | None | -3 | 4 | Dog | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 491 | 7 | 2 | 6 | 4.1 | CCc1nc2c(n1c1ccc(cc1)CCNC(=O)NS(=O)(=O)c1ccc(cc1)C)cc(nc2C)C | 10.1016/j.bmcl.2017.01.067 | |||
5858 | 1857 | 56 | None | -3 | 4 | Dog | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 491 | 7 | 2 | 6 | 4.1 | CCc1nc2c(n1c1ccc(cc1)CCNC(=O)NS(=O)(=O)c1ccc(cc1)C)cc(nc2C)C | 10.1016/j.bmcl.2017.01.067 | |||
CHEMBL3039498 | 1857 | 56 | None | -3 | 4 | Dog | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 491 | 7 | 2 | 6 | 4.1 | CCc1nc2c(n1c1ccc(cc1)CCNC(=O)NS(=O)(=O)c1ccc(cc1)C)cc(nc2C)C | 10.1016/j.bmcl.2017.01.067 | |||
DB12836 | 1857 | 56 | None | -3 | 4 | Dog | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 491 | 7 | 2 | 6 | 4.1 | CCc1nc2c(n1c1ccc(cc1)CCNC(=O)NS(=O)(=O)c1ccc(cc1)C)cc(nc2C)C | 10.1016/j.bmcl.2017.01.067 | |||
44442334 | 94526 | 0 | None | 7 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 327 | 7 | 1 | 2 | 3.8 | CC/C(C)=C\C=C\[C@H]1CCC(=O)N1CCc1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2007.05.025 | |||
CHEMBL251710 | 94526 | 0 | None | 7 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 327 | 7 | 1 | 2 | 3.8 | CC/C(C)=C\C=C\[C@H]1CCC(=O)N1CCc1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2007.05.025 | |||
58824204 | 110820 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 510 | 8 | 1 | 8 | 4.9 | COc1ccc(-c2ccc(OCc3cc(C(=O)NS(=O)(=O)c4c(C)noc4C)oc3C)cc2)c(C)c1 | 10.1016/j.bmcl.2014.02.068 | |||
CHEMBL3260770 | 110820 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 510 | 8 | 1 | 8 | 4.9 | COc1ccc(-c2ccc(OCc3cc(C(=O)NS(=O)(=O)c4c(C)noc4C)oc3C)cc2)c(C)c1 | 10.1016/j.bmcl.2014.02.068 | |||
11398562 | 69396 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 537 | 16 | 4 | 6 | 4.4 | O=C(O)CCCCCNC(=O)[C@@H](CCCCNC(=O)OCc1ccccc1)NC(=O)c1cc2ccccc2o1 | 10.1021/jm050085k | |||
CHEMBL193236 | 69396 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 537 | 16 | 4 | 6 | 4.4 | O=C(O)CCCCCNC(=O)[C@@H](CCCCNC(=O)OCc1ccccc1)NC(=O)c1cc2ccccc2o1 | 10.1021/jm050085k | |||
9895436 | 107014 | 0 | None | -134 | 7 | Human | 5.6 | pKi | = | 5.6 | 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 | 107014 | 0 | None | -134 | 7 | Human | 5.6 | pKi | = | 5.6 | 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 | |||
44390831 | 63635 | 0 | None | -338 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 402 | 8 | 1 | 2 | 6.1 | Cc1cccc(/C=C/Cc2ccccc2/C=C/C(=O)O)c1OCc1ccc(F)cc1 | 10.1016/j.bmcl.2004.11.051 | |||
CHEMBL180089 | 63635 | 0 | None | -338 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 402 | 8 | 1 | 2 | 6.1 | Cc1cccc(/C=C/Cc2ccccc2/C=C/C(=O)O)c1OCc1ccc(F)cc1 | 10.1016/j.bmcl.2004.11.051 | |||
18444607 | 110719 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 392 | 6 | 1 | 4 | 5.4 | Cc1oc(C(=O)O)cc1COc1ccc(-c2ccc(OC(F)(F)F)cc2)cc1 | 10.1016/j.bmcl.2014.02.068 | |||
CHEMBL3260442 | 110719 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 392 | 6 | 1 | 4 | 5.4 | Cc1oc(C(=O)O)cc1COc1ccc(-c2ccc(OC(F)(F)F)cc2)cc1 | 10.1016/j.bmcl.2014.02.068 | |||
23017788 | 8132 | 0 | None | -28183 | 3 | Mouse | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 575 | 11 | 1 | 6 | 5.4 | O=C(CCc1ccc(Cn2cccn2)cc1OCCc1ccc2ccccc2c1)NS(=O)(=O)c1ccc(F)c(F)c1 | 10.1016/j.bmcl.2010.02.034 | |||
CHEMBL1091741 | 8132 | 0 | None | -28183 | 3 | Mouse | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 575 | 11 | 1 | 6 | 5.4 | O=C(CCc1ccc(Cn2cccn2)cc1OCCc1ccc2ccccc2c1)NS(=O)(=O)c1ccc(F)c(F)c1 | 10.1016/j.bmcl.2010.02.034 | |||
44269468 | 37982 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 387 | 10 | 2 | 6 | 2.2 | O=C1CC[C@H](/C=C/C(O)Cc2ccccc2)N1CCCCSc1nn[nH]n1 | 10.1016/s0960-894x(03)00042-8 | |||
CHEMBL14600 | 37982 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 387 | 10 | 2 | 6 | 2.2 | O=C1CC[C@H](/C=C/C(O)Cc2ccccc2)N1CCCCSc1nn[nH]n1 | 10.1016/s0960-894x(03)00042-8 | |||
53322687 | 56868 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 405 | 5 | 1 | 5 | 4.2 | Cc1cc(C)c2sc(C(=O)N(C)C)c(-c3ccc(CCc4nn[nH]n4)cc3)c2c1 | 10.1016/j.bmcl.2010.11.118 | |||
CHEMBL1644000 | 56868 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 405 | 5 | 1 | 5 | 4.2 | Cc1cc(C)c2sc(C(=O)N(C)C)c(-c3ccc(CCc4nn[nH]n4)cc3)c2c1 | 10.1016/j.bmcl.2010.11.118 | |||
53326912 | 56866 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 391 | 4 | 1 | 5 | 4.0 | Cc1cc(C)c2sc(C(=O)N(C)C)c(-c3ccc(Cc4nn[nH]n4)cc3)c2c1 | 10.1016/j.bmcl.2010.11.118 | |||
CHEMBL1643998 | 56866 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 391 | 4 | 1 | 5 | 4.0 | Cc1cc(C)c2sc(C(=O)N(C)C)c(-c3ccc(Cc4nn[nH]n4)cc3)c2c1 | 10.1016/j.bmcl.2010.11.118 | |||
44442332 | 94525 | 0 | None | 3 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 341 | 9 | 1 | 2 | 4.2 | CCCC/C=C\C=C\[C@H]1CCC(=O)N1CCc1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2007.05.025 | |||
CHEMBL251709 | 94525 | 0 | None | 3 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 341 | 9 | 1 | 2 | 4.2 | CCCC/C=C\C=C\[C@H]1CCC(=O)N1CCc1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2007.05.025 | |||
18444632 | 110725 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 447 | 7 | 1 | 5 | 5.0 | Cc1oc(C(=O)NS(=O)(=O)c2ccccc2)cc1COc1ccc(-c2ccccc2)cc1 | 10.1016/j.bmcl.2014.02.068 | |||
CHEMBL3260455 | 110725 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 447 | 7 | 1 | 5 | 5.0 | Cc1oc(C(=O)NS(=O)(=O)c2ccccc2)cc1COc1ccc(-c2ccccc2)cc1 | 10.1016/j.bmcl.2014.02.068 | |||
53320543 | 56883 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 549 | 7 | 2 | 5 | 5.4 | Cc1ccc(S(=O)(=O)NC(=O)NCCc2ccc(-c3c(C(=O)N(C)C)sc4c(C)ccc(C)c34)cc2)cc1 | 10.1016/j.bmcl.2010.11.118 | |||
CHEMBL1644014 | 56883 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 549 | 7 | 2 | 5 | 5.4 | Cc1ccc(S(=O)(=O)NC(=O)NCCc2ccc(-c3c(C(=O)N(C)C)sc4c(C)ccc(C)c34)cc2)cc1 | 10.1016/j.bmcl.2010.11.118 | |||
9863804 | 94096 | 0 | None | 8 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 362 | 11 | 2 | 4 | 2.7 | CCCCCC(O)CCN1CCC(=O)N1CCc1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2007.09.074 | |||
CHEMBL249136 | 94096 | 0 | None | 8 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 362 | 11 | 2 | 4 | 2.7 | CCCCCC(O)CCN1CCC(=O)N1CCc1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2007.09.074 | |||
46887177 | 8588 | 0 | None | -33 | 2 | Mouse | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 459 | 10 | 2 | 3 | 6.6 | Cc1cc(C)cc([C@@H](CC(C)C)NC(=O)c2cc(Oc3ccccc3)ccc2CCC(=O)O)c1 | 10.1016/j.bmc.2010.03.028 | |||
CHEMBL1094790 | 8588 | 0 | None | -33 | 2 | Mouse | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 459 | 10 | 2 | 3 | 6.6 | Cc1cc(C)cc([C@@H](CC(C)C)NC(=O)c2cc(Oc3ccccc3)ccc2CCC(=O)O)c1 | 10.1016/j.bmc.2010.03.028 | |||
23017297 | 8461 | 0 | None | -12589 | 3 | Mouse | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 525 | 11 | 1 | 6 | 4.3 | O=C(CCc1ccc(Cn2cccn2)cc1OCCc1ccccc1)NS(=O)(=O)c1ccc(F)c(F)c1 | 10.1016/j.bmcl.2010.02.034 | |||
CHEMBL1093820 | 8461 | 0 | None | -12589 | 3 | Mouse | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 525 | 11 | 1 | 6 | 4.3 | O=C(CCc1ccc(Cn2cccn2)cc1OCCc1ccccc1)NS(=O)(=O)c1ccc(F)c(F)c1 | 10.1016/j.bmcl.2010.02.034 | |||
21362867 | 107100 | 0 | None | -104 | 4 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 417 | 7 | 1 | 5 | 4.6 | CSc1cccc(-c2ccccc2CCC(=O)NS(=O)(=O)c2cccs2)c1 | 10.1016/s0960-894x(02)00518-8 | |||
CHEMBL315974 | 107100 | 0 | None | -104 | 4 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 417 | 7 | 1 | 5 | 4.6 | CSc1cccc(-c2ccccc2CCC(=O)NS(=O)(=O)c2cccs2)c1 | 10.1016/s0960-894x(02)00518-8 | |||
44444721 | 154404 | 0 | None | 77 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 508 | 9 | 2 | 4 | 3.0 | O=C(O)c1ccc(CCN2C(=O)CCN2CC[C@@H](O)Cc2cccc(I)c2)cc1 | 10.1016/j.bmcl.2007.09.074 | |||
CHEMBL398827 | 154404 | 0 | None | 77 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 508 | 9 | 2 | 4 | 3.0 | O=C(O)c1ccc(CCN2C(=O)CCN2CC[C@@H](O)Cc2cccc(I)c2)cc1 | 10.1016/j.bmcl.2007.09.074 | |||
15948789 | 97911 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 631 | 11 | 1 | 8 | 5.5 | COc1ccccc1CC(=O)NS(=O)(=O)Cc1ccc(N2Cc3c(c(OC(C)C)c4cccnc4c3OC(C)C)C2=O)c(C)c1 | 10.1016/j.bmcl.2008.01.103 | |||
CHEMBL272498 | 97911 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 631 | 11 | 1 | 8 | 5.5 | COc1ccccc1CC(=O)NS(=O)(=O)Cc1ccc(N2Cc3c(c(OC(C)C)c4cccnc4c3OC(C)C)C2=O)c(C)c1 | 10.1016/j.bmcl.2008.01.103 | |||
56944895 | 129215 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 465 | 8 | 2 | 5 | 5.3 | C[C@H](NC(=O)c1c(C(F)F)nn(C)c1Oc1cccc(C(F)F)c1)c1ccc(C(=O)O)cc1 | nan | |||
CHEMBL3670689 | 129215 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 465 | 8 | 2 | 5 | 5.3 | C[C@H](NC(=O)c1c(C(F)F)nn(C)c1Oc1cccc(C(F)F)c1)c1ccc(C(=O)O)cc1 | nan | |||
71452690 | 78623 | 0 | None | -41 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 400 | 9 | 1 | 4 | 5.1 | c1ccc(CCSCc2ccc(-c3ccccc3CCc3nnn[nH]3)cc2)cc1 | 10.1016/s0960-894x(02)00518-8 | |||
CHEMBL2112332 | 78623 | 0 | None | -41 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 400 | 9 | 1 | 4 | 5.1 | c1ccc(CCSCc2ccc(-c3ccccc3CCc3nnn[nH]3)cc2)cc1 | 10.1016/s0960-894x(02)00518-8 | |||
10273914 | 199670 | 0 | None | -20 | 3 | Mouse | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 424 | 9 | 1 | 3 | 6.1 | O=C(O)/C=C/c1ccc(COc2ccccc2)cc1OCCc1ccc2ccccc2c1 | 10.1016/j.bmc.2009.08.007 | |||
CHEMBL593041 | 199670 | 0 | None | -20 | 3 | Mouse | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 424 | 9 | 1 | 3 | 6.1 | O=C(O)/C=C/c1ccc(COc2ccccc2)cc1OCCc1ccc2ccccc2c1 | 10.1016/j.bmc.2009.08.007 | |||
44520989 | 199762 | 0 | None | -5 | 3 | Mouse | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 396 | 6 | 2 | 4 | 5.0 | Cc1c(C)c2c(c(C)c1O)CCC(C)(CCOc1ccccc1/C=C/C(=O)O)O2 | 10.1016/j.bmc.2009.08.007 | |||
CHEMBL593764 | 199762 | 0 | None | -5 | 3 | Mouse | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 396 | 6 | 2 | 4 | 5.0 | Cc1c(C)c2c(c(C)c1O)CCC(C)(CCOc1ccccc1/C=C/C(=O)O)O2 | 10.1016/j.bmc.2009.08.007 | |||
118517452 | 148209 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 458 | 9 | 2 | 4 | 5.2 | COc1ccc2cc(CC(O)/C=C/[C@H]3CCC(=O)[C@@H]3CCc3ccc(C(=O)O)cc3)ccc2c1 | nan | |||
CHEMBL3935958 | 148209 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 458 | 9 | 2 | 4 | 5.2 | COc1ccc2cc(CC(O)/C=C/[C@H]3CCC(=O)[C@@H]3CCc3ccc(C(=O)O)cc3)ccc2c1 | nan | |||
53319234 | 56877 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 535 | 7 | 3 | 5 | 5.1 | CNC(=O)c1sc2c(C)cc(C)cc2c1-c1ccc(CCNC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1 | 10.1016/j.bmcl.2010.11.118 | |||
CHEMBL1644009 | 56877 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 535 | 7 | 3 | 5 | 5.1 | CNC(=O)c1sc2c(C)cc(C)cc2c1-c1ccc(CCNC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1 | 10.1016/j.bmcl.2010.11.118 | |||
10229201 | 155574 | 0 | None | 87 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 508 | 9 | 2 | 4 | 3.0 | O=C(O)c1ccc(CCN2C(=O)CCN2CCC(O)Cc2cccc(I)c2)cc1 | 10.1016/j.bmcl.2007.09.074 | |||
CHEMBL404414 | 155574 | 0 | None | 87 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 508 | 9 | 2 | 4 | 3.0 | O=C(O)c1ccc(CCN2C(=O)CCN2CCC(O)Cc2cccc(I)c2)cc1 | 10.1016/j.bmcl.2007.09.074 | |||
44455158 | 97719 | 0 | None | 933 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 331 | 8 | 2 | 3 | 2.6 | CCC[C@H](O)/C=C/[C@H]1CCC(=O)N1CCc1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2007.11.020 | |||
CHEMBL271488 | 97719 | 0 | None | 933 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 331 | 8 | 2 | 3 | 2.6 | CCC[C@H](O)/C=C/[C@H]1CCC(=O)N1CCc1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2007.11.020 | |||
53323176 | 56869 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 381 | 5 | 1 | 3 | 4.9 | Cc1cc(C)c2sc(C(=O)N(C)C)c(-c3ccc(CCC(=O)O)cc3)c2c1 | 10.1016/j.bmcl.2010.11.118 | |||
CHEMBL1644001 | 56869 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 381 | 5 | 1 | 3 | 4.9 | Cc1cc(C)c2sc(C(=O)N(C)C)c(-c3ccc(CCC(=O)O)cc3)c2c1 | 10.1016/j.bmcl.2010.11.118 | |||
53323010 | 56879 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 575 | 7 | 2 | 5 | 6.0 | Cc1ccc(S(=O)(=O)NC(=O)NCCc2ccc(-c3c(C(=O)N4CCCC4)sc4c(C)cc(C)cc34)cc2)cc1 | 10.1016/j.bmcl.2010.11.118 | |||
CHEMBL1644010 | 56879 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 575 | 7 | 2 | 5 | 6.0 | Cc1ccc(S(=O)(=O)NC(=O)NCCc2ccc(-c3c(C(=O)N4CCCC4)sc4c(C)cc(C)cc34)cc2)cc1 | 10.1016/j.bmcl.2010.11.118 | |||
53323176 | 56869 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 381 | 5 | 1 | 3 | 4.9 | Cc1cc(C)c2sc(C(=O)N(C)C)c(-c3ccc(CCC(=O)O)cc3)c2c1 | 10.1016/j.bmcl.2010.11.118 | |||
CHEMBL1644001 | 56869 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 381 | 5 | 1 | 3 | 4.9 | Cc1cc(C)c2sc(C(=O)N(C)C)c(-c3ccc(CCC(=O)O)cc3)c2c1 | 10.1016/j.bmcl.2010.11.118 | |||
23017224 | 200232 | 0 | None | -794 | 2 | Mouse | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 495 | 11 | 2 | 3 | 7.0 | CC(C)CC(NC(=O)c1cc(COc2ccccc2)ccc1CCC(=O)O)c1cccc2ccccc12 | 10.1016/j.bmc.2009.11.023 | |||
CHEMBL596903 | 200232 | 0 | None | -794 | 2 | Mouse | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 495 | 11 | 2 | 3 | 7.0 | CC(C)CC(NC(=O)c1cc(COc2ccccc2)ccc1CCC(=O)O)c1cccc2ccccc12 | 10.1016/j.bmc.2009.11.023 | |||
44269486 | 166840 | 0 | None | 24 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 341 | 14 | 2 | 3 | 3.7 | CCCCCC(O)CC[C@H]1CCC(=O)N1CCCCCCC(=O)O | 10.1016/s0960-894x(03)00042-8 | |||
CHEMBL428524 | 166840 | 0 | None | 24 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 341 | 14 | 2 | 3 | 3.7 | CCCCCC(O)CC[C@H]1CCC(=O)N1CCCCCCC(=O)O | 10.1016/s0960-894x(03)00042-8 | |||
57390636 | 69354 | 0 | None | - | 1 | Mouse | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 455 | 12 | 2 | 5 | 4.2 | O=C(O)CCCSCCN1C(=O)OC[C@@H]1/C=C/[C@@H](O)Cc1cccc(-c2ccccc2)c1 | 10.1016/j.bmc.2011.12.009 | |||
CHEMBL1929536 | 69354 | 0 | None | - | 1 | Mouse | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 455 | 12 | 2 | 5 | 4.2 | O=C(O)CCCSCCN1C(=O)OC[C@@H]1/C=C/[C@@H](O)Cc1cccc(-c2ccccc2)c1 | 10.1016/j.bmc.2011.12.009 | |||
57893957 | 75161 | 0 | None | - | 1 | Mouse | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 484 | 14 | 2 | 6 | 3.7 | O=C(O)CCCSCCN1C(=O)CC[C@@H]1/C=C/[C@@H](O)Cc1cccc(OCc2ccncc2)c1 | 10.1016/j.bmc.2012.04.008 | |||
CHEMBL2036317 | 75161 | 0 | None | - | 1 | Mouse | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 484 | 14 | 2 | 6 | 3.7 | O=C(O)CCCSCCN1C(=O)CC[C@@H]1/C=C/[C@@H](O)Cc1cccc(OCc2ccncc2)c1 | 10.1016/j.bmc.2012.04.008 | |||
44304057 | 203257 | 0 | None | -8 | 4 | Mouse | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 390 | 13 | 3 | 6 | 2.6 | CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CSCCSCC(=O)O | 10.1016/s0960-894x(01)00364-x | |||
CHEMBL64598 | 203257 | 0 | None | -8 | 4 | Mouse | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 390 | 13 | 3 | 6 | 2.6 | CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CSCCSCC(=O)O | 10.1016/s0960-894x(01)00364-x | |||
11210487 | 64292 | 0 | None | -354 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 356 | 7 | 1 | 2 | 5.5 | O=C(O)/C=C/c1ccccc1/C=C/c1ccccc1OCc1ccccc1 | 10.1016/j.bmcl.2004.11.051 | |||
CHEMBL181035 | 64292 | 0 | None | -354 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 356 | 7 | 1 | 2 | 5.5 | O=C(O)/C=C/c1ccccc1/C=C/c1ccccc1OCc1ccccc1 | 10.1016/j.bmcl.2004.11.051 | |||
18444550 | 110717 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 368 | 7 | 1 | 5 | 4.5 | COc1ccc(-c2ccc(OCc3cc(C(=O)O)oc3C)cc2)cc1OC | 10.1016/j.bmcl.2014.02.068 | |||
CHEMBL3260440 | 110717 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 368 | 7 | 1 | 5 | 4.5 | COc1ccc(-c2ccc(OCc3cc(C(=O)O)oc3C)cc2)cc1OC | 10.1016/j.bmcl.2014.02.068 | |||
21362845 | 106901 | 0 | None | -257 | 4 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 556 | 7 | 1 | 5 | 7.3 | O=C(/C=C/c1ccccc1-c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1)NS(=O)(=O)c1cccs1 | 10.1016/s0960-894x(02)00518-8 | |||
CHEMBL314616 | 106901 | 0 | None | -257 | 4 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 556 | 7 | 1 | 5 | 7.3 | O=C(/C=C/c1ccccc1-c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1)NS(=O)(=O)c1cccs1 | 10.1016/s0960-894x(02)00518-8 | |||
134155748 | 151167 | 0 | None | -25 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 400 | 12 | 2 | 4 | 4.7 | CCCCCC(=O)c1ccc([C@H]2[C@H](O)CC(=O)[C@@H]2C/C=C\CCCC(=O)O)cc1 | nan | |||
CHEMBL3959653 | 151167 | 0 | None | -25 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 400 | 12 | 2 | 4 | 4.7 | CCCCCC(=O)c1ccc([C@H]2[C@H](O)CC(=O)[C@@H]2C/C=C\CCCC(=O)O)cc1 | nan | |||
44453376 | 95116 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 572 | 10 | 1 | 6 | 5.3 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CS(=O)(=O)NC(=O)Cc3ccccc3)cc1C)C2 | 10.1016/j.bmcl.2008.01.103 | |||
CHEMBL255527 | 95116 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 572 | 10 | 1 | 6 | 5.3 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CS(=O)(=O)NC(=O)Cc3ccccc3)cc1C)C2 | 10.1016/j.bmcl.2008.01.103 | |||
10457106 | 69355 | 0 | None | 58 | 2 | Mouse | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 463 | 12 | 2 | 6 | 3.5 | O=C(O)CCCSCCN1C(=O)OC[C@@H]1/C=C/[C@@H](O)Cc1cccc(OC(F)(F)F)c1 | 10.1016/j.bmc.2011.12.009 | |||
CHEMBL1929537 | 69355 | 0 | None | 58 | 2 | Mouse | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 463 | 12 | 2 | 6 | 3.5 | O=C(O)CCCSCCN1C(=O)OC[C@@H]1/C=C/[C@@H](O)Cc1cccc(OC(F)(F)F)c1 | 10.1016/j.bmc.2011.12.009 | |||
10452108 | 94006 | 0 | None | 25 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 375 | 7 | 1 | 2 | 4.6 | C/C(=C\C=C\[C@H]1CCC(=O)N1CCc1ccc(C(=O)O)cc1)c1ccccc1 | 10.1016/j.bmcl.2007.05.025 | |||
CHEMBL248679 | 94006 | 0 | None | 25 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 375 | 7 | 1 | 2 | 4.6 | C/C(=C\C=C\[C@H]1CCC(=O)N1CCc1ccc(C(=O)O)cc1)c1ccccc1 | 10.1016/j.bmcl.2007.05.025 | |||
53317905 | 56880 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 589 | 7 | 2 | 5 | 6.1 | Cc1ccc(S(=O)(=O)NC(=O)NCCc2ccc(-c3c(C(=O)N(C)C)sc4c(Cl)cc(Cl)cc34)cc2)cc1 | 10.1016/j.bmcl.2010.11.118 | |||
CHEMBL1644011 | 56880 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 589 | 7 | 2 | 5 | 6.1 | Cc1ccc(S(=O)(=O)NC(=O)NCCc2ccc(-c3c(C(=O)N(C)C)sc4c(Cl)cc(Cl)cc34)cc2)cc1 | 10.1016/j.bmcl.2010.11.118 | |||
53325841 | 56884 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 452 | 5 | 1 | 4 | 6.0 | Cc1cc(C)c2sc(C(=O)N(C)C)c(-c3ccc(CCNC(=O)OC(C)(C)C)cc3)c2c1 | 10.1016/j.bmcl.2010.11.118 | |||
CHEMBL1644015 | 56884 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 452 | 5 | 1 | 4 | 6.0 | Cc1cc(C)c2sc(C(=O)N(C)C)c(-c3ccc(CCNC(=O)OC(C)(C)C)cc3)c2c1 | 10.1016/j.bmcl.2010.11.118 | |||
44320388 | 206406 | 0 | None | -19 | 4 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 536 | 11 | 2 | 6 | 5.8 | Cc1cccc(OCCCOc2ccc(-c3ccccc3CNC(=O)NS(=O)(=O)c3cccs3)cc2)c1 | 10.1016/s0960-894x(02)00518-8 | |||
CHEMBL87797 | 206406 | 0 | None | -19 | 4 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 536 | 11 | 2 | 6 | 5.8 | Cc1cccc(OCCCOc2ccc(-c3ccccc3CNC(=O)NS(=O)(=O)c3cccs3)cc2)c1 | 10.1016/s0960-894x(02)00518-8 | |||
10271490 | 165891 | 0 | None | -223 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 386 | 9 | 1 | 2 | 5.8 | Cc1cccc(CCCc2ccccc2/C=C/C(=O)O)c1OCc1ccccc1 | 10.1016/j.bmcl.2004.11.051 | |||
CHEMBL424975 | 165891 | 0 | None | -223 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 386 | 9 | 1 | 2 | 5.8 | Cc1cccc(CCCc2ccccc2/C=C/C(=O)O)c1OCc1ccccc1 | 10.1016/j.bmcl.2004.11.051 | |||
44520992 | 199978 | 0 | None | -28 | 2 | Mouse | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 396 | 6 | 1 | 4 | 4.1 | O=C(O)C#Cc1ccc(Cn2cccn2)cc1OCCc1ccc2ccccc2c1 | 10.1016/j.bmc.2009.08.007 | |||
CHEMBL595159 | 199978 | 0 | None | -28 | 2 | Mouse | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 396 | 6 | 1 | 4 | 4.1 | O=C(O)C#Cc1ccc(Cn2cccn2)cc1OCCc1ccc2ccccc2c1 | 10.1016/j.bmc.2009.08.007 | |||
118517490 | 153153 | 0 | None | 125 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 414 | 8 | 2 | 3 | 4.4 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2ccc(F)c(F)c2)cc1 | nan | |||
CHEMBL3976710 | 153153 | 0 | None | 125 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 414 | 8 | 2 | 3 | 4.4 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2ccc(F)c(F)c2)cc1 | nan | |||
53316601 | 56887 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 526 | 8 | 1 | 4 | 6.3 | COc1ccccc1C1(C(=O)NCCc2ccc(-c3c(C(=O)N(C)C)sc4c(C)cc(C)cc34)cc2)CC1 | 10.1016/j.bmcl.2010.11.118 | |||
CHEMBL1644018 | 56887 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 526 | 8 | 1 | 4 | 6.3 | COc1ccccc1C1(C(=O)NCCc2ccc(-c3c(C(=O)N(C)C)sc4c(C)cc(C)cc34)cc2)CC1 | 10.1016/j.bmcl.2010.11.118 | |||
18444613 | 56271 | 21 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 492 | 8 | 1 | 7 | 4.7 | COc1ccc(-c2ccc(OCc3cc(C(=O)NS(=O)(=O)c4ccccc4C)oc3C)cc2)nc1 | 10.1016/j.bmcl.2014.02.068 | |||
CHEMBL1628698 | 56271 | 21 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 492 | 8 | 1 | 7 | 4.7 | COc1ccc(-c2ccc(OCc3cc(C(=O)NS(=O)(=O)c4ccccc4C)oc3C)cc2)nc1 | 10.1016/j.bmcl.2014.02.068 | |||
CHEMBL3260771 | 56271 | 21 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 492 | 8 | 1 | 7 | 4.7 | COc1ccc(-c2ccc(OCc3cc(C(=O)NS(=O)(=O)c4ccccc4C)oc3C)cc2)nc1 | 10.1016/j.bmcl.2014.02.068 | |||
18444627 | 110807 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 491 | 9 | 1 | 6 | 5.1 | COc1ccc(-c2ccc(OCc3cc(C(=O)NS(=O)(=O)Cc4ccccc4)oc3C)cc2)cc1 | 10.1016/j.bmcl.2014.02.068 | |||
CHEMBL3260758 | 110807 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 491 | 9 | 1 | 6 | 5.1 | COc1ccc(-c2ccc(OCc3cc(C(=O)NS(=O)(=O)Cc4ccccc4)oc3C)cc2)cc1 | 10.1016/j.bmcl.2014.02.068 | |||
118517485 | 142748 | 0 | None | 50 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 396 | 8 | 2 | 3 | 4.2 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2ccc(F)cc2)cc1 | nan | |||
CHEMBL3892492 | 142748 | 0 | None | 50 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 396 | 8 | 2 | 3 | 4.2 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2ccc(F)cc2)cc1 | nan | |||
118517490 | 153153 | 0 | None | 125 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 414 | 8 | 2 | 3 | 4.4 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2ccc(F)c(F)c2)cc1 | nan | |||
CHEMBL3976710 | 153153 | 0 | None | 125 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 414 | 8 | 2 | 3 | 4.4 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2ccc(F)c(F)c2)cc1 | nan | |||
138 | 3079 | 88 | None | -3 | 18 | Mouse | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | 10.1016/s0960-894x(01)00365-1 | |||
149351 | 3079 | 88 | None | -3 | 18 | Mouse | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | 10.1016/s0960-894x(01)00365-1 | |||
1882 | 3079 | 88 | None | -3 | 18 | Mouse | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | 10.1016/s0960-894x(01)00365-1 | |||
5280723 | 3079 | 88 | None | -3 | 18 | Mouse | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | 10.1016/s0960-894x(01)00365-1 | |||
CHEMBL495 | 3079 | 88 | None | -3 | 18 | Mouse | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | 10.1016/s0960-894x(01)00365-1 | |||
DB00770 | 3079 | 88 | None | -3 | 18 | Mouse | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | 10.1016/s0960-894x(01)00365-1 | |||
24953286 | 201382 | 0 | None | 151 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 427 | 6 | 2 | 3 | 5.8 | Cc1sc(C)c(C(=O)N[C@@H](C)c2ccc(C(=O)O)cc2)c1Cc1cccc(Cl)c1 | nan | |||
CHEMBL604546 | 201382 | 0 | None | 151 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 427 | 6 | 2 | 3 | 5.8 | Cc1sc(C)c(C(=O)N[C@@H](C)c2ccc(C(=O)O)cc2)c1Cc1cccc(Cl)c1 | nan | |||
1883 | 3080 | 75 | None | -1 | 24 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1021/jm401431x | |||
1916 | 3080 | 75 | None | -1 | 24 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1021/jm401431x | |||
5280360 | 3080 | 75 | None | -1 | 24 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1021/jm401431x | |||
913 | 3080 | 75 | None | -1 | 24 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1021/jm401431x | |||
CHEMBL548 | 3080 | 75 | None | -1 | 24 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1021/jm401431x | |||
DB00917 | 3080 | 75 | None | -1 | 24 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1021/jm401431x | |||
5283086 | 203308 | 24 | None | -21 | 5 | Mouse | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O | 10.1016/s0960-894x(01)00359-6 | |||
CHEMBL64804 | 203308 | 24 | None | -21 | 5 | Mouse | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O | 10.1016/s0960-894x(01)00359-6 | |||
10322469 | 101509 | 15 | None | 12302 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 469 | 11 | 2 | 3 | 5.9 | Cc1cc(Cl)ccc1-c1cccc(C(O)/C=C/[C@H]2CCC(=O)N2CCCCCCC(=O)O)c1 | 10.1016/j.bmcl.2004.01.063 | |||
CHEMBL298026 | 101509 | 15 | None | 12302 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 469 | 11 | 2 | 3 | 5.9 | Cc1cc(Cl)ccc1-c1cccc(C(O)/C=C/[C@H]2CCC(=O)N2CCCCCCC(=O)O)c1 | 10.1016/j.bmcl.2004.01.063 | |||
1883 | 3080 | 75 | None | -3 | 24 | Mouse | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.bmcl.2011.10.109 | |||
1916 | 3080 | 75 | None | -3 | 24 | Mouse | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.bmcl.2011.10.109 | |||
5280360 | 3080 | 75 | None | -3 | 24 | Mouse | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.bmcl.2011.10.109 | |||
913 | 3080 | 75 | None | -3 | 24 | Mouse | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.bmcl.2011.10.109 | |||
CHEMBL548 | 3080 | 75 | None | -3 | 24 | Mouse | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.bmcl.2011.10.109 | |||
DB00917 | 3080 | 75 | None | -3 | 24 | Mouse | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.bmcl.2011.10.109 | |||
1883 | 3080 | 75 | None | -3 | 24 | Mouse | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.bmc.2012.02.018 | |||
1916 | 3080 | 75 | None | -3 | 24 | Mouse | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.bmc.2012.02.018 | |||
5280360 | 3080 | 75 | None | -3 | 24 | Mouse | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.bmc.2012.02.018 | |||
913 | 3080 | 75 | None | -3 | 24 | Mouse | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.bmc.2012.02.018 | |||
CHEMBL548 | 3080 | 75 | None | -3 | 24 | Mouse | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.bmc.2012.02.018 | |||
DB00917 | 3080 | 75 | None | -3 | 24 | Mouse | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1016/j.bmc.2012.02.018 | |||
24953286 | 201382 | 0 | None | 151 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 427 | 6 | 2 | 3 | 5.8 | Cc1sc(C)c(C(=O)N[C@@H](C)c2ccc(C(=O)O)cc2)c1Cc1cccc(Cl)c1 | 10.1021/jm901771h | |||
CHEMBL604546 | 201382 | 0 | None | 151 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 427 | 6 | 2 | 3 | 5.8 | Cc1sc(C)c(C(=O)N[C@@H](C)c2ccc(C(=O)O)cc2)c1Cc1cccc(Cl)c1 | 10.1021/jm901771h | |||
23660675 | 57101 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 425 | 6 | 2 | 4 | 4.3 | C[C@H](NC(=O)c1cccc2c1N(Cc1ccc(C#N)cc1)CC2)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2010.10.106 | |||
CHEMBL1645140 | 57101 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 425 | 6 | 2 | 4 | 4.3 | C[C@H](NC(=O)c1cccc2c1N(Cc1ccc(C#N)cc1)CC2)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2010.10.106 | |||
9846782 | 100903 | 7 | None | 389 | 3 | Mouse | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 454 | 13 | 3 | 7 | 2.6 | COCc1cccc(C[C@H](O)/C=C/[C@H]2[C@H](O)CC(=O)[C@@H]2SCCCSCC(=O)O)c1 | 10.1016/s0960-894x(01)00364-x | |||
CHEMBL293856 | 100903 | 7 | None | 389 | 3 | Mouse | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 454 | 13 | 3 | 7 | 2.6 | COCc1cccc(C[C@H](O)/C=C/[C@H]2[C@H](O)CC(=O)[C@@H]2SCCCSCC(=O)O)c1 | 10.1016/s0960-894x(01)00364-x | |||
44304055 | 102721 | 0 | None | 1 | 4 | Mouse | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 390 | 13 | 3 | 6 | 2.7 | CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1SCCSCCC(=O)O | 10.1016/s0960-894x(01)00364-x | |||
CHEMBL304887 | 102721 | 0 | None | 1 | 4 | Mouse | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 390 | 13 | 3 | 6 | 2.7 | CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1SCCSCCC(=O)O | 10.1016/s0960-894x(01)00364-x | |||
138 | 3079 | 88 | None | -3 | 18 | Mouse | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | 10.1016/s0960-894x(01)00365-1 | |||
149351 | 3079 | 88 | None | -3 | 18 | Mouse | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | 10.1016/s0960-894x(01)00365-1 | |||
1882 | 3079 | 88 | None | -3 | 18 | Mouse | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | 10.1016/s0960-894x(01)00365-1 | |||
5280723 | 3079 | 88 | None | -3 | 18 | Mouse | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | 10.1016/s0960-894x(01)00365-1 | |||
CHEMBL495 | 3079 | 88 | None | -3 | 18 | Mouse | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | 10.1016/s0960-894x(01)00365-1 | |||
DB00770 | 3079 | 88 | None | -3 | 18 | Mouse | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | 10.1016/s0960-894x(01)00365-1 | |||
15948674 | 95210 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 573 | 10 | 1 | 7 | 4.7 | CCOc1c2c(c(OCC)c3ncccc13)C(=O)N(c1ccc(CS(=O)(=O)NC(=O)Cc3ccccc3)cc1C)C2 | 10.1016/j.bmcl.2008.01.103 | |||
CHEMBL256005 | 95210 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 573 | 10 | 1 | 7 | 4.7 | CCOc1c2c(c(OCC)c3ncccc13)C(=O)N(c1ccc(CS(=O)(=O)NC(=O)Cc3ccccc3)cc1C)C2 | 10.1016/j.bmcl.2008.01.103 | |||
138 | 3079 | 88 | None | -3 | 18 | Mouse | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | 10.1016/s0960-894x(01)00359-6 | |||
149351 | 3079 | 88 | None | -3 | 18 | Mouse | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | 10.1016/s0960-894x(01)00359-6 | |||
1882 | 3079 | 88 | None | -3 | 18 | Mouse | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | 10.1016/s0960-894x(01)00359-6 | |||
5280723 | 3079 | 88 | None | -3 | 18 | Mouse | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | 10.1016/s0960-894x(01)00359-6 | |||
CHEMBL495 | 3079 | 88 | None | -3 | 18 | Mouse | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | 10.1016/s0960-894x(01)00359-6 | |||
DB00770 | 3079 | 88 | None | -3 | 18 | Mouse | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | 10.1016/s0960-894x(01)00359-6 | |||
138 | 3079 | 88 | None | -3 | 18 | Mouse | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | 10.1016/s0960-894x(01)00364-x | |||
149351 | 3079 | 88 | None | -3 | 18 | Mouse | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | 10.1016/s0960-894x(01)00364-x | |||
1882 | 3079 | 88 | None | -3 | 18 | Mouse | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | 10.1016/s0960-894x(01)00364-x | |||
5280723 | 3079 | 88 | None | -3 | 18 | Mouse | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | 10.1016/s0960-894x(01)00364-x | |||
CHEMBL495 | 3079 | 88 | None | -3 | 18 | Mouse | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | 10.1016/s0960-894x(01)00364-x | |||
DB00770 | 3079 | 88 | None | -3 | 18 | Mouse | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | 10.1016/s0960-894x(01)00364-x | |||
44304403 | 169095 | 0 | None | 16 | 4 | Mouse | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 420 | 12 | 3 | 4 | 3.8 | COCc1cccc(C[C@H](O)/C=C/[C@H]2[C@H](O)C[C@@H](F)[C@@H]2C/C=C/CCCC(=O)O)c1 | 10.1016/s0960-894x(01)00365-1 | |||
CHEMBL439934 | 169095 | 0 | None | 16 | 4 | Mouse | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 420 | 12 | 3 | 4 | 3.8 | COCc1cccc(C[C@H](O)/C=C/[C@H]2[C@H](O)C[C@@H](F)[C@@H]2C/C=C/CCCC(=O)O)c1 | 10.1016/s0960-894x(01)00365-1 | |||
24953628 | 200601 | 0 | None | 63 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 427 | 6 | 2 | 3 | 5.8 | Cc1sc(C)c(C(=O)N[C@@H](C)c2ccc(C(=O)O)cc2)c1Cc1ccc(Cl)cc1 | nan | |||
CHEMBL599262 | 200601 | 0 | None | 63 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 427 | 6 | 2 | 3 | 5.8 | Cc1sc(C)c(C(=O)N[C@@H](C)c2ccc(C(=O)O)cc2)c1Cc1ccc(Cl)cc1 | nan | |||
53316600 | 56885 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 500 | 8 | 1 | 4 | 5.8 | COc1ccccc1CC(=O)NCCc1ccc(-c2c(C(=O)N(C)C)sc3c(C)cc(C)cc23)cc1 | 10.1016/j.bmcl.2010.11.118 | |||
CHEMBL1644016 | 56885 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 500 | 8 | 1 | 4 | 5.8 | COc1ccccc1CC(=O)NCCc1ccc(-c2c(C(=O)N(C)C)sc3c(C)cc(C)cc23)cc1 | 10.1016/j.bmcl.2010.11.118 | |||
118175009 | 136683 | 0 | None | 812 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 429 | 4 | 2 | 2 | 6.7 | Cc1ccc(C(=O)O)c(C)c1NC(=O)c1cc(-c2cccc(Cl)c2)cc2ccccc12 | 10.1016/j.bmcl.2015.11.023 | |||
CHEMBL3740325 | 136683 | 0 | None | 812 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 429 | 4 | 2 | 2 | 6.7 | Cc1ccc(C(=O)O)c(C)c1NC(=O)c1cc(-c2cccc(Cl)c2)cc2ccccc12 | 10.1016/j.bmcl.2015.11.023 | |||
10414412 | 75164 | 0 | None | 6 | 3 | Mouse | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 522 | 10 | 2 | 6 | 5.4 | Cc1ccc(-c2cccc(C[C@H](O)/C=C/[C@H]3CCC(=O)N3CCSc3nc(C(=O)O)cs3)c2)c(C)c1 | 10.1016/j.bmc.2012.04.008 | |||
CHEMBL2036320 | 75164 | 0 | None | 6 | 3 | Mouse | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 522 | 10 | 2 | 6 | 5.4 | Cc1ccc(-c2cccc(C[C@H](O)/C=C/[C@H]3CCC(=O)N3CCSc3nc(C(=O)O)cs3)c2)c(C)c1 | 10.1016/j.bmc.2012.04.008 | |||
118191077 | 136798 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 425 | 5 | 3 | 3 | 5.6 | Cc1cc(C(=O)O)cc(C)c1NC(=O)c1cc(-c2cccc(CO)c2)cc2ccccc12 | 10.1016/j.bmcl.2015.11.023 | |||
CHEMBL3741430 | 136798 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 425 | 5 | 3 | 3 | 5.6 | Cc1cc(C(=O)O)cc(C)c1NC(=O)c1cc(-c2cccc(CO)c2)cc2ccccc12 | 10.1016/j.bmcl.2015.11.023 | |||
15948325 | 2524 | 45 | None | 512 | 6 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 603 | 11 | 1 | 8 | 4.7 | CCOc1c2CN(C(=O)c2c(c2c1nccc2)OCC)c1ccc(cc1C)CS(=O)(=O)NC(=O)Cc1ccccc1OC | 10.1016/j.bmcl.2008.01.103 | |||
5856 | 2524 | 45 | None | 512 | 6 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 603 | 11 | 1 | 8 | 4.7 | CCOc1c2CN(C(=O)c2c(c2c1nccc2)OCC)c1ccc(cc1C)CS(=O)(=O)NC(=O)Cc1ccccc1OC | 10.1016/j.bmcl.2008.01.103 | |||
CHEMBL402162 | 2524 | 45 | None | 512 | 6 | Human | 8.4 | pKi | = | 8.4 | 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 | |||
44269523 | 98359 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 403 | 13 | 2 | 4 | 3.3 | COCc1cccc(CC(O)/C=C/[C@H]2CCC(=O)N2CCCCCCC(=O)O)c1 | 10.1016/s0960-894x(03)00042-8 | |||
CHEMBL275245 | 98359 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 403 | 13 | 2 | 4 | 3.3 | COCc1cccc(CC(O)/C=C/[C@H]2CCC(=O)N2CCCCCCC(=O)O)c1 | 10.1016/s0960-894x(03)00042-8 | |||
58824188 | 110806 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 483 | 8 | 1 | 7 | 5.0 | COc1ccc(-c2ccc(OCc3cc(C(=O)NS(=O)(=O)c4cccs4)oc3C)cc2)cc1 | 10.1016/j.bmcl.2014.02.068 | |||
CHEMBL3260757 | 110806 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 483 | 8 | 1 | 7 | 5.0 | COc1ccc(-c2ccc(OCc3cc(C(=O)NS(=O)(=O)c4cccs4)oc3C)cc2)cc1 | 10.1016/j.bmcl.2014.02.068 | |||
53323178 | 56876 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 521 | 7 | 3 | 5 | 4.8 | Cc1ccc(S(=O)(=O)NC(=O)NCCc2ccc(-c3c(C(N)=O)sc4c(C)cc(C)cc34)cc2)cc1 | 10.1016/j.bmcl.2010.11.118 | |||
CHEMBL1644008 | 56876 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 521 | 7 | 3 | 5 | 4.8 | Cc1ccc(S(=O)(=O)NC(=O)NCCc2ccc(-c3c(C(N)=O)sc4c(C)cc(C)cc34)cc2)cc1 | 10.1016/j.bmcl.2010.11.118 | |||
9885106 | 84771 | 0 | None | -1 | 6 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 357 | 13 | 2 | 4 | 3.1 | CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)N1CCSCCCC(=O)O | 10.1021/jm049290a | |||
CHEMBL223151 | 84771 | 0 | None | -1 | 6 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 357 | 13 | 2 | 4 | 3.1 | CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)N1CCSCCCC(=O)O | 10.1021/jm049290a | |||
24953626 | 132117 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 447 | 6 | 2 | 3 | 5.9 | Cc1sc(C)c(C(=O)NCc2ccc(C(=O)O)c(Cl)c2)c1Cc1cccc(Cl)c1 | nan | |||
CHEMBL3695944 | 132117 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 447 | 6 | 2 | 3 | 5.9 | Cc1sc(C)c(C(=O)NCc2ccc(C(=O)O)c(Cl)c2)c1Cc1cccc(Cl)c1 | nan | |||
23661017 | 57106 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 443 | 7 | 3 | 4 | 3.5 | C[C@H](NC(=O)c1cccc2c1N(Cc1ccc(C(N)=O)cc1)CC2)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2010.10.106 | |||
CHEMBL1645145 | 57106 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 443 | 7 | 3 | 4 | 3.5 | C[C@H](NC(=O)c1cccc2c1N(Cc1ccc(C(N)=O)cc1)CC2)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2010.10.106 | |||
53325181 | 57111 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 443 | 7 | 3 | 4 | 3.5 | C[C@H](NC(=O)c1cccc2c1N(Cc1cccc(C(N)=O)c1)CC2)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2010.10.106 | |||
CHEMBL1645150 | 57111 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 443 | 7 | 3 | 4 | 3.5 | C[C@H](NC(=O)c1cccc2c1N(Cc1cccc(C(N)=O)c1)CC2)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2010.10.106 | |||
11743212 | 17162 | 0 | None | -100 | 7 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 426 | 7 | 1 | 3 | 6.8 | O=C(O)C1CC1c1ccccc1-c1csc(-c2ccccc2OCc2ccccc2)c1 | 10.1016/s0960-894x(03)00794-7 | |||
CHEMBL125588 | 17162 | 0 | None | -100 | 7 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 426 | 7 | 1 | 3 | 6.8 | O=C(O)C1CC1c1ccccc1-c1csc(-c2ccccc2OCc2ccccc2)c1 | 10.1016/s0960-894x(03)00794-7 | |||
10413147 | 9078 | 0 | None | -1318 | 3 | Mouse | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 486 | 10 | 3 | 3 | 7.2 | Cc1cc(C)cc(Nc2ccc(CCC(=O)O)c(C(=O)N[C@H](CC(C)C)c3cc(C)cc(C)c3)c2)c1 | 10.1016/j.bmc.2010.03.028 | |||
CHEMBL1099047 | 9078 | 0 | None | -1318 | 3 | Mouse | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 486 | 10 | 3 | 3 | 7.2 | Cc1cc(C)cc(Nc2ccc(CCC(=O)O)c(C(=O)N[C@H](CC(C)C)c3cc(C)cc(C)c3)c2)c1 | 10.1016/j.bmc.2010.03.028 | |||
15907747 | 207021 | 0 | None | -60 | 4 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 684 | 8 | 1 | 5 | 7.2 | CO[C@@](C(=O)NS(=O)(=O)c1ccccc1-c1ccc(CN2C(=O)c3ccccc3CCc3ccccc32)cc1)(c1ccccc1)C(F)(F)F | 10.1016/s0960-894x(99)00465-5 | |||
CHEMBL91537 | 207021 | 0 | None | -60 | 4 | Human | 5.5 | pKi | = | 5.5 | 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 | |||
11165749 | 165957 | 0 | None | -10 | 3 | Mouse | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 409 | 9 | 1 | 5 | 4.8 | CCCCOc1ccc(C(=O)n2c(C)c(CCC(=O)O)c3cc(OC)ccc32)cc1 | 10.1016/j.bmcl.2004.06.006 | |||
CHEMBL425167 | 165957 | 0 | None | -10 | 3 | Mouse | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 409 | 9 | 1 | 5 | 4.8 | CCCCOc1ccc(C(=O)n2c(C)c(CCC(=O)O)c3cc(OC)ccc32)cc1 | 10.1016/j.bmcl.2004.06.006 | |||
10185382 | 64413 | 0 | None | -301 | 5 | Mouse | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 500 | 7 | 1 | 7 | 4.6 | COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c1ccc(OC[C@@H]2CN(C)c3ccccc3O2)cc1 | 10.1016/j.bmc.2011.06.014 | |||
CHEMBL1813119 | 64413 | 0 | None | -301 | 5 | Mouse | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 500 | 7 | 1 | 7 | 4.6 | COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c1ccc(OC[C@@H]2CN(C)c3ccccc3O2)cc1 | 10.1016/j.bmc.2011.06.014 | |||
57400087 | 71300 | 0 | None | 2 | 2 | Mouse | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 413 | 8 | 2 | 3 | 4.0 | O=C(O)CCc1cccc(N2C(=O)CC[C@@H]2/C=C/[C@@H](O)Cc2cccc(Cl)c2)c1 | 10.1016/j.bmc.2012.02.018 | |||
CHEMBL1957431 | 71300 | 0 | None | 2 | 2 | Mouse | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 413 | 8 | 2 | 3 | 4.0 | O=C(O)CCc1cccc(N2C(=O)CC[C@@H]2/C=C/[C@@H](O)Cc2cccc(Cl)c2)c1 | 10.1016/j.bmc.2012.02.018 | |||
18444585 | 110706 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 336 | 6 | 1 | 3 | 5.3 | CC(C)c1oc(C(=O)O)cc1COc1ccc(-c2ccccc2)cc1 | 10.1016/j.bmcl.2014.02.068 | |||
CHEMBL3260428 | 110706 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 336 | 6 | 1 | 3 | 5.3 | CC(C)c1oc(C(=O)O)cc1COc1ccc(-c2ccccc2)cc1 | 10.1016/j.bmcl.2014.02.068 | |||
18444572 | 110713 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 338 | 6 | 2 | 4 | 4.0 | Cc1oc(C(=O)O)cc1COc1ccc(-c2ccc(CO)cc2)cc1 | 10.1016/j.bmcl.2014.02.068 | |||
CHEMBL3260436 | 110713 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 338 | 6 | 2 | 4 | 4.0 | Cc1oc(C(=O)O)cc1COc1ccc(-c2ccc(CO)cc2)cc1 | 10.1016/j.bmcl.2014.02.068 | |||
46887126 | 8699 | 0 | None | -2137 | 2 | Mouse | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 509 | 11 | 2 | 3 | 6.7 | Cc1cc(C)cc([C@H](CC(C)C)NC(=O)c2cc(COc3cc(F)ccc3F)ccc2CCC(=O)O)c1 | 10.1016/j.bmc.2010.03.028 | |||
CHEMBL1095768 | 8699 | 0 | None | -2137 | 2 | Mouse | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 509 | 11 | 2 | 3 | 6.7 | Cc1cc(C)cc([C@H](CC(C)C)NC(=O)c2cc(COc3cc(F)ccc3F)ccc2CCC(=O)O)c1 | 10.1016/j.bmc.2010.03.028 | |||
24953281 | 124464 | 1 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 538 | 7 | 2 | 5 | 5.2 | Cc1sc(C)c(C(=O)N[C@@H](C)c2ccc(C(=O)NS(C)(=O)=O)cc2)c1Cc1ccc(C(F)(F)F)cc1 | nan | |||
CHEMBL3639948 | 124464 | 1 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 538 | 7 | 2 | 5 | 5.2 | Cc1sc(C)c(C(=O)N[C@@H](C)c2ccc(C(=O)NS(C)(=O)=O)cc2)c1Cc1ccc(C(F)(F)F)cc1 | nan | |||
15948329 | 155405 | 1 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 573 | 10 | 1 | 7 | 4.7 | CCOc1c2c(c(OCC)c3ncccc13)CN(c1ccc(CS(=O)(=O)NC(=O)Cc3ccccc3)cc1C)C2=O | 10.1016/j.bmcl.2008.01.103 | |||
CHEMBL403630 | 155405 | 1 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 573 | 10 | 1 | 7 | 4.7 | CCOc1c2c(c(OCC)c3ncccc13)CN(c1ccc(CS(=O)(=O)NC(=O)Cc3ccccc3)cc1C)C2=O | 10.1016/j.bmcl.2008.01.103 | |||
145989275 | 165232 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 420 | 7 | 1 | 6 | 3.5 | CCOc1c2c(c(OCC)c3ncccc13)C(=O)N(c1ccc(CC(=O)O)cc1)C2=O | 10.1016/j.bmcl.2018.03.091 | |||
CHEMBL4229200 | 165232 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 420 | 7 | 1 | 6 | 3.5 | CCOc1c2c(c(OCC)c3ncccc13)C(=O)N(c1ccc(CC(=O)O)cc1)C2=O | 10.1016/j.bmcl.2018.03.091 | |||
21974374 | 127245 | 0 | None | -61 | 5 | Mouse | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 455 | 6 | 1 | 5 | 5.0 | Cc1cc2c(CC(=O)O)cccc2n1C(=O)c1ccc(OCC2CCc3ccccc3O2)cc1 | 10.1016/j.bmcl.2004.07.039 | |||
CHEMBL365829 | 127245 | 0 | None | -61 | 5 | Mouse | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 455 | 6 | 1 | 5 | 5.0 | Cc1cc2c(CC(=O)O)cccc2n1C(=O)c1ccc(OCC2CCc3ccccc3O2)cc1 | 10.1016/j.bmcl.2004.07.039 | |||
52950151 | 16535 | 0 | None | -4 | 4 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 768 | 16 | 2 | 4 | 11.9 | Cc1cccc(/C=C/Cc2cccc(/C=C/C(=O)O)c2)c1OCc1ccccc1.Cc1cccc(C/C=C/c2cccc(/C=C/C(=O)O)c2)c1OCc1ccccc1 | 10.1016/j.bmcl.2004.11.051 | |||
CHEMBL1237299 | 16535 | 0 | None | -4 | 4 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 768 | 16 | 2 | 4 | 11.9 | Cc1cccc(/C=C/Cc2cccc(/C=C/C(=O)O)c2)c1OCc1ccccc1.Cc1cccc(C/C=C/c2cccc(/C=C/C(=O)O)c2)c1OCc1ccccc1 | 10.1016/j.bmcl.2004.11.051 | |||
71462285 | 81878 | 0 | None | -177 | 4 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 478 | 10 | 1 | 5 | 6.0 | COc1cc(C/C=C/c2ccccc2/C=C/C(=O)O)ccc1OCCn1cc2ccccc2c1C#N | 10.1021/ml300191g | |||
CHEMBL2164608 | 81878 | 0 | None | -177 | 4 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 478 | 10 | 1 | 5 | 6.0 | COc1cc(C/C=C/c2ccccc2/C=C/C(=O)O)ccc1OCCn1cc2ccccc2c1C#N | 10.1021/ml300191g | |||
9867899 | 203122 | 0 | None | 47 | 3 | Mouse | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 440 | 13 | 3 | 5 | 3.6 | COCc1cccc(C[C@H](O)/C=C/[C@H]2[C@H](O)C[C@@H](F)[C@@H]2CCSCCCC(=O)O)c1 | 10.1016/s0960-894x(01)00365-1 | |||
CHEMBL64072 | 203122 | 0 | None | 47 | 3 | Mouse | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 440 | 13 | 3 | 5 | 3.6 | COCc1cccc(C[C@H](O)/C=C/[C@H]2[C@H](O)C[C@@H](F)[C@@H]2CCSCCCC(=O)O)c1 | 10.1016/s0960-894x(01)00365-1 | |||
44290494 | 100273 | 0 | None | 1584 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 437 | 12 | 2 | 4 | 5.1 | O=C(O)CCCCCCN1C(=O)CC[C@@H]1/C=C/C(O)c1cccc(Oc2ccccc2)c1 | 10.1016/j.bmcl.2004.01.063 | |||
CHEMBL288978 | 100273 | 0 | None | 1584 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 437 | 12 | 2 | 4 | 5.1 | O=C(O)CCCCCCN1C(=O)CC[C@@H]1/C=C/C(O)c1cccc(Oc2ccccc2)c1 | 10.1016/j.bmcl.2004.01.063 | |||
44304011 | 202806 | 0 | None | 34 | 3 | Mouse | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 440 | 12 | 3 | 7 | 2.4 | COc1ccccc1C[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1SCCCSCC(=O)O | 10.1016/s0960-894x(01)00364-x | |||
CHEMBL62305 | 202806 | 0 | None | 34 | 3 | Mouse | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 440 | 12 | 3 | 7 | 2.4 | COc1ccccc1C[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1SCCCSCC(=O)O | 10.1016/s0960-894x(01)00364-x | |||
44444715 | 94196 | 0 | None | 25 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 450 | 12 | 2 | 4 | 3.7 | O=C(O)c1ccc(CCN2C(=O)CCN2CCC(O)Cc2cccc(CCC3CC3)c2)cc1 | 10.1016/j.bmcl.2007.09.074 | |||
CHEMBL249745 | 94196 | 0 | None | 25 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 450 | 12 | 2 | 4 | 3.7 | O=C(O)c1ccc(CCN2C(=O)CCN2CCC(O)Cc2cccc(CCC3CC3)c2)cc1 | 10.1016/j.bmcl.2007.09.074 | |||
15948439 | 155294 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 591 | 10 | 1 | 7 | 4.8 | CCOc1c2c(c(OCC)c3ncccc13)CN(c1ccc(CS(=O)(=O)NC(=O)Cc3ccccc3F)cc1C)C2=O | 10.1016/j.bmcl.2008.01.103 | |||
CHEMBL402960 | 155294 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 591 | 10 | 1 | 7 | 4.8 | CCOc1c2c(c(OCC)c3ncccc13)CN(c1ccc(CS(=O)(=O)NC(=O)Cc3ccccc3F)cc1C)C2=O | 10.1016/j.bmcl.2008.01.103 | |||
23017216 | 199157 | 0 | None | -309 | 4 | Mouse | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 439 | 9 | 2 | 3 | 5.4 | O=C(O)CCc1ccc(COc2ccccc2)cc1C(=O)NCc1cccc2ccccc12 | 10.1016/j.bmc.2009.11.023 | |||
CHEMBL589411 | 199157 | 0 | None | -309 | 4 | Mouse | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 439 | 9 | 2 | 3 | 5.4 | O=C(O)CCc1ccc(COc2ccccc2)cc1C(=O)NCc1cccc2ccccc12 | 10.1016/j.bmc.2009.11.023 | |||
44269516 | 43631 | 30 | None | 57 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 341 | 14 | 2 | 3 | 3.7 | CCCCCC(O)CCC1CCC(=O)N1CCCCCCC(=O)O | 10.1016/s0960-894x(03)00042-8 | |||
CHEMBL15096 | 43631 | 30 | None | 57 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 341 | 14 | 2 | 3 | 3.7 | CCCCCC(O)CCC1CCC(=O)N1CCCCCCC(=O)O | 10.1016/s0960-894x(03)00042-8 | |||
57403799 | 69467 | 0 | None | 6 | 2 | Mouse | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 398 | 9 | 2 | 5 | 2.8 | Cc1cccc(C[C@H](O)/C=C/[C@H]2CCC(=O)N2CCCc2nc(C(=O)O)co2)c1 | 10.1016/j.bmcl.2011.10.109 | |||
CHEMBL1933720 | 69467 | 0 | None | 6 | 2 | Mouse | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 398 | 9 | 2 | 5 | 2.8 | Cc1cccc(C[C@H](O)/C=C/[C@H]2CCC(=O)N2CCCc2nc(C(=O)O)co2)c1 | 10.1016/j.bmcl.2011.10.109 | |||
57403799 | 69467 | 0 | None | 6 | 2 | Mouse | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 398 | 9 | 2 | 5 | 2.8 | Cc1cccc(C[C@H](O)/C=C/[C@H]2CCC(=O)N2CCCc2nc(C(=O)O)co2)c1 | 10.1016/j.bmc.2012.02.018 | |||
CHEMBL1933720 | 69467 | 0 | None | 6 | 2 | Mouse | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 398 | 9 | 2 | 5 | 2.8 | Cc1cccc(C[C@H](O)/C=C/[C@H]2CCC(=O)N2CCCc2nc(C(=O)O)co2)c1 | 10.1016/j.bmc.2012.02.018 | |||
11957776 | 97511 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 641 | 10 | 1 | 7 | 5.7 | CCOc1c2c(c(OCC)c3ncccc13)CN(c1ccc(CS(=O)(=O)NC(=O)Cc3ccccc3C(F)(F)F)cc1C)C2=O | 10.1016/j.bmcl.2008.01.103 | |||
CHEMBL270397 | 97511 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 641 | 10 | 1 | 7 | 5.7 | CCOc1c2c(c(OCC)c3ncccc13)CN(c1ccc(CS(=O)(=O)NC(=O)Cc3ccccc3C(F)(F)F)cc1C)C2=O | 10.1016/j.bmcl.2008.01.103 | |||
21974362 | 122042 | 0 | None | -19 | 4 | Mouse | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 455 | 6 | 1 | 5 | 4.9 | Cc1cc2c(CC(=O)O)cccc2n1C(=O)c1ccc(OCC2COc3ccccc3C2)cc1 | 10.1016/j.bmcl.2004.07.039 | |||
CHEMBL359564 | 122042 | 0 | None | -19 | 4 | Mouse | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 455 | 6 | 1 | 5 | 4.9 | Cc1cc2c(CC(=O)O)cccc2n1C(=O)c1ccc(OCC2COc3ccccc3C2)cc1 | 10.1016/j.bmcl.2004.07.039 | |||
44269543 | 37168 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 351 | 10 | 2 | 3 | 3.5 | O=C(O)CCCCCCN1C(=O)CC[C@@H]1/C=C/C(O)C1CCCCC1 | 10.1016/s0960-894x(03)00042-8 | |||
CHEMBL14530 | 37168 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 351 | 10 | 2 | 3 | 3.5 | O=C(O)CCCCCCN1C(=O)CC[C@@H]1/C=C/C(O)C1CCCCC1 | 10.1016/s0960-894x(03)00042-8 | |||
23017255 | 8044 | 0 | None | -28840 | 3 | Mouse | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 554 | 12 | 1 | 7 | 4.2 | CN(CCOc1cc(Cn2cccn2)ccc1CCC(=O)NS(=O)(=O)c1ccc(F)c(F)c1)c1ccccc1 | 10.1016/j.bmcl.2010.02.034 | |||
CHEMBL1090937 | 8044 | 0 | None | -28840 | 3 | Mouse | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 554 | 12 | 1 | 7 | 4.2 | CN(CCOc1cc(Cn2cccn2)ccc1CCC(=O)NS(=O)(=O)c1ccc(F)c(F)c1)c1ccccc1 | 10.1016/j.bmcl.2010.02.034 | |||
10272306 | 154834 | 0 | None | 173 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 400 | 9 | 2 | 4 | 2.5 | O=C(O)c1ccc(CCN2C(=O)CCN2CCC(O)Cc2cccc(F)c2)cc1 | 10.1016/j.bmcl.2007.09.074 | |||
CHEMBL400446 | 154834 | 0 | None | 173 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 400 | 9 | 2 | 4 | 2.5 | O=C(O)c1ccc(CCN2C(=O)CCN2CCC(O)Cc2cccc(F)c2)cc1 | 10.1016/j.bmcl.2007.09.074 | |||
44290312 | 178918 | 0 | None | 87 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 421 | 11 | 2 | 3 | 5.0 | O=C(O)CCCCCCN1C(=O)CC[C@@H]1/C=C/C(O)c1cccc(-c2ccccc2)c1 | 10.1016/j.bmcl.2004.01.063 | |||
CHEMBL47018 | 178918 | 0 | None | 87 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 421 | 11 | 2 | 3 | 5.0 | O=C(O)CCCCCCN1C(=O)CC[C@@H]1/C=C/C(O)c1cccc(-c2ccccc2)c1 | 10.1016/j.bmcl.2004.01.063 | |||
10277744 | 64410 | 0 | None | -128 | 7 | Mouse | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 484 | 6 | 1 | 6 | 4.9 | Cc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c1ccc(OC[C@@H]2CN(C)c3ccccc3O2)cc1 | 10.1016/j.bmc.2011.06.014 | |||
CHEMBL1813116 | 64410 | 0 | None | -128 | 7 | Mouse | 5.4 | pKi | = | 5.4 | 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 | |||
15948554 | 83240 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 607 | 10 | 1 | 7 | 5.3 | CCOc1c2c(c(OCC)c3ncccc13)CN(c1ccc(CS(=O)(=O)NC(=O)Cc3ccccc3Cl)cc1C)C2=O | 10.1016/j.bmcl.2008.01.103 | |||
CHEMBL218699 | 83240 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 607 | 10 | 1 | 7 | 5.3 | CCOc1c2c(c(OCC)c3ncccc13)CN(c1ccc(CS(=O)(=O)NC(=O)Cc3ccccc3Cl)cc1C)C2=O | 10.1016/j.bmcl.2008.01.103 | |||
10181606 | 206349 | 0 | None | -147 | 7 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 437 | 5 | 1 | 4 | 5.2 | O=C(/C=C/c1ccccc1-c1ccc(Cl)c(Cl)c1)NS(=O)(=O)c1cccs1 | 10.1016/s0960-894x(03)00794-7 | |||
CHEMBL87371 | 206349 | 0 | None | -147 | 7 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 437 | 5 | 1 | 4 | 5.2 | O=C(/C=C/c1ccccc1-c1ccc(Cl)c(Cl)c1)NS(=O)(=O)c1cccs1 | 10.1016/s0960-894x(03)00794-7 | |||
10181606 | 206349 | 0 | None | -147 | 7 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 437 | 5 | 1 | 4 | 5.2 | O=C(/C=C/c1ccccc1-c1ccc(Cl)c(Cl)c1)NS(=O)(=O)c1cccs1 | 10.1016/s0960-894x(02)00518-8 | |||
CHEMBL87371 | 206349 | 0 | None | -147 | 7 | Human | 5.4 | pKi | = | 5.4 | 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 | |||
23017529 | 8135 | 0 | None | -6918 | 3 | Mouse | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 610 | 12 | 1 | 8 | 4.1 | O=C(CCc1ccc(Cn2cccn2)cc1OCCc1cccc(N2CCOCC2)c1)NS(=O)(=O)c1ccc(F)c(F)c1 | 10.1016/j.bmcl.2010.02.034 | |||
CHEMBL1091744 | 8135 | 0 | None | -6918 | 3 | Mouse | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 610 | 12 | 1 | 8 | 4.1 | O=C(CCc1ccc(Cn2cccn2)cc1OCCc1cccc(N2CCOCC2)c1)NS(=O)(=O)c1ccc(F)c(F)c1 | 10.1016/j.bmcl.2010.02.034 | |||
89914863 | 122595 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 421 | 8 | 2 | 5 | 3.4 | C[C@H](NC(=O)[C@H]1CCCCN1CCOc1ccc(C#N)cc1)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2015.05.091 | |||
CHEMBL3600883 | 122595 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 421 | 8 | 2 | 5 | 3.4 | C[C@H](NC(=O)[C@H]1CCCCN1CCOc1ccc(C#N)cc1)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2015.05.091 | |||
CHEMBL3601984 | 122595 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 421 | 8 | 2 | 5 | 3.4 | C[C@H](NC(=O)[C@H]1CCCCN1CCOc1ccc(C#N)cc1)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2015.05.091 | |||
11577792 | 159316 | 19 | None | -38 | 5 | Dog | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 414 | 6 | 2 | 4 | 4.9 | C[C@H](NC(=O)c1cc(Cl)cnc1Oc1cccc(F)c1)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2017.01.067 | |||
CHEMBL4099851 | 159316 | 19 | None | -38 | 5 | Dog | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 414 | 6 | 2 | 4 | 4.9 | C[C@H](NC(=O)c1cc(Cl)cnc1Oc1cccc(F)c1)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2017.01.067 | |||
10189261 | 95254 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 618 | 12 | 1 | 8 | 5.0 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CS(=O)(=O)NC(=O)Cc3cc(OC)ccc3OC)cc1)C2 | 10.1016/j.bmcl.2008.01.103 | |||
CHEMBL256220 | 95254 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 618 | 12 | 1 | 8 | 5.0 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CS(=O)(=O)NC(=O)Cc3cc(OC)ccc3OC)cc1)C2 | 10.1016/j.bmcl.2008.01.103 | |||
44454021 | 97638 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 600 | 10 | 1 | 6 | 5.9 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CS(=O)(=O)NC(=O)Cc3c(C)cc(C)cc3C)cc1)C2 | 10.1016/j.bmcl.2008.01.103 | |||
CHEMBL271070 | 97638 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 600 | 10 | 1 | 6 | 5.9 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CS(=O)(=O)NC(=O)Cc3c(C)cc(C)cc3C)cc1)C2 | 10.1016/j.bmcl.2008.01.103 | |||
18444545 | 110710 | 1 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 322 | 6 | 1 | 3 | 4.6 | Cc1oc(C(=O)O)cc1CCOc1ccc(-c2ccccc2)cc1 | 10.1016/j.bmcl.2014.02.068 | |||
CHEMBL3260432 | 110710 | 1 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 322 | 6 | 1 | 3 | 4.6 | Cc1oc(C(=O)O)cc1CCOc1ccc(-c2ccccc2)cc1 | 10.1016/j.bmcl.2014.02.068 | |||
53317904 | 56870 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 536 | 7 | 2 | 6 | 5.5 | COC(=O)c1sc2c(C)cc(C)cc2c1-c1ccc(CCNC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1 | 10.1016/j.bmcl.2010.11.118 | |||
CHEMBL1644002 | 56870 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 536 | 7 | 2 | 6 | 5.5 | COC(=O)c1sc2c(C)cc(C)cc2c1-c1ccc(CCNC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1 | 10.1016/j.bmcl.2010.11.118 | |||
118174952 | 136820 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 396 | 4 | 2 | 3 | 5.5 | Cc1cc(C(=O)O)cc(C)c1NC(=O)c1cc(-c2ccccc2)nc2ccccc12 | 10.1016/j.bmcl.2015.11.023 | |||
CHEMBL3741642 | 136820 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 396 | 4 | 2 | 3 | 5.5 | Cc1cc(C(=O)O)cc(C)c1NC(=O)c1cc(-c2ccccc2)nc2ccccc12 | 10.1016/j.bmcl.2015.11.023 | |||
24765766 | 6744 | 0 | None | 30 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 446 | 6 | 2 | 3 | 5.8 | Cc1cn(Cc2cccc(Cl)c2)c2c(C(=O)N[C@@H](C)c3ccc(C(=O)O)cc3)cccc12 | 10.1016/j.bmcl.2010.04.065 | |||
CHEMBL1083746 | 6744 | 0 | None | 30 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 446 | 6 | 2 | 3 | 5.8 | Cc1cn(Cc2cccc(Cl)c2)c2c(C(=O)N[C@@H](C)c3ccc(C(=O)O)cc3)cccc12 | 10.1016/j.bmcl.2010.04.065 | |||
44290262 | 178517 | 0 | None | 10 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 455 | 11 | 2 | 3 | 5.6 | O=C(O)CCCCCCN1C(=O)CC[C@@H]1/C=C/C(O)c1cccc(-c2ccc(Cl)cc2)c1 | 10.1016/j.bmcl.2004.01.063 | |||
CHEMBL46671 | 178517 | 0 | None | 10 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 455 | 11 | 2 | 3 | 5.6 | O=C(O)CCCCCCN1C(=O)CC[C@@H]1/C=C/C(O)c1cccc(-c2ccc(Cl)cc2)c1 | 10.1016/j.bmcl.2004.01.063 | |||
10113722 | 165055 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 433 | 7 | 1 | 4 | 5.2 | CC(C)Oc1c2c(c(OC(C)C)c3ccccc13)C(=O)N(c1ccc(CC(=O)O)cc1)C2 | 10.1016/j.bmcl.2018.03.091 | |||
CHEMBL4226523 | 165055 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 433 | 7 | 1 | 4 | 5.2 | CC(C)Oc1c2c(c(OC(C)C)c3ccccc13)C(=O)N(c1ccc(CC(=O)O)cc1)C2 | 10.1016/j.bmcl.2018.03.091 | |||
44442331 | 94488 | 0 | None | 15 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 355 | 9 | 1 | 2 | 4.6 | CCCC/C(C)=C\C=C\[C@H]1CCC(=O)N1CCc1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2007.05.025 | |||
CHEMBL251505 | 94488 | 0 | None | 15 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 355 | 9 | 1 | 2 | 4.6 | CCCC/C(C)=C\C=C\[C@H]1CCC(=O)N1CCc1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2007.05.025 | |||
118517483 | 144269 | 0 | None | 93 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 396 | 8 | 2 | 3 | 4.2 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2ccccc2F)cc1 | nan | |||
CHEMBL3904946 | 144269 | 0 | None | 93 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 396 | 8 | 2 | 3 | 4.2 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2ccccc2F)cc1 | nan | |||
44453572 | 95135 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 578 | 11 | 1 | 7 | 5.4 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CS(=O)(=O)NC(=O)CCc3ccsc3)cc1)C2 | 10.1016/j.bmcl.2008.01.103 | |||
CHEMBL255632 | 95135 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 578 | 11 | 1 | 7 | 5.4 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CS(=O)(=O)NC(=O)CCc3ccsc3)cc1)C2 | 10.1016/j.bmcl.2008.01.103 | |||
15948788 | 95385 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 629 | 11 | 1 | 8 | 5.2 | CCOc1c2c(c(OCC)c3ncccc13)CN(c1ccc(CS(=O)(=O)NC(=O)C3(c4ccccc4OC)CC3)cc1C)C2=O | 10.1016/j.bmcl.2008.01.103 | |||
CHEMBL256822 | 95385 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 629 | 11 | 1 | 8 | 5.2 | CCOc1c2c(c(OCC)c3ncccc13)CN(c1ccc(CS(=O)(=O)NC(=O)C3(c4ccccc4OC)CC3)cc1C)C2=O | 10.1016/j.bmcl.2008.01.103 | |||
44290267 | 162193 | 0 | None | 13489 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 337 | 11 | 2 | 3 | 3.1 | O=C(O)CCCCCCN1C(=O)CC[C@@H]1/C=C/[C@@H](O)CC1CCC1 | 10.1016/j.bmcl.2004.01.063 | |||
CHEMBL416262 | 162193 | 0 | None | 13489 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 337 | 11 | 2 | 3 | 3.1 | O=C(O)CCCCCCN1C(=O)CC[C@@H]1/C=C/[C@@H](O)CC1CCC1 | 10.1016/j.bmcl.2004.01.063 | |||
10362346 | 69347 | 0 | None | 1548 | 2 | Mouse | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 379 | 11 | 2 | 5 | 2.6 | O=C(O)CCCSCCN1C(=O)OC[C@@H]1/C=C/[C@@H](O)Cc1ccccc1 | 10.1016/j.bmc.2011.12.009 | |||
CHEMBL1929529 | 69347 | 0 | None | 1548 | 2 | Mouse | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 379 | 11 | 2 | 5 | 2.6 | O=C(O)CCCSCCN1C(=O)OC[C@@H]1/C=C/[C@@H](O)Cc1ccccc1 | 10.1016/j.bmc.2011.12.009 | |||
57894108 | 75154 | 0 | None | 1621 | 2 | Mouse | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 494 | 12 | 2 | 5 | 4.3 | O=C(O)CCCSCCN1C(=O)CC[C@@H]1/C=C/[C@@H](O)Cc1cccc(N2Cc3ccccc3C2)c1 | 10.1016/j.bmc.2012.04.008 | |||
CHEMBL2036310 | 75154 | 0 | None | 1621 | 2 | Mouse | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 494 | 12 | 2 | 5 | 4.3 | O=C(O)CCCSCCN1C(=O)CC[C@@H]1/C=C/[C@@H](O)Cc1cccc(N2Cc3ccccc3C2)c1 | 10.1016/j.bmc.2012.04.008 | |||
44289922 | 163522 | 0 | None | 3 | 5 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 339 | 13 | 2 | 3 | 3.5 | CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)N1CCCCCCC(=O)O | 10.1021/jm049290a | |||
CHEMBL42027 | 163522 | 0 | None | 3 | 5 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 339 | 13 | 2 | 3 | 3.5 | CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)N1CCCCCCC(=O)O | 10.1021/jm049290a | |||
44289922 | 163522 | 0 | None | 3 | 5 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 339 | 13 | 2 | 3 | 3.5 | CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)N1CCCCCCC(=O)O | 10.1016/j.bmcl.2004.01.063 | |||
CHEMBL42027 | 163522 | 0 | None | 3 | 5 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 339 | 13 | 2 | 3 | 3.5 | CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)N1CCCCCCC(=O)O | 10.1016/j.bmcl.2004.01.063 | |||
57894065 | 75159 | 0 | None | - | 1 | Mouse | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 484 | 14 | 2 | 6 | 3.7 | O=C(O)CCCSCCN1C(=O)CC[C@@H]1/C=C/[C@@H](O)Cc1cccc(OCc2cccnc2)c1 | 10.1016/j.bmc.2012.04.008 | |||
CHEMBL2036315 | 75159 | 0 | None | - | 1 | Mouse | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 484 | 14 | 2 | 6 | 3.7 | O=C(O)CCCSCCN1C(=O)CC[C@@H]1/C=C/[C@@H](O)Cc1cccc(OCc2cccnc2)c1 | 10.1016/j.bmc.2012.04.008 | |||
44453545 | 95117 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 608 | 10 | 1 | 6 | 6.1 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CS(=O)(=O)NC(=O)Cc3cccc4ccccc34)cc1)C2 | 10.1016/j.bmcl.2008.01.103 | |||
CHEMBL255529 | 95117 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 608 | 10 | 1 | 6 | 6.1 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CS(=O)(=O)NC(=O)Cc3cccc4ccccc34)cc1)C2 | 10.1016/j.bmcl.2008.01.103 | |||
15947337 | 97886 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 641 | 10 | 1 | 7 | 6.0 | CCOc1c2c(c(OCC)c3ncccc13)CN(c1ccc(CS(=O)(=O)NC(=O)Cc3c(Cl)cccc3Cl)cc1C)C2=O | 10.1016/j.bmcl.2008.01.103 | |||
CHEMBL272363 | 97886 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 641 | 10 | 1 | 7 | 6.0 | CCOc1c2c(c(OCC)c3ncccc13)CN(c1ccc(CS(=O)(=O)NC(=O)Cc3c(Cl)cccc3Cl)cc1C)C2=O | 10.1016/j.bmcl.2008.01.103 | |||
24765671 | 6955 | 0 | None | 186 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 466 | 6 | 2 | 3 | 5.9 | C[C@H](NC(=O)c1cccc2ccn(Cc3cccc(C(F)(F)F)c3)c12)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2010.04.065 | |||
CHEMBL1084551 | 6955 | 0 | None | 186 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 466 | 6 | 2 | 3 | 5.9 | C[C@H](NC(=O)c1cccc2ccn(Cc3cccc(C(F)(F)F)c3)c12)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2010.04.065 | |||
57893916 | 75153 | 0 | None | 1288 | 2 | Mouse | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 454 | 12 | 2 | 5 | 3.8 | O=C(O)CCCSCCN1C(=O)CC[C@@H]1/C=C/[C@@H](O)Cc1cccc(-c2ccccn2)c1 | 10.1016/j.bmc.2012.04.008 | |||
CHEMBL2036309 | 75153 | 0 | None | 1288 | 2 | Mouse | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 454 | 12 | 2 | 5 | 3.8 | O=C(O)CCCSCCN1C(=O)CC[C@@H]1/C=C/[C@@H](O)Cc1cccc(-c2ccccn2)c1 | 10.1016/j.bmc.2012.04.008 | |||
9910141 | 100873 | 0 | None | 588 | 3 | Mouse | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 422 | 11 | 4 | 6 | 2.7 | Cc1cc(C[C@H](O)/C=C/[C@H]2[C@H](O)CC(=O)[C@@H]2CCSCCCC(=O)O)ccc1O | 10.1016/s0960-894x(01)00365-1 | |||
CHEMBL293647 | 100873 | 0 | None | 588 | 3 | Mouse | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 422 | 11 | 4 | 6 | 2.7 | Cc1cc(C[C@H](O)/C=C/[C@H]2[C@H](O)CC(=O)[C@@H]2CCSCCCC(=O)O)ccc1O | 10.1016/s0960-894x(01)00365-1 | |||
44290257 | 170238 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 451 | 11 | 3 | 4 | 5.0 | Cc1cc(O)ccc1-c1cccc(C(O)/C=C/[C@H]2CCC(=O)N2CCCCCCC(=O)O)c1 | 10.1016/j.bmcl.2004.01.063 | |||
CHEMBL444574 | 170238 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 451 | 11 | 3 | 4 | 5.0 | Cc1cc(O)ccc1-c1cccc(C(O)/C=C/[C@H]2CCC(=O)N2CCCCCCC(=O)O)c1 | 10.1016/j.bmcl.2004.01.063 | |||
53320542 | 56881 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 557 | 7 | 2 | 5 | 5.1 | Cc1ccc(S(=O)(=O)NC(=O)NCCc2ccc(-c3c(C(=O)N(C)C)sc4c(F)cc(F)cc34)cc2)cc1 | 10.1016/j.bmcl.2010.11.118 | |||
CHEMBL1644012 | 56881 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 557 | 7 | 2 | 5 | 5.1 | Cc1ccc(S(=O)(=O)NC(=O)NCCc2ccc(-c3c(C(=O)N(C)C)sc4c(F)cc(F)cc34)cc2)cc1 | 10.1016/j.bmcl.2010.11.118 | |||
53320544 | 56886 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 471 | 7 | 1 | 4 | 5.2 | Cc1cc(C)c2sc(C(=O)N(C)C)c(-c3ccc(CCNC(=O)Cc4ccccn4)cc3)c2c1 | 10.1016/j.bmcl.2010.11.118 | |||
CHEMBL1644017 | 56886 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 471 | 7 | 1 | 4 | 5.2 | Cc1cc(C)c2sc(C(=O)N(C)C)c(-c3ccc(CCNC(=O)Cc4ccccn4)cc3)c2c1 | 10.1016/j.bmcl.2010.11.118 | |||
92135977 | 152894 | 0 | None | 275 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 396 | 8 | 2 | 3 | 4.2 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2cccc(F)c2)cc1 | nan | |||
CHEMBL3974652 | 152894 | 0 | None | 275 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 396 | 8 | 2 | 3 | 4.2 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2cccc(F)c2)cc1 | nan | |||
53317904 | 56870 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 536 | 7 | 2 | 6 | 5.5 | COC(=O)c1sc2c(C)cc(C)cc2c1-c1ccc(CCNC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1 | 10.1016/j.bmcl.2010.11.118 | |||
CHEMBL1644002 | 56870 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 536 | 7 | 2 | 6 | 5.5 | COC(=O)c1sc2c(C)cc(C)cc2c1-c1ccc(CCNC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1 | 10.1016/j.bmcl.2010.11.118 | |||
89914526 | 122596 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 414 | 8 | 2 | 4 | 3.6 | C[C@H](NC(=O)[C@H]1CCCCN1CCOc1ccc(F)cc1)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2015.05.091 | |||
CHEMBL3600884 | 122596 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 414 | 8 | 2 | 4 | 3.6 | C[C@H](NC(=O)[C@H]1CCCCN1CCOc1ccc(F)cc1)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2015.05.091 | |||
CHEMBL3601985 | 122596 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 414 | 8 | 2 | 4 | 3.6 | C[C@H](NC(=O)[C@H]1CCCCN1CCOc1ccc(F)cc1)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2015.05.091 | |||
72695027 | 106264 | 0 | None | 28 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 396 | 8 | 2 | 4 | 3.5 | C[C@H](NC(=O)[C@H]1CCCCN1CCOc1ccccc1)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2015.05.091 | |||
CHEMBL3115074 | 106264 | 0 | None | 28 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 396 | 8 | 2 | 4 | 3.5 | C[C@H](NC(=O)[C@H]1CCCCN1CCOc1ccccc1)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2015.05.091 | |||
CHEMBL3138992 | 106264 | 0 | None | 28 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 396 | 8 | 2 | 4 | 3.5 | C[C@H](NC(=O)[C@H]1CCCCN1CCOc1ccccc1)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2015.05.091 | |||
9939791 | 161916 | 0 | None | -331 | 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 | 161916 | 0 | None | -331 | 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 | |||
118517453 | 151893 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 434 | 8 | 2 | 4 | 5.3 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2ccc3ccsc3c2)cc1 | nan | |||
CHEMBL3965850 | 151893 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 434 | 8 | 2 | 4 | 5.3 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2ccc3ccsc3c2)cc1 | nan | |||
10368531 | 8629 | 0 | None | -478 | 2 | Mouse | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 495 | 10 | 2 | 3 | 6.9 | Cc1cc(C)cc([C@@H](CC(C)C)NC(=O)c2cc(Oc3cc(F)cc(F)c3)ccc2CCC(=O)O)c1 | 10.1016/j.bmc.2010.03.028 | |||
CHEMBL1095117 | 8629 | 0 | None | -478 | 2 | Mouse | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 495 | 10 | 2 | 3 | 6.9 | Cc1cc(C)cc([C@@H](CC(C)C)NC(=O)c2cc(Oc3cc(F)cc(F)c3)ccc2CCC(=O)O)c1 | 10.1016/j.bmc.2010.03.028 | |||
53358922 | 64428 | 0 | None | -776 | 6 | Mouse | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 522 | 6 | 1 | 6 | 5.3 | Cc1c(CC(=O)O)c2cc(F)ccc2n1C(=O)c1ccc(OC[C@@H]2CN(C)c3ccccc3O2)cc1Cl | 10.1016/j.bmc.2011.06.014 | |||
CHEMBL1813276 | 64428 | 0 | None | -776 | 6 | Mouse | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 522 | 6 | 1 | 6 | 5.3 | Cc1c(CC(=O)O)c2cc(F)ccc2n1C(=O)c1ccc(OC[C@@H]2CN(C)c3ccccc3O2)cc1Cl | 10.1016/j.bmc.2011.06.014 | |||
53325842 | 56889 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 430 | 6 | 1 | 5 | 5.3 | Cc1cc(C)c2sc(C(=O)N(C)C)c(-c3ccc(CCNc4ncccn4)cc3)c2c1 | 10.1016/j.bmcl.2010.11.118 | |||
CHEMBL1644020 | 56889 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 430 | 6 | 1 | 5 | 5.3 | Cc1cc(C)c2sc(C(=O)N(C)C)c(-c3ccc(CCNc4ncccn4)cc3)c2c1 | 10.1016/j.bmcl.2010.11.118 | |||
53325842 | 56889 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 430 | 6 | 1 | 5 | 5.3 | Cc1cc(C)c2sc(C(=O)N(C)C)c(-c3ccc(CCNc4ncccn4)cc3)c2c1 | 10.1016/j.bmcl.2010.11.118 | |||
CHEMBL1644020 | 56889 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 430 | 6 | 1 | 5 | 5.3 | Cc1cc(C)c2sc(C(=O)N(C)C)c(-c3ccc(CCNc4ncccn4)cc3)c2c1 | 10.1016/j.bmcl.2010.11.118 | |||
44290271 | 179046 | 0 | None | 204 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 455 | 11 | 2 | 3 | 5.6 | O=C(O)CCCCCCN1C(=O)CC[C@@H]1/C=C/C(O)c1cccc(-c2cccc(Cl)c2)c1 | 10.1016/j.bmcl.2004.01.063 | |||
CHEMBL47138 | 179046 | 0 | None | 204 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 455 | 11 | 2 | 3 | 5.6 | O=C(O)CCCCCCN1C(=O)CC[C@@H]1/C=C/C(O)c1cccc(-c2cccc(Cl)c2)c1 | 10.1016/j.bmcl.2004.01.063 | |||
786859 | 110699 | 8 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 308 | 5 | 1 | 3 | 4.5 | Cc1oc(C(=O)O)cc1COc1ccc(-c2ccccc2)cc1 | 10.1016/j.bmcl.2014.02.068 | |||
CHEMBL3260419 | 110699 | 8 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 308 | 5 | 1 | 3 | 4.5 | Cc1oc(C(=O)O)cc1COc1ccc(-c2ccccc2)cc1 | 10.1016/j.bmcl.2014.02.068 | |||
11282034 | 66628 | 0 | None | -10 | 3 | Mouse | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 437 | 11 | 1 | 5 | 5.6 | CCCCOc1ccc(C(=O)n2c(C)c(CCCCC(=O)O)c3cc(OC)ccc32)cc1 | 10.1016/j.bmcl.2004.06.006 | |||
CHEMBL185277 | 66628 | 0 | None | -10 | 3 | Mouse | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 437 | 11 | 1 | 5 | 5.6 | CCCCOc1ccc(C(=O)n2c(C)c(CCCCC(=O)O)c3cc(OC)ccc32)cc1 | 10.1016/j.bmcl.2004.06.006 | |||
57400249 | 69475 | 0 | None | -3 | 3 | Mouse | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 410 | 9 | 2 | 6 | 3.4 | O=C(O)c1csc(SCCN2C(=O)CC[C@@H]2/C=C/[C@@H](O)CC2CCCC2)n1 | 10.1016/j.bmcl.2011.10.109 | |||
CHEMBL1933728 | 69475 | 0 | None | -3 | 3 | Mouse | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 410 | 9 | 2 | 6 | 3.4 | O=C(O)c1csc(SCCN2C(=O)CC[C@@H]2/C=C/[C@@H](O)CC2CCCC2)n1 | 10.1016/j.bmcl.2011.10.109 | |||
10368064 | 8625 | 0 | None | -151 | 2 | Mouse | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 484 | 10 | 2 | 4 | 6.5 | Cc1cc(C)cc([C@@H](CC(C)C)NC(=O)c2cc(Oc3cccc(C#N)c3)ccc2CCC(=O)O)c1 | 10.1016/j.bmc.2010.03.028 | |||
CHEMBL1095065 | 8625 | 0 | None | -151 | 2 | Mouse | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 484 | 10 | 2 | 4 | 6.5 | Cc1cc(C)cc([C@@H](CC(C)C)NC(=O)c2cc(Oc3cccc(C#N)c3)ccc2CCC(=O)O)c1 | 10.1016/j.bmc.2010.03.028 | |||
44400355 | 68644 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 556 | 13 | 5 | 5 | 3.8 | O=C(NCCC[C@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)OCc1ccccc1 | 10.1021/jm050085k | |||
CHEMBL191898 | 68644 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 556 | 13 | 5 | 5 | 3.8 | O=C(NCCC[C@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)OCc1ccccc1 | 10.1021/jm050085k | |||
56944513 | 129208 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 459 | 6 | 2 | 5 | 4.7 | Cc1nn(C)c(Oc2cccc(C(F)(F)F)c2)c1C(=O)NC1(c2ccc(C(=O)O)cc2)CC1 | nan | |||
CHEMBL3670682 | 129208 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 459 | 6 | 2 | 5 | 4.7 | Cc1nn(C)c(Oc2cccc(C(F)(F)F)c2)c1C(=O)NC1(c2ccc(C(=O)O)cc2)CC1 | nan | |||
46887210 | 8626 | 0 | None | -549 | 2 | Mouse | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 494 | 10 | 3 | 3 | 6.9 | Cc1cc(C)cc([C@@H](CC(C)C)NC(=O)c2cc(Nc3cc(F)cc(F)c3)ccc2CCC(=O)O)c1 | 10.1016/j.bmc.2010.03.028 | |||
CHEMBL1095066 | 8626 | 0 | None | -549 | 2 | Mouse | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 494 | 10 | 3 | 3 | 6.9 | Cc1cc(C)cc([C@@H](CC(C)C)NC(=O)c2cc(Nc3cc(F)cc(F)c3)ccc2CCC(=O)O)c1 | 10.1016/j.bmc.2010.03.028 | |||
52941777 | 16538 | 0 | None | -1 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 744 | 16 | 2 | 4 | 10.9 | Cc1cccc(/C=C/Cc2ccccc2CC(=O)O)c1OCc1ccccc1.Cc1cccc(C/C=C/c2ccccc2CC(=O)O)c1OCc1ccccc1 | 10.1016/j.bmcl.2004.11.051 | |||
CHEMBL1237302 | 16538 | 0 | None | -1 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 744 | 16 | 2 | 4 | 10.9 | Cc1cccc(/C=C/Cc2ccccc2CC(=O)O)c1OCc1ccccc1.Cc1cccc(C/C=C/c2ccccc2CC(=O)O)c1OCc1ccccc1 | 10.1016/j.bmcl.2004.11.051 | |||
44390782 | 64601 | 0 | None | -223 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 402 | 10 | 1 | 3 | 5.5 | COc1cccc(CCCc2ccccc2/C=C/C(=O)O)c1OCc1ccccc1 | 10.1016/j.bmcl.2004.11.051 | |||
CHEMBL181691 | 64601 | 0 | None | -223 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 402 | 10 | 1 | 3 | 5.5 | COc1cccc(CCCc2ccccc2/C=C/C(=O)O)c1OCc1ccccc1 | 10.1016/j.bmcl.2004.11.051 | |||
10200281 | 199824 | 1 | None | -97 | 2 | Mouse | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 388 | 8 | 1 | 5 | 4.4 | O=C(O)/C=C/c1ccc(Cn2ccnc2)cc1OCCc1cc2ccccc2o1 | 10.1016/j.bmc.2009.08.007 | |||
CHEMBL594210 | 199824 | 1 | None | -97 | 2 | Mouse | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 388 | 8 | 1 | 5 | 4.4 | O=C(O)/C=C/c1ccc(Cn2ccnc2)cc1OCCc1cc2ccccc2o1 | 10.1016/j.bmc.2009.08.007 | |||
22009004 | 141749 | 0 | None | -1202 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 545 | 11 | 1 | 6 | 6.1 | COc1cc(C/C=C/c2ccccc2/C=C/C(=O)NS(=O)(=O)c2cccs2)ccc1OCc1ccccc1 | 10.1021/ml300191g | |||
CHEMBL385955 | 141749 | 0 | None | -1202 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 545 | 11 | 1 | 6 | 6.1 | COc1cc(C/C=C/c2ccccc2/C=C/C(=O)NS(=O)(=O)c2cccs2)ccc1OCc1ccccc1 | 10.1021/ml300191g | |||
44444716 | 154835 | 0 | None | 12 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 484 | 12 | 1 | 3 | 5.4 | CC(CCN1CCC(=O)N1CCc1ccc(C(=O)O)cc1)Cc1cccc(CCc2ccccc2)c1 | 10.1016/j.bmcl.2007.09.074 | |||
CHEMBL400447 | 154835 | 0 | None | 12 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 484 | 12 | 1 | 3 | 5.4 | CC(CCN1CCC(=O)N1CCc1ccc(C(=O)O)cc1)Cc1cccc(CCc2ccccc2)c1 | 10.1016/j.bmcl.2007.09.074 | |||
89914524 | 122593 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 408 | 8 | 2 | 4 | 3.4 | O=C(O)c1ccc(C2(NC(=O)[C@H]3CCCCN3CCOc3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2015.05.091 | |||
CHEMBL3600788 | 122593 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 408 | 8 | 2 | 4 | 3.4 | O=C(O)c1ccc(C2(NC(=O)[C@H]3CCCCN3CCOc3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2015.05.091 | |||
CHEMBL3601973 | 122593 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 408 | 8 | 2 | 4 | 3.4 | O=C(O)c1ccc(C2(NC(=O)[C@H]3CCCCN3CCOc3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2015.05.091 | |||
18973764 | 16645 | 0 | None | -2 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 346 | 8 | 1 | 2 | 5.1 | O=C(O)c1ccc(CCCc2ccccc2OCc2ccccc2)cc1 | 10.1016/s0960-894x(03)00794-7 | |||
CHEMBL124199 | 16645 | 0 | None | -2 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 346 | 8 | 1 | 2 | 5.1 | O=C(O)c1ccc(CCCc2ccccc2OCc2ccccc2)cc1 | 10.1016/s0960-894x(03)00794-7 | |||
9865111 | 63863 | 0 | None | -6 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 388 | 10 | 1 | 2 | 5.8 | Cc1cccc(CCCc2ccccc2CCC(=O)O)c1OCc1ccccc1 | 10.1016/j.bmcl.2004.11.051 | |||
CHEMBL180343 | 63863 | 0 | None | -6 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 388 | 10 | 1 | 2 | 5.8 | Cc1cccc(CCCc2ccccc2CCC(=O)O)c1OCc1ccccc1 | 10.1016/j.bmcl.2004.11.051 | |||
44419350 | 84140 | 0 | None | -6 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 388 | 10 | 1 | 2 | 5.8 | Cc1ccc(OCc2ccccc2)c(CCCc2ccccc2CCC(=O)O)c1 | 10.1016/j.bmcl.2006.08.025 | |||
CHEMBL220820 | 84140 | 0 | None | -6 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 388 | 10 | 1 | 2 | 5.8 | Cc1ccc(OCc2ccccc2)c(CCCc2ccccc2CCC(=O)O)c1 | 10.1016/j.bmcl.2006.08.025 | |||
44320373 | 206248 | 0 | None | -30 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 376 | 9 | 1 | 2 | 5.8 | O=C(O)CCc1ccccc1-c1ccc(CSCCc2ccccc2)cc1 | 10.1016/s0960-894x(02)00518-8 | |||
CHEMBL86799 | 206248 | 0 | None | -30 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 376 | 9 | 1 | 2 | 5.8 | O=C(O)CCc1ccccc1-c1ccc(CSCCc2ccccc2)cc1 | 10.1016/s0960-894x(02)00518-8 | |||
52947851 | 16543 | 0 | None | -43 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 528 | 10 | 2 | 2 | 8.1 | O=C(O)/C=C/c1ccccc1/C=C/Cc1ccccc1.O=C(O)/C=C/c1ccccc1C/C=C/c1ccccc1 | 10.1016/j.bmcl.2004.11.051 | |||
CHEMBL1237315 | 16543 | 0 | None | -43 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 528 | 10 | 2 | 2 | 8.1 | O=C(O)/C=C/c1ccccc1/C=C/Cc1ccccc1.O=C(O)/C=C/c1ccccc1C/C=C/c1ccccc1 | 10.1016/j.bmcl.2004.11.051 | |||
52947851 | 16543 | 0 | None | -43 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 528 | 10 | 2 | 2 | 8.1 | O=C(O)/C=C/c1ccccc1/C=C/Cc1ccccc1.O=C(O)/C=C/c1ccccc1C/C=C/c1ccccc1 | 10.1016/j.bmcl.2006.08.025 | |||
CHEMBL1237315 | 16543 | 0 | None | -43 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 528 | 10 | 2 | 2 | 8.1 | O=C(O)/C=C/c1ccccc1/C=C/Cc1ccccc1.O=C(O)/C=C/c1ccccc1C/C=C/c1ccccc1 | 10.1016/j.bmcl.2006.08.025 | |||
9813912 | 137880 | 0 | None | -43 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 264 | 5 | 1 | 1 | 4.0 | O=C(O)/C=C/c1ccccc1C/C=C/c1ccccc1 | 10.1016/j.bmcl.2006.08.025 | |||
CHEMBL376282 | 137880 | 0 | None | -43 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 264 | 5 | 1 | 1 | 4.0 | O=C(O)/C=C/c1ccccc1C/C=C/c1ccccc1 | 10.1016/j.bmcl.2006.08.025 | |||
11597294 | 166174 | 4 | None | -5248 | 8 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 435 | 4 | 1 | 2 | 5.7 | O=C(O)C[C@H]1CCc2c1n(Cc1ccc(Cl)cc1)c1c(Br)cc(F)cc21 | 10.1021/jm0603668 | |||
CHEMBL426387 | 166174 | 4 | None | -5248 | 8 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 435 | 4 | 1 | 2 | 5.7 | O=C(O)C[C@H]1CCc2c1n(Cc1ccc(Cl)cc1)c1c(Br)cc(F)cc21 | 10.1021/jm0603668 | |||
44269540 | 98632 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 391 | 11 | 1 | 5 | 2.8 | COC(=O)CSCCCCN1C(=O)CC[C@@H]1/C=C/C(O)Cc1ccccc1 | 10.1016/s0960-894x(03)00042-8 | |||
CHEMBL277158 | 98632 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 391 | 11 | 1 | 5 | 2.8 | COC(=O)CSCCCCN1C(=O)CC[C@@H]1/C=C/C(O)Cc1ccccc1 | 10.1016/s0960-894x(03)00042-8 | |||
10247632 | 77989 | 0 | None | 1 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 355 | 9 | 1 | 2 | 4.6 | CCCC/C=C(C)/C=C\[C@H]1CCC(=O)N1CCc1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2007.05.025 | |||
CHEMBL2096894 | 77989 | 0 | None | 1 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 355 | 9 | 1 | 2 | 4.6 | CCCC/C=C(C)/C=C\[C@H]1CCC(=O)N1CCc1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2007.05.025 | |||
11677589 | 1857 | 56 | None | -3 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 491 | 7 | 2 | 6 | 4.1 | CCc1nc2c(n1c1ccc(cc1)CCNC(=O)NS(=O)(=O)c1ccc(cc1)C)cc(nc2C)C | 10.1016/j.bmcl.2015.11.023 | |||
5858 | 1857 | 56 | None | -3 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 491 | 7 | 2 | 6 | 4.1 | CCc1nc2c(n1c1ccc(cc1)CCNC(=O)NS(=O)(=O)c1ccc(cc1)C)cc(nc2C)C | 10.1016/j.bmcl.2015.11.023 | |||
CHEMBL3039498 | 1857 | 56 | None | -3 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 491 | 7 | 2 | 6 | 4.1 | CCc1nc2c(n1c1ccc(cc1)CCNC(=O)NS(=O)(=O)c1ccc(cc1)C)cc(nc2C)C | 10.1016/j.bmcl.2015.11.023 | |||
DB12836 | 1857 | 56 | None | -3 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 491 | 7 | 2 | 6 | 4.1 | CCc1nc2c(n1c1ccc(cc1)CCNC(=O)NS(=O)(=O)c1ccc(cc1)C)cc(nc2C)C | 10.1016/j.bmcl.2015.11.023 | |||
11677589 | 1857 | 56 | None | -3 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 491 | 7 | 2 | 6 | 4.1 | CCc1nc2c(n1c1ccc(cc1)CCNC(=O)NS(=O)(=O)c1ccc(cc1)C)cc(nc2C)C | 10.1016/j.bmcl.2015.05.091 | |||
5858 | 1857 | 56 | None | -3 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 491 | 7 | 2 | 6 | 4.1 | CCc1nc2c(n1c1ccc(cc1)CCNC(=O)NS(=O)(=O)c1ccc(cc1)C)cc(nc2C)C | 10.1016/j.bmcl.2015.05.091 | |||
CHEMBL3039498 | 1857 | 56 | None | -3 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 491 | 7 | 2 | 6 | 4.1 | CCc1nc2c(n1c1ccc(cc1)CCNC(=O)NS(=O)(=O)c1ccc(cc1)C)cc(nc2C)C | 10.1016/j.bmcl.2015.05.091 | |||
DB12836 | 1857 | 56 | None | -3 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 491 | 7 | 2 | 6 | 4.1 | CCc1nc2c(n1c1ccc(cc1)CCNC(=O)NS(=O)(=O)c1ccc(cc1)C)cc(nc2C)C | 10.1016/j.bmcl.2015.05.091 | |||
10448293 | 154419 | 0 | None | 41 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 313 | 6 | 1 | 2 | 3.4 | CC(C)=C/C=C/[C@H]1CCC(=O)N1CCc1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2007.05.025 | |||
CHEMBL398947 | 154419 | 0 | None | 41 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 313 | 6 | 1 | 2 | 3.4 | CC(C)=C/C=C/[C@H]1CCC(=O)N1CCc1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2007.05.025 | |||
52945421 | 16534 | 0 | None | -25 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 740 | 16 | 2 | 4 | 11.2 | O=C(O)/C=C/c1ccccc1/C=C/Cc1cccc(OCc2ccccc2)c1.O=C(O)/C=C/c1ccccc1C/C=C\c1cccc(OCc2ccccc2)c1 | 10.1016/j.bmcl.2004.11.051 | |||
CHEMBL1237298 | 16534 | 0 | None | -25 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 740 | 16 | 2 | 4 | 11.2 | O=C(O)/C=C/c1ccccc1/C=C/Cc1cccc(OCc2ccccc2)c1.O=C(O)/C=C/c1ccccc1C/C=C\c1cccc(OCc2ccccc2)c1 | 10.1016/j.bmcl.2004.11.051 | |||
118517489 | 143689 | 0 | None | 44 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 414 | 8 | 2 | 3 | 4.4 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2cc(F)ccc2F)cc1 | nan | |||
CHEMBL3900245 | 143689 | 0 | None | 44 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 414 | 8 | 2 | 3 | 4.4 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2cc(F)ccc2F)cc1 | nan | |||
9830839 | 106929 | 0 | None | 151 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 640 | 10 | 1 | 8 | 6.3 | CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)c2cccs2)cc1 | 10.1016/s0960-894x(02)00518-8 | |||
CHEMBL314812 | 106929 | 0 | None | 151 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 640 | 10 | 1 | 8 | 6.3 | CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)c2cccs2)cc1 | 10.1016/s0960-894x(02)00518-8 | |||
44349551 | 16812 | 0 | None | -8 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 415 | 8 | 2 | 4 | 6.2 | O=C(O)CNc1ccccc1-c1csc(-c2ccccc2OCc2ccccc2)c1 | 10.1016/s0960-894x(03)00794-7 | |||
CHEMBL124675 | 16812 | 0 | None | -8 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 415 | 8 | 2 | 4 | 6.2 | O=C(O)CNc1ccccc1-c1csc(-c2ccccc2OCc2ccccc2)c1 | 10.1016/s0960-894x(03)00794-7 | |||
9982348 | 8594 | 0 | None | -912 | 2 | Mouse | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 474 | 11 | 2 | 4 | 5.8 | Cc1cc(C)cc([C@@H](CC(C)C)NC(=O)c2cc(COc3cccnc3)ccc2CCC(=O)O)c1 | 10.1016/j.bmc.2010.03.028 | |||
CHEMBL1094814 | 8594 | 0 | None | -912 | 2 | Mouse | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 474 | 11 | 2 | 4 | 5.8 | Cc1cc(C)cc([C@@H](CC(C)C)NC(=O)c2cc(COc3cccnc3)ccc2CCC(=O)O)c1 | 10.1016/j.bmc.2010.03.028 | |||
10480657 | 8804 | 0 | None | -831 | 2 | Mouse | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 488 | 11 | 2 | 4 | 6.1 | Cc1cc(C)cc([C@@H](CC(C)C)NC(=O)c2cc(COc3cccnc3C)ccc2CCC(=O)O)c1 | 10.1016/j.bmc.2010.03.028 | |||
CHEMBL1096750 | 8804 | 0 | None | -831 | 2 | Mouse | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 488 | 11 | 2 | 4 | 6.1 | Cc1cc(C)cc([C@@H](CC(C)C)NC(=O)c2cc(COc3cccnc3C)ccc2CCC(=O)O)c1 | 10.1016/j.bmc.2010.03.028 | |||
118517450 | 150031 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 458 | 9 | 2 | 4 | 5.2 | COc1cc2ccccc2cc1CC(O)/C=C/[C@H]1CCC(=O)[C@@H]1CCc1ccc(C(=O)O)cc1 | nan | |||
CHEMBL3950498 | 150031 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 458 | 9 | 2 | 4 | 5.2 | COc1cc2ccccc2cc1CC(O)/C=C/[C@H]1CCC(=O)[C@@H]1CCc1ccc(C(=O)O)cc1 | nan | |||
9959673 | 206464 | 0 | None | -6 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 567 | 5 | 2 | 4 | 6.1 | CC(C)(C)NC(=O)NS(=O)(=O)c1ccccc1-c1ccc(CN2C(=O)c3ccccc3CCc3ccccc32)cc1 | 10.1016/s0960-894x(99)00465-5 | |||
CHEMBL88154 | 206464 | 0 | None | -6 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 567 | 5 | 2 | 4 | 6.1 | CC(C)(C)NC(=O)NS(=O)(=O)c1ccccc1-c1ccc(CN2C(=O)c3ccccc3CCc3ccccc32)cc1 | 10.1016/s0960-894x(99)00465-5 | |||
15948441 | 170396 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 574 | 10 | 1 | 8 | 4.1 | CCOc1c2c(c(OCC)c3ncccc13)CN(c1ccc(CS(=O)(=O)NC(=O)Cc3cccnc3)cc1C)C2=O | 10.1016/j.bmcl.2008.01.103 | |||
CHEMBL444800 | 170396 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 574 | 10 | 1 | 8 | 4.1 | CCOc1c2c(c(OCC)c3ncccc13)CN(c1ccc(CS(=O)(=O)NC(=O)Cc3cccnc3)cc1C)C2=O | 10.1016/j.bmcl.2008.01.103 | |||
44455157 | 98022 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 317 | 7 | 2 | 3 | 2.2 | CC[C@H](O)/C=C/[C@H]1CCC(=O)N1CCc1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2007.11.020 | |||
CHEMBL272969 | 98022 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 317 | 7 | 2 | 3 | 2.2 | CC[C@H](O)/C=C/[C@H]1CCC(=O)N1CCc1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2007.11.020 | |||
18444626 | 110726 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 477 | 8 | 1 | 6 | 5.0 | COc1ccc(-c2ccc(OCc3cc(C(=O)NS(=O)(=O)c4ccccc4)oc3C)cc2)cc1 | 10.1016/j.bmcl.2014.02.068 | |||
CHEMBL3260456 | 110726 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 477 | 8 | 1 | 6 | 5.0 | COc1ccc(-c2ccc(OCc3cc(C(=O)NS(=O)(=O)c4ccccc4)oc3C)cc2)cc1 | 10.1016/j.bmcl.2014.02.068 | |||
58824196 | 110731 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 443 | 9 | 1 | 6 | 4.3 | CCCS(=O)(=O)NC(=O)c1cc(COc2ccc(-c3ccc(OC)cc3)cc2)c(C)o1 | 10.1016/j.bmcl.2014.02.068 | |||
CHEMBL3260461 | 110731 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 443 | 9 | 1 | 6 | 4.3 | CCCS(=O)(=O)NC(=O)c1cc(COc2ccc(-c3ccc(OC)cc3)cc2)c(C)o1 | 10.1016/j.bmcl.2014.02.068 | |||
118517489 | 143689 | 0 | None | 44 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 414 | 8 | 2 | 3 | 4.4 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2cc(F)ccc2F)cc1 | nan | |||
CHEMBL3900245 | 143689 | 0 | None | 44 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 414 | 8 | 2 | 3 | 4.4 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2cc(F)ccc2F)cc1 | nan | |||
11249458 | 69254 | 0 | None | -5 | 2 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 523 | 15 | 4 | 6 | 4.0 | O=C(O)CCCCCNC(=O)[C@H](CCCNC(=O)OCc1ccccc1)NC(=O)c1cc2ccccc2o1 | 10.1021/jm050085k | |||
CHEMBL192729 | 69254 | 0 | None | -5 | 2 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 523 | 15 | 4 | 6 | 4.0 | O=C(O)CCCCCNC(=O)[C@H](CCCNC(=O)OCc1ccccc1)NC(=O)c1cc2ccccc2o1 | 10.1021/jm050085k | |||
24952575 | 132107 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 433 | 6 | 2 | 3 | 5.8 | CC(NC(=O)c1sc(Cl)cc1Cc1cccc(Cl)c1)c1ccc(C(=O)O)cc1 | nan | |||
CHEMBL3695934 | 132107 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 433 | 6 | 2 | 3 | 5.8 | CC(NC(=O)c1sc(Cl)cc1Cc1cccc(Cl)c1)c1ccc(C(=O)O)cc1 | nan | |||
53320541 | 56874 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 576 | 8 | 1 | 6 | 5.6 | COc1ccccc1C1(C(=O)NS(=O)(=O)Cc2ccc(-c3c(C(=O)N(C)C)sc4c(C)cc(C)cc34)cc2)CC1 | 10.1016/j.bmcl.2010.11.118 | |||
CHEMBL1644006 | 56874 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 576 | 8 | 1 | 6 | 5.6 | COc1ccccc1C1(C(=O)NS(=O)(=O)Cc2ccc(-c3c(C(=O)N(C)C)sc4c(C)cc(C)cc34)cc2)CC1 | 10.1016/j.bmcl.2010.11.118 | |||
44304009 | 100734 | 0 | None | 575 | 3 | Mouse | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 482 | 15 | 3 | 7 | 3.3 | CCCOCc1cccc(C[C@H](O)/C=C/[C@H]2[C@H](O)CC(=O)[C@@H]2SCCCSCC(=O)O)c1 | 10.1016/s0960-894x(01)00364-x | |||
CHEMBL292717 | 100734 | 0 | None | 575 | 3 | Mouse | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 482 | 15 | 3 | 7 | 3.3 | CCCOCc1cccc(C[C@H](O)/C=C/[C@H]2[C@H](O)CC(=O)[C@@H]2SCCCSCC(=O)O)c1 | 10.1016/s0960-894x(01)00364-x | |||
53319233 | 56875 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 614 | 7 | 1 | 5 | 6.9 | Cc1cc(C)c2sc(C(=O)N(C)C)c(-c3ccc(CS(=O)(=O)NC(=O)C4(c5c(Cl)cccc5Cl)CC4)cc3)c2c1 | 10.1016/j.bmcl.2010.11.118 | |||
CHEMBL1644007 | 56875 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 614 | 7 | 1 | 5 | 6.9 | Cc1cc(C)c2sc(C(=O)N(C)C)c(-c3ccc(CS(=O)(=O)NC(=O)C4(c5c(Cl)cccc5Cl)CC4)cc3)c2c1 | 10.1016/j.bmcl.2010.11.118 | |||
57393339 | 69470 | 0 | None | 57 | 2 | Mouse | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 432 | 9 | 2 | 6 | 3.4 | Cc1cccc(C[C@H](O)/C=C/[C@H]2CCC(=O)N2CCSc2ncc(C(=O)O)s2)c1 | 10.1016/j.bmcl.2011.10.109 | |||
CHEMBL1933723 | 69470 | 0 | None | 57 | 2 | Mouse | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 432 | 9 | 2 | 6 | 3.4 | Cc1cccc(C[C@H](O)/C=C/[C@H]2CCC(=O)N2CCSc2ncc(C(=O)O)s2)c1 | 10.1016/j.bmcl.2011.10.109 | |||
57393339 | 69470 | 0 | None | 57 | 2 | Mouse | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 432 | 9 | 2 | 6 | 3.4 | Cc1cccc(C[C@H](O)/C=C/[C@H]2CCC(=O)N2CCSc2ncc(C(=O)O)s2)c1 | 10.1016/j.bmc.2012.02.018 | |||
CHEMBL1933723 | 69470 | 0 | None | 57 | 2 | Mouse | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 432 | 9 | 2 | 6 | 3.4 | Cc1cccc(C[C@H](O)/C=C/[C@H]2CCC(=O)N2CCSc2ncc(C(=O)O)s2)c1 | 10.1016/j.bmc.2012.02.018 | |||
9955802 | 69182 | 0 | None | 112 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 435 | 6 | 1 | 3 | 7.1 | O=C(O)c1cccc(C[C@@H]2CCCC=C2c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1 | 10.1021/jm050085k | |||
CHEMBL192613 | 69182 | 0 | None | 112 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 435 | 6 | 1 | 3 | 7.1 | O=C(O)c1cccc(C[C@@H]2CCCC=C2c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1 | 10.1021/jm050085k | |||
53325840 | 56872 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 569 | 7 | 2 | 5 | 5.8 | Cc1cc(C)c2sc(C(=O)N(C)C)c(-c3ccc(CCNC(=O)NS(=O)(=O)c4ccc(Cl)cc4)cc3)c2c1 | 10.1016/j.bmcl.2010.11.118 | |||
CHEMBL1644004 | 56872 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 569 | 7 | 2 | 5 | 5.8 | Cc1cc(C)c2sc(C(=O)N(C)C)c(-c3ccc(CCNC(=O)NS(=O)(=O)c4ccc(Cl)cc4)cc3)c2c1 | 10.1016/j.bmcl.2010.11.118 | |||
53316601 | 56887 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 526 | 8 | 1 | 4 | 6.3 | COc1ccccc1C1(C(=O)NCCc2ccc(-c3c(C(=O)N(C)C)sc4c(C)cc(C)cc34)cc2)CC1 | 10.1016/j.bmcl.2010.11.118 | |||
CHEMBL1644018 | 56887 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 526 | 8 | 1 | 4 | 6.3 | COc1ccccc1C1(C(=O)NCCc2ccc(-c3c(C(=O)N(C)C)sc4c(C)cc(C)cc34)cc2)CC1 | 10.1016/j.bmcl.2010.11.118 | |||
44400189 | 67487 | 0 | None | 3 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 449 | 7 | 1 | 3 | 7.1 | O=C(O)Cc1cccc(C[C@@H]2CCCC=C2c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1 | 10.1021/jm050085k | |||
CHEMBL189378 | 67487 | 0 | None | 3 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 449 | 7 | 1 | 3 | 7.1 | O=C(O)Cc1cccc(C[C@@H]2CCCC=C2c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1 | 10.1021/jm050085k | |||
56944704 | 129210 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 449 | 7 | 2 | 5 | 5.0 | C[C@H](NC(=O)c1c(C(F)F)nn(C)c1Oc1cccc(Cl)c1)c1ccc(C(=O)O)cc1 | nan | |||
CHEMBL3670684 | 129210 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 449 | 7 | 2 | 5 | 5.0 | C[C@H](NC(=O)c1c(C(F)F)nn(C)c1Oc1cccc(Cl)c1)c1ccc(C(=O)O)cc1 | nan | |||
9809136 | 106887 | 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 | 106887 | 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 | |||
24952924 | 132112 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 567 | 8 | 2 | 5 | 7.5 | C[C@H](NC(=O)c1c(Cl)sc(Cl)c1C(OC1CCCCO1)c1cccc(Cl)c1)c1ccc(C(=O)O)cc1 | nan | |||
CHEMBL3695939 | 132112 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 567 | 8 | 2 | 5 | 7.5 | C[C@H](NC(=O)c1c(Cl)sc(Cl)c1C(OC1CCCCO1)c1cccc(Cl)c1)c1ccc(C(=O)O)cc1 | nan | |||
1351369 | 136829 | 12 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 352 | 3 | 1 | 2 | 5.8 | Cc1cccc(C)c1NC(=O)c1cc(-c2ccccc2)nc2ccccc12 | 10.1016/j.bmcl.2015.11.023 | |||
CHEMBL3741710 | 136829 | 12 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 352 | 3 | 1 | 2 | 5.8 | Cc1cccc(C)c1NC(=O)c1cc(-c2ccccc2)nc2ccccc12 | 10.1016/j.bmcl.2015.11.023 | |||
118174968 | 136616 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 426 | 5 | 3 | 4 | 5.0 | Cc1cc(C(=O)O)cc(C)c1NC(=O)c1cc(-c2cccc(CO)c2)nc2ccccc12 | 10.1016/j.bmcl.2015.11.023 | |||
CHEMBL3739779 | 136616 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 426 | 5 | 3 | 4 | 5.0 | Cc1cc(C(=O)O)cc(C)c1NC(=O)c1cc(-c2cccc(CO)c2)nc2ccccc12 | 10.1016/j.bmcl.2015.11.023 | |||
10137386 | 71302 | 0 | None | 97 | 2 | Mouse | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 427 | 9 | 2 | 3 | 3.7 | O=C(O)Cc1cccc(CCN2C(=O)CC[C@@H]2/C=C/[C@@H](O)Cc2cccc(Cl)c2)c1 | 10.1016/j.bmc.2012.02.018 | |||
CHEMBL1957433 | 71302 | 0 | None | 97 | 2 | Mouse | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 427 | 9 | 2 | 3 | 3.7 | O=C(O)Cc1cccc(CCN2C(=O)CC[C@@H]2/C=C/[C@@H](O)Cc2cccc(Cl)c2)c1 | 10.1016/j.bmc.2012.02.018 | |||
11255960 | 137863 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 329 | 11 | 2 | 4 | 2.3 | CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)N1CCSCC(=O)O | 10.1021/jm049290a | |||
CHEMBL376063 | 137863 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 329 | 11 | 2 | 4 | 2.3 | CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)N1CCSCC(=O)O | 10.1021/jm049290a | |||
72695027 | 106264 | 0 | None | 28 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 396 | 8 | 2 | 4 | 3.5 | C[C@H](NC(=O)[C@H]1CCCCN1CCOc1ccccc1)c1ccc(C(=O)O)cc1 | 10.1021/ml5000367 | |||
CHEMBL3115074 | 106264 | 0 | None | 28 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 396 | 8 | 2 | 4 | 3.5 | C[C@H](NC(=O)[C@H]1CCCCN1CCOc1ccccc1)c1ccc(C(=O)O)cc1 | 10.1021/ml5000367 | |||
CHEMBL3138992 | 106264 | 0 | None | 28 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 396 | 8 | 2 | 4 | 3.5 | C[C@H](NC(=O)[C@H]1CCCCN1CCOc1ccccc1)c1ccc(C(=O)O)cc1 | 10.1021/ml5000367 | |||
53323903 | 57104 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 444 | 7 | 3 | 4 | 4.1 | C[C@H](NC(=O)c1cccc2c1N(Cc1ccc(C(=O)O)cc1)CC2)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2010.10.106 | |||
CHEMBL1645143 | 57104 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 444 | 7 | 3 | 4 | 4.1 | C[C@H](NC(=O)c1cccc2c1N(Cc1ccc(C(=O)O)cc1)CC2)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2010.10.106 | |||
72695027 | 106264 | 0 | None | 28 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 396 | 8 | 2 | 4 | 3.5 | C[C@H](NC(=O)[C@H]1CCCCN1CCOc1ccccc1)c1ccc(C(=O)O)cc1 | nan | |||
CHEMBL3115074 | 106264 | 0 | None | 28 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 396 | 8 | 2 | 4 | 3.5 | C[C@H](NC(=O)[C@H]1CCCCN1CCOc1ccccc1)c1ccc(C(=O)O)cc1 | nan | |||
CHEMBL3138992 | 106264 | 0 | None | 28 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 396 | 8 | 2 | 4 | 3.5 | C[C@H](NC(=O)[C@H]1CCCCN1CCOc1ccccc1)c1ccc(C(=O)O)cc1 | nan | |||
53322687 | 56868 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 405 | 5 | 1 | 5 | 4.2 | Cc1cc(C)c2sc(C(=O)N(C)C)c(-c3ccc(CCc4nn[nH]n4)cc3)c2c1 | 10.1016/j.bmcl.2010.11.118 | |||
CHEMBL1644000 | 56868 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 405 | 5 | 1 | 5 | 4.2 | Cc1cc(C)c2sc(C(=O)N(C)C)c(-c3ccc(CCc4nn[nH]n4)cc3)c2c1 | 10.1016/j.bmcl.2010.11.118 | |||
46887090 | 8551 | 0 | None | -81 | 3 | Mouse | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 503 | 12 | 2 | 4 | 6.4 | COc1ccccc1OCc1ccc(CCC(=O)O)c(C(=O)N[C@H](CC(C)C)c2cc(C)cc(C)c2)c1 | 10.1016/j.bmc.2010.03.028 | |||
CHEMBL1094470 | 8551 | 0 | None | -81 | 3 | Mouse | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 503 | 12 | 2 | 4 | 6.4 | COc1ccccc1OCc1ccc(CCC(=O)O)c(C(=O)N[C@H](CC(C)C)c2cc(C)cc(C)c2)c1 | 10.1016/j.bmc.2010.03.028 | |||
52947847 | 16536 | 0 | None | -3 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 768 | 16 | 2 | 4 | 11.9 | Cc1cccc(/C=C/Cc2ccc(/C=C/C(=O)O)cc2)c1OCc1ccccc1.Cc1cccc(C/C=C\c2ccc(/C=C/C(=O)O)cc2)c1OCc1ccccc1 | 10.1016/j.bmcl.2004.11.051 | |||
CHEMBL1237300 | 16536 | 0 | None | -3 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 768 | 16 | 2 | 4 | 11.9 | Cc1cccc(/C=C/Cc2ccc(/C=C/C(=O)O)cc2)c1OCc1ccccc1.Cc1cccc(C/C=C\c2ccc(/C=C/C(=O)O)cc2)c1OCc1ccccc1 | 10.1016/j.bmcl.2004.11.051 | |||
15948558 | 97429 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 657 | 11 | 1 | 8 | 5.6 | CCOc1c2c(c(OCC)c3ncccc13)CN(c1ccc(CS(=O)(=O)NC(=O)Cc3ccccc3OC(F)(F)F)cc1C)C2=O | 10.1016/j.bmcl.2008.01.103 | |||
CHEMBL269987 | 97429 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 657 | 11 | 1 | 8 | 5.6 | CCOc1c2c(c(OCC)c3ncccc13)CN(c1ccc(CS(=O)(=O)NC(=O)Cc3ccccc3OC(F)(F)F)cc1C)C2=O | 10.1016/j.bmcl.2008.01.103 | |||
24765769 | 6844 | 0 | None | 7 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 446 | 6 | 2 | 3 | 5.8 | Cc1cc2cccc(C(=O)N[C@@H](C)c3ccc(C(=O)O)cc3)c2n1Cc1cccc(Cl)c1 | 10.1016/j.bmcl.2010.04.065 | |||
CHEMBL1084047 | 6844 | 0 | None | 7 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 446 | 6 | 2 | 3 | 5.8 | Cc1cc2cccc(C(=O)N[C@@H](C)c3ccc(C(=O)O)cc3)c2n1Cc1cccc(Cl)c1 | 10.1016/j.bmcl.2010.04.065 | |||
10204257 | 94167 | 0 | None | 104 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 450 | 9 | 2 | 4 | 3.4 | O=C(O)c1ccc(CCN2C(=O)CCN2CCC(O)Cc2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2007.09.074 | |||
CHEMBL249540 | 94167 | 0 | None | 104 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 450 | 9 | 2 | 4 | 3.4 | O=C(O)c1ccc(CCN2C(=O)CCN2CCC(O)Cc2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2007.09.074 | |||
52943002 | 16537 | 0 | None | -2 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 716 | 14 | 2 | 4 | 11.1 | Cc1cccc(/C=C\Cc2ccccc2C(=O)O)c1OCc1ccccc1.Cc1cccc(C/C=C/c2ccccc2C(=O)O)c1OCc1ccccc1 | 10.1016/j.bmcl.2004.11.051 | |||
CHEMBL1237301 | 16537 | 0 | None | -2 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 716 | 14 | 2 | 4 | 11.1 | Cc1cccc(/C=C\Cc2ccccc2C(=O)O)c1OCc1ccccc1.Cc1cccc(C/C=C/c2ccccc2C(=O)O)c1OCc1ccccc1 | 10.1016/j.bmcl.2004.11.051 | |||
72695136 | 131333 | 2 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 383 | 4 | 3 | 5 | 2.9 | Cc1ccc(N2CCC(O)CC2)nc1C(=O)Nc1c(C)cc(C(=O)O)cc1C | 10.1016/j.bmcl.2016.03.041 | |||
CHEMBL3686863 | 131333 | 2 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 383 | 4 | 3 | 5 | 2.9 | Cc1ccc(N2CCC(O)CC2)nc1C(=O)Nc1c(C)cc(C(=O)O)cc1C | 10.1016/j.bmcl.2016.03.041 | |||
118517488 | 153709 | 0 | None | 56 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 414 | 8 | 2 | 3 | 4.4 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2cccc(F)c2F)cc1 | nan | |||
CHEMBL3981554 | 153709 | 0 | None | 56 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 414 | 8 | 2 | 3 | 4.4 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2cccc(F)c2F)cc1 | nan | |||
10205205 | 94166 | 0 | None | 47 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 466 | 10 | 2 | 5 | 3.3 | O=C(O)c1ccc(CCN2C(=O)CCN2CCC(O)Cc2cccc(OC(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2007.09.074 | |||
CHEMBL249539 | 94166 | 0 | None | 47 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 466 | 10 | 2 | 5 | 3.3 | O=C(O)c1ccc(CCN2C(=O)CCN2CCC(O)Cc2cccc(OC(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2007.09.074 | |||
52941778 | 16540 | 0 | None | -9 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 712 | 14 | 2 | 4 | 11.7 | O=C(O)/C=C/c1ccccc1/C=C/Cc1ccccc1Oc1ccccc1.O=C(O)/C=C/c1ccccc1C/C=C\c1ccccc1Oc1ccccc1 | 10.1016/j.bmcl.2004.11.051 | |||
CHEMBL1237304 | 16540 | 0 | None | -9 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 712 | 14 | 2 | 4 | 11.7 | O=C(O)/C=C/c1ccccc1/C=C/Cc1ccccc1Oc1ccccc1.O=C(O)/C=C/c1ccccc1C/C=C\c1ccccc1Oc1ccccc1 | 10.1016/j.bmcl.2004.11.051 | |||
13230981 | 35065 | 0 | None | 69 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 339 | 13 | 2 | 3 | 3.5 | CCCCCC(O)/C=C/[C@H]1CCC(=O)N1CCCCCCC(=O)O | 10.1016/s0960-894x(03)00042-8 | |||
CHEMBL14334 | 35065 | 0 | None | 69 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 339 | 13 | 2 | 3 | 3.5 | CCCCCC(O)/C=C/[C@H]1CCC(=O)N1CCCCCCC(=O)O | 10.1016/s0960-894x(03)00042-8 | |||
44303709 | 203198 | 0 | None | 70 | 3 | Mouse | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 470 | 13 | 3 | 7 | 3.3 | CSCc1cccc(C[C@H](O)/C=C/[C@H]2[C@H](O)CC(=O)[C@@H]2SCCCSCC(=O)O)c1 | 10.1016/s0960-894x(01)00364-x | |||
CHEMBL64338 | 203198 | 0 | None | 70 | 3 | Mouse | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 470 | 13 | 3 | 7 | 3.3 | CSCc1cccc(C[C@H](O)/C=C/[C@H]2[C@H](O)CC(=O)[C@@H]2SCCCSCC(=O)O)c1 | 10.1016/s0960-894x(01)00364-x | |||
11577792 | 159316 | 19 | None | -5 | 5 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 414 | 6 | 2 | 4 | 4.9 | C[C@H](NC(=O)c1cc(Cl)cnc1Oc1cccc(F)c1)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2017.01.067 | |||
CHEMBL4099851 | 159316 | 19 | None | -5 | 5 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 414 | 6 | 2 | 4 | 4.9 | C[C@H](NC(=O)c1cc(Cl)cnc1Oc1cccc(F)c1)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2017.01.067 | |||
44269544 | 35250 | 0 | None | 7762 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 359 | 11 | 2 | 3 | 3.2 | O=C(O)CCCCCCN1C(=O)CC[C@@H]1/C=C/C(O)Cc1ccccc1 | 10.1016/j.bmcl.2004.01.063 | |||
CHEMBL14359 | 35250 | 0 | None | 7762 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 359 | 11 | 2 | 3 | 3.2 | O=C(O)CCCCCCN1C(=O)CC[C@@H]1/C=C/C(O)Cc1ccccc1 | 10.1016/j.bmcl.2004.01.063 | |||
44290272 | 101441 | 0 | None | 6760 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 455 | 11 | 2 | 3 | 5.6 | O=C(O)CCCCCCN1C(=O)CC[C@@H]1/C=C/C(O)c1cccc(-c2ccccc2Cl)c1 | 10.1016/j.bmcl.2004.01.063 | |||
CHEMBL297578 | 101441 | 0 | None | 6760 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 455 | 11 | 2 | 3 | 5.6 | O=C(O)CCCCCCN1C(=O)CC[C@@H]1/C=C/C(O)c1cccc(-c2ccccc2Cl)c1 | 10.1016/j.bmcl.2004.01.063 | |||
24952577 | 200559 | 0 | None | 2 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 399 | 6 | 2 | 3 | 5.2 | C[C@H](NC(=O)c1cscc1Cc1cccc(Cl)c1)c1ccc(C(=O)O)cc1 | 10.1021/jm901771h | |||
CHEMBL599051 | 200559 | 0 | None | 2 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 399 | 6 | 2 | 3 | 5.2 | C[C@H](NC(=O)c1cscc1Cc1cccc(Cl)c1)c1ccc(C(=O)O)cc1 | 10.1021/jm901771h | |||
53323177 | 56873 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 569 | 7 | 2 | 5 | 5.8 | Cc1cc(C)c2sc(C(=O)N(C)C)c(-c3ccc(CCNC(=O)NS(=O)(=O)c4ccccc4Cl)cc3)c2c1 | 10.1016/j.bmcl.2010.11.118 | |||
CHEMBL1644005 | 56873 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 569 | 7 | 2 | 5 | 5.8 | Cc1cc(C)c2sc(C(=O)N(C)C)c(-c3ccc(CCNC(=O)NS(=O)(=O)c4ccccc4Cl)cc3)c2c1 | 10.1016/j.bmcl.2010.11.118 | |||
23660845 | 57110 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 546 | 6 | 2 | 3 | 6.2 | C[C@H](NC(=O)c1cccc2c1N(Cc1ccc(C(F)(F)F)cc1Br)CC2)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2010.10.106 | |||
CHEMBL1645149 | 57110 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 546 | 6 | 2 | 3 | 6.2 | C[C@H](NC(=O)c1cccc2c1N(Cc1ccc(C(F)(F)F)cc1Br)CC2)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2010.10.106 | |||
118191081 | 136572 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 395 | 4 | 2 | 2 | 6.1 | Cc1ccc(C(=O)O)c(C)c1NC(=O)c1cc(-c2ccccc2)cc2ccccc12 | 10.1016/j.bmcl.2015.11.023 | |||
CHEMBL3739435 | 136572 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 395 | 4 | 2 | 2 | 6.1 | Cc1ccc(C(=O)O)c(C)c1NC(=O)c1cc(-c2ccccc2)cc2ccccc12 | 10.1016/j.bmcl.2015.11.023 | |||
10109445 | 85141 | 0 | None | 537 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 365 | 10 | 2 | 4 | 3.5 | CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)N1CCc1ccc(C(=O)O)s1 | 10.1021/jm049290a | |||
CHEMBL224970 | 85141 | 0 | None | 537 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 365 | 10 | 2 | 4 | 3.5 | CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)N1CCc1ccc(C(=O)O)s1 | 10.1021/jm049290a | |||
44453657 | 155382 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 562 | 10 | 1 | 8 | 3.9 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CS(=O)(=O)NC(=O)Cn3nccc3C)cc1)C2 | 10.1016/j.bmcl.2008.01.103 | |||
CHEMBL403492 | 155382 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 562 | 10 | 1 | 8 | 3.9 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CS(=O)(=O)NC(=O)Cn3nccc3C)cc1)C2 | 10.1016/j.bmcl.2008.01.103 | |||
18444558 | 110718 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 352 | 5 | 1 | 5 | 4.3 | Cc1oc(C(=O)O)cc1COc1ccc(-c2ccc3c(c2)OCO3)cc1 | 10.1016/j.bmcl.2014.02.068 | |||
CHEMBL3260441 | 110718 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 352 | 5 | 1 | 5 | 4.3 | Cc1oc(C(=O)O)cc1COc1ccc(-c2ccc3c(c2)OCO3)cc1 | 10.1016/j.bmcl.2014.02.068 | |||
10051189 | 8587 | 0 | None | -1258 | 2 | Mouse | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 488 | 11 | 2 | 4 | 6.1 | Cc1cc(C)cc([C@@H](CC(C)C)NC(=O)c2cc(COc3ccc(C)nc3)ccc2CCC(=O)O)c1 | 10.1016/j.bmc.2010.03.028 | |||
CHEMBL1094789 | 8587 | 0 | None | -1258 | 2 | Mouse | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 488 | 11 | 2 | 4 | 6.1 | Cc1cc(C)cc([C@@H](CC(C)C)NC(=O)c2cc(COc3ccc(C)nc3)ccc2CCC(=O)O)c1 | 10.1016/j.bmc.2010.03.028 | |||
9873528 | 206928 | 0 | None | -39 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 602 | 7 | 1 | 5 | 6.9 | O=C(NS(=O)(=O)c1ccccc1-c1ccc(CN2C(=O)c3ccccc3CCc3ccccc32)cc1)OCc1ccccc1 | 10.1016/s0960-894x(99)00465-5 | |||
CHEMBL91063 | 206928 | 0 | None | -39 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 602 | 7 | 1 | 5 | 6.9 | O=C(NS(=O)(=O)c1ccccc1-c1ccc(CN2C(=O)c3ccccc3CCc3ccccc32)cc1)OCc1ccccc1 | 10.1016/s0960-894x(99)00465-5 | |||
9944231 | 18033 | 0 | None | -7 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 302 | 5 | 1 | 1 | 5.0 | O=C(O)CCc1ccccc1-c1cccc(-c2ccccc2)c1 | 10.1016/s0960-894x(03)00794-7 | |||
CHEMBL126472 | 18033 | 0 | None | -7 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 302 | 5 | 1 | 1 | 5.0 | O=C(O)CCc1ccccc1-c1cccc(-c2ccccc2)c1 | 10.1016/s0960-894x(03)00794-7 | |||
44444714 | 94136 | 0 | None | -2 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 362 | 10 | 2 | 4 | 2.6 | CCCC(C)C(O)CCN1CCC(=O)N1CCc1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2007.09.074 | |||
CHEMBL249341 | 94136 | 0 | None | -2 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 362 | 10 | 2 | 4 | 2.6 | CCCC(C)C(O)CCN1CCC(=O)N1CCc1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2007.09.074 | |||
118517454 | 154219 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 468 | 8 | 2 | 4 | 5.9 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2sc3ccccc3c2Cl)cc1 | nan | |||
CHEMBL3986027 | 154219 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 468 | 8 | 2 | 4 | 5.9 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2sc3ccccc3c2Cl)cc1 | nan | |||
52945294 | 16545 | 0 | None | -77 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 800 | 18 | 2 | 6 | 11.3 | COc1cc(/C=C\Cc2ccccc2/C=C/C(=O)O)ccc1OCc1ccccc1.COc1cc(C/C=C/c2ccccc2/C=C/C(=O)O)ccc1OCc1ccccc1 | 10.1016/j.bmcl.2004.11.051 | |||
CHEMBL1237317 | 16545 | 0 | None | -77 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 800 | 18 | 2 | 6 | 11.3 | COc1cc(/C=C\Cc2ccccc2/C=C/C(=O)O)ccc1OCc1ccccc1.COc1cc(C/C=C/c2ccccc2/C=C/C(=O)O)ccc1OCc1ccccc1 | 10.1016/j.bmcl.2004.11.051 | |||
52945294 | 16545 | 0 | None | -77 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 800 | 18 | 2 | 6 | 11.3 | COc1cc(/C=C\Cc2ccccc2/C=C/C(=O)O)ccc1OCc1ccccc1.COc1cc(C/C=C/c2ccccc2/C=C/C(=O)O)ccc1OCc1ccccc1 | 10.1016/j.bmcl.2006.08.025 | |||
CHEMBL1237317 | 16545 | 0 | None | -77 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 800 | 18 | 2 | 6 | 11.3 | COc1cc(/C=C\Cc2ccccc2/C=C/C(=O)O)ccc1OCc1ccccc1.COc1cc(C/C=C/c2ccccc2/C=C/C(=O)O)ccc1OCc1ccccc1 | 10.1016/j.bmcl.2006.08.025 | |||
10111602 | 83226 | 0 | None | -77 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 400 | 9 | 1 | 3 | 5.6 | COc1cc(/C=C/Cc2ccccc2/C=C/C(=O)O)ccc1OCc1ccccc1 | 10.1016/j.bmcl.2006.08.025 | |||
CHEMBL218626 | 83226 | 0 | None | -77 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 400 | 9 | 1 | 3 | 5.6 | COc1cc(/C=C/Cc2ccccc2/C=C/C(=O)O)ccc1OCc1ccccc1 | 10.1016/j.bmcl.2006.08.025 | |||
44269568 | 98798 | 0 | None | 169 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 387 | 11 | 2 | 3 | 3.9 | CC(C)(c1ccccc1)C(O)/C=C/[C@H]1CCC(=O)N1CCCCCCC(=O)O | 10.1016/s0960-894x(03)00042-8 | |||
CHEMBL278451 | 98798 | 0 | None | 169 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 387 | 11 | 2 | 3 | 3.9 | CC(C)(c1ccccc1)C(O)/C=C/[C@H]1CCC(=O)N1CCCCCCC(=O)O | 10.1016/s0960-894x(03)00042-8 | |||
11155228 | 66104 | 0 | None | -204 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 452 | 8 | 1 | 2 | 7.2 | Cc1cccc(/C=C/Cc2ccccc2/C=C/C(=O)O)c1OCc1c(Cl)cccc1Cl | 10.1016/j.bmcl.2004.11.051 | |||
CHEMBL183919 | 66104 | 0 | None | -204 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 452 | 8 | 1 | 2 | 7.2 | Cc1cccc(/C=C/Cc2ccccc2/C=C/C(=O)O)c1OCc1c(Cl)cccc1Cl | 10.1016/j.bmcl.2004.11.051 | |||
44419347 | 82773 | 0 | None | -204 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 452 | 8 | 1 | 2 | 7.2 | Cc1ccc(OCc2c(Cl)cccc2Cl)c(/C=C/Cc2ccccc2/C=C/C(=O)O)c1 | 10.1016/j.bmcl.2006.08.025 | |||
CHEMBL217988 | 82773 | 0 | None | -204 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 452 | 8 | 1 | 2 | 7.2 | Cc1ccc(OCc2c(Cl)cccc2Cl)c(/C=C/Cc2ccccc2/C=C/C(=O)O)c1 | 10.1016/j.bmcl.2006.08.025 | |||
52947852 | 16544 | 0 | None | -91 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 588 | 12 | 2 | 4 | 8.1 | COc1ccc(/C=C/Cc2ccccc2/C=C/C(=O)O)cc1.COc1ccc(C/C=C/c2ccccc2/C=C/C(=O)O)cc1 | 10.1016/j.bmcl.2004.11.051 | |||
CHEMBL1237316 | 16544 | 0 | None | -91 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 588 | 12 | 2 | 4 | 8.1 | COc1ccc(/C=C/Cc2ccccc2/C=C/C(=O)O)cc1.COc1ccc(C/C=C/c2ccccc2/C=C/C(=O)O)cc1 | 10.1016/j.bmcl.2004.11.051 | |||
52947852 | 16544 | 0 | None | -91 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 588 | 12 | 2 | 4 | 8.1 | COc1ccc(/C=C/Cc2ccccc2/C=C/C(=O)O)cc1.COc1ccc(C/C=C/c2ccccc2/C=C/C(=O)O)cc1 | 10.1016/j.bmcl.2006.08.025 | |||
CHEMBL1237316 | 16544 | 0 | None | -91 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 588 | 12 | 2 | 4 | 8.1 | COc1ccc(/C=C/Cc2ccccc2/C=C/C(=O)O)cc1.COc1ccc(C/C=C/c2ccccc2/C=C/C(=O)O)cc1 | 10.1016/j.bmcl.2006.08.025 | |||
44419388 | 83413 | 0 | None | -91 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 294 | 6 | 1 | 2 | 4.0 | COc1ccc(/C=C/Cc2ccccc2/C=C/C(=O)O)cc1 | 10.1016/j.bmcl.2006.08.025 | |||
CHEMBL219590 | 83413 | 0 | None | -91 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 294 | 6 | 1 | 2 | 4.0 | COc1ccc(/C=C/Cc2ccccc2/C=C/C(=O)O)cc1 | 10.1016/j.bmcl.2006.08.025 | |||
23017295 | 201412 | 0 | None | -3981 | 2 | Mouse | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 477 | 11 | 2 | 3 | 6.2 | Cc1cc(C(CC(C)C)NC(=O)c2cc(COc3ccccc3)ccc2CCC(=O)O)ccc1F | 10.1016/j.bmc.2009.12.068 | |||
CHEMBL604708 | 201412 | 0 | None | -3981 | 2 | Mouse | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 477 | 11 | 2 | 3 | 6.2 | Cc1cc(C(CC(C)C)NC(=O)c2cc(COc3ccccc3)ccc2CCC(=O)O)ccc1F | 10.1016/j.bmc.2009.12.068 | |||
10181299 | 164975 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 433 | 9 | 1 | 4 | 5.2 | CCCOc1c2c(c(OCCC)c3ccccc13)C(=O)N(c1ccc(CC(=O)O)cc1)C2 | 10.1016/j.bmcl.2018.03.091 | |||
CHEMBL4225442 | 164975 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 433 | 9 | 1 | 4 | 5.2 | CCCOc1c2c(c(OCCC)c3ccccc13)C(=O)N(c1ccc(CC(=O)O)cc1)C2 | 10.1016/j.bmcl.2018.03.091 | |||
21079276 | 165079 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 391 | 7 | 1 | 4 | 4.8 | CCOc1c2c(c(OCC)c3ccccc13)CN(c1ccc(CC(=O)O)cc1)C2 | 10.1016/j.bmcl.2018.03.091 | |||
CHEMBL4226984 | 165079 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 391 | 7 | 1 | 4 | 4.8 | CCOc1c2c(c(OCC)c3ccccc13)CN(c1ccc(CC(=O)O)cc1)C2 | 10.1016/j.bmcl.2018.03.091 | |||
10157810 | 63785 | 0 | None | -3 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 400 | 9 | 1 | 3 | 5.6 | COc1cc(C/C=C/c2ccccc2/C=C/C(=O)O)ccc1OCc1ccccc1 | 10.1021/ml300191g | |||
CHEMBL180191 | 63785 | 0 | None | -3 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 400 | 9 | 1 | 3 | 5.6 | COc1cc(C/C=C/c2ccccc2/C=C/C(=O)O)ccc1OCc1ccccc1 | 10.1021/ml300191g | |||
53321854 | 56865 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 378 | 4 | 1 | 6 | 4.1 | COC(=O)c1sc2c(C)cc(C)cc2c1-c1ccc(Cc2nn[nH]n2)cc1 | 10.1016/j.bmcl.2010.11.118 | |||
CHEMBL1643997 | 56865 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 378 | 4 | 1 | 6 | 4.1 | COC(=O)c1sc2c(C)cc(C)cc2c1-c1ccc(Cc2nn[nH]n2)cc1 | 10.1016/j.bmcl.2010.11.118 | |||
118517483 | 144269 | 0 | None | 93 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 396 | 8 | 2 | 3 | 4.2 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2ccccc2F)cc1 | nan | |||
CHEMBL3904946 | 144269 | 0 | None | 93 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 396 | 8 | 2 | 3 | 4.2 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2ccccc2F)cc1 | nan | |||
10158725 | 16826 | 0 | None | -28 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 414 | 8 | 1 | 3 | 6.7 | O=C(O)CCc1ccccc1-c1csc(-c2ccccc2OCc2ccccc2)c1 | 10.1016/s0960-894x(03)00794-7 | |||
CHEMBL124738 | 16826 | 0 | None | -28 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 414 | 8 | 1 | 3 | 6.7 | O=C(O)CCc1ccccc1-c1csc(-c2ccccc2OCc2ccccc2)c1 | 10.1016/s0960-894x(03)00794-7 | |||
53323178 | 56876 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 521 | 7 | 3 | 5 | 4.8 | Cc1ccc(S(=O)(=O)NC(=O)NCCc2ccc(-c3c(C(N)=O)sc4c(C)cc(C)cc34)cc2)cc1 | 10.1016/j.bmcl.2010.11.118 | |||
CHEMBL1644008 | 56876 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 521 | 7 | 3 | 5 | 4.8 | Cc1ccc(S(=O)(=O)NC(=O)NCCc2ccc(-c3c(C(N)=O)sc4c(C)cc(C)cc34)cc2)cc1 | 10.1016/j.bmcl.2010.11.118 | |||
24765153 | 184527 | 0 | None | -10232 | 8 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 434 | 5 | 1 | 4 | 6.6 | CC(C)c1nccc2c1c(Sc1ccc(Cl)c(Cl)c1)c1n2CC[C@H]1CC(=O)O | 10.1016/j.bmcl.2009.03.010 | |||
CHEMBL484778 | 184527 | 0 | None | -10232 | 8 | Human | 5.2 | pKi | = | 5.2 | 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 | |||
44269532 | 167613 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 401 | 11 | 2 | 6 | 2.4 | O=C1CC[C@H](/C=C/C(O)Cc2ccccc2)N1CCCCSCc1nn[nH]n1 | 10.1016/s0960-894x(03)00042-8 | |||
CHEMBL430121 | 167613 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 401 | 11 | 2 | 6 | 2.4 | O=C1CC[C@H](/C=C/C(O)Cc2ccccc2)N1CCCCSCc1nn[nH]n1 | 10.1016/s0960-894x(03)00042-8 | |||
15948674 | 95210 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 573 | 10 | 1 | 7 | 4.7 | CCOc1c2c(c(OCC)c3ncccc13)C(=O)N(c1ccc(CS(=O)(=O)NC(=O)Cc3ccccc3)cc1C)C2 | 10.1016/j.bmcl.2008.01.103 | |||
CHEMBL256005 | 95210 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 573 | 10 | 1 | 7 | 4.7 | CCOc1c2c(c(OCC)c3ncccc13)C(=O)N(c1ccc(CS(=O)(=O)NC(=O)Cc3ccccc3)cc1C)C2 | 10.1016/j.bmcl.2008.01.103 | |||
11488860 | 19289 | 0 | None | -15488 | 8 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 497 | 5 | 1 | 4 | 5.7 | C[C@@H](c1ccc(C(F)(F)F)cc1)n1c2c(c3cc(F)cc(S(C)(=O)=O)c31)CCC[C@@H]2CC(=O)O | 10.1016/j.bmcl.2010.10.018 | |||
CHEMBL1290413 | 19289 | 0 | None | -15488 | 8 | Human | 5.2 | pKi | = | 5.2 | 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 | |||
10294290 | 200051 | 0 | None | -56 | 4 | Mouse | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 398 | 8 | 1 | 4 | 4.8 | O=C(O)/C=C/c1ccc(Cn2cccn2)cc1OCCc1ccc2ccccc2c1 | 10.1016/j.bmc.2009.08.007 | |||
CHEMBL595632 | 200051 | 0 | None | -56 | 4 | Mouse | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 398 | 8 | 1 | 4 | 4.8 | O=C(O)/C=C/c1ccc(Cn2cccn2)cc1OCCc1ccc2ccccc2c1 | 10.1016/j.bmc.2009.08.007 | |||
56672019 | 64812 | 0 | None | -81 | 4 | Mouse | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 460 | 7 | 2 | 5 | 4.5 | Cc1cc(CC(=O)O)cc(NC(=O)c2ccc(OC[C@@H]3CN(C)c4ccccc4O3)cc2C)c1 | 10.1016/j.bmc.2011.08.007 | |||
CHEMBL1819612 | 64812 | 0 | None | -81 | 4 | Mouse | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 460 | 7 | 2 | 5 | 4.5 | Cc1cc(CC(=O)O)cc(NC(=O)c2ccc(OC[C@@H]3CN(C)c4ccccc4O3)cc2C)c1 | 10.1016/j.bmc.2011.08.007 | |||
44219292 | 112580 | 38 | None | -223 | 7 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 431 | 8 | 1 | 4 | 5.5 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2ccc(Cl)cc2)CC1 | 10.1021/acs.jmedchem.6b00871 | |||
CHEMBL3301604 | 112580 | 38 | None | -223 | 7 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 431 | 8 | 1 | 4 | 5.5 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2ccc(Cl)cc2)CC1 | 10.1021/acs.jmedchem.6b00871 | |||
CHEMBL3919269 | 112580 | 38 | None | -223 | 7 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 431 | 8 | 1 | 4 | 5.5 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2ccc(Cl)cc2)CC1 | 10.1021/acs.jmedchem.6b00871 | |||
DB12462 | 112580 | 38 | None | -223 | 7 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 431 | 8 | 1 | 4 | 5.5 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2ccc(Cl)cc2)CC1 | 10.1021/acs.jmedchem.6b00871 | |||
10221497 | 94137 | 0 | None | 91 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 382 | 9 | 2 | 4 | 2.4 | O=C(O)c1ccc(CCN2C(=O)CCN2CCC(O)Cc2ccccc2)cc1 | 10.1016/j.bmcl.2007.09.074 | |||
CHEMBL249342 | 94137 | 0 | None | 91 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 382 | 9 | 2 | 4 | 2.4 | O=C(O)c1ccc(CCN2C(=O)CCN2CCC(O)Cc2ccccc2)cc1 | 10.1016/j.bmcl.2007.09.074 | |||
53325841 | 56884 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 452 | 5 | 1 | 4 | 6.0 | Cc1cc(C)c2sc(C(=O)N(C)C)c(-c3ccc(CCNC(=O)OC(C)(C)C)cc3)c2c1 | 10.1016/j.bmcl.2010.11.118 | |||
CHEMBL1644015 | 56884 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 452 | 5 | 1 | 4 | 6.0 | Cc1cc(C)c2sc(C(=O)N(C)C)c(-c3ccc(CCNC(=O)OC(C)(C)C)cc3)c2c1 | 10.1016/j.bmcl.2010.11.118 | |||
44320405 | 106163 | 0 | None | -1 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 521 | 11 | 1 | 5 | 6.2 | O=C(NS(=O)(=O)CCc1ccccc1-c1ccc(CSCCc2ccccc2)cc1)c1cccs1 | 10.1016/s0960-894x(02)00518-8 | |||
CHEMBL313700 | 106163 | 0 | None | -1 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 521 | 11 | 1 | 5 | 6.2 | O=C(NS(=O)(=O)CCc1ccccc1-c1ccc(CSCCc2ccccc2)cc1)c1cccs1 | 10.1016/s0960-894x(02)00518-8 | |||
15907748 | 111462 | 0 | None | -48 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 615 | 7 | 2 | 4 | 7.0 | C[C@H](NC(=O)NS(=O)(=O)c1ccccc1-c1ccc(CN2C(=O)c3ccccc3CCc3ccccc32)cc1)c1ccccc1 | 10.1016/s0960-894x(99)00465-5 | |||
CHEMBL327597 | 111462 | 0 | None | -48 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 615 | 7 | 2 | 4 | 7.0 | C[C@H](NC(=O)NS(=O)(=O)c1ccccc1-c1ccc(CN2C(=O)c3ccccc3CCc3ccccc32)cc1)c1ccccc1 | 10.1016/s0960-894x(99)00465-5 | |||
10159697 | 136431 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 429 | 11 | 2 | 4 | 3.0 | O=C(O)COCCCCN1C(=O)CC[C@@H]1/C=C/[C@@H](O)Cc1cccc(C(F)(F)F)c1 | 10.1021/jm049290a | |||
CHEMBL373558 | 136431 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 429 | 11 | 2 | 4 | 3.0 | O=C(O)COCCCCN1C(=O)CC[C@@H]1/C=C/[C@@H](O)Cc1cccc(C(F)(F)F)c1 | 10.1021/jm049290a | |||
5311232 | 2943 | 13 | None | -2 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 409 | 6 | 2 | 2 | 5.9 | O=C(C(c1cccc2c1cccc2)C)Nc1ccccc1Cc1ccccc1C(=O)O | 10.1016/j.bmcl.2014.02.068 | |||
5824 | 2943 | 13 | None | -2 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 409 | 6 | 2 | 2 | 5.9 | O=C(C(c1cccc2c1cccc2)C)Nc1ccccc1Cc1ccccc1C(=O)O | 10.1016/j.bmcl.2014.02.068 | |||
CHEMBL3260772 | 2943 | 13 | None | -2 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 409 | 6 | 2 | 2 | 5.9 | O=C(C(c1cccc2c1cccc2)C)Nc1ccccc1Cc1ccccc1C(=O)O | 10.1016/j.bmcl.2014.02.068 | |||
44304008 | 203240 | 0 | None | 18 | 4 | Mouse | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 410 | 11 | 3 | 6 | 2.4 | O=C(O)CSCCCS[C@H]1C(=O)C[C@@H](O)[C@@H]1/C=C/[C@@H](O)Cc1ccccc1 | 10.1016/s0960-894x(01)00364-x | |||
CHEMBL64542 | 203240 | 0 | None | 18 | 4 | Mouse | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 410 | 11 | 3 | 6 | 2.4 | O=C(O)CSCCCS[C@H]1C(=O)C[C@@H](O)[C@@H]1/C=C/[C@@H](O)Cc1ccccc1 | 10.1016/s0960-894x(01)00364-x | |||
44304051 | 102758 | 0 | None | 30 | 4 | Mouse | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 440 | 12 | 3 | 7 | 2.4 | COc1ccc(C[C@H](O)/C=C/[C@H]2[C@H](O)CC(=O)[C@@H]2SCCCSCC(=O)O)cc1 | 10.1016/s0960-894x(01)00364-x | |||
CHEMBL305126 | 102758 | 0 | None | 30 | 4 | Mouse | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 440 | 12 | 3 | 7 | 2.4 | COc1ccc(C[C@H](O)/C=C/[C@H]2[C@H](O)CC(=O)[C@@H]2SCCCSCC(=O)O)cc1 | 10.1016/s0960-894x(01)00364-x | |||
10410053 | 69356 | 0 | None | - | 1 | Mouse | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 423 | 13 | 2 | 6 | 2.7 | COCc1cccc(C[C@H](O)/C=C/[C@H]2COC(=O)N2CCSCCCC(=O)O)c1 | 10.1016/j.bmc.2011.12.009 | |||
CHEMBL1929538 | 69356 | 0 | None | - | 1 | Mouse | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 423 | 13 | 2 | 6 | 2.7 | COCc1cccc(C[C@H](O)/C=C/[C@H]2COC(=O)N2CCSCCCC(=O)O)c1 | 10.1016/j.bmc.2011.12.009 | |||
44304034 | 200592 | 0 | None | 10 | 3 | Mouse | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 424 | 11 | 3 | 6 | 2.7 | Cc1ccc(C[C@H](O)/C=C/[C@H]2[C@H](O)CC(=O)[C@@H]2SCCCSCC(=O)O)cc1 | 10.1016/s0960-894x(01)00364-x | |||
CHEMBL59921 | 200592 | 0 | None | 10 | 3 | Mouse | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 424 | 11 | 3 | 6 | 2.7 | Cc1ccc(C[C@H](O)/C=C/[C@H]2[C@H](O)CC(=O)[C@@H]2SCCCSCC(=O)O)cc1 | 10.1016/s0960-894x(01)00364-x | |||
24952926 | 132114 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 481 | 6 | 2 | 4 | 6.1 | C[C@H](NC(=O)c1c(Cl)sc(Cl)c1C(=O)c1cccc(Cl)c1)c1ccc(C(=O)O)cc1 | nan | |||
CHEMBL3695941 | 132114 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 481 | 6 | 2 | 4 | 6.1 | C[C@H](NC(=O)c1c(Cl)sc(Cl)c1C(=O)c1cccc(Cl)c1)c1ccc(C(=O)O)cc1 | nan | |||
44289968 | 100514 | 0 | None | 1621 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 415 | 11 | 2 | 3 | 4.5 | O=C(O)CCCCCCN1C(=O)CC[C@@H]1CC[C@@H](O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2004.01.063 | |||
CHEMBL291182 | 100514 | 0 | None | 1621 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 415 | 11 | 2 | 3 | 4.5 | O=C(O)CCCCCCN1C(=O)CC[C@@H]1CC[C@@H](O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2004.01.063 | |||
44289921 | 164369 | 0 | None | 2089 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 365 | 11 | 2 | 3 | 3.9 | O=C(O)CCCCCCN1C(=O)CC[C@@H]1/C=C/[C@@H](O)CC1CCCCC1 | 10.1016/j.bmcl.2004.01.063 | |||
CHEMBL42129 | 164369 | 0 | None | 2089 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 365 | 11 | 2 | 3 | 3.9 | O=C(O)CCCCCCN1C(=O)CC[C@@H]1/C=C/[C@@H](O)CC1CCCCC1 | 10.1016/j.bmcl.2004.01.063 | |||
23660505 | 57112 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 425 | 6 | 2 | 4 | 4.3 | C[C@H](NC(=O)c1cccc2c1N(Cc1cccc(C#N)c1)CC2)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2010.10.106 | |||
CHEMBL1645151 | 57112 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 425 | 6 | 2 | 4 | 4.3 | C[C@H](NC(=O)c1cccc2c1N(Cc1cccc(C#N)c1)CC2)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2010.10.106 | |||
44304335 | 202976 | 0 | None | 37 | 4 | Mouse | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 422 | 10 | 4 | 4 | 4.0 | Cc1cc(C[C@H](O)/C=C/[C@H]2[C@H](O)C[C@@H](Cl)[C@@H]2C/C=C/CCCC(=O)O)ccc1O | 10.1016/s0960-894x(01)00365-1 | |||
CHEMBL63061 | 202976 | 0 | None | 37 | 4 | Mouse | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 422 | 10 | 4 | 4 | 4.0 | Cc1cc(C[C@H](O)/C=C/[C@H]2[C@H](O)C[C@@H](Cl)[C@@H]2C/C=C/CCCC(=O)O)ccc1O | 10.1016/s0960-894x(01)00365-1 | |||
24952577 | 200559 | 0 | None | 2 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 399 | 6 | 2 | 3 | 5.2 | C[C@H](NC(=O)c1cscc1Cc1cccc(Cl)c1)c1ccc(C(=O)O)cc1 | nan | |||
CHEMBL599051 | 200559 | 0 | None | 2 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 399 | 6 | 2 | 3 | 5.2 | C[C@H](NC(=O)c1cscc1Cc1cccc(Cl)c1)c1ccc(C(=O)O)cc1 | nan | |||
44453997 | 155625 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 634 | 11 | 1 | 6 | 6.6 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CS(=O)(=O)NC(=O)C(c3ccccc3)c3ccccc3)cc1)C2 | 10.1016/j.bmcl.2008.01.103 | |||
CHEMBL404653 | 155625 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 634 | 11 | 1 | 6 | 6.6 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CS(=O)(=O)NC(=O)C(c3ccccc3)c3ccccc3)cc1)C2 | 10.1016/j.bmcl.2008.01.103 | |||
10092823 | 69349 | 0 | None | 301 | 3 | Mouse | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 407 | 12 | 2 | 5 | 3.1 | CCc1cccc(C[C@H](O)/C=C/[C@H]2COC(=O)N2CCSCCCC(=O)O)c1 | 10.1016/j.bmc.2011.12.009 | |||
CHEMBL1929531 | 69349 | 0 | None | 301 | 3 | Mouse | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 407 | 12 | 2 | 5 | 3.1 | CCc1cccc(C[C@H](O)/C=C/[C@H]2COC(=O)N2CCSCCCC(=O)O)c1 | 10.1016/j.bmc.2011.12.009 | |||
21362912 | 171173 | 0 | None | -3 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 535 | 12 | 1 | 5 | 6.7 | O=C(CCCc1ccccc1-c1ccc(CSCCc2ccccc2)cc1)NS(=O)(=O)c1cccs1 | 10.1016/s0960-894x(02)00518-8 | |||
CHEMBL445895 | 171173 | 0 | None | -3 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 535 | 12 | 1 | 5 | 6.7 | O=C(CCCc1ccccc1-c1ccc(CSCCc2ccccc2)cc1)NS(=O)(=O)c1cccs1 | 10.1016/s0960-894x(02)00518-8 | |||
9938669 | 168056 | 0 | None | -48 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 602 | 8 | 1 | 5 | 6.2 | O=C(COc1ccccc1)NS(=O)(=O)c1ccccc1-c1ccc(CN2C(=O)c3ccccc3CCc3ccccc32)cc1 | 10.1016/s0960-894x(99)00465-5 | |||
CHEMBL432380 | 168056 | 0 | None | -48 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 602 | 8 | 1 | 5 | 6.2 | O=C(COc1ccccc1)NS(=O)(=O)c1ccccc1-c1ccc(CN2C(=O)c3ccccc3CCc3ccccc32)cc1 | 10.1016/s0960-894x(99)00465-5 | |||
23017414 | 8256 | 0 | None | -4466 | 3 | Mouse | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 602 | 12 | 1 | 6 | 6.2 | O=C(CCc1ccc(COc2cccnc2)cc1OCCc1ccc2ccccc2c1)NS(=O)(=O)c1ccc(F)c(F)c1 | 10.1016/j.bmcl.2010.02.034 | |||
CHEMBL1092432 | 8256 | 0 | None | -4466 | 3 | Mouse | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 602 | 12 | 1 | 6 | 6.2 | O=C(CCc1ccc(COc2cccnc2)cc1OCCc1ccc2ccccc2c1)NS(=O)(=O)c1ccc(F)c(F)c1 | 10.1016/j.bmcl.2010.02.034 | |||
10168694 | 206347 | 0 | None | -446 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 671 | 17 | 1 | 7 | 8.2 | O=C(CCc1ccccc1-c1ccc(OCCCOc2cccc(CSCCc3ccccc3)c2)cc1)NS(=O)(=O)c1cccs1 | 10.1016/s0960-894x(02)00518-8 | |||
CHEMBL87366 | 206347 | 0 | None | -446 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 671 | 17 | 1 | 7 | 8.2 | O=C(CCc1ccccc1-c1ccc(OCCCOc2cccc(CSCCc3ccccc3)c2)cc1)NS(=O)(=O)c1cccs1 | 10.1016/s0960-894x(02)00518-8 | |||
46887091 | 8698 | 0 | None | -257 | 2 | Mouse | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 498 | 11 | 2 | 4 | 6.3 | Cc1cc(C)cc([C@@H](CC(C)C)NC(=O)c2cc(COc3cccc(C#N)c3)ccc2CCC(=O)O)c1 | 10.1016/j.bmc.2010.03.028 | |||
CHEMBL1095767 | 8698 | 0 | None | -257 | 2 | Mouse | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 498 | 11 | 2 | 4 | 6.3 | Cc1cc(C)cc([C@@H](CC(C)C)NC(=O)c2cc(COc3cccc(C#N)c3)ccc2CCC(=O)O)c1 | 10.1016/j.bmc.2010.03.028 | |||
11519006 | 102484 | 0 | None | -1174 | 6 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 481 | 8 | 1 | 5 | 6.1 | O=C(O)COc1cccc(C[C@@H]2CCC[C@H]3O[C@]23c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1 | 10.1016/j.bmcl.2005.04.076 | |||
CHEMBL2373410 | 102484 | 0 | None | -1174 | 6 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 481 | 8 | 1 | 5 | 6.1 | O=C(O)COc1cccc(C[C@@H]2CCC[C@H]3O[C@]23c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1 | 10.1016/j.bmcl.2005.04.076 | |||
CHEMBL3040272 | 102484 | 0 | None | -1174 | 6 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 481 | 8 | 1 | 5 | 6.1 | O=C(O)COc1cccc(C[C@@H]2CCC[C@H]3O[C@]23c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1 | 10.1016/j.bmcl.2005.04.076 | |||
58905358 | 159589 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 384 | 6 | 2 | 4 | 3.8 | O=C(O)c1ccc(CNC(=O)c2cc(F)cnc2Oc2ccc(F)cc2)cc1 | 10.1016/j.bmcl.2017.01.067 | |||
CHEMBL4103046 | 159589 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 384 | 6 | 2 | 4 | 3.8 | O=C(O)c1ccc(CNC(=O)c2cc(F)cnc2Oc2ccc(F)cc2)cc1 | 10.1016/j.bmcl.2017.01.067 | |||
44320126 | 206410 | 0 | None | -6 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 537 | 11 | 1 | 7 | 6.2 | Cc1cccc(OCCCOc2ccc(-c3ccccc3COC(=O)NS(=O)(=O)c3cccs3)cc2)c1 | 10.1016/s0960-894x(02)00518-8 | |||
CHEMBL87816 | 206410 | 0 | None | -6 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 537 | 11 | 1 | 7 | 6.2 | Cc1cccc(OCCCOc2ccc(-c3ccccc3COC(=O)NS(=O)(=O)c3cccs3)cc2)c1 | 10.1016/s0960-894x(02)00518-8 | |||
52944194 | 16541 | 0 | None | -57 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 936 | 18 | 4 | 6 | 12.8 | O=C(O)/C=C/c1ccccc1/C=C/Cc1cccc(CO)c1OCc1c(Cl)cccc1Cl.O=C(O)/C=C/c1ccccc1C/C=C/c1cccc(CO)c1OCc1c(Cl)cccc1Cl | 10.1016/j.bmcl.2004.11.051 | |||
CHEMBL1237305 | 16541 | 0 | None | -57 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 936 | 18 | 4 | 6 | 12.8 | O=C(O)/C=C/c1ccccc1/C=C/Cc1cccc(CO)c1OCc1c(Cl)cccc1Cl.O=C(O)/C=C/c1ccccc1C/C=C/c1cccc(CO)c1OCc1c(Cl)cccc1Cl | 10.1016/j.bmcl.2004.11.051 | |||
18444554 | 110715 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 338 | 6 | 1 | 4 | 4.5 | COc1cccc(-c2ccc(OCc3cc(C(=O)O)oc3C)cc2)c1 | 10.1016/j.bmcl.2014.02.068 | |||
CHEMBL3260438 | 110715 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 338 | 6 | 1 | 4 | 4.5 | COc1cccc(-c2ccc(OCc3cc(C(=O)O)oc3C)cc2)c1 | 10.1016/j.bmcl.2014.02.068 | |||
46887719 | 8542 | 0 | None | -186 | 2 | Mouse | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 473 | 11 | 2 | 3 | 6.4 | Cc1cc(C)cc([C@@H](CC(C)C)NC(=O)c2cc(COc3ccccc3)ccc2CCC(=O)O)c1 | 10.1016/j.bmc.2010.03.028 | |||
CHEMBL1094419 | 8542 | 0 | None | -186 | 2 | Mouse | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 473 | 11 | 2 | 3 | 6.4 | Cc1cc(C)cc([C@@H](CC(C)C)NC(=O)c2cc(COc3ccccc3)ccc2CCC(=O)O)c1 | 10.1016/j.bmc.2010.03.028 | |||
53320542 | 56881 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 557 | 7 | 2 | 5 | 5.1 | Cc1ccc(S(=O)(=O)NC(=O)NCCc2ccc(-c3c(C(=O)N(C)C)sc4c(F)cc(F)cc34)cc2)cc1 | 10.1016/j.bmcl.2010.11.118 | |||
CHEMBL1644012 | 56881 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 557 | 7 | 2 | 5 | 5.1 | Cc1ccc(S(=O)(=O)NC(=O)NCCc2ccc(-c3c(C(=O)N(C)C)sc4c(F)cc(F)cc34)cc2)cc1 | 10.1016/j.bmcl.2010.11.118 | |||
53318618 | 57107 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 401 | 6 | 2 | 4 | 3.8 | C[C@H](NC(=O)c1cccc2c1N(Cc1cccnc1)CC2)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2010.10.106 | |||
CHEMBL1645146 | 57107 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 401 | 6 | 2 | 4 | 3.8 | C[C@H](NC(=O)c1cccc2c1N(Cc1cccnc1)CC2)c1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2010.10.106 | |||
72695136 | 131333 | 2 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 383 | 4 | 3 | 5 | 2.9 | Cc1ccc(N2CCC(O)CC2)nc1C(=O)Nc1c(C)cc(C(=O)O)cc1C | nan | |||
CHEMBL3686863 | 131333 | 2 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 383 | 4 | 3 | 5 | 2.9 | Cc1ccc(N2CCC(O)CC2)nc1C(=O)Nc1c(C)cc(C(=O)O)cc1C | nan | |||
21362879 | 16566 | 0 | None | -28 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 414 | 8 | 1 | 3 | 6.7 | O=C(O)CCc1ccccc1-c1cc(-c2ccccc2OCc2ccccc2)cs1 | 10.1016/s0960-894x(03)00794-7 | |||
CHEMBL123855 | 16566 | 0 | None | -28 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 414 | 8 | 1 | 3 | 6.7 | O=C(O)CCc1ccccc1-c1cc(-c2ccccc2OCc2ccccc2)cs1 | 10.1016/s0960-894x(03)00794-7 | |||
23017557 | 200677 | 0 | None | -645 | 2 | Mouse | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 498 | 11 | 2 | 4 | 6.3 | Cc1cc(C)cc(C(CC(C)C)NC(=O)c2cc(COc3cccc(C#N)c3)ccc2CCC(=O)O)c1 | 10.1016/j.bmc.2009.12.068 | |||
CHEMBL599812 | 200677 | 0 | None | -645 | 2 | Mouse | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 498 | 11 | 2 | 4 | 6.3 | Cc1cc(C)cc(C(CC(C)C)NC(=O)c2cc(COc3cccc(C#N)c3)ccc2CCC(=O)O)c1 | 10.1016/j.bmc.2009.12.068 | |||
10271903 | 71301 | 0 | None | - | 1 | Mouse | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 393 | 8 | 2 | 3 | 3.3 | Cc1cccc(C[C@H](O)/C=C/[C@H]2CCC(=O)N2Cc2cccc(CC(=O)O)c2)c1 | 10.1016/j.bmc.2012.02.018 | |||
CHEMBL1957432 | 71301 | 0 | None | - | 1 | Mouse | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 393 | 8 | 2 | 3 | 3.3 | Cc1cccc(C[C@H](O)/C=C/[C@H]2CCC(=O)N2Cc2cccc(CC(=O)O)c2)c1 | 10.1016/j.bmc.2012.02.018 | |||
23017080 | 200240 | 0 | None | -4073 | 2 | Mouse | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 473 | 11 | 2 | 3 | 6.4 | Cc1cc(C)cc(C(CC(C)C)NC(=O)c2cc(COc3ccccc3)ccc2CCC(=O)O)c1 | 10.1016/j.bmc.2009.12.068 | |||
CHEMBL596956 | 200240 | 0 | None | -4073 | 2 | Mouse | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 473 | 11 | 2 | 3 | 6.4 | Cc1cc(C)cc(C(CC(C)C)NC(=O)c2cc(COc3ccccc3)ccc2CCC(=O)O)c1 | 10.1016/j.bmc.2009.12.068 | |||
9931112 | 164999 | 3 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 405 | 7 | 1 | 4 | 4.4 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC(=O)O)cc1)C2 | 10.1016/j.bmcl.2018.03.091 | |||
CHEMBL4225786 | 164999 | 3 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 405 | 7 | 1 | 4 | 4.4 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC(=O)O)cc1)C2 | 10.1016/j.bmcl.2018.03.091 | |||
46887058 | 8512 | 0 | None | -5011 | 3 | Mouse | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 507 | 11 | 2 | 3 | 7.1 | Cc1cc(C)cc([C@@H](CC(C)C)NC(=O)c2cc(COc3cccc(Cl)c3)ccc2CCC(=O)O)c1 | 10.1016/j.bmc.2010.03.028 | |||
CHEMBL1094156 | 8512 | 0 | None | -5011 | 3 | Mouse | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 507 | 11 | 2 | 3 | 7.1 | Cc1cc(C)cc([C@@H](CC(C)C)NC(=O)c2cc(COc3cccc(Cl)c3)ccc2CCC(=O)O)c1 | 10.1016/j.bmc.2010.03.028 | |||
10095268 | 86154 | 0 | None | -7079 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 449 | 6 | 1 | 3 | 6.8 | Cc1ccc(-n2c(C)ccc2-c2cc(Cl)ccc2OCc2ccc(F)cc2)cc1C(=O)O | 10.1016/j.bmcl.2006.11.059 | |||
CHEMBL231184 | 86154 | 0 | None | -7079 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 449 | 6 | 1 | 3 | 6.8 | Cc1ccc(-n2c(C)ccc2-c2cc(Cl)ccc2OCc2ccc(F)cc2)cc1C(=O)O | 10.1016/j.bmcl.2006.11.059 | |||
56834112 | 69345 | 0 | None | 1071 | 2 | Mouse | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 421 | 13 | 2 | 5 | 2.9 | COCc1cccc(C[C@H](O)/C=C/[C@H]2CCC(=O)N2CCSCCCC(=O)O)c1 | 10.1016/j.bmc.2011.12.009 | |||
CHEMBL1929527 | 69345 | 0 | None | 1071 | 2 | Mouse | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 421 | 13 | 2 | 5 | 2.9 | COCc1cccc(C[C@H](O)/C=C/[C@H]2CCC(=O)N2CCSCCCC(=O)O)c1 | 10.1016/j.bmc.2011.12.009 | |||
56944705 | 129211 | 41 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 483 | 7 | 2 | 5 | 5.4 | C[C@H](NC(=O)c1c(C(F)F)nn(C)c1Oc1cccc(C(F)(F)F)c1)c1ccc(C(=O)O)cc1 | nan | |||
CHEMBL3670685 | 129211 | 41 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 483 | 7 | 2 | 5 | 5.4 | C[C@H](NC(=O)c1c(C(F)F)nn(C)c1Oc1cccc(C(F)(F)F)c1)c1ccc(C(=O)O)cc1 | nan | |||
56944807 | 129213 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 495 | 7 | 2 | 5 | 5.3 | Cn1nc(C(F)F)c(C(=O)NC2(c3ccc(C(=O)O)cc3)CC2)c1Oc1cccc(C(F)(F)F)c1 | nan | |||
CHEMBL3670687 | 129213 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 495 | 7 | 2 | 5 | 5.3 | Cn1nc(C(F)F)c(C(=O)NC2(c3ccc(C(=O)O)cc3)CC2)c1Oc1cccc(C(F)(F)F)c1 | nan | |||
118191080 | 136861 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 395 | 4 | 2 | 2 | 6.1 | Cc1cc(C(=O)O)cc(C)c1NC(=O)c1cc(-c2ccccc2)cc2ccccc12 | 10.1016/j.bmcl.2015.11.023 | |||
CHEMBL3742015 | 136861 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 395 | 4 | 2 | 2 | 6.1 | Cc1cc(C(=O)O)cc(C)c1NC(=O)c1cc(-c2ccccc2)cc2ccccc12 | 10.1016/j.bmcl.2015.11.023 | |||
44290263 | 101327 | 0 | None | 3235 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 453 | 12 | 3 | 4 | 5.2 | Cc1cc(O)ccc1-c1cccc([C@H](O)CC[C@H]2CCC(=O)N2CCCCCCC(=O)O)c1 | 10.1016/j.bmcl.2004.01.063 | |||
CHEMBL296715 | 101327 | 0 | None | 3235 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 453 | 12 | 3 | 4 | 5.2 | Cc1cc(O)ccc1-c1cccc([C@H](O)CC[C@H]2CCC(=O)N2CCCCCCC(=O)O)c1 | 10.1016/j.bmcl.2004.01.063 | |||
11295611 | 67592 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 537 | 16 | 4 | 6 | 4.4 | O=C(O)CCCCCNC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NC(=O)c1cc2ccccc2o1 | 10.1021/jm050085k | |||
CHEMBL190185 | 67592 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 537 | 16 | 4 | 6 | 4.4 | O=C(O)CCCCCNC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NC(=O)c1cc2ccccc2o1 | 10.1021/jm050085k | |||
44303590 | 202909 | 0 | None | 354 | 3 | Mouse | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 468 | 14 | 3 | 7 | 2.6 | COCCc1cccc(C[C@H](O)/C=C/[C@H]2[C@H](O)CC(=O)[C@@H]2SCCCSCC(=O)O)c1 | 10.1016/s0960-894x(01)00364-x | |||
CHEMBL62779 | 202909 | 0 | None | 354 | 3 | Mouse | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 468 | 14 | 3 | 7 | 2.6 | COCCc1cccc(C[C@H](O)/C=C/[C@H]2[C@H](O)CC(=O)[C@@H]2SCCCSCC(=O)O)c1 | 10.1016/s0960-894x(01)00364-x | |||
44304334 | 201574 | 0 | None | -4 | 5 | Mouse | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 372 | 13 | 3 | 5 | 3.0 | CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CSCCCCC(=O)O | 10.1016/s0960-894x(01)00365-1 | |||
CHEMBL60555 | 201574 | 0 | None | -4 | 5 | Mouse | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 372 | 13 | 3 | 5 | 3.0 | CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CSCCCCC(=O)O | 10.1016/s0960-894x(01)00365-1 | |||
53321855 | 56882 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 623 | 7 | 2 | 5 | 6.5 | Cc1ccc(S(=O)(=O)NC(=O)NCCc2ccc(-c3c(C(=O)N(C)C)sc4c(Cl)cc(C(F)(F)F)cc34)cc2)cc1 | 10.1016/j.bmcl.2010.11.118 | |||
CHEMBL1644013 | 56882 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 623 | 7 | 2 | 5 | 6.5 | Cc1ccc(S(=O)(=O)NC(=O)NCCc2ccc(-c3c(C(=O)N(C)C)sc4c(Cl)cc(C(F)(F)F)cc34)cc2)cc1 | 10.1016/j.bmcl.2010.11.118 | |||
15947546 | 95190 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 617 | 12 | 1 | 8 | 5.1 | CCOc1ccccc1CC(=O)NS(=O)(=O)Cc1ccc(N2Cc3c(c(OCC)c4cccnc4c3OCC)C2=O)c(C)c1 | 10.1016/j.bmcl.2008.01.103 | |||
CHEMBL255906 | 95190 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 617 | 12 | 1 | 8 | 5.1 | CCOc1ccccc1CC(=O)NS(=O)(=O)Cc1ccc(N2Cc3c(c(OCC)c4cccnc4c3OCC)C2=O)c(C)c1 | 10.1016/j.bmcl.2008.01.103 | |||
18444587 | 110708 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 322 | 6 | 1 | 3 | 4.5 | Cc1oc(CC(=O)O)cc1COc1ccc(-c2ccccc2)cc1 | 10.1016/j.bmcl.2014.02.068 | |||
CHEMBL3260430 | 110708 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 322 | 6 | 1 | 3 | 4.5 | Cc1oc(CC(=O)O)cc1COc1ccc(-c2ccccc2)cc1 | 10.1016/j.bmcl.2014.02.068 | |||
18444538 | 110709 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 336 | 7 | 1 | 3 | 4.9 | Cc1oc(CCC(=O)O)cc1COc1ccc(-c2ccccc2)cc1 | 10.1016/j.bmcl.2014.02.068 | |||
CHEMBL3260431 | 110709 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 336 | 7 | 1 | 3 | 4.9 | Cc1oc(CCC(=O)O)cc1COc1ccc(-c2ccccc2)cc1 | 10.1016/j.bmcl.2014.02.068 | |||
44400223 | 69001 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 659 | 15 | 4 | 5 | 5.4 | CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(=O)OCc1ccccc1)NC(=O)c1cc2ccccc2[nH]1 | 10.1021/jm050085k | |||
CHEMBL192303 | 69001 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 659 | 15 | 4 | 5 | 5.4 | CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(=O)OCc1ccccc1)NC(=O)c1cc2ccccc2[nH]1 | 10.1021/jm050085k | |||
15551228 | 82654 | 0 | None | -10000 | 2 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 641 | 10 | 1 | 5 | 7.3 | COc1ccc(Br)cc1S(=O)(=O)NC(=O)/C=C/c1ccccc1Cc1ccc2cc(OCc3ccccc3)ccc2c1 | 10.1016/j.bmcl.2006.08.025 | |||
CHEMBL217941 | 82654 | 0 | None | -10000 | 2 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 641 | 10 | 1 | 5 | 7.3 | COc1ccc(Br)cc1S(=O)(=O)NC(=O)/C=C/c1ccccc1Cc1ccc2cc(OCc3ccccc3)ccc2c1 | 10.1016/j.bmcl.2006.08.025 | |||
118517451 | 152867 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 436 | 8 | 2 | 5 | 3.8 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2ccc3c(c2)OCCO3)cc1 | nan | |||
CHEMBL3974337 | 152867 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 436 | 8 | 2 | 5 | 3.8 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2ccc3c(c2)OCCO3)cc1 | nan | |||
52945423 | 16539 | 0 | None | -3 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 824 | 18 | 2 | 6 | 11.6 | CC(=O)c1ccc(OCc2ccccc2)c(/C=C/Cc2ccccc2/C=C/C(=O)O)c1.CC(=O)c1ccc(OCc2ccccc2)c(C/C=C/c2ccccc2/C=C/C(=O)O)c1 | 10.1016/j.bmcl.2004.11.051 | |||
CHEMBL1237303 | 16539 | 0 | None | -3 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 824 | 18 | 2 | 6 | 11.6 | CC(=O)c1ccc(OCc2ccccc2)c(/C=C/Cc2ccccc2/C=C/C(=O)O)c1.CC(=O)c1ccc(OCc2ccccc2)c(C/C=C/c2ccccc2/C=C/C(=O)O)c1 | 10.1016/j.bmcl.2004.11.051 | |||
22009008 | 83155 | 0 | None | -524 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 545 | 11 | 1 | 6 | 6.1 | COc1cc(/C=C/Cc2ccccc2/C=C/C(=O)NS(=O)(=O)c2cccs2)ccc1OCc1ccccc1 | 10.1016/j.bmcl.2006.08.025 | |||
CHEMBL218280 | 83155 | 0 | None | -524 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 545 | 11 | 1 | 6 | 6.1 | COc1cc(/C=C/Cc2ccccc2/C=C/C(=O)NS(=O)(=O)c2cccs2)ccc1OCc1ccccc1 | 10.1016/j.bmcl.2006.08.025 | |||
22009004 | 141749 | 0 | None | -1202 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 545 | 11 | 1 | 6 | 6.1 | COc1cc(C/C=C/c2ccccc2/C=C/C(=O)NS(=O)(=O)c2cccs2)ccc1OCc1ccccc1 | 10.1016/j.bmcl.2006.08.025 | |||
CHEMBL385955 | 141749 | 0 | None | -1202 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 545 | 11 | 1 | 6 | 6.1 | COc1cc(C/C=C/c2ccccc2/C=C/C(=O)NS(=O)(=O)c2cccs2)ccc1OCc1ccccc1 | 10.1016/j.bmcl.2006.08.025 | |||
18444611 | 110809 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 477 | 8 | 1 | 6 | 5.0 | COc1ccccc1-c1ccc(OCc2cc(C(=O)NS(=O)(=O)c3ccccc3)oc2C)cc1 | 10.1016/j.bmcl.2014.02.068 | |||
CHEMBL3260760 | 110809 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 477 | 8 | 1 | 6 | 5.0 | COc1ccccc1-c1ccc(OCc2cc(C(=O)NS(=O)(=O)c3ccccc3)oc2C)cc1 | 10.1016/j.bmcl.2014.02.068 | |||
10345923 | 8700 | 0 | None | -60 | 2 | Mouse | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 501 | 11 | 2 | 3 | 7.0 | Cc1cc(C)cc([C@@H](CC(C)C)NC(=O)c2cc(COc3ccc(C)cc3C)ccc2CCC(=O)O)c1 | 10.1016/j.bmc.2010.03.028 | |||
CHEMBL1095769 | 8700 | 0 | None | -60 | 2 | Mouse | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 501 | 11 | 2 | 3 | 7.0 | Cc1cc(C)cc([C@@H](CC(C)C)NC(=O)c2cc(COc3ccc(C)cc3C)ccc2CCC(=O)O)c1 | 10.1016/j.bmc.2010.03.028 | |||
44320272 | 206260 | 0 | None | -2 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 507 | 10 | 1 | 5 | 5.9 | O=C(Cc1ccccc1-c1ccc(CSCCc2ccccc2)cc1)NS(=O)(=O)c1cccs1 | 10.1016/s0960-894x(02)00518-8 | |||
CHEMBL86886 | 206260 | 0 | None | -2 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 507 | 10 | 1 | 5 | 5.9 | O=C(Cc1ccccc1-c1ccc(CSCCc2ccccc2)cc1)NS(=O)(=O)c1cccs1 | 10.1016/s0960-894x(02)00518-8 | |||
24760055 | 143886 | 0 | None | 2 | 2 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 411 | 10 | 2 | 4 | 4.6 | CCCCCC(O)c1ccc(N2C(=O)CC[C@@H]2COc2ccc(C(=O)O)cc2)cc1 | nan | |||
CHEMBL3901873 | 143886 | 0 | None | 2 | 2 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 411 | 10 | 2 | 4 | 4.6 | CCCCCC(O)c1ccc(N2C(=O)CC[C@@H]2COc2ccc(C(=O)O)cc2)cc1 | nan | |||
24760055 | 143886 | 0 | None | 2 | 2 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 411 | 10 | 2 | 4 | 4.6 | CCCCCC(O)c1ccc(N2C(=O)CC[C@@H]2COc2ccc(C(=O)O)cc2)cc1 | nan | |||
CHEMBL3901873 | 143886 | 0 | None | 2 | 2 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 411 | 10 | 2 | 4 | 4.6 | CCCCCC(O)c1ccc(N2C(=O)CC[C@@H]2COc2ccc(C(=O)O)cc2)cc1 | nan | |||
15551229 | 2256 | 41 | None | -446 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 535 | 7 | 1 | 4 | 5.7 | COc1ccc(cc1S(=O)(=O)NC(=O)/C=C/c1ccccc1Cc1ccc2c(c1)cccc2)Br | 10.1016/j.bmcl.2006.08.025 | |||
1941 | 2256 | 41 | None | -446 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 535 | 7 | 1 | 4 | 5.7 | COc1ccc(cc1S(=O)(=O)NC(=O)/C=C/c1ccccc1Cc1ccc2c(c1)cccc2)Br | 10.1016/j.bmcl.2006.08.025 | |||
CHEMBL218071 | 2256 | 41 | None | -446 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 535 | 7 | 1 | 4 | 5.7 | COc1ccc(cc1S(=O)(=O)NC(=O)/C=C/c1ccccc1Cc1ccc2c(c1)cccc2)Br | 10.1016/j.bmcl.2006.08.025 | |||
12003887 | 71297 | 0 | None | 776 | 2 | Mouse | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 411 | 11 | 2 | 4 | 3.4 | O=C(O)CCCSCCN1C(=O)CC[C@@H]1/C=C/[C@@H](O)Cc1cccc(Cl)c1 | 10.1016/j.bmc.2012.02.018 | |||
CHEMBL1957308 | 71297 | 0 | None | 776 | 2 | Mouse | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 411 | 11 | 2 | 4 | 3.4 | O=C(O)CCCSCCN1C(=O)CC[C@@H]1/C=C/[C@@H](O)Cc1cccc(Cl)c1 | 10.1016/j.bmc.2012.02.018 | |||
44455115 | 95560 | 0 | None | 15 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 387 | 10 | 2 | 3 | 4.1 | CCCCC(C)(C)[C@H](O)/C=C/[C@H]1CCC(=O)N1CCc1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2007.11.020 | |||
CHEMBL257658 | 95560 | 0 | None | 15 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 387 | 10 | 2 | 3 | 4.1 | CCCCC(C)(C)[C@H](O)/C=C/[C@H]1CCC(=O)N1CCc1ccc(C(=O)O)cc1 | 10.1016/j.bmcl.2007.11.020 | |||
118517484 | 146090 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 458 | 9 | 2 | 4 | 5.2 | COc1ccc2ccc(CC(O)/C=C/[C@H]3CCC(=O)[C@@H]3CCc3ccc(C(=O)O)cc3)cc2c1 | nan | |||
CHEMBL3919302 | 146090 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 458 | 9 | 2 | 4 | 5.2 | COc1ccc2ccc(CC(O)/C=C/[C@H]3CCC(=O)[C@@H]3CCc3ccc(C(=O)O)cc3)cc2c1 | nan | |||
44289922 | 163522 | 0 | None | -3 | 5 | Mouse | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 339 | 13 | 2 | 3 | 3.5 | CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)N1CCCCCCC(=O)O | 10.1016/j.bmcl.2011.10.109 | |||
CHEMBL42027 | 163522 | 0 | None | -3 | 5 | Mouse | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 339 | 13 | 2 | 3 | 3.5 | CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)N1CCCCCCC(=O)O | 10.1016/j.bmcl.2011.10.109 | |||
44289922 | 163522 | 0 | None | -3 | 5 | Mouse | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 339 | 13 | 2 | 3 | 3.5 | CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)N1CCCCCCC(=O)O | 10.1016/j.bmc.2012.02.018 | |||
CHEMBL42027 | 163522 | 0 | None | -3 | 5 | Mouse | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 339 | 13 | 2 | 3 | 3.5 | CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)N1CCCCCCC(=O)O | 10.1016/j.bmc.2012.02.018 | |||
10367369 | 203245 | 0 | None | 478 | 2 | Mouse | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 468 | 14 | 3 | 7 | 2.9 | CCOCc1cccc(C[C@H](O)/C=C/[C@H]2[C@H](O)CC(=O)[C@@H]2SCCCSCC(=O)O)c1 | 10.1016/s0960-894x(01)00364-x | |||
CHEMBL64557 | 203245 | 0 | None | 478 | 2 | Mouse | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 468 | 14 | 3 | 7 | 2.9 | CCOCc1cccc(C[C@H](O)/C=C/[C@H]2[C@H](O)CC(=O)[C@@H]2SCCCSCC(=O)O)c1 | 10.1016/s0960-894x(01)00364-x | |||
15948440 | 97937 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 574 | 10 | 1 | 8 | 4.1 | CCOc1c2c(c(OCC)c3ncccc13)CN(c1ccc(CS(=O)(=O)NC(=O)Cc3ccncc3)cc1C)C2=O | 10.1016/j.bmcl.2008.01.103 | |||
CHEMBL272571 | 97937 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 574 | 10 | 1 | 8 | 4.1 | CCOc1c2c(c(OCC)c3ncccc13)CN(c1ccc(CS(=O)(=O)NC(=O)Cc3ccncc3)cc1C)C2=O | 10.1016/j.bmcl.2008.01.103 | |||
44304052 | 202935 | 0 | None | 51 | 2 | Mouse | 8.0 | pKi | = | 8 | Binding | ChEMBL | 440 | 12 | 3 | 7 | 2.4 | COc1cccc(C[C@H](O)/C=C/[C@H]2[C@H](O)CC(=O)[C@@H]2SCCCSCC(=O)O)c1 | 10.1016/s0960-894x(01)00364-x | |||
CHEMBL62888 | 202935 | 0 | None | 51 | 2 | Mouse | 8.0 | pKi | = | 8 | Binding | ChEMBL | 440 | 12 | 3 | 7 | 2.4 | COc1cccc(C[C@H](O)/C=C/[C@H]2[C@H](O)CC(=O)[C@@H]2SCCCSCC(=O)O)c1 | 10.1016/s0960-894x(01)00364-x | |||
10427236 | 110714 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 338 | 6 | 1 | 4 | 4.5 | COc1ccc(-c2ccc(OCc3cc(C(=O)O)oc3C)cc2)cc1 | 10.1016/j.bmcl.2014.02.068 | |||
CHEMBL3260437 | 110714 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 338 | 6 | 1 | 4 | 4.5 | COc1ccc(-c2ccc(OCc3cc(C(=O)O)oc3C)cc2)cc1 | 10.1016/j.bmcl.2014.02.068 | |||
118517361 | 153368 | 0 | None | 218 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 446 | 8 | 2 | 3 | 5.1 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2cccc(C(F)(F)F)c2)cc1 | nan | |||
CHEMBL3978590 | 153368 | 0 | None | 218 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 446 | 8 | 2 | 3 | 5.1 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2cccc(C(F)(F)F)c2)cc1 | nan | |||
11337781 | 84379 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 373 | 11 | 2 | 3 | 3.8 | CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)N1CCCc1cccc(C(=O)O)c1 | 10.1021/jm049290a | |||
CHEMBL221946 | 84379 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 373 | 11 | 2 | 3 | 3.8 | CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)N1CCCc1cccc(C(=O)O)c1 | 10.1021/jm049290a | |||
71458758 | 120860 | 0 | None | -6 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 615 | 14 | 1 | 4 | 7.8 | COc1cc(C/C=C/c2ccccc2/C=C/C(=O)O)ccc1OCC[n+]1c(C)cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc1C | 10.1021/ml300191g | |||
CHEMBL2164612 | 120860 | 0 | None | -6 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 615 | 14 | 1 | 4 | 7.8 | COc1cc(C/C=C/c2ccccc2/C=C/C(=O)O)ccc1OCC[n+]1c(C)cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc1C | 10.1021/ml300191g | |||
CHEMBL3558858 | 120860 | 0 | None | -6 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 615 | 14 | 1 | 4 | 7.8 | COc1cc(C/C=C/c2ccccc2/C=C/C(=O)O)ccc1OCC[n+]1c(C)cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc1C | 10.1021/ml300191g | |||
118517485 | 142748 | 0 | None | 50 | 2 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 396 | 8 | 2 | 3 | 4.2 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2ccc(F)cc2)cc1 | nan | |||
CHEMBL3892492 | 142748 | 0 | None | 50 | 2 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 396 | 8 | 2 | 3 | 4.2 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2ccc(F)cc2)cc1 | nan | |||
11562422 | 8593 | 0 | None | -275 | 2 | Mouse | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 501 | 11 | 2 | 3 | 7.0 | Cc1cc(C)cc([C@@H](CC(C)C)NC(=O)c2cc(COc3cc(C)ccc3C)ccc2CCC(=O)O)c1 | 10.1016/j.bmc.2010.03.028 | |||
CHEMBL1094813 | 8593 | 0 | None | -275 | 2 | Mouse | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 501 | 11 | 2 | 3 | 7.0 | Cc1cc(C)cc([C@@H](CC(C)C)NC(=O)c2cc(COc3cc(C)ccc3C)ccc2CCC(=O)O)c1 | 10.1016/j.bmc.2010.03.028 | |||
44520991 | 199700 | 0 | None | 7 | 2 | Mouse | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 426 | 7 | 2 | 5 | 5.0 | COc1ccc(/C=C/C(=O)O)c(OCCC2(C)CCc3c(C)c(O)c(C)c(C)c3O2)c1 | 10.1016/j.bmc.2009.08.007 | |||
CHEMBL593260 | 199700 | 0 | None | 7 | 2 | Mouse | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 426 | 7 | 2 | 5 | 5.0 | COc1ccc(/C=C/C(=O)O)c(OCCC2(C)CCc3c(C)c(O)c(C)c(C)c3O2)c1 | 10.1016/j.bmc.2009.08.007 | |||
22009011 | 64071 | 0 | None | -93 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 468 | 8 | 2 | 3 | 6.7 | Cc1cccc(/C=C/C(O)c2ccccc2/C=C/C(=O)O)c1OCc1c(Cl)cccc1Cl | 10.1016/j.bmcl.2004.11.051 | |||
CHEMBL180742 | 64071 | 0 | None | -93 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 468 | 8 | 2 | 3 | 6.7 | Cc1cccc(/C=C/C(O)c2ccccc2/C=C/C(=O)O)c1OCc1c(Cl)cccc1Cl | 10.1016/j.bmcl.2004.11.051 | |||
44454020 | 155071 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 598 | 9 | 1 | 6 | 5.9 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CS(=O)(=O)NC(=O)C3CCCc4ccccc43)cc1)C2 | 10.1016/j.bmcl.2008.01.103 | |||
CHEMBL401795 | 155071 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 598 | 9 | 1 | 6 | 5.9 | CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CS(=O)(=O)NC(=O)C3CCCc4ccccc43)cc1)C2 | 10.1016/j.bmcl.2008.01.103 | |||
71455094 | 81879 | 0 | None | -354 | 4 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 623 | 12 | 1 | 8 | 6.4 | COc1cc(C/C=C/c2ccccc2/C=C/C(=O)NS(=O)(=O)c2cccs2)ccc1OCCn1cc2ccccc2c1C#N | 10.1021/ml300191g | |||
CHEMBL2164609 | 81879 | 0 | None | -354 | 4 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 623 | 12 | 1 | 8 | 6.4 | COc1cc(C/C=C/c2ccccc2/C=C/C(=O)NS(=O)(=O)c2cccs2)ccc1OCCn1cc2ccccc2c1C#N | 10.1021/ml300191g | |||
44419380 | 83077 | 0 | None | -95 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 529 | 10 | 1 | 5 | 6.4 | Cc1ccc(OCc2ccccc2)c(/C=C/Cc2ccccc2/C=C/C(=O)NS(=O)(=O)c2cccs2)c1 | 10.1016/j.bmcl.2006.08.025 | |||
CHEMBL218178 | 83077 | 0 | None | -95 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 529 | 10 | 1 | 5 | 6.4 | Cc1ccc(OCc2ccccc2)c(/C=C/Cc2ccccc2/C=C/C(=O)NS(=O)(=O)c2cccs2)c1 | 10.1016/j.bmcl.2006.08.025 | |||
44419384 | 83078 | 0 | None | -95 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 529 | 10 | 1 | 5 | 6.4 | Cc1ccc(OCc2ccccc2)c(C/C=C/c2ccccc2/C=C/C(=O)NS(=O)(=O)c2cccs2)c1 | 10.1016/j.bmcl.2006.08.025 | |||
CHEMBL218179 | 83078 | 0 | None | -95 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 529 | 10 | 1 | 5 | 6.4 | Cc1ccc(OCc2ccccc2)c(C/C=C/c2ccccc2/C=C/C(=O)NS(=O)(=O)c2cccs2)c1 | 10.1016/j.bmcl.2006.08.025 | |||
21362905 | 171305 | 0 | None | -1 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 428 | 8 | 1 | 3 | 6.9 | CC(Cc1ccccc1-c1csc(-c2ccccc2OCc2ccccc2)c1)C(=O)O | 10.1016/s0960-894x(03)00794-7 | |||
CHEMBL446098 | 171305 | 0 | None | -1 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 428 | 8 | 1 | 3 | 6.9 | CC(Cc1ccccc1-c1csc(-c2ccccc2OCc2ccccc2)c1)C(=O)O | 10.1016/s0960-894x(03)00794-7 | |||
1884 | 3081 | 52 | None | -15 | 22 | Human | 8.3 | pIC50 | = | 8.3 | Binding | Drug Central | 354 | 12 | 4 | 4 | 3.0 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O)O | None | |||
5280363 | 3081 | 52 | None | -15 | 22 | Human | 8.3 | pIC50 | = | 8.3 | Binding | Drug Central | 354 | 12 | 4 | 4 | 3.0 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O)O | None | |||
912 | 3081 | 52 | None | -15 | 22 | Human | 8.3 | pIC50 | = | 8.3 | Binding | Drug Central | 354 | 12 | 4 | 4 | 3.0 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O)O | None | |||
CHEMBL815 | 3081 | 52 | None | -15 | 22 | Human | 8.3 | pIC50 | = | 8.3 | Binding | Drug Central | 354 | 12 | 4 | 4 | 3.0 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O)O | None | |||
DB12789 | 3081 | 52 | None | -15 | 22 | Human | 8.3 | pIC50 | = | 8.3 | Binding | Drug Central | 354 | 12 | 4 | 4 | 3.0 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O)O | None | |||
1883 | 3080 | 75 | None | -1 | 24 | Human | 8.6 | pKd | = | 8.6 | Binding | Guide to Pharmacology | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10634944 | |||
1883 | 3080 | 75 | None | -1 | 24 | Human | 8.6 | pKd | = | 8.6 | 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 | 10952683 | |||
1883 | 3080 | 75 | None | -1 | 24 | Human | 8.6 | pKd | = | 8.6 | Binding | Guide to Pharmacology | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 16604093 | |||
1883 | 3080 | 75 | None | -1 | 24 | Human | 8.6 | pKd | = | 8.6 | 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 | 22480736 | |||
1916 | 3080 | 75 | None | -1 | 24 | Human | 8.6 | pKd | = | 8.6 | Binding | Guide to Pharmacology | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10634944 | |||
1916 | 3080 | 75 | None | -1 | 24 | Human | 8.6 | pKd | = | 8.6 | 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 | 10952683 | |||
1916 | 3080 | 75 | None | -1 | 24 | Human | 8.6 | pKd | = | 8.6 | Binding | Guide to Pharmacology | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 16604093 | |||
1916 | 3080 | 75 | None | -1 | 24 | Human | 8.6 | pKd | = | 8.6 | 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 | 22480736 | |||
5280360 | 3080 | 75 | None | -1 | 24 | Human | 8.6 | pKd | = | 8.6 | Binding | Guide to Pharmacology | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10634944 | |||
5280360 | 3080 | 75 | None | -1 | 24 | Human | 8.6 | pKd | = | 8.6 | 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 | 10952683 | |||
5280360 | 3080 | 75 | None | -1 | 24 | Human | 8.6 | pKd | = | 8.6 | Binding | Guide to Pharmacology | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 16604093 | |||
5280360 | 3080 | 75 | None | -1 | 24 | Human | 8.6 | pKd | = | 8.6 | 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 | 22480736 | |||
913 | 3080 | 75 | None | -1 | 24 | Human | 8.6 | pKd | = | 8.6 | Binding | Guide to Pharmacology | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10634944 | |||
913 | 3080 | 75 | None | -1 | 24 | Human | 8.6 | pKd | = | 8.6 | 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 | 10952683 | |||
913 | 3080 | 75 | None | -1 | 24 | Human | 8.6 | pKd | = | 8.6 | Binding | Guide to Pharmacology | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 16604093 | |||
913 | 3080 | 75 | None | -1 | 24 | Human | 8.6 | pKd | = | 8.6 | 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 | 22480736 | |||
CHEMBL548 | 3080 | 75 | None | -1 | 24 | Human | 8.6 | pKd | = | 8.6 | Binding | Guide to Pharmacology | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10634944 | |||
CHEMBL548 | 3080 | 75 | None | -1 | 24 | Human | 8.6 | pKd | = | 8.6 | 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 | 10952683 | |||
CHEMBL548 | 3080 | 75 | None | -1 | 24 | Human | 8.6 | pKd | = | 8.6 | Binding | Guide to Pharmacology | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 16604093 | |||
CHEMBL548 | 3080 | 75 | None | -1 | 24 | Human | 8.6 | pKd | = | 8.6 | 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 | 22480736 | |||
DB00917 | 3080 | 75 | None | -1 | 24 | Human | 8.6 | pKd | = | 8.6 | Binding | Guide to Pharmacology | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10634944 | |||
DB00917 | 3080 | 75 | None | -1 | 24 | Human | 8.6 | pKd | = | 8.6 | 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 | 10952683 | |||
DB00917 | 3080 | 75 | None | -1 | 24 | Human | 8.6 | pKd | = | 8.6 | Binding | Guide to Pharmacology | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 16604093 | |||
DB00917 | 3080 | 75 | None | -1 | 24 | Human | 8.6 | pKd | = | 8.6 | 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 | 22480736 | |||
1883 | 3080 | 75 | None | -3 | 24 | Mouse | 8.6 | pKd | = | 8.6 | Binding | Guide to Pharmacology | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 9313928 | |||
1916 | 3080 | 75 | None | -3 | 24 | Mouse | 8.6 | pKd | = | 8.6 | Binding | Guide to Pharmacology | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 9313928 | |||
5280360 | 3080 | 75 | None | -3 | 24 | Mouse | 8.6 | pKd | = | 8.6 | Binding | Guide to Pharmacology | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 9313928 | |||
913 | 3080 | 75 | None | -3 | 24 | Mouse | 8.6 | pKd | = | 8.6 | Binding | Guide to Pharmacology | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 9313928 | |||
CHEMBL548 | 3080 | 75 | None | -3 | 24 | Mouse | 8.6 | pKd | = | 8.6 | Binding | Guide to Pharmacology | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 9313928 | |||
DB00917 | 3080 | 75 | None | -3 | 24 | Mouse | 8.6 | pKd | = | 8.6 | 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 | |||
133081958 | 1202 | 0 | None | -1 | 3 | Mouse | 8.7 | pKd | = | 8.7 | Binding | Guide to Pharmacology | 472 | 6 | 2 | 3 | 5.0 | O=C([C@H]1CC2(CCN1Cc1ccc(cc1)C(F)(F)F)CC2)NC1(CC1)c1ccc(cc1)C(=O)O | 29490676 | |||
9845 | 1202 | 0 | None | -1 | 3 | Mouse | 8.7 | pKd | = | 8.7 | Binding | Guide to Pharmacology | 472 | 6 | 2 | 3 | 5.0 | O=C([C@H]1CC2(CCN1Cc1ccc(cc1)C(F)(F)F)CC2)NC1(CC1)c1ccc(cc1)C(=O)O | 29490676 | |||
133081958 | 1202 | 0 | None | 1 | 3 | Rat | 8.7 | pKd | = | 8.7 | Binding | Guide to Pharmacology | 472 | 6 | 2 | 3 | 5.0 | O=C([C@H]1CC2(CCN1Cc1ccc(cc1)C(F)(F)F)CC2)NC1(CC1)c1ccc(cc1)C(=O)O | 29490676 | |||
9845 | 1202 | 0 | None | 1 | 3 | Rat | 8.7 | pKd | = | 8.7 | Binding | Guide to Pharmacology | 472 | 6 | 2 | 3 | 5.0 | O=C([C@H]1CC2(CCN1Cc1ccc(cc1)C(F)(F)F)CC2)NC1(CC1)c1ccc(cc1)C(=O)O | 29490676 | |||
133081958 | 1202 | 0 | None | -1 | 3 | Human | 9.3 | pKd | = | 9.3 | Binding | Guide to Pharmacology | 472 | 6 | 2 | 3 | 5.0 | O=C([C@H]1CC2(CCN1Cc1ccc(cc1)C(F)(F)F)CC2)NC1(CC1)c1ccc(cc1)C(=O)O | 29490676 | |||
9845 | 1202 | 0 | None | -1 | 3 | Human | 9.3 | pKd | = | 9.3 | Binding | Guide to Pharmacology | 472 | 6 | 2 | 3 | 5.0 | O=C([C@H]1CC2(CCN1Cc1ccc(cc1)C(F)(F)F)CC2)NC1(CC1)c1ccc(cc1)C(=O)O | 29490676 | |||
1883 | 3080 | 75 | None | 1 | 24 | Rat | 9.0 | pKd | None | 9 | Binding | Guide to Pharmacology | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 9537820 | |||
1916 | 3080 | 75 | None | 1 | 24 | Rat | 9.0 | pKd | None | 9 | Binding | Guide to Pharmacology | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 9537820 | |||
5280360 | 3080 | 75 | None | 1 | 24 | Rat | 9.0 | pKd | None | 9 | Binding | Guide to Pharmacology | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 9537820 | |||
913 | 3080 | 75 | None | 1 | 24 | Rat | 9.0 | pKd | None | 9 | Binding | Guide to Pharmacology | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 9537820 | |||
CHEMBL548 | 3080 | 75 | None | 1 | 24 | Rat | 9.0 | pKd | None | 9 | Binding | Guide to Pharmacology | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 9537820 | |||
DB00917 | 3080 | 75 | None | 1 | 24 | Rat | 9.0 | pKd | None | 9 | Binding | Guide to Pharmacology | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 9537820 | |||
1883 | 3080 | 75 | 3H-PGE2 | -1 | 24 | Human | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | None | |||
1916 | 3080 | 75 | 3H-PGE2 | -1 | 24 | Human | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | None | |||
5280360 | 3080 | 75 | 3H-PGE2 | -1 | 24 | Human | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | None | |||
913 | 3080 | 75 | 3H-PGE2 | -1 | 24 | Human | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | None | |||
CHEMBL548 | 3080 | 75 | 3H-PGE2 | -1 | 24 | Human | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | None | |||
DB00917 | 3080 | 75 | 3H-PGE2 | -1 | 24 | Human | 9.1 | pKi | = | 9.1 | 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 | |||
1883 | 3080 | 75 | 3H-PGE2 | -3 | 24 | Mouse | 8.7 | pKi | = | 8.7 | 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 | 3080 | 75 | 3H-PGE2 | -3 | 24 | Mouse | 8.7 | pKi | = | 8.7 | 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 | 3080 | 75 | 3H-PGE2 | -3 | 24 | Mouse | 8.7 | pKi | = | 8.7 | 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 | 3080 | 75 | 3H-PGE2 | -3 | 24 | Mouse | 8.7 | pKi | = | 8.7 | 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 | 3080 | 75 | 3H-PGE2 | -3 | 24 | Mouse | 8.7 | pKi | = | 8.7 | 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 | 3080 | 75 | 3H-PGE2 | -3 | 24 | Mouse | 8.7 | pKi | = | 8.7 | 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 | |||
1913 | 2462 | 0 | 3H-PGE2 | -398 | 15 | Human | 8.0 | pKi | = | 8 | 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 | 2462 | 0 | 3H-PGE2 | -398 | 15 | Human | 8.0 | pKi | = | 8 | 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 | |||
1440 | 2025 | 119 | Functional | -3 | 6 | Human | 7.0 | pKi | = | 7 | Binding | PDSP KiDatabase | 357 | 4 | 1 | 4 | 3.9 | COc1ccc2c(c1)c(CC(=O)O)c(n2C(=O)c1ccc(cc1)Cl)C | None | |||
1909 | 2025 | 119 | Functional | -3 | 6 | Human | 7.0 | pKi | = | 7 | Binding | PDSP KiDatabase | 357 | 4 | 1 | 4 | 3.9 | COc1ccc2c(c1)c(CC(=O)O)c(n2C(=O)c1ccc(cc1)Cl)C | None | |||
3715 | 2025 | 119 | Functional | -3 | 6 | Human | 7.0 | pKi | = | 7 | Binding | PDSP KiDatabase | 357 | 4 | 1 | 4 | 3.9 | COc1ccc2c(c1)c(CC(=O)O)c(n2C(=O)c1ccc(cc1)Cl)C | None | |||
CHEMBL6 | 2025 | 119 | Functional | -3 | 6 | Human | 7.0 | pKi | = | 7 | Binding | PDSP KiDatabase | 357 | 4 | 1 | 4 | 3.9 | COc1ccc2c(c1)c(CC(=O)O)c(n2C(=O)c1ccc(cc1)Cl)C | None | |||
DB00328 | 2025 | 119 | Functional | -3 | 6 | Human | 7.0 | pKi | = | 7 | Binding | PDSP KiDatabase | 357 | 4 | 1 | 4 | 3.9 | COc1ccc2c(c1)c(CC(=O)O)c(n2C(=O)c1ccc(cc1)Cl)C | None | |||
119461 | 320 | 72 | 3H-PGE2 | -10 | 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 | 320 | 72 | 3H-PGE2 | -10 | 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 | 320 | 72 | 3H-PGE2 | -10 | 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 | |||
179 | 400 | 115 | 3H-PGE2 | -4365 | 51 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | None | |||
2159 | 400 | 115 | 3H-PGE2 | -4365 | 51 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | None | |||
963 | 400 | 115 | 3H-PGE2 | -4365 | 51 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | None | |||
CHEMBL243712 | 400 | 115 | 3H-PGE2 | -4365 | 51 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | None | |||
DB06288 | 400 | 115 | 3H-PGE2 | -4365 | 51 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | None | |||
242 | 470 | 124 | 3H-PGE2 | -7244 | 52 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | |||
34 | 470 | 124 | 3H-PGE2 | -7244 | 52 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | |||
60795 | 470 | 124 | 3H-PGE2 | -7244 | 52 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | |||
CHEMBL1112 | 470 | 124 | 3H-PGE2 | -7244 | 52 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | |||
DB01238 | 470 | 124 | 3H-PGE2 | -7244 | 52 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | |||
2726 | 918 | 68 | 3H-PGE2 | -5888 | 73 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | |||
621 | 918 | 68 | 3H-PGE2 | -5888 | 73 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | |||
83 | 918 | 68 | 3H-PGE2 | -5888 | 73 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | |||
CHEMBL71 | 918 | 68 | 3H-PGE2 | -5888 | 73 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | |||
DB00477 | 918 | 68 | 3H-PGE2 | -5888 | 73 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | |||
135398737 | 957 | 93 | 3H-PGE2 | -4168 | 91 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
38 | 957 | 93 | 3H-PGE2 | -4168 | 91 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
722 | 957 | 93 | 3H-PGE2 | -4168 | 91 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
CHEMBL42 | 957 | 93 | 3H-PGE2 | -4168 | 91 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
DB00363 | 957 | 93 | 3H-PGE2 | -4168 | 91 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
1212 | 1660 | 50 | 3H-PGE2 | -19952 | 66 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | |||
204 | 1660 | 50 | 3H-PGE2 | -19952 | 66 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | |||
3372 | 1660 | 50 | 3H-PGE2 | -19952 | 66 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | |||
CHEMBL726 | 1660 | 50 | 3H-PGE2 | -19952 | 66 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | |||
DB00623 | 1660 | 50 | 3H-PGE2 | -19952 | 66 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | |||
1940 | 1661 | 41 | 3H-PGE2 | -4168 | 10 | Human | 5.0 | pKi | = | 5 | 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 | 1661 | 41 | 3H-PGE2 | -4168 | 10 | Human | 5.0 | pKi | = | 5 | 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 | 1661 | 41 | 3H-PGE2 | -4168 | 10 | Human | 5.0 | pKi | = | 5 | 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 | 1661 | 41 | 3H-PGE2 | -4168 | 10 | Human | 5.0 | pKi | = | 5 | 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 | 1661 | 41 | 3H-PGE2 | -4168 | 10 | Human | 5.0 | pKi | = | 5 | 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 | |||
1353 | 1909 | 93 | 3H-PGE2 | -6918 | 86 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | |||
3559 | 1909 | 93 | 3H-PGE2 | -6918 | 86 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | |||
86 | 1909 | 93 | 3H-PGE2 | -6918 | 86 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | |||
CHEMBL54 | 1909 | 93 | 3H-PGE2 | -6918 | 86 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | |||
DB00502 | 1909 | 93 | 3H-PGE2 | -6918 | 86 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | |||
1551 | 2284 | 0 | 3H-PGE2 | -1412 | 7 | Human | 5.0 | pKi | = | 5 | 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 | 2284 | 0 | 3H-PGE2 | -1412 | 7 | Human | 5.0 | pKi | = | 5 | 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 | 2284 | 0 | 3H-PGE2 | -1412 | 7 | Human | 5.0 | pKi | = | 5 | 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 | 2284 | 0 | 3H-PGE2 | -1412 | 7 | Human | 5.0 | pKi | = | 5 | 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 | 2284 | 0 | 3H-PGE2 | -1412 | 7 | Human | 5.0 | pKi | = | 5 | 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 | |||
1613 | 2346 | 53 | 3H-PGE2 | -2754 | 45 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | |||
205 | 2346 | 53 | 3H-PGE2 | -2754 | 45 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | |||
3964 | 2346 | 53 | 3H-PGE2 | -2754 | 45 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | |||
CHEMBL831 | 2346 | 53 | 3H-PGE2 | -2754 | 45 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | |||
DB00408 | 2346 | 53 | 3H-PGE2 | -2754 | 45 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | |||
134 | 2512 | 24 | 3H-PGE2 | -8511 | 68 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | |||
1775 | 2512 | 24 | 3H-PGE2 | -8511 | 68 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | |||
9681 | 2512 | 24 | 3H-PGE2 | -8511 | 68 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | |||
CHEMBL1065 | 2512 | 24 | 3H-PGE2 | -8511 | 68 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | |||
DB00247 | 2512 | 24 | 3H-PGE2 | -8511 | 68 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | |||
1817 | 2540 | 68 | 3H-PGE2 | -9 | 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 | 2540 | 68 | 3H-PGE2 | -9 | 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 | 2540 | 68 | 3H-PGE2 | -9 | 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 | 2540 | 68 | 3H-PGE2 | -9 | 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 | 2540 | 68 | 3H-PGE2 | -9 | 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 | |||
15897 | 2860 | 0 | 3H-PGE2 | -354 | 37 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | |||
215 | 2860 | 0 | 3H-PGE2 | -354 | 37 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | |||
CHEMBL1979333 | 2860 | 0 | 3H-PGE2 | -354 | 37 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | |||
135398745 | 2912 | 112 | 3H-PGE2 | -5128 | 66 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | |||
47 | 2912 | 112 | 3H-PGE2 | -5128 | 66 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | |||
CHEMBL715 | 2912 | 112 | 3H-PGE2 | -5128 | 66 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | |||
DB00334 | 2912 | 112 | 3H-PGE2 | -5128 | 66 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | |||
2337 | 3254 | 77 | 3H-PGE2 | -1122 | 63 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | |||
50 | 3254 | 77 | 3H-PGE2 | -1122 | 63 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | |||
5002 | 3254 | 77 | 3H-PGE2 | -1122 | 63 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | |||
CHEMBL716 | 3254 | 77 | 3H-PGE2 | -1122 | 63 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | |||
DB01224 | 3254 | 77 | 3H-PGE2 | -1122 | 63 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | |||
2389 | 3329 | 118 | 3H-PGE2 | -26915 | 67 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | |||
5073 | 3329 | 118 | 3H-PGE2 | -26915 | 67 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | |||
96 | 3329 | 118 | 3H-PGE2 | -26915 | 67 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | |||
CHEMBL85 | 3329 | 118 | 3H-PGE2 | -26915 | 67 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | |||
DB00734 | 3329 | 118 | 3H-PGE2 | -26915 | 67 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | |||
1980 | 3660 | 0 | 3H-PGE2 | -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 | 3660 | 0 | 3H-PGE2 | -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 | 3660 | 0 | 3H-PGE2 | -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 | |||
100 | 3803 | 58 | 3H-PGE2 | -4897 | 55 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | |||
2637 | 3803 | 58 | 3H-PGE2 | -4897 | 55 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | |||
5452 | 3803 | 58 | 3H-PGE2 | -4897 | 55 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | |||
CHEMBL479 | 3803 | 58 | 3H-PGE2 | -4897 | 55 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | |||
DB00679 | 3803 | 58 | 3H-PGE2 | -4897 | 55 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | |||
213 | 3851 | 55 | 3H-PGE2 | -912 | 44 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | |||
2717 | 3851 | 55 | 3H-PGE2 | -912 | 44 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | |||
5533 | 3851 | 55 | 3H-PGE2 | -912 | 44 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | |||
CHEMBL621 | 3851 | 55 | 3H-PGE2 | -912 | 44 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | |||
DB00656 | 3851 | 55 | 3H-PGE2 | -912 | 44 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | |||
1888 | 3898 | 29 | 3H-PGE2 | -134 | 17 | Human | 5.0 | pKi | = | 5 | 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 | 3898 | 29 | 3H-PGE2 | -134 | 17 | Human | 5.0 | pKi | = | 5 | 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 | 3898 | 29 | 3H-PGE2 | -134 | 17 | Human | 5.0 | pKi | = | 5 | 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 | 3898 | 29 | 3H-PGE2 | -134 | 17 | Human | 5.0 | pKi | = | 5 | 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 | |||
2865 | 4141 | 73 | 3H-PGE2 | -20417 | 54 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | |||
59 | 4141 | 73 | 3H-PGE2 | -20417 | 54 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | |||
60854 | 4141 | 73 | 3H-PGE2 | -20417 | 54 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | |||
CHEMBL708 | 4141 | 73 | 3H-PGE2 | -20417 | 54 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | |||
DB00246 | 4141 | 73 | 3H-PGE2 | -20417 | 54 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | |||
103 | 4151 | 61 | 3H-PGE2 | -8317 | 54 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | |||
2875 | 4151 | 61 | 3H-PGE2 | -8317 | 54 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | |||
5736 | 4151 | 61 | 3H-PGE2 | -8317 | 54 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | |||
CHEMBL285802 | 4151 | 61 | 3H-PGE2 | -8317 | 54 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | |||
DB09225 | 4151 | 61 | 3H-PGE2 | -8317 | 54 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | |||
5090 | 15559 | 106 | Functional | -28 | 31 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 314 | 3 | 0 | 4 | 2.6 | CS(=O)(=O)c1ccc(C2=C(c3ccccc3)C(=O)OC2)cc1 | None | |||
CHEMBL122 | 15559 | 106 | Functional | -28 | 31 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 314 | 3 | 0 | 4 | 2.6 | CS(=O)(=O)c1ccc(C2=C(c3ccccc3)C(=O)OC2)cc1 | None | |||
115237 | 55583 | 119 | 3H-PGE2 | -42657 | 55 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 426 | 4 | 1 | 7 | 3.1 | Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2O | None | |||
CHEMBL1621 | 55583 | 119 | 3H-PGE2 | -42657 | 55 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 426 | 4 | 1 | 7 | 3.1 | Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2O | None | |||
DB01267 | 55583 | 119 | 3H-PGE2 | -42657 | 55 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 426 | 4 | 1 | 7 | 3.1 | Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2O | None | |||
5311035 | 97801 | 29 | 3H-PGE2 | -13 | 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 | 97801 | 29 | 3H-PGE2 | -13 | 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 | |||
3036780 | 107529 | 20 | 3H-PGE2 | -58884 | 54 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | |||
46780481 | 107529 | 20 | 3H-PGE2 | -58884 | 54 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | |||
9903970 | 107529 | 20 | 3H-PGE2 | -58884 | 54 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | |||
CHEMBL3187365 | 107529 | 20 | 3H-PGE2 | -58884 | 54 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | |||
CHEMBL3544974 | 107529 | 20 | 3H-PGE2 | -58884 | 54 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | |||
CHEMBL504548 | 107529 | 20 | 3H-PGE2 | -58884 | 54 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | |||
DB06216 | 107529 | 20 | 3H-PGE2 | -58884 | 54 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | |||
1615 | 167789 | 24 | 3H-PGE2 | -26 | 45 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 193 | 3 | 1 | 3 | 1.6 | CNC(C)Cc1ccc2c(c1)OCO2 | None | |||
CHEMBL43048 | 167789 | 24 | 3H-PGE2 | -26 | 45 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 193 | 3 | 1 | 3 | 1.6 | CNC(C)Cc1ccc2c(c1)OCO2 | None | |||
3337 | 206365 | 27 | 3H-PGE2 | -1513 | 41 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | |||
65801 | 206365 | 27 | 3H-PGE2 | -1513 | 41 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | |||
66264 | 206365 | 27 | 3H-PGE2 | -1513 | 41 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | |||
91452 | 206365 | 27 | 3H-PGE2 | -1513 | 41 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | |||
CHEMBL87493 | 206365 | 27 | 3H-PGE2 | -1513 | 41 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | |||
DB00574 | 206365 | 27 | 3H-PGE2 | -1513 | 41 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | |||
11954224 | 215951 | 0 | 3H-PGE2 | -141253 | 60 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 581 | 4 | 3 | 6 | 2.0 | CC1(C(=O)N2C(C(=O)N3CCCC3C2(O1)O)CC4=CC=CC=C4)NC(=O)C5CN(C6CC7=CNC8=CC=CC(=C78)C6=C5)C | None | |||
3251 | 215951 | 0 | 3H-PGE2 | -141253 | 60 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 581 | 4 | 3 | 6 | 2.0 | CC1(C(=O)N2C(C(=O)N3CCCC3C2(O1)O)CC4=CC=CC=C4)NC(=O)C5CN(C6CC7=CNC8=CC=CC(=C78)C6=C5)C | None | |||
CHEMBL1982133 | 215951 | 0 | 3H-PGE2 | -141253 | 60 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 581 | 4 | 3 | 6 | 2.0 | CC1(C(=O)N2C(C(=O)N3CCCC3C2(O1)O)CC4=CC=CC=C4)NC(=O)C5CN(C6CC7=CNC8=CC=CC(=C78)C6=C5)C | None | |||
DB00696 | 215951 | 0 | 3H-PGE2 | -141253 | 60 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 581 | 4 | 3 | 6 | 2.0 | CC1(C(=O)N2C(C(=O)N3CCCC3C2(O1)O)CC4=CC=CC=C4)NC(=O)C5CN(C6CC7=CNC8=CC=CC(=C78)C6=C5)C | None | |||
11954259 | 215977 | 0 | 3H-PGE2 | -33113 | 44 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 443 | 5 | 0 | 5 | 3.5 | CN1CCN(CC1)CCC=C2C3=CC=CC=C3SC4=C2C=C(C=C4)S(=O)(=O)N(C)C | None | |||
134689669 | 216048 | 0 | 3H-PGE2 | -407 | 12 | Human | 5.0 | pKi | = | 5 | 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 | |||
91798918 | 216061 | 0 | 3H-PGE2 | -39 | 10 | Human | 5.0 | pKi | = | 5 | 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 | |||
67861203 | 216063 | 0 | 3H-PGE2 | -20417 | 8 | Human | 5.0 | pKi | = | 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 | |||
123619 | 216391 | 0 | Functional | -125 | 27 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 358 | 3 | 0 | 4 | 4.2 | CC1=NC=C(C=C1)C2=NC=C(C=C2C3=CC=C(C=C3)S(=O)(=O)C)Cl | None | |||
132748 | 216410 | 0 | 3H-PGE2 | -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 | 216412 | 0 | 3H-PGE2 | -9 | 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 | |||
119461 | 320 | 72 | 3H-PGE2 | -10 | 10 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 298 | 3 | 1 | 4 | 3.4 | CC(Oc1ccc2c(c1)oc1c(c2=O)cc(cc1)C(=O)O)C | None | |||
1896 | 320 | 72 | 3H-PGE2 | -10 | 10 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 298 | 3 | 1 | 4 | 3.4 | CC(Oc1ccc2c(c1)oc1c(c2=O)cc(cc1)C(=O)O)C | None | |||
CHEMBL1317823 | 320 | 72 | 3H-PGE2 | -10 | 10 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 298 | 3 | 1 | 4 | 3.4 | CC(Oc1ccc2c(c1)oc1c(c2=O)cc(cc1)C(=O)O)C | None | |||
124936 | 217690 | 0 | 3H-EP2 | -6 | 7 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 268 | 3 | 1 | 5 | 4.8 | CNC1=CC=C(C=C1)N=NC2=CC3=C(C=C2)N=CS3 | None | |||
119304 | 751 | 0 | 3H-PGE2 | -239 | 9 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 368 | 11 | 3 | 4 | 2.7 | OC(=O)CCCCCCC1C(=O)NC(=O)N1CCC(C1CCCCC1)O | None | |||
1878 | 751 | 0 | 3H-PGE2 | -239 | 9 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 368 | 11 | 3 | 4 | 2.7 | OC(=O)CCCCCCC1C(=O)NC(=O)N1CCC(C1CCCCC1)O | None | |||
40481312 | 751 | 0 | 3H-PGE2 | -239 | 9 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 368 | 11 | 3 | 4 | 2.7 | OC(=O)CCCCCCC1C(=O)NC(=O)N1CCC(C1CCCCC1)O | None | |||
CHEMBL575504 | 751 | 0 | 3H-PGE2 | -239 | 9 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 368 | 11 | 3 | 4 | 2.7 | OC(=O)CCCCCCC1C(=O)NC(=O)N1CCC(C1CCCCC1)O | None | |||
1917 | 926 | 0 | 3H-PGE2 | -6 | 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 | 926 | 0 | 3H-PGE2 | -6 | 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 | 926 | 0 | 3H-PGE2 | -6 | 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 | 926 | 0 | 3H-PGE2 | -6 | 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 | |||
1881 | 3077 | 0 | 3H-PGE2 | -83 | 21 | Human | 5.8 | pKi | = | 5.8 | 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 | 3077 | 0 | 3H-PGE2 | -83 | 21 | Human | 5.8 | pKi | = | 5.8 | 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 | 3077 | 0 | 3H-PGE2 | -83 | 21 | Human | 5.8 | pKi | = | 5.8 | 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 | 3077 | 0 | 3H-PGE2 | -83 | 21 | Human | 5.8 | pKi | = | 5.8 | 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 | 3077 | 0 | 3H-PGE2 | -83 | 21 | Human | 5.8 | pKi | = | 5.8 | 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 | |||
1440 | 2025 | 119 | Functional | -3 | 6 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 357 | 4 | 1 | 4 | 3.9 | COc1ccc2c(c1)c(CC(=O)O)c(n2C(=O)c1ccc(cc1)Cl)C | None | |||
1909 | 2025 | 119 | Functional | -3 | 6 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 357 | 4 | 1 | 4 | 3.9 | COc1ccc2c(c1)c(CC(=O)O)c(n2C(=O)c1ccc(cc1)Cl)C | None | |||
3715 | 2025 | 119 | Functional | -3 | 6 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 357 | 4 | 1 | 4 | 3.9 | COc1ccc2c(c1)c(CC(=O)O)c(n2C(=O)c1ccc(cc1)Cl)C | None | |||
CHEMBL6 | 2025 | 119 | Functional | -3 | 6 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 357 | 4 | 1 | 4 | 3.9 | COc1ccc2c(c1)c(CC(=O)O)c(n2C(=O)c1ccc(cc1)Cl)C | None | |||
DB00328 | 2025 | 119 | Functional | -3 | 6 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 357 | 4 | 1 | 4 | 3.9 | COc1ccc2c(c1)c(CC(=O)O)c(n2C(=O)c1ccc(cc1)Cl)C | None | |||
5090 | 15559 | 106 | Functional | -28 | 31 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 314 | 3 | 0 | 4 | 2.6 | CS(=O)(=O)c1ccc(C2=C(c3ccccc3)C(=O)OC2)cc1 | None | |||
CHEMBL122 | 15559 | 106 | Functional | -28 | 31 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 314 | 3 | 0 | 4 | 2.6 | CS(=O)(=O)c1ccc(C2=C(c3ccccc3)C(=O)OC2)cc1 | None | |||
89077401 | 216042 | 0 | 3H-PGE2 | -66 | 12 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 360 | 8 | 3 | 3 | 3.5 | CC#CCC(C)C(C=CC1C(CC2C1CC(=CCCCC(=O)O)C2)O)O | None | |||
1440 | 2025 | 119 | Functional | -3 | 6 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 357 | 4 | 1 | 4 | 3.9 | COc1ccc2c(c1)c(CC(=O)O)c(n2C(=O)c1ccc(cc1)Cl)C | None | |||
1909 | 2025 | 119 | Functional | -3 | 6 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 357 | 4 | 1 | 4 | 3.9 | COc1ccc2c(c1)c(CC(=O)O)c(n2C(=O)c1ccc(cc1)Cl)C | None | |||
3715 | 2025 | 119 | Functional | -3 | 6 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 357 | 4 | 1 | 4 | 3.9 | COc1ccc2c(c1)c(CC(=O)O)c(n2C(=O)c1ccc(cc1)Cl)C | None | |||
CHEMBL6 | 2025 | 119 | Functional | -3 | 6 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 357 | 4 | 1 | 4 | 3.9 | COc1ccc2c(c1)c(CC(=O)O)c(n2C(=O)c1ccc(cc1)Cl)C | None | |||
DB00328 | 2025 | 119 | Functional | -3 | 6 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 357 | 4 | 1 | 4 | 3.9 | COc1ccc2c(c1)c(CC(=O)O)c(n2C(=O)c1ccc(cc1)Cl)C | None | |||
138 | 3079 | 88 | 3H-PGE2 | -3 | 18 | Mouse | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | None | |||
149351 | 3079 | 88 | 3H-PGE2 | -3 | 18 | Mouse | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | None | |||
1882 | 3079 | 88 | 3H-PGE2 | -3 | 18 | Mouse | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | None | |||
5280723 | 3079 | 88 | 3H-PGE2 | -3 | 18 | Mouse | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | None | |||
CHEMBL495 | 3079 | 88 | 3H-PGE2 | -3 | 18 | Mouse | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | None | |||
DB00770 | 3079 | 88 | 3H-PGE2 | -3 | 18 | Mouse | 8.7 | pKi | = | 8.7 | 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 | |||
5090 | 15559 | 106 | Functional | -28 | 31 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 314 | 3 | 0 | 4 | 2.6 | CS(=O)(=O)c1ccc(C2=C(c3ccccc3)C(=O)OC2)cc1 | None | |||
CHEMBL122 | 15559 | 106 | Functional | -28 | 31 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 314 | 3 | 0 | 4 | 2.6 | CS(=O)(=O)c1ccc(C2=C(c3ccccc3)C(=O)OC2)cc1 | None | |||
1888 | 3898 | 29 | 3H-PGE2 | -134 | 17 | Human | 5.7 | pKi | = | 5.7 | 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 | 3898 | 29 | 3H-PGE2 | -134 | 17 | Human | 5.7 | pKi | = | 5.7 | 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 | 3898 | 29 | 3H-PGE2 | -134 | 17 | Human | 5.7 | pKi | = | 5.7 | 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 | 3898 | 29 | 3H-PGE2 | -134 | 17 | Human | 5.7 | pKi | = | 5.7 | 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 | |||
1440 | 2025 | 119 | Functional | -3 | 6 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 357 | 4 | 1 | 4 | 3.9 | COc1ccc2c(c1)c(CC(=O)O)c(n2C(=O)c1ccc(cc1)Cl)C | None | |||
1909 | 2025 | 119 | Functional | -3 | 6 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 357 | 4 | 1 | 4 | 3.9 | COc1ccc2c(c1)c(CC(=O)O)c(n2C(=O)c1ccc(cc1)Cl)C | None | |||
3715 | 2025 | 119 | Functional | -3 | 6 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 357 | 4 | 1 | 4 | 3.9 | COc1ccc2c(c1)c(CC(=O)O)c(n2C(=O)c1ccc(cc1)Cl)C | None | |||
CHEMBL6 | 2025 | 119 | Functional | -3 | 6 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 357 | 4 | 1 | 4 | 3.9 | COc1ccc2c(c1)c(CC(=O)O)c(n2C(=O)c1ccc(cc1)Cl)C | None | |||
DB00328 | 2025 | 119 | Functional | -3 | 6 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 357 | 4 | 1 | 4 | 3.9 | COc1ccc2c(c1)c(CC(=O)O)c(n2C(=O)c1ccc(cc1)Cl)C | None | |||
119304 | 751 | 0 | 3H-PGE2 | -239 | 9 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 368 | 11 | 3 | 4 | 2.7 | OC(=O)CCCCCCC1C(=O)NC(=O)N1CCC(C1CCCCC1)O | None | |||
1878 | 751 | 0 | 3H-PGE2 | -239 | 9 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 368 | 11 | 3 | 4 | 2.7 | OC(=O)CCCCCCC1C(=O)NC(=O)N1CCC(C1CCCCC1)O | None | |||
40481312 | 751 | 0 | 3H-PGE2 | -239 | 9 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 368 | 11 | 3 | 4 | 2.7 | OC(=O)CCCCCCC1C(=O)NC(=O)N1CCC(C1CCCCC1)O | None | |||
CHEMBL575504 | 751 | 0 | 3H-PGE2 | -239 | 9 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 368 | 11 | 3 | 4 | 2.7 | OC(=O)CCCCCCC1C(=O)NC(=O)N1CCC(C1CCCCC1)O | None | |||
1817 | 2540 | 68 | 3H-PGE2 | -9 | 12 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 382 | 13 | 2 | 5 | 4.0 | CCCCC(C/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)OC)(O)C | None | |||
1936 | 2540 | 68 | 3H-PGE2 | -9 | 12 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 382 | 13 | 2 | 5 | 4.0 | CCCCC(C/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)OC)(O)C | None | |||
5282381 | 2540 | 68 | 3H-PGE2 | -9 | 12 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 382 | 13 | 2 | 5 | 4.0 | CCCCC(C/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)OC)(O)C | None | |||
CHEMBL606 | 2540 | 68 | 3H-PGE2 | -9 | 12 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 382 | 13 | 2 | 5 | 4.0 | CCCCC(C/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)OC)(O)C | None | |||
DB00929 | 2540 | 68 | 3H-PGE2 | -9 | 12 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 382 | 13 | 2 | 5 | 4.0 | CCCCC(C/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)OC)(O)C | None | |||
89077401 | 216042 | 0 | 3H-PGE2 | -208 | 12 | Mouse | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 360 | 8 | 3 | 3 | 3.5 | CC#CCC(C)C(C=CC1C(CC2C1CC(=CCCCC(=O)O)C2)O)O | None | |||
133126726 | 216043 | 0 | 3H-PGE2 | -218 | 14 | Mouse | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 350 | 10 | 3 | 3 | 4.1 | CCCCCC(C=CC1C(CC2C1CC(=CCCCC(=O)O)C2)O)O | None | |||
24868263 | 216043 | 0 | 3H-PGE2 | -218 | 14 | Mouse | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 350 | 10 | 3 | 3 | 4.1 | CCCCCC(C=CC1C(CC2C1CC(=CCCCC(=O)O)C2)O)O | None | |||
5090 | 15559 | 106 | Functional | -28 | 31 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 314 | 3 | 0 | 4 | 2.6 | CS(=O)(=O)c1ccc(C2=C(c3ccccc3)C(=O)OC2)cc1 | None | |||
CHEMBL122 | 15559 | 106 | Functional | -28 | 31 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 314 | 3 | 0 | 4 | 2.6 | CS(=O)(=O)c1ccc(C2=C(c3ccccc3)C(=O)OC2)cc1 | None | |||
1440 | 2025 | 119 | Functional | -3 | 6 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 357 | 4 | 1 | 4 | 3.9 | COc1ccc2c(c1)c(CC(=O)O)c(n2C(=O)c1ccc(cc1)Cl)C | None | |||
1909 | 2025 | 119 | Functional | -3 | 6 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 357 | 4 | 1 | 4 | 3.9 | COc1ccc2c(c1)c(CC(=O)O)c(n2C(=O)c1ccc(cc1)Cl)C | None | |||
3715 | 2025 | 119 | Functional | -3 | 6 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 357 | 4 | 1 | 4 | 3.9 | COc1ccc2c(c1)c(CC(=O)O)c(n2C(=O)c1ccc(cc1)Cl)C | None | |||
CHEMBL6 | 2025 | 119 | Functional | -3 | 6 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 357 | 4 | 1 | 4 | 3.9 | COc1ccc2c(c1)c(CC(=O)O)c(n2C(=O)c1ccc(cc1)Cl)C | None | |||
DB00328 | 2025 | 119 | Functional | -3 | 6 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 357 | 4 | 1 | 4 | 3.9 | COc1ccc2c(c1)c(CC(=O)O)c(n2C(=O)c1ccc(cc1)Cl)C | None | |||
89077401 | 216042 | 0 | 3H-PGE2 | -66 | 12 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 360 | 8 | 3 | 3 | 3.5 | CC#CCC(C)C(C=CC1C(CC2C1CC(=CCCCC(=O)O)C2)O)O | None | |||
1884 | 3081 | 52 | 3H-PGE2 | -15 | 22 | Human | 6.5 | pKi | = | 6.5 | 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 | 3081 | 52 | 3H-PGE2 | -15 | 22 | Human | 6.5 | pKi | = | 6.5 | 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 | 3081 | 52 | 3H-PGE2 | -15 | 22 | Human | 6.5 | pKi | = | 6.5 | 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 | 3081 | 52 | 3H-PGE2 | -15 | 22 | Human | 6.5 | pKi | = | 6.5 | 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 | 3081 | 52 | 3H-PGE2 | -15 | 22 | Human | 6.5 | pKi | = | 6.5 | 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 | |||
1881 | 3077 | 0 | 3H-PGE2 | -83 | 21 | Human | 5.5 | pKi | = | 5.5 | 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 | 3077 | 0 | 3H-PGE2 | -83 | 21 | Human | 5.5 | pKi | = | 5.5 | 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 | 3077 | 0 | 3H-PGE2 | -83 | 21 | Human | 5.5 | pKi | = | 5.5 | 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 | 3077 | 0 | 3H-PGE2 | -83 | 21 | Human | 5.5 | pKi | = | 5.5 | 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 | 3077 | 0 | 3H-PGE2 | -83 | 21 | Human | 5.5 | pKi | = | 5.5 | 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 | |||
1817 | 2540 | 68 | 3H-PGE2 | -9 | 12 | Human | 7.5 | pKi | = | 7.5 | 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 | 2540 | 68 | 3H-PGE2 | -9 | 12 | Human | 7.5 | pKi | = | 7.5 | 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 | 2540 | 68 | 3H-PGE2 | -9 | 12 | Human | 7.5 | pKi | = | 7.5 | 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 | 2540 | 68 | 3H-PGE2 | -9 | 12 | Human | 7.5 | pKi | = | 7.5 | 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 | 2540 | 68 | 3H-PGE2 | -9 | 12 | Human | 7.5 | pKi | = | 7.5 | 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 | |||
None | 216041 | 0 | 3H-PGE2 | -15 | 5 | Mouse | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 366 | 12 | 2 | 3 | 5.2 | CCCCCC(C=CC1CC2CC(C1CC=CCCCC(=O)O)S2)O | None | |||
5311035 | 97801 | 29 | 3H-PGE2 | -13 | 9 | Human | 5.5 | pKi | = | 5.5 | 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 | 97801 | 29 | 3H-PGE2 | -13 | 9 | Human | 5.5 | pKi | = | 5.5 | 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 | 216043 | 0 | 3H-PGE2 | -11 | 14 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 350 | 10 | 3 | 3 | 4.1 | CCCCCC(C=CC1C(CC2C1CC(=CCCCC(=O)O)C2)O)O | None | |||
24868263 | 216043 | 0 | 3H-PGE2 | -11 | 14 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 350 | 10 | 3 | 3 | 4.1 | CCCCCC(C=CC1C(CC2C1CC(=CCCCC(=O)O)C2)O)O | None | |||
656511 | 217714 | 0 | None | -1 | 7 | Human | 8.4 | pKi | = | 8.4 | Binding | Drug Central | 539 | 6 | 3 | 8 | -0.2 | CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)N3CCN(C3=O)S(C)(=O)=O)C3=CC=CC=C3)C(=O)N2[C@H]1C(O)=O | None | |||
1883 | 3080 | 75 | 3H-PGE2 | -1 | 24 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | None | |||
1916 | 3080 | 75 | 3H-PGE2 | -1 | 24 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | None | |||
5280360 | 3080 | 75 | 3H-PGE2 | -1 | 24 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | None | |||
913 | 3080 | 75 | 3H-PGE2 | -1 | 24 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | None | |||
CHEMBL548 | 3080 | 75 | 3H-PGE2 | -1 | 24 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | None | |||
DB00917 | 3080 | 75 | 3H-PGE2 | -1 | 24 | Human | 8.3 | pKi | = | 8.3 | 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 | 216411 | 0 | 3H-PGE2 | -52 | 6 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 384 | 9 | 3 | 3 | 4.3 | C1CCC(CC1)C(C=CC2C(CC(C2CC=CCCCC(=O)O)Cl)O)O | None | |||
1917 | 926 | 0 | 3H-PGE2 | -6 | 9 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 374 | 6 | 3 | 4 | 2.2 | CCC#CC[C@@H]([C@@H](C#C[C@H]1[C@H](O)C[C@H]2[C@@H]1C/C(=C/COCC(=O)O)/C2)O)C | None | |||
5311044 | 926 | 0 | 3H-PGE2 | -6 | 9 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 374 | 6 | 3 | 4 | 2.2 | CCC#CC[C@@H]([C@@H](C#C[C@H]1[C@H](O)C[C@H]2[C@@H]1C/C(=C/COCC(=O)O)/C2)O)C | None | |||
631 | 926 | 0 | 3H-PGE2 | -6 | 9 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 374 | 6 | 3 | 4 | 2.2 | CCC#CC[C@@H]([C@@H](C#C[C@H]1[C@H](O)C[C@H]2[C@@H]1C/C(=C/COCC(=O)O)/C2)O)C | None | |||
CHEMBL160629 | 926 | 0 | 3H-PGE2 | -6 | 9 | Human | 7.4 | pKi | = | 7.4 | 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 | |||
5090 | 15559 | 106 | Functional | -28 | 31 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 314 | 3 | 0 | 4 | 2.6 | CS(=O)(=O)c1ccc(C2=C(c3ccccc3)C(=O)OC2)cc1 | None | |||
CHEMBL122 | 15559 | 106 | Functional | -28 | 31 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 314 | 3 | 0 | 4 | 2.6 | CS(=O)(=O)c1ccc(C2=C(c3ccccc3)C(=O)OC2)cc1 | None | |||
None | 216049 | 0 | 3H-PGE2 | -251 | 4 | Mouse | 6.3 | pKi | = | 6.3 | 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 | |||
133126726 | 216043 | 0 | None | -11 | 14 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 350 | 10 | 3 | 3 | 4.1 | CCCCCC(C=CC1C(CC2C1CC(=CCCCC(=O)O)C2)O)O | None | |||
24868263 | 216043 | 0 | None | -11 | 14 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 350 | 10 | 3 | 3 | 4.1 | CCCCCC(C=CC1C(CC2C1CC(=CCCCC(=O)O)C2)O)O | None | |||
6917951 | 217695 | 0 | None | 1 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 398 | 8 | 3 | 4 | 3.3 | CC#CCC(C)[C@H](O)\C=C\[C@H]1[C@H](O)C[C@@H]2OC3=C(C=CC=C3CCCC(O)=O)[C@H]12 | None | |||
69658829 | 217695 | 0 | None | 1 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 398 | 8 | 3 | 4 | 3.3 | CC#CCC(C)[C@H](O)\C=C\[C@H]1[C@H](O)C[C@@H]2OC3=C(C=CC=C3CCCC(O)=O)[C@H]12 | None | |||
CHEMBL1207745 | 217695 | 0 | None | 1 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 398 | 8 | 3 | 4 | 3.3 | CC#CCC(C)[C@H](O)\C=C\[C@H]1[C@H](O)C[C@@H]2OC3=C(C=CC=C3CCCC(O)=O)[C@H]12 | None | |||
DB05229 | 217695 | 0 | None | 1 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 398 | 8 | 3 | 4 | 3.3 | CC#CCC(C)[C@H](O)\C=C\[C@H]1[C@H](O)C[C@@H]2OC3=C(C=CC=C3CCCC(O)=O)[C@H]12 | None | |||
5077 | 3576 | 79 | None | -1 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 496 | 12 | 1 | 7 | 3.9 | O=C(NS(=O)(=O)C)COCCCCN(c1cnc(c(n1)c1ccccc1)c1ccccc1)C(C)C | None | |||
7552 | 3576 | 79 | None | -1 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 496 | 12 | 1 | 7 | 3.9 | O=C(NS(=O)(=O)C)COCCCCN(c1cnc(c(n1)c1ccccc1)c1ccccc1)C(C)C | None | |||
9913767 | 3576 | 79 | None | -1 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 496 | 12 | 1 | 7 | 3.9 | O=C(NS(=O)(=O)C)COCCCCN(c1cnc(c(n1)c1ccccc1)c1ccccc1)C(C)C | None | |||
CHEMBL238804 | 3576 | 79 | None | -1 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 496 | 12 | 1 | 7 | 3.9 | O=C(NS(=O)(=O)C)COCCCCN(c1cnc(c(n1)c1ccccc1)c1ccccc1)C(C)C | None | |||
DB11362 | 3576 | 79 | None | -1 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 496 | 12 | 1 | 7 | 3.9 | O=C(NS(=O)(=O)C)COCCCCN(c1cnc(c(n1)c1ccccc1)c1ccccc1)C(C)C | None | |||
138107701 | 187462 | 46 | None | -5 | 15 | Mouse | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 360 | 8 | 3 | 3 | 3.5 | CC#CCC(C)[C@H](O)/C=C/[C@@H]1[C@H]2C/C(=C/CCCC(=O)O)C[C@H]2C[C@H]1O | None | |||
5311181 | 187462 | 46 | None | -5 | 15 | Mouse | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 360 | 8 | 3 | 3 | 3.5 | CC#CCC(C)[C@H](O)/C=C/[C@@H]1[C@H]2C/C(=C/CCCC(=O)O)C[C@H]2C[C@H]1O | None | |||
CHEMBL494 | 187462 | 46 | None | -5 | 15 | Mouse | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 360 | 8 | 3 | 3 | 3.5 | CC#CCC(C)[C@H](O)/C=C/[C@@H]1[C@H]2C/C(=C/CCCC(=O)O)C[C@H]2C[C@H]1O | None | |||
DB01088 | 187462 | 46 | None | -5 | 15 | Mouse | 8.3 | pKi | = | 8.3 | 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 | |||
1913 | 2462 | 0 | 3H-PGE2 | -3548 | 15 | Mouse | 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 | 2462 | 0 | 3H-PGE2 | -3548 | 15 | Mouse | 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 | |||
1817 | 2540 | 68 | 3H-PGE2 | -9 | 12 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 382 | 13 | 2 | 5 | 4.0 | CCCCC(C/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)OC)(O)C | None | |||
1936 | 2540 | 68 | 3H-PGE2 | -9 | 12 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 382 | 13 | 2 | 5 | 4.0 | CCCCC(C/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)OC)(O)C | None | |||
5282381 | 2540 | 68 | 3H-PGE2 | -9 | 12 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 382 | 13 | 2 | 5 | 4.0 | CCCCC(C/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)OC)(O)C | None | |||
CHEMBL606 | 2540 | 68 | 3H-PGE2 | -9 | 12 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 382 | 13 | 2 | 5 | 4.0 | CCCCC(C/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)OC)(O)C | None | |||
DB00929 | 2540 | 68 | 3H-PGE2 | -9 | 12 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 382 | 13 | 2 | 5 | 4.0 | CCCCC(C/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)OC)(O)C | None | |||
1440 | 2025 | 119 | Functional | -3 | 6 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 357 | 4 | 1 | 4 | 3.9 | COc1ccc2c(c1)c(CC(=O)O)c(n2C(=O)c1ccc(cc1)Cl)C | None | |||
1909 | 2025 | 119 | Functional | -3 | 6 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 357 | 4 | 1 | 4 | 3.9 | COc1ccc2c(c1)c(CC(=O)O)c(n2C(=O)c1ccc(cc1)Cl)C | None | |||
3715 | 2025 | 119 | Functional | -3 | 6 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 357 | 4 | 1 | 4 | 3.9 | COc1ccc2c(c1)c(CC(=O)O)c(n2C(=O)c1ccc(cc1)Cl)C | None | |||
CHEMBL6 | 2025 | 119 | Functional | -3 | 6 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 357 | 4 | 1 | 4 | 3.9 | COc1ccc2c(c1)c(CC(=O)O)c(n2C(=O)c1ccc(cc1)Cl)C | None | |||
DB00328 | 2025 | 119 | Functional | -3 | 6 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 357 | 4 | 1 | 4 | 3.9 | COc1ccc2c(c1)c(CC(=O)O)c(n2C(=O)c1ccc(cc1)Cl)C | None | |||
None | 216411 | 0 | 3H-PGE2 | -52 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 384 | 9 | 3 | 3 | 4.3 | C1CCC(CC1)C(C=CC2C(CC(C2CC=CCCCC(=O)O)Cl)O)O | None | |||
1884 | 3081 | 52 | None | -18 | 22 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 354 | 12 | 4 | 4 | 3.0 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O)O | None | |||
5280363 | 3081 | 52 | None | -18 | 22 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 354 | 12 | 4 | 4 | 3.0 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O)O | None | |||
912 | 3081 | 52 | None | -18 | 22 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 354 | 12 | 4 | 4 | 3.0 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O)O | None | |||
CHEMBL815 | 3081 | 52 | None | -18 | 22 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 354 | 12 | 4 | 4 | 3.0 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O)O | None | |||
DB12789 | 3081 | 52 | None | -18 | 22 | Rat | 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 | |||
138107701 | 187462 | 46 | 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 | 187462 | 46 | 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 | 187462 | 46 | 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 | |||
DB01088 | 187462 | 46 | 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 | |||
1817 | 2540 | 68 | 3H-PGE2 | -1 | 12 | Mouse | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 382 | 13 | 2 | 5 | 4.0 | CCCCC(C/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)OC)(O)C | None | |||
1936 | 2540 | 68 | 3H-PGE2 | -1 | 12 | Mouse | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 382 | 13 | 2 | 5 | 4.0 | CCCCC(C/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)OC)(O)C | None | |||
5282381 | 2540 | 68 | 3H-PGE2 | -1 | 12 | Mouse | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 382 | 13 | 2 | 5 | 4.0 | CCCCC(C/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)OC)(O)C | None | |||
CHEMBL606 | 2540 | 68 | 3H-PGE2 | -1 | 12 | Mouse | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 382 | 13 | 2 | 5 | 4.0 | CCCCC(C/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)OC)(O)C | None | |||
DB00929 | 2540 | 68 | 3H-PGE2 | -1 | 12 | Mouse | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 382 | 13 | 2 | 5 | 4.0 | CCCCC(C/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)OC)(O)C | None | |||
1440 | 2025 | 119 | Functional | -3 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 357 | 4 | 1 | 4 | 3.9 | COc1ccc2c(c1)c(CC(=O)O)c(n2C(=O)c1ccc(cc1)Cl)C | None | |||
1909 | 2025 | 119 | Functional | -3 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 357 | 4 | 1 | 4 | 3.9 | COc1ccc2c(c1)c(CC(=O)O)c(n2C(=O)c1ccc(cc1)Cl)C | None | |||
3715 | 2025 | 119 | Functional | -3 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 357 | 4 | 1 | 4 | 3.9 | COc1ccc2c(c1)c(CC(=O)O)c(n2C(=O)c1ccc(cc1)Cl)C | None | |||
CHEMBL6 | 2025 | 119 | Functional | -3 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 357 | 4 | 1 | 4 | 3.9 | COc1ccc2c(c1)c(CC(=O)O)c(n2C(=O)c1ccc(cc1)Cl)C | None | |||
DB00328 | 2025 | 119 | Functional | -3 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 357 | 4 | 1 | 4 | 3.9 | COc1ccc2c(c1)c(CC(=O)O)c(n2C(=O)c1ccc(cc1)Cl)C | None | |||
1917 | 926 | 0 | None | -6 | 9 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 374 | 6 | 3 | 4 | 2.2 | CCC#CC[C@@H]([C@@H](C#C[C@H]1[C@H](O)C[C@H]2[C@@H]1C/C(=C/COCC(=O)O)/C2)O)C | None | |||
5311044 | 926 | 0 | None | -6 | 9 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 374 | 6 | 3 | 4 | 2.2 | CCC#CC[C@@H]([C@@H](C#C[C@H]1[C@H](O)C[C@H]2[C@@H]1C/C(=C/COCC(=O)O)/C2)O)C | None | |||
631 | 926 | 0 | None | -6 | 9 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 374 | 6 | 3 | 4 | 2.2 | CCC#CC[C@@H]([C@@H](C#C[C@H]1[C@H](O)C[C@H]2[C@@H]1C/C(=C/COCC(=O)O)/C2)O)C | None | |||
CHEMBL160629 | 926 | 0 | None | -6 | 9 | Human | 8.1 | pKi | = | 8.1 | 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 | |||
91798918 | 216061 | 0 | None | -39 | 10 | Human | 8.1 | pKi | = | 8.1 | 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 | |||
1817 | 2540 | 68 | None | -9 | 12 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 382 | 13 | 2 | 5 | 4.0 | CCCCC(C/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)OC)(O)C | None | |||
1936 | 2540 | 68 | None | -9 | 12 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 382 | 13 | 2 | 5 | 4.0 | CCCCC(C/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)OC)(O)C | None | |||
5282381 | 2540 | 68 | None | -9 | 12 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 382 | 13 | 2 | 5 | 4.0 | CCCCC(C/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)OC)(O)C | None | |||
CHEMBL606 | 2540 | 68 | None | -9 | 12 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 382 | 13 | 2 | 5 | 4.0 | CCCCC(C/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)OC)(O)C | None | |||
DB00929 | 2540 | 68 | None | -9 | 12 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 382 | 13 | 2 | 5 | 4.0 | CCCCC(C/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)OC)(O)C | None | |||
134689669 | 216048 | 0 | 3H-PGE2 | -407 | 12 | Human | 5.1 | pKi | = | 5.1 | 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 | |||
123619 | 216391 | 0 | Functional | -125 | 27 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 358 | 3 | 0 | 4 | 4.2 | CC1=NC=C(C=C1)C2=NC=C(C=C2C3=CC=C(C=C3)S(=O)(=O)C)Cl | None | |||
138 | 3079 | 88 | None | -3 | 18 | Mouse | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | None | |||
149351 | 3079 | 88 | None | -3 | 18 | Mouse | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | None | |||
1882 | 3079 | 88 | None | -3 | 18 | Mouse | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | None | |||
5280723 | 3079 | 88 | None | -3 | 18 | Mouse | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | None | |||
CHEMBL495 | 3079 | 88 | None | -3 | 18 | Mouse | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | None | |||
DB00770 | 3079 | 88 | None | -3 | 18 | Mouse | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | None | |||
1883 | 3080 | 75 | None | -3 | 24 | Mouse | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | None | |||
1916 | 3080 | 75 | None | -3 | 24 | Mouse | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | None | |||
5280360 | 3080 | 75 | None | -3 | 24 | Mouse | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | None | |||
913 | 3080 | 75 | None | -3 | 24 | Mouse | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | None | |||
CHEMBL548 | 3080 | 75 | None | -3 | 24 | Mouse | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | None | |||
DB00917 | 3080 | 75 | None | -3 | 24 | Mouse | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | None | |||
138 | 3079 | 88 | None | -2 | 18 | Rat | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | None | |||
149351 | 3079 | 88 | None | -2 | 18 | Rat | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | None | |||
1882 | 3079 | 88 | None | -2 | 18 | Rat | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | None | |||
5280723 | 3079 | 88 | None | -2 | 18 | Rat | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | None | |||
CHEMBL495 | 3079 | 88 | None | -2 | 18 | Rat | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | None | |||
DB00770 | 3079 | 88 | None | -2 | 18 | Rat | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | None | |||
1883 | 3080 | 75 | None | -1 | 24 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | None | |||
1916 | 3080 | 75 | None | -1 | 24 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | None | |||
5280360 | 3080 | 75 | None | -1 | 24 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | None | |||
913 | 3080 | 75 | None | -1 | 24 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | None | |||
CHEMBL548 | 3080 | 75 | None | -1 | 24 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | None | |||
DB00917 | 3080 | 75 | None | -1 | 24 | Human | 8.0 | pKi | = | 8.0 | 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 | |||
5311035 | 97801 | 29 | 3H-PGE2 | -13 | 9 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 408 | 13 | 2 | 5 | 4.3 | CCCC1([C@H](O)C/C=C/[C@H]2[C@H](O)CC(=O)[C@@H]2CCCCCCC(=O)OC)CCC1 | None | |||
CHEMBL271896 | 97801 | 29 | 3H-PGE2 | -13 | 9 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 408 | 13 | 2 | 5 | 4.3 | CCCC1([C@H](O)C/C=C/[C@H]2[C@H](O)CC(=O)[C@@H]2CCCCCCC(=O)OC)CCC1 | None | |||
67861203 | 216063 | 0 | 3H-PGE2 | -20417 | 8 | Human | 5.0 | pKi | = | 5.0 | 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 | |||
None | 216412 | 0 | 3H-PGE2 | -9 | 6 | Human | 5.0 | pKi | = | 5.0 | 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 | |||
133126726 | 216043 | 0 | 3H-PGE2 | -11 | 14 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 350 | 10 | 3 | 3 | 4.1 | CCCCCC(C=CC1C(CC2C1CC(=CCCCC(=O)O)C2)O)O | None | |||
24868263 | 216043 | 0 | 3H-PGE2 | -11 | 14 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 350 | 10 | 3 | 3 | 4.1 | CCCCCC(C=CC1C(CC2C1CC(=CCCCC(=O)O)C2)O)O | None | |||
1884 | 3081 | 52 | 3H-PGE2 | -15 | 22 | Human | 6.0 | pKi | = | 6.0 | 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 | 3081 | 52 | 3H-PGE2 | -15 | 22 | Human | 6.0 | pKi | = | 6.0 | 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 | 3081 | 52 | 3H-PGE2 | -15 | 22 | Human | 6.0 | pKi | = | 6.0 | 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 | 3081 | 52 | 3H-PGE2 | -15 | 22 | Human | 6.0 | pKi | = | 6.0 | 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 | 3081 | 52 | 3H-PGE2 | -15 | 22 | Human | 6.0 | pKi | = | 6.0 | 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 | |||
1913 | 2462 | 0 | 3H-PGE2 | -398 | 15 | Human | 6.0 | pKi | = | 6.0 | 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 | 2462 | 0 | 3H-PGE2 | -398 | 15 | Human | 6.0 | pKi | = | 6.0 | 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 | |||
12521 | 2195 | 0 | None | 1 | 4 | Rat | 9.6 | pKi | = | 9.6 | Binding | Guide to Pharmacology | 399 | 11 | 2 | 3 | 3.6 | FC1(C(N([C@H](C1)/C=C/[C@H]([C@H](CC#CCC)C)O)CCCCCCC(=O)O)=O)F | 32334025 | |||
72722131 | 2195 | 0 | None | 1 | 4 | Rat | 9.6 | pKi | = | 9.6 | Binding | Guide to Pharmacology | 399 | 11 | 2 | 3 | 3.6 | FC1(C(N([C@H](C1)/C=C/[C@H]([C@H](CC#CCC)C)O)CCCCCCC(=O)O)=O)F | 32334025 | |||
CHEMBL3918816 | 2195 | 0 | None | 1 | 4 | Rat | 9.6 | pKi | = | 9.6 | Binding | Guide to Pharmacology | 399 | 11 | 2 | 3 | 3.6 | FC1(C(N([C@H](C1)/C=C/[C@H]([C@H](CC#CCC)C)O)CCCCCCC(=O)O)=O)F | 32334025 | |||
1967 | 600 | 0 | None | -457 | 5 | Human | 5.1 | pKi | = | 5.1 | Binding | Guide to Pharmacology | 398 | 8 | 3 | 4 | 3.3 | CC#CCC(C(/C=C/C1C(O)CC2C1c1cccc(c1O2)CCCC(=O)O)O)C | 17545310 | |||
5282428 | 600 | 0 | None | -457 | 5 | Human | 5.1 | pKi | = | 5.1 | Binding | Guide to Pharmacology | 398 | 8 | 3 | 4 | 3.3 | CC#CCC(C(/C=C/C1C(O)CC2C1c1cccc(c1O2)CCCC(=O)O)O)C | 17545310 | |||
5852 | 2615 | 55 | None | -245 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | Guide to Pharmacology | 419 | 11 | 1 | 5 | 4.9 | OC(=O)COCCCCN(c1cnc(c(n1)c1ccccc1)c1ccccc1)C(C)C | 17545310 | |||
9931891 | 2615 | 55 | None | -245 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | Guide to Pharmacology | 419 | 11 | 1 | 5 | 4.9 | OC(=O)COCCCCN(c1cnc(c(n1)c1ccccc1)c1ccccc1)C(C)C | 17545310 | |||
CHEMBL239226 | 2615 | 55 | None | -245 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | Guide to Pharmacology | 419 | 11 | 1 | 5 | 4.9 | OC(=O)COCCCCN(c1cnc(c(n1)c1ccccc1)c1ccccc1)C(C)C | 17545310 | |||
1895 | 2005 | 0 | None | -218 | 16 | Human | 5.7 | pKi | = | 5.7 | Binding | Guide to Pharmacology | 360 | 8 | 3 | 3 | 3.5 | CC#CCC([C@@H](/C=C/C1[C@H](O)C[C@H]2[C@@H]1C/C(=C/CCCC(=O)O)/C2)O)C | 10634944 | |||
1895 | 2005 | 0 | None | -218 | 16 | Human | 5.7 | pKi | = | 5.7 | Binding | Guide to Pharmacology | 360 | 8 | 3 | 3 | 3.5 | CC#CCC([C@@H](/C=C/C1[C@H](O)C[C@H]2[C@@H]1C/C(=C/CCCC(=O)O)/C2)O)C | 10952683 | |||
1895 | 2005 | 0 | None | -218 | 16 | Human | 5.7 | pKi | = | 5.7 | Binding | Guide to Pharmacology | 360 | 8 | 3 | 3 | 3.5 | CC#CCC([C@@H](/C=C/C1[C@H](O)C[C@H]2[C@@H]1C/C(=C/CCCC(=O)O)/C2)O)C | 22480736 | |||
6435378 | 2005 | 0 | None | -218 | 16 | Human | 5.7 | pKi | = | 5.7 | Binding | Guide to Pharmacology | 360 | 8 | 3 | 3 | 3.5 | CC#CCC([C@@H](/C=C/C1[C@H](O)C[C@H]2[C@@H]1C/C(=C/CCCC(=O)O)/C2)O)C | 10634944 | |||
6435378 | 2005 | 0 | None | -218 | 16 | Human | 5.7 | pKi | = | 5.7 | Binding | Guide to Pharmacology | 360 | 8 | 3 | 3 | 3.5 | CC#CCC([C@@H](/C=C/C1[C@H](O)C[C@H]2[C@@H]1C/C(=C/CCCC(=O)O)/C2)O)C | 10952683 | |||
6435378 | 2005 | 0 | None | -218 | 16 | Human | 5.7 | pKi | = | 5.7 | Binding | Guide to Pharmacology | 360 | 8 | 3 | 3 | 3.5 | CC#CCC([C@@H](/C=C/C1[C@H](O)C[C@H]2[C@@H]1C/C(=C/CCCC(=O)O)/C2)O)C | 22480736 | |||
CHEMBL236025 | 2005 | 0 | None | -218 | 16 | Human | 5.7 | pKi | = | 5.7 | Binding | Guide to Pharmacology | 360 | 8 | 3 | 3 | 3.5 | CC#CCC([C@@H](/C=C/C1[C@H](O)C[C@H]2[C@@H]1C/C(=C/CCCC(=O)O)/C2)O)C | 10634944 | |||
CHEMBL236025 | 2005 | 0 | None | -218 | 16 | Human | 5.7 | pKi | = | 5.7 | Binding | Guide to Pharmacology | 360 | 8 | 3 | 3 | 3.5 | CC#CCC([C@@H](/C=C/C1[C@H](O)C[C@H]2[C@@H]1C/C(=C/CCCC(=O)O)/C2)O)C | 10952683 | |||
CHEMBL236025 | 2005 | 0 | None | -218 | 16 | Human | 5.7 | pKi | = | 5.7 | Binding | Guide to Pharmacology | 360 | 8 | 3 | 3 | 3.5 | CC#CCC([C@@H](/C=C/C1[C@H](O)C[C@H]2[C@@H]1C/C(=C/CCCC(=O)O)/C2)O)C | 22480736 | |||
DB01088 | 2005 | 0 | None | -218 | 16 | Human | 5.7 | pKi | = | 5.7 | Binding | Guide to Pharmacology | 360 | 8 | 3 | 3 | 3.5 | CC#CCC([C@@H](/C=C/C1[C@H](O)C[C@H]2[C@@H]1C/C(=C/CCCC(=O)O)/C2)O)C | 10634944 | |||
DB01088 | 2005 | 0 | None | -218 | 16 | Human | 5.7 | pKi | = | 5.7 | Binding | Guide to Pharmacology | 360 | 8 | 3 | 3 | 3.5 | CC#CCC([C@@H](/C=C/C1[C@H](O)C[C@H]2[C@@H]1C/C(=C/CCCC(=O)O)/C2)O)C | 10952683 | |||
DB01088 | 2005 | 0 | None | -218 | 16 | Human | 5.7 | pKi | = | 5.7 | Binding | Guide to Pharmacology | 360 | 8 | 3 | 3 | 3.5 | CC#CCC([C@@H](/C=C/C1[C@H](O)C[C@H]2[C@@H]1C/C(=C/CCCC(=O)O)/C2)O)C | 22480736 | |||
2720 | 3852 | 59 | None | -138 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | Guide to Pharmacology | 390 | 10 | 3 | 4 | 3.6 | CCCCC[C@@H](CC[C@H]1[C@H](O)C[C@H]2[C@@H]1Cc1cccc(c1C2)OCC(=O)O)O | 22480736 | |||
5820 | 3852 | 59 | None | -138 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | Guide to Pharmacology | 390 | 10 | 3 | 4 | 3.6 | CCCCC[C@@H](CC[C@H]1[C@H](O)C[C@H]2[C@@H]1Cc1cccc(c1C2)OCC(=O)O)O | 22480736 | |||
6918140 | 3852 | 59 | None | -138 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | Guide to Pharmacology | 390 | 10 | 3 | 4 | 3.6 | CCCCC[C@@H](CC[C@H]1[C@H](O)C[C@H]2[C@@H]1Cc1cccc(c1C2)OCC(=O)O)O | 22480736 | |||
CHEMBL1237119 | 3852 | 59 | None | -138 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | Guide to Pharmacology | 390 | 10 | 3 | 4 | 3.6 | CCCCC[C@@H](CC[C@H]1[C@H](O)C[C@H]2[C@@H]1Cc1cccc(c1C2)OCC(=O)O)O | 22480736 | |||
DB00374 | 3852 | 59 | None | -138 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | Guide to Pharmacology | 390 | 10 | 3 | 4 | 3.6 | CCCCC[C@@H](CC[C@H]1[C@H](O)C[C@H]2[C@@H]1Cc1cccc(c1C2)OCC(=O)O)O | 22480736 | |||
1884 | 3081 | 52 | None | -18 | 22 | Rat | 6.2 | pKi | = | 6.2 | 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 | 9537820 | |||
5280363 | 3081 | 52 | None | -18 | 22 | Rat | 6.2 | pKi | = | 6.2 | 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 | 9537820 | |||
912 | 3081 | 52 | None | -18 | 22 | Rat | 6.2 | pKi | = | 6.2 | 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 | 9537820 | |||
CHEMBL815 | 3081 | 52 | None | -18 | 22 | Rat | 6.2 | pKi | = | 6.2 | 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 | 9537820 | |||
DB12789 | 3081 | 52 | None | -18 | 22 | Rat | 6.2 | pKi | = | 6.2 | 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 | 9537820 | |||
1913 | 2462 | 0 | None | -3548 | 15 | Mouse | 6.3 | pKi | = | 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 | 9313928 | |||
5311223 | 2462 | 0 | None | -3548 | 15 | Mouse | 6.3 | pKi | = | 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 | 9313928 | |||
1953 | 1895 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 544 | 9 | 1 | 6 | 4.8 | CCOc1c2C(=O)N(Cc2c(c2c1cccc2)OCC)c1ccc(cc1)CC(=O)NS(=O)(=O)c1ccccc1 | 15655509 | |||
1953 | 1895 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 544 | 9 | 1 | 6 | 4.8 | CCOc1c2C(=O)N(Cc2c(c2c1cccc2)OCC)c1ccc(cc1)CC(=O)NS(=O)(=O)c1ccccc1 | 16604093 | |||
5312130 | 1895 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 544 | 9 | 1 | 6 | 4.8 | CCOc1c2C(=O)N(Cc2c(c2c1cccc2)OCC)c1ccc(cc1)CC(=O)NS(=O)(=O)c1ccccc1 | 15655509 | |||
5312130 | 1895 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 544 | 9 | 1 | 6 | 4.8 | CCOc1c2C(=O)N(Cc2c(c2c1cccc2)OCC)c1ccc(cc1)CC(=O)NS(=O)(=O)c1ccccc1 | 16604093 | |||
CHEMBL1628527 | 1895 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 544 | 9 | 1 | 6 | 4.8 | CCOc1c2C(=O)N(Cc2c(c2c1cccc2)OCC)c1ccc(cc1)CC(=O)NS(=O)(=O)c1ccccc1 | 15655509 | |||
CHEMBL1628527 | 1895 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 544 | 9 | 1 | 6 | 4.8 | CCOc1c2C(=O)N(Cc2c(c2c1cccc2)OCC)c1ccc(cc1)CC(=O)NS(=O)(=O)c1ccccc1 | 16604093 | |||
15984632 | 2947 | 0 | None | -229 | 2 | Mouse | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 531 | 10 | 2 | 4 | 7.1 | CC(CC(c1cccc2c1cccc2)C(=O)Nc1cc(ccc1Cc1ccccc1C(=O)O)Cn1cccn1)C | 12538661 | |||
1943 | 2947 | 0 | None | -229 | 2 | Mouse | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 531 | 10 | 2 | 4 | 7.1 | CC(CC(c1cccc2c1cccc2)C(=O)Nc1cc(ccc1Cc1ccccc1C(=O)O)Cn1cccn1)C | 12538661 | |||
1952 | 2207 | 4 | None | -3 | 2 | Rat | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 654 | 10 | 1 | 8 | 6.6 | CCCCc1nn(c(=O)n1Cc1ccc(cc1)c1ccccc1S(=O)(=O)NC(=O)c1ccc(s1)C)c1ccccc1C(F)(F)F | 11408598 | |||
5312129 | 2207 | 4 | None | -3 | 2 | Rat | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 654 | 10 | 1 | 8 | 6.6 | CCCCc1nn(c(=O)n1Cc1ccc(cc1)c1ccccc1S(=O)(=O)NC(=O)c1ccc(s1)C)c1ccccc1C(F)(F)F | 11408598 | |||
CHEMBL1182768 | 2207 | 4 | None | -3 | 2 | Rat | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 654 | 10 | 1 | 8 | 6.6 | CCCCc1nn(c(=O)n1Cc1ccc(cc1)c1ccccc1S(=O)(=O)NC(=O)c1ccc(s1)C)c1ccccc1C(F)(F)F | 11408598 | |||
133081958 | 1202 | 0 | None | -1 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 472 | 6 | 2 | 3 | 5.0 | O=C([C@H]1CC2(CCN1Cc1ccc(cc1)C(F)(F)F)CC2)NC1(CC1)c1ccc(cc1)C(=O)O | 29490676 | |||
9845 | 1202 | 0 | None | -1 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 472 | 6 | 2 | 3 | 5.0 | O=C([C@H]1CC2(CCN1Cc1ccc(cc1)C(F)(F)F)CC2)NC1(CC1)c1ccc(cc1)C(=O)O | 29490676 | |||
11677589 | 1857 | 56 | None | -3 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 491 | 7 | 2 | 6 | 4.1 | CCc1nc2c(n1c1ccc(cc1)CCNC(=O)NS(=O)(=O)c1ccc(cc1)C)cc(nc2C)C | 17495127 | |||
5858 | 1857 | 56 | None | -3 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 491 | 7 | 2 | 6 | 4.1 | CCc1nc2c(n1c1ccc(cc1)CCNC(=O)NS(=O)(=O)c1ccc(cc1)C)cc(nc2C)C | 17495127 | |||
CHEMBL3039498 | 1857 | 56 | None | -3 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 491 | 7 | 2 | 6 | 4.1 | CCc1nc2c(n1c1ccc(cc1)CCNC(=O)NS(=O)(=O)c1ccc(cc1)C)cc(nc2C)C | 17495127 | |||
DB12836 | 1857 | 56 | None | -3 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 491 | 7 | 2 | 6 | 4.1 | CCc1nc2c(n1c1ccc(cc1)CCNC(=O)NS(=O)(=O)c1ccc(cc1)C)cc(nc2C)C | 17495127 | |||
3380 | 626 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 496 | 8 | 1 | 7 | 3.7 | COc1ccc(nc1)c1ccc(cc1)OCC1CC(OC1C)C(=O)NS(=O)(=O)c1ccccc1C | 19154437 | |||
73755047 | 626 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 496 | 8 | 1 | 7 | 3.7 | COc1ccc(nc1)c1ccc(cc1)OCC1CC(OC1C)C(=O)NS(=O)(=O)c1ccccc1C | 19154437 | |||
1933 | 2941 | 0 | None | 120 | 3 | Mouse | 8.0 | pKi | = | 8 | Binding | Guide to Pharmacology | 468 | 14 | 3 | 7 | 2.9 | COCc1ccccc1CC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1SCCCSCC(=O)O)O | 10746663 | |||
5311230 | 2941 | 0 | None | 120 | 3 | Mouse | 8.0 | pKi | = | 8 | Binding | Guide to Pharmacology | 468 | 14 | 3 | 7 | 2.9 | COCc1ccccc1CC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1SCCCSCC(=O)O)O | 10746663 | |||
1952 | 2207 | 4 | None | 3 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | Guide to Pharmacology | 654 | 10 | 1 | 8 | 6.6 | CCCCc1nn(c(=O)n1Cc1ccc(cc1)c1ccccc1S(=O)(=O)NC(=O)c1ccc(s1)C)c1ccccc1C(F)(F)F | 11408598 | |||
5312129 | 2207 | 4 | None | 3 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | Guide to Pharmacology | 654 | 10 | 1 | 8 | 6.6 | CCCCc1nn(c(=O)n1Cc1ccc(cc1)c1ccccc1S(=O)(=O)NC(=O)c1ccc(s1)C)c1ccccc1C(F)(F)F | 11408598 | |||
CHEMBL1182768 | 2207 | 4 | None | 3 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | Guide to Pharmacology | 654 | 10 | 1 | 8 | 6.6 | CCCCc1nn(c(=O)n1Cc1ccc(cc1)c1ccccc1S(=O)(=O)NC(=O)c1ccc(s1)C)c1ccccc1C(F)(F)F | 11408598 | |||
10111831 | 2945 | 0 | None | -2 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | 404 | 7 | 2 | 3 | 5.0 | N#Cc1ccc(c(c1)NC(=O)C(c1ccc(c2c1cccc2)F)C)CCCC(=O)O | None | |||
1942 | 2945 | 0 | None | -2 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | 404 | 7 | 2 | 3 | 5.0 | N#Cc1ccc(c(c1)NC(=O)C(c1ccc(c2c1cccc2)F)C)CCCC(=O)O | None | |||
11524454 | 945 | 55 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | 413 | 6 | 2 | 3 | 5.5 | Clc1ccc(c(c1)C(=O)N[C@H](c1ccc(cc1)C(=O)O)C)Oc1ccc(cc1)F | 18031725 | |||
5857 | 945 | 55 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | 413 | 6 | 2 | 3 | 5.5 | Clc1ccc(c(c1)C(=O)N[C@H](c1ccc(cc1)C(=O)O)C)Oc1ccc(cc1)F | 18031725 | |||
CHEMBL591666 | 945 | 55 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | 413 | 6 | 2 | 3 | 5.5 | Clc1ccc(c(c1)C(=O)N[C@H](c1ccc(cc1)C(=O)O)C)Oc1ccc(cc1)F | 18031725 | |||
5311232 | 2943 | 13 | None | 2 | 3 | Mouse | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | 409 | 6 | 2 | 2 | 5.9 | O=C(C(c1cccc2c1cccc2)C)Nc1ccccc1Cc1ccccc1C(=O)O | 11782353 | |||
5824 | 2943 | 13 | None | 2 | 3 | Mouse | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | 409 | 6 | 2 | 2 | 5.9 | O=C(C(c1cccc2c1cccc2)C)Nc1ccccc1Cc1ccccc1C(=O)O | 11782353 | |||
CHEMBL3260772 | 2943 | 13 | None | 2 | 3 | Mouse | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | 409 | 6 | 2 | 2 | 5.9 | O=C(C(c1cccc2c1cccc2)C)Nc1ccccc1Cc1ccccc1C(=O)O | 11782353 | |||
1883 | 3080 | 75 | None | -1 | 24 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10462542 | |||
1883 | 3080 | 75 | None | -1 | 24 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10634944 | |||
1883 | 3080 | 75 | None | -1 | 24 | Human | 8.6 | pKi | = | 8.6 | 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 | 10952683 | |||
1883 | 3080 | 75 | None | -1 | 24 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 16604093 | |||
1883 | 3080 | 75 | None | -1 | 24 | Human | 8.6 | pKi | = | 8.6 | 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 | 17495127 | |||
1916 | 3080 | 75 | None | -1 | 24 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10462542 | |||
1916 | 3080 | 75 | None | -1 | 24 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10634944 | |||
1916 | 3080 | 75 | None | -1 | 24 | Human | 8.6 | pKi | = | 8.6 | 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 | 10952683 | |||
1916 | 3080 | 75 | None | -1 | 24 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 16604093 | |||
1916 | 3080 | 75 | None | -1 | 24 | Human | 8.6 | pKi | = | 8.6 | 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 | 17495127 | |||
5280360 | 3080 | 75 | None | -1 | 24 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10462542 | |||
5280360 | 3080 | 75 | None | -1 | 24 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10634944 | |||
5280360 | 3080 | 75 | None | -1 | 24 | Human | 8.6 | pKi | = | 8.6 | 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 | 10952683 | |||
5280360 | 3080 | 75 | None | -1 | 24 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 16604093 | |||
5280360 | 3080 | 75 | None | -1 | 24 | Human | 8.6 | pKi | = | 8.6 | 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 | 17495127 | |||
913 | 3080 | 75 | None | -1 | 24 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10462542 | |||
913 | 3080 | 75 | None | -1 | 24 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10634944 | |||
913 | 3080 | 75 | None | -1 | 24 | Human | 8.6 | pKi | = | 8.6 | 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 | 10952683 | |||
913 | 3080 | 75 | None | -1 | 24 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 16604093 | |||
913 | 3080 | 75 | None | -1 | 24 | Human | 8.6 | pKi | = | 8.6 | 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 | 17495127 | |||
CHEMBL548 | 3080 | 75 | None | -1 | 24 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10462542 | |||
CHEMBL548 | 3080 | 75 | None | -1 | 24 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10634944 | |||
CHEMBL548 | 3080 | 75 | None | -1 | 24 | Human | 8.6 | pKi | = | 8.6 | 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 | 10952683 | |||
CHEMBL548 | 3080 | 75 | None | -1 | 24 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 16604093 | |||
CHEMBL548 | 3080 | 75 | None | -1 | 24 | Human | 8.6 | pKi | = | 8.6 | 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 | 17495127 | |||
DB00917 | 3080 | 75 | None | -1 | 24 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10462542 | |||
DB00917 | 3080 | 75 | None | -1 | 24 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10634944 | |||
DB00917 | 3080 | 75 | None | -1 | 24 | Human | 8.6 | pKi | = | 8.6 | 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 | 10952683 | |||
DB00917 | 3080 | 75 | None | -1 | 24 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 16604093 | |||
DB00917 | 3080 | 75 | None | -1 | 24 | Human | 8.6 | pKi | = | 8.6 | 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 | 17495127 | |||
1929 | 1603 | 55 | None | 11 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | 468 | 9 | 1 | 5 | 4.2 | OC(=O)COc1cccc(c1)CN(S(=O)(=O)c1cccnc1)Cc1ccc(cc1)C(C)(C)C | 18155068 | |||
9890801 | 1603 | 55 | None | 11 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | 468 | 9 | 1 | 5 | 4.2 | OC(=O)COc1cccc(c1)CN(S(=O)(=O)c1cccnc1)Cc1ccc(cc1)C(C)(C)C | 18155068 | |||
CHEMBL563646 | 1603 | 55 | None | 11 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | 468 | 9 | 1 | 5 | 4.2 | OC(=O)COc1cccc(c1)CN(S(=O)(=O)c1cccnc1)Cc1ccc(cc1)C(C)(C)C | 18155068 | |||
DB12022 | 1603 | 55 | None | 11 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | 468 | 9 | 1 | 5 | 4.2 | OC(=O)COc1cccc(c1)CN(S(=O)(=O)c1cccnc1)Cc1ccc(cc1)C(C)(C)C | 18155068 | |||
1883 | 3080 | 75 | None | -3 | 24 | Mouse | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10746663 | |||
1883 | 3080 | 75 | None | -3 | 24 | Mouse | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 9313928 | |||
1916 | 3080 | 75 | None | -3 | 24 | Mouse | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10746663 | |||
1916 | 3080 | 75 | None | -3 | 24 | Mouse | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 9313928 | |||
5280360 | 3080 | 75 | None | -3 | 24 | Mouse | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10746663 | |||
5280360 | 3080 | 75 | None | -3 | 24 | Mouse | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 9313928 | |||
913 | 3080 | 75 | None | -3 | 24 | Mouse | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10746663 | |||
913 | 3080 | 75 | None | -3 | 24 | Mouse | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 9313928 | |||
CHEMBL548 | 3080 | 75 | None | -3 | 24 | Mouse | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10746663 | |||
CHEMBL548 | 3080 | 75 | None | -3 | 24 | Mouse | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 9313928 | |||
DB00917 | 3080 | 75 | None | -3 | 24 | Mouse | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10746663 | |||
DB00917 | 3080 | 75 | None | -3 | 24 | Mouse | 8.6 | pKi | = | 8.6 | 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 | |||
138 | 3079 | 88 | None | -1 | 18 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | 10952683 | |||
149351 | 3079 | 88 | None | -1 | 18 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | 10952683 | |||
1882 | 3079 | 88 | None | -1 | 18 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | 10952683 | |||
5280723 | 3079 | 88 | None | -1 | 18 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | 10952683 | |||
CHEMBL495 | 3079 | 88 | None | -1 | 18 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | 10952683 | |||
DB00770 | 3079 | 88 | None | -1 | 18 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | 10952683 | |||
1881 | 3077 | 0 | None | -83 | 21 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1C(=O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O)O | 10462542 | |||
1881 | 3077 | 0 | None | -83 | 21 | Human | 8.9 | pKi | = | 8.9 | 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 | 10952683 | |||
1891 | 3077 | 0 | None | -83 | 21 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1C(=O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O)O | 10462542 | |||
1891 | 3077 | 0 | None | -83 | 21 | Human | 8.9 | pKi | = | 8.9 | 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 | 10952683 | |||
448457 | 3077 | 0 | None | -83 | 21 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1C(=O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O)O | 10462542 | |||
448457 | 3077 | 0 | None | -83 | 21 | Human | 8.9 | pKi | = | 8.9 | 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 | 10952683 | |||
CHEMBL1235252 | 3077 | 0 | None | -83 | 21 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1C(=O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O)O | 10462542 | |||
CHEMBL1235252 | 3077 | 0 | None | -83 | 21 | Human | 8.9 | pKi | = | 8.9 | 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 | 10952683 | |||
DB02056 | 3077 | 0 | None | -83 | 21 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1C(=O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O)O | 10462542 | |||
DB02056 | 3077 | 0 | None | -83 | 21 | Human | 8.9 | pKi | = | 8.9 | 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 | 10952683 | |||
5859 | 3765 | 26 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | 383 | 11 | 2 | 5 | 2.5 | O[C@@H](Cc1ccccc1)/C=C/[C@H]1CCC(=O)N1CCCCCCc1nnn[nH]1 | None | |||
9864831 | 3765 | 26 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | 383 | 11 | 2 | 5 | 2.5 | O[C@@H](Cc1ccccc1)/C=C/[C@H]1CCC(=O)N1CCCCCCc1nnn[nH]1 | None | |||
CHEMBL275667 | 3765 | 26 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | 383 | 11 | 2 | 5 | 2.5 | O[C@@H](Cc1ccccc1)/C=C/[C@H]1CCC(=O)N1CCCCCCc1nnn[nH]1 | None | |||
15948325 | 2524 | 45 | None | 512 | 6 | Human | 9.2 | pKi | = | 9.2 | Binding | Guide to Pharmacology | 603 | 11 | 1 | 8 | 4.7 | CCOc1c2CN(C(=O)c2c(c2c1nccc2)OCC)c1ccc(cc1C)CS(=O)(=O)NC(=O)Cc1ccccc1OC | 18287210 | |||
5856 | 2524 | 45 | None | 512 | 6 | Human | 9.2 | pKi | = | 9.2 | Binding | Guide to Pharmacology | 603 | 11 | 1 | 8 | 4.7 | CCOc1c2CN(C(=O)c2c(c2c1nccc2)OCC)c1ccc(cc1C)CS(=O)(=O)NC(=O)Cc1ccccc1OC | 18287210 | |||
CHEMBL402162 | 2524 | 45 | None | 512 | 6 | Human | 9.2 | pKi | = | 9.2 | Binding | Guide to Pharmacology | 603 | 11 | 1 | 8 | 4.7 | CCOc1c2CN(C(=O)c2c(c2c1nccc2)OCC)c1ccc(cc1C)CS(=O)(=O)NC(=O)Cc1ccccc1OC | 18287210 | |||
8541 | 2942 | 2 | None | -1 | 4 | Mouse | 9.2 | pKi | = | 9.2 | Binding | Guide to Pharmacology | 436 | 13 | 3 | 6 | 2.8 | COCc1cccc(c1)C[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCSCCCC(=O)O)O | 12954235 | |||
9824353 | 2942 | 2 | None | -1 | 4 | Mouse | 9.2 | pKi | = | 9.2 | Binding | Guide to Pharmacology | 436 | 13 | 3 | 6 | 2.8 | COCc1cccc(c1)C[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCSCCCC(=O)O)O | 12954235 | |||
CHEMBL292964 | 2942 | 2 | None | -1 | 4 | Mouse | 9.2 | pKi | = | 9.2 | Binding | Guide to Pharmacology | 436 | 13 | 3 | 6 | 2.8 | COCc1cccc(c1)C[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCSCCCC(=O)O)O | 12954235 | |||
4040 | 1577 | 0 | None | - | 1 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | 489 | 5 | 0 | 4 | 5.6 | CCN1C(=O)N2C(=C[C@@H](c3c(C2)cc(OC)cc3OC)C)C21CCN(CC2)Cc1cc(C)cc(c1)C | 20163116 | |||
42596951 | 1577 | 0 | None | - | 1 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | 489 | 5 | 0 | 4 | 5.6 | CCN1C(=O)N2C(=C[C@@H](c3c(C2)cc(OC)cc3OC)C)C21CCN(CC2)Cc1cc(C)cc(c1)C | 20163116 | |||
24952929 | 2552 | 42 | None | 1 | 5 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | 473 | 6 | 2 | 3 | 6.1 | OC(=O)c1ccc(cc1)C1(CC1)NC(=O)c1c(C)sc(c1Cc1ccc(cc1)C(F)(F)F)C | 10634944 | |||
24952929 | 2552 | 42 | None | 1 | 5 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | 473 | 6 | 2 | 3 | 6.1 | OC(=O)c1ccc(cc1)C1(CC1)NC(=O)c1c(C)sc(c1Cc1ccc(cc1)C(F)(F)F)C | 18287210 | |||
24952929 | 2552 | 42 | None | 1 | 5 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | 473 | 6 | 2 | 3 | 6.1 | OC(=O)c1ccc(cc1)C1(CC1)NC(=O)c1c(C)sc(c1Cc1ccc(cc1)C(F)(F)F)C | 20163116 | |||
4041 | 2552 | 42 | None | 1 | 5 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | 473 | 6 | 2 | 3 | 6.1 | OC(=O)c1ccc(cc1)C1(CC1)NC(=O)c1c(C)sc(c1Cc1ccc(cc1)C(F)(F)F)C | 10634944 | |||
4041 | 2552 | 42 | None | 1 | 5 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | 473 | 6 | 2 | 3 | 6.1 | OC(=O)c1ccc(cc1)C1(CC1)NC(=O)c1c(C)sc(c1Cc1ccc(cc1)C(F)(F)F)C | 18287210 | |||
4041 | 2552 | 42 | None | 1 | 5 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | 473 | 6 | 2 | 3 | 6.1 | OC(=O)c1ccc(cc1)C1(CC1)NC(=O)c1c(C)sc(c1Cc1ccc(cc1)C(F)(F)F)C | 20163116 | |||
CHEMBL597997 | 2552 | 42 | None | 1 | 5 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | 473 | 6 | 2 | 3 | 6.1 | OC(=O)c1ccc(cc1)C1(CC1)NC(=O)c1c(C)sc(c1Cc1ccc(cc1)C(F)(F)F)C | 10634944 | |||
CHEMBL597997 | 2552 | 42 | None | 1 | 5 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | 473 | 6 | 2 | 3 | 6.1 | OC(=O)c1ccc(cc1)C1(CC1)NC(=O)c1c(C)sc(c1Cc1ccc(cc1)C(F)(F)F)C | 18287210 | |||
CHEMBL597997 | 2552 | 42 | None | 1 | 5 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | 473 | 6 | 2 | 3 | 6.1 | OC(=O)c1ccc(cc1)C1(CC1)NC(=O)c1c(C)sc(c1Cc1ccc(cc1)C(F)(F)F)C | 20163116 | |||
1884 | 3081 | 52 | None | -15 | 22 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | 354 | 12 | 4 | 4 | 3.0 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O)O | 10462542 | |||
1884 | 3081 | 52 | None | -15 | 22 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | 354 | 12 | 4 | 4 | 3.0 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O)O | 10634944 | |||
1884 | 3081 | 52 | None | -15 | 22 | Human | 9.3 | pKi | = | 9.3 | 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 | 10952683 | |||
5280363 | 3081 | 52 | None | -15 | 22 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | 354 | 12 | 4 | 4 | 3.0 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O)O | 10462542 | |||
5280363 | 3081 | 52 | None | -15 | 22 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | 354 | 12 | 4 | 4 | 3.0 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O)O | 10634944 | |||
5280363 | 3081 | 52 | None | -15 | 22 | Human | 9.3 | pKi | = | 9.3 | 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 | 10952683 | |||
912 | 3081 | 52 | None | -15 | 22 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | 354 | 12 | 4 | 4 | 3.0 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O)O | 10462542 | |||
912 | 3081 | 52 | None | -15 | 22 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | 354 | 12 | 4 | 4 | 3.0 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O)O | 10634944 | |||
912 | 3081 | 52 | None | -15 | 22 | Human | 9.3 | pKi | = | 9.3 | 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 | 10952683 | |||
CHEMBL815 | 3081 | 52 | None | -15 | 22 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | 354 | 12 | 4 | 4 | 3.0 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O)O | 10462542 | |||
CHEMBL815 | 3081 | 52 | None | -15 | 22 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | 354 | 12 | 4 | 4 | 3.0 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O)O | 10634944 | |||
CHEMBL815 | 3081 | 52 | None | -15 | 22 | Human | 9.3 | pKi | = | 9.3 | 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 | 10952683 | |||
DB12789 | 3081 | 52 | None | -15 | 22 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | 354 | 12 | 4 | 4 | 3.0 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O)O | 10462542 | |||
DB12789 | 3081 | 52 | None | -15 | 22 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | 354 | 12 | 4 | 4 | 3.0 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O)O | 10634944 | |||
DB12789 | 3081 | 52 | None | -15 | 22 | Human | 9.3 | pKi | = | 9.3 | 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 | 10952683 | |||
12521 | 2195 | 0 | None | -1 | 4 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | 399 | 11 | 2 | 3 | 3.6 | FC1(C(N([C@H](C1)/C=C/[C@H]([C@H](CC#CCC)C)O)CCCCCCC(=O)O)=O)F | 30964292 | |||
72722131 | 2195 | 0 | None | -1 | 4 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | 399 | 11 | 2 | 3 | 3.6 | FC1(C(N([C@H](C1)/C=C/[C@H]([C@H](CC#CCC)C)O)CCCCCCC(=O)O)=O)F | 30964292 | |||
CHEMBL3918816 | 2195 | 0 | None | -1 | 4 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | 399 | 11 | 2 | 3 | 3.6 | FC1(C(N([C@H](C1)/C=C/[C@H]([C@H](CC#CCC)C)O)CCCCCCC(=O)O)=O)F | 30964292 | |||
11316084 | 2262 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | 419 | 11 | 2 | 5 | 3.0 | O=C1CC[C@@H](N1CCCCCCc1nnn[nH]1)/C=C/[C@H](C(c1ccccc1)(F)F)O | None | |||
3357 | 2262 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | 419 | 11 | 2 | 5 | 3.0 | O=C1CC[C@@H](N1CCCCCCc1nnn[nH]1)/C=C/[C@H](C(c1ccccc1)(F)F)O | None | |||
CHEMBL1956373 | 2262 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | 419 | 11 | 2 | 5 | 3.0 | O=C1CC[C@@H](N1CCCCCCc1nnn[nH]1)/C=C/[C@H](C(c1ccccc1)(F)F)O | None | |||
134689669 | 216048 | 0 | None | -407 | 12 | Human | 8.3 | pKi | None | 8.3 | 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 | |||
1892 | 746 | 20 | None | -316 | 9 | Human | 4.7 | pKi | None | 4.7 | Binding | Guide to Pharmacology | 394 | 13 | 3 | 4 | 4.3 | CCCC1(CCC1)[C@H](C/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | 10634944 | |||
25886893 | 746 | 20 | None | -316 | 9 | Human | 4.7 | pKi | None | 4.7 | Binding | Guide to Pharmacology | 394 | 13 | 3 | 4 | 4.3 | CCCC1(CCC1)[C@H](C/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | 10634944 | |||
CHEMBL1628262 | 746 | 20 | None | -316 | 9 | Human | 4.7 | pKi | None | 4.7 | Binding | Guide to Pharmacology | 394 | 13 | 3 | 4 | 4.3 | CCCC1(CCC1)[C@H](C/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | 10634944 | |||
1892 | 746 | 20 | None | -251 | 9 | Rat | 4.8 | pKi | None | 4.8 | Binding | Guide to Pharmacology | 394 | 13 | 3 | 4 | 4.3 | CCCC1(CCC1)[C@H](C/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | 9537820 | |||
25886893 | 746 | 20 | None | -251 | 9 | Rat | 4.8 | pKi | None | 4.8 | Binding | Guide to Pharmacology | 394 | 13 | 3 | 4 | 4.3 | CCCC1(CCC1)[C@H](C/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | 9537820 | |||
CHEMBL1628262 | 746 | 20 | None | -251 | 9 | Rat | 4.8 | pKi | None | 4.8 | Binding | Guide to Pharmacology | 394 | 13 | 3 | 4 | 4.3 | CCCC1(CCC1)[C@H](C/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | 9537820 | |||
1949 | 318 | 0 | None | -12 | 3 | Human | 5.0 | pKi | None | 5 | Binding | Guide to Pharmacology | 477 | 11 | 1 | 5 | 4.7 | OC(=O)CC/C=C\CC[C@H]1[C@@H](OCc2ccc(cc2)c2ccccc2)CC(=O)[C@@H]1N1CCOCC1 | 10634944 | |||
5310999 | 318 | 0 | None | -12 | 3 | Human | 5.0 | pKi | None | 5 | Binding | Guide to Pharmacology | 477 | 11 | 1 | 5 | 4.7 | OC(=O)CC/C=C\CC[C@H]1[C@@H](OCc2ccc(cc2)c2ccccc2)CC(=O)[C@@H]1N1CCOCC1 | 10634944 | |||
1950 | 319 | 0 | None | - | 1 | Rat | 5.0 | pKi | None | 5 | Binding | Guide to Pharmacology | 477 | 11 | 1 | 5 | 4.7 | OC(=O)CC/C=C/CCC1C(OCc2ccc(cc2)c2ccccc2)CC(=O)C1N1CCOCC1 | 9537820 | |||
6435402 | 319 | 0 | None | - | 1 | Rat | 5.0 | pKi | None | 5 | Binding | Guide to Pharmacology | 477 | 11 | 1 | 5 | 4.7 | OC(=O)CC/C=C/CCC1C(OCc2ccc(cc2)c2ccccc2)CC(=O)C1N1CCOCC1 | 9537820 | |||
1949 | 318 | 0 | None | -12 | 3 | Rat | 5.1 | pKi | None | 5.1 | Binding | Guide to Pharmacology | 477 | 11 | 1 | 5 | 4.7 | OC(=O)CC/C=C\CC[C@H]1[C@@H](OCc2ccc(cc2)c2ccccc2)CC(=O)[C@@H]1N1CCOCC1 | 9537820 | |||
5310999 | 318 | 0 | None | -12 | 3 | Rat | 5.1 | pKi | None | 5.1 | Binding | Guide to Pharmacology | 477 | 11 | 1 | 5 | 4.7 | OC(=O)CC/C=C\CC[C@H]1[C@@H](OCc2ccc(cc2)c2ccccc2)CC(=O)[C@@H]1N1CCOCC1 | 9537820 | |||
1034 | 3083 | 0 | None | -501 | 3 | Human | 5.1 | pKi | None | 5.1 | Binding | Guide to Pharmacology | 352 | 10 | 3 | 4 | 3.4 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)C[C@H]2[C@@H]1C/C(=C/CCCC(=O)O)/O2)O | 10952683 | |||
1915 | 3083 | 0 | None | -501 | 3 | Human | 5.1 | pKi | None | 5.1 | Binding | Guide to Pharmacology | 352 | 10 | 3 | 4 | 3.4 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)C[C@H]2[C@@H]1C/C(=C/CCCC(=O)O)/O2)O | 10952683 | |||
5280427 | 3083 | 0 | None | -501 | 3 | Human | 5.1 | pKi | None | 5.1 | Binding | Guide to Pharmacology | 352 | 10 | 3 | 4 | 3.4 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)C[C@H]2[C@@H]1C/C(=C/CCCC(=O)O)/O2)O | 10952683 | |||
5282411 | 3083 | 0 | None | -501 | 3 | Human | 5.1 | pKi | None | 5.1 | Binding | Guide to Pharmacology | 352 | 10 | 3 | 4 | 3.4 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)C[C@H]2[C@@H]1C/C(=C/CCCC(=O)O)/O2)O | 10952683 | |||
CHEMBL1139 | 3083 | 0 | None | -501 | 3 | Human | 5.1 | pKi | None | 5.1 | Binding | Guide to Pharmacology | 352 | 10 | 3 | 4 | 3.4 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)C[C@H]2[C@@H]1C/C(=C/CCCC(=O)O)/O2)O | 10952683 | |||
DB01240 | 3083 | 0 | None | -501 | 3 | Human | 5.1 | pKi | None | 5.1 | Binding | Guide to Pharmacology | 352 | 10 | 3 | 4 | 3.4 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)C[C@H]2[C@@H]1C/C(=C/CCCC(=O)O)/O2)O | 10952683 | |||
1949 | 318 | 0 | None | -12 | 3 | Human | 5.3 | pKi | None | 5.3 | Binding | Guide to Pharmacology | 477 | 11 | 1 | 5 | 4.7 | OC(=O)CC/C=C\CC[C@H]1[C@@H](OCc2ccc(cc2)c2ccccc2)CC(=O)[C@@H]1N1CCOCC1 | 10634944 | |||
1949 | 318 | 0 | None | -12 | 3 | Human | 5.3 | pKi | None | 5.3 | Binding | Guide to Pharmacology | 477 | 11 | 1 | 5 | 4.7 | OC(=O)CC/C=C\CC[C@H]1[C@@H](OCc2ccc(cc2)c2ccccc2)CC(=O)[C@@H]1N1CCOCC1 | 10952683 | |||
5310999 | 318 | 0 | None | -12 | 3 | Human | 5.3 | pKi | None | 5.3 | Binding | Guide to Pharmacology | 477 | 11 | 1 | 5 | 4.7 | OC(=O)CC/C=C\CC[C@H]1[C@@H](OCc2ccc(cc2)c2ccccc2)CC(=O)[C@@H]1N1CCOCC1 | 10634944 | |||
5310999 | 318 | 0 | None | -12 | 3 | Human | 5.3 | pKi | None | 5.3 | Binding | Guide to Pharmacology | 477 | 11 | 1 | 5 | 4.7 | OC(=O)CC/C=C\CC[C@H]1[C@@H](OCc2ccc(cc2)c2ccccc2)CC(=O)[C@@H]1N1CCOCC1 | 10952683 | |||
1817 | 2540 | 68 | None | -9 | 12 | Human | 5.3 | pKi | None | 5.3 | Binding | Guide to Pharmacology | 382 | 13 | 2 | 5 | 4.0 | CCCCC(C/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)OC)(O)C | 10634944 | |||
1936 | 2540 | 68 | None | -9 | 12 | Human | 5.3 | pKi | None | 5.3 | Binding | Guide to Pharmacology | 382 | 13 | 2 | 5 | 4.0 | CCCCC(C/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)OC)(O)C | 10634944 | |||
5282381 | 2540 | 68 | None | -9 | 12 | Human | 5.3 | pKi | None | 5.3 | Binding | Guide to Pharmacology | 382 | 13 | 2 | 5 | 4.0 | CCCCC(C/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)OC)(O)C | 10634944 | |||
CHEMBL606 | 2540 | 68 | None | -9 | 12 | Human | 5.3 | pKi | None | 5.3 | Binding | Guide to Pharmacology | 382 | 13 | 2 | 5 | 4.0 | CCCCC(C/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)OC)(O)C | 10634944 | |||
DB00929 | 2540 | 68 | None | -9 | 12 | Human | 5.3 | pKi | None | 5.3 | Binding | Guide to Pharmacology | 382 | 13 | 2 | 5 | 4.0 | CCCCC(C/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)OC)(O)C | 10634944 | |||
1893 | 794 | 0 | None | -177 | 13 | Mouse | 5.6 | pKi | None | 5.6 | Binding | Guide to Pharmacology | 350 | 10 | 3 | 3 | 4.1 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)C[C@H]2[C@@H]1C/C(=C\CCCC(=O)O)/C2)O | 9313928 | |||
5311242 | 794 | 0 | None | -177 | 13 | Mouse | 5.6 | pKi | None | 5.6 | Binding | Guide to Pharmacology | 350 | 10 | 3 | 3 | 4.1 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)C[C@H]2[C@@H]1C/C(=C\CCCC(=O)O)/C2)O | 9313928 | |||
CHEMBL148319 | 794 | 0 | None | -177 | 13 | Mouse | 5.6 | pKi | None | 5.6 | Binding | Guide to Pharmacology | 350 | 10 | 3 | 3 | 4.1 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)C[C@H]2[C@@H]1C/C(=C\CCCC(=O)O)/C2)O | 9313928 | |||
1895 | 2005 | 0 | None | -251 | 16 | Mouse | 5.6 | pKi | None | 5.6 | Binding | Guide to Pharmacology | 360 | 8 | 3 | 3 | 3.5 | CC#CCC([C@@H](/C=C/C1[C@H](O)C[C@H]2[C@@H]1C/C(=C/CCCC(=O)O)/C2)O)C | 9313928 | |||
6435378 | 2005 | 0 | None | -251 | 16 | Mouse | 5.6 | pKi | None | 5.6 | Binding | Guide to Pharmacology | 360 | 8 | 3 | 3 | 3.5 | CC#CCC([C@@H](/C=C/C1[C@H](O)C[C@H]2[C@@H]1C/C(=C/CCCC(=O)O)/C2)O)C | 9313928 | |||
CHEMBL236025 | 2005 | 0 | None | -251 | 16 | Mouse | 5.6 | pKi | None | 5.6 | Binding | Guide to Pharmacology | 360 | 8 | 3 | 3 | 3.5 | CC#CCC([C@@H](/C=C/C1[C@H](O)C[C@H]2[C@@H]1C/C(=C/CCCC(=O)O)/C2)O)C | 9313928 | |||
DB01088 | 2005 | 0 | None | -251 | 16 | Mouse | 5.6 | pKi | None | 5.6 | Binding | Guide to Pharmacology | 360 | 8 | 3 | 3 | 3.5 | CC#CCC([C@@H](/C=C/C1[C@H](O)C[C@H]2[C@@H]1C/C(=C/CCCC(=O)O)/C2)O)C | 9313928 | |||
1888 | 3898 | 29 | None | -100 | 17 | Rat | 5.6 | pKi | None | 5.6 | 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 | 9537820 | |||
1974 | 3898 | 29 | None | -100 | 17 | Rat | 5.6 | pKi | None | 5.6 | 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 | 9537820 | |||
5311493 | 3898 | 29 | None | -100 | 17 | Rat | 5.6 | pKi | None | 5.6 | 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 | 9537820 | |||
CHEMBL521784 | 3898 | 29 | None | -100 | 17 | Rat | 5.6 | pKi | None | 5.6 | 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 | 9537820 | |||
1888 | 3898 | 29 | None | -134 | 17 | Human | 5.7 | pKi | None | 5.7 | Binding | Guide to Pharmacology | 350 | 12 | 2 | 3 | 4.3 | CCCCC[C@@H](/C=C/[C@H]1[C@@H]2OC[C@H]([C@@H]1C/C=C\CCCC(=O)O)C2)O | 10634944 | |||
1974 | 3898 | 29 | None | -134 | 17 | Human | 5.7 | pKi | None | 5.7 | Binding | Guide to Pharmacology | 350 | 12 | 2 | 3 | 4.3 | CCCCC[C@@H](/C=C/[C@H]1[C@@H]2OC[C@H]([C@@H]1C/C=C\CCCC(=O)O)C2)O | 10634944 | |||
5311493 | 3898 | 29 | None | -134 | 17 | Human | 5.7 | pKi | None | 5.7 | Binding | Guide to Pharmacology | 350 | 12 | 2 | 3 | 4.3 | CCCCC[C@@H](/C=C/[C@H]1[C@@H]2OC[C@H]([C@@H]1C/C=C\CCCC(=O)O)C2)O | 10634944 | |||
CHEMBL521784 | 3898 | 29 | None | -134 | 17 | Human | 5.7 | pKi | None | 5.7 | 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 | |||
1881 | 3077 | 0 | None | -575 | 21 | Rat | 5.9 | pKi | None | 5.9 | Binding | Guide to Pharmacology | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1C(=O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O)O | 9537820 | |||
1891 | 3077 | 0 | None | -575 | 21 | Rat | 5.9 | pKi | None | 5.9 | Binding | Guide to Pharmacology | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1C(=O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O)O | 9537820 | |||
448457 | 3077 | 0 | None | -575 | 21 | Rat | 5.9 | pKi | None | 5.9 | Binding | Guide to Pharmacology | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1C(=O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O)O | 9537820 | |||
CHEMBL1235252 | 3077 | 0 | None | -575 | 21 | Rat | 5.9 | pKi | None | 5.9 | Binding | Guide to Pharmacology | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1C(=O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O)O | 9537820 | |||
DB02056 | 3077 | 0 | None | -575 | 21 | Rat | 5.9 | pKi | None | 5.9 | Binding | Guide to Pharmacology | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1C(=O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O)O | 9537820 | |||
1893 | 794 | 0 | None | -22 | 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 | 794 | 0 | None | -22 | 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 | 794 | 0 | None | -22 | 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 | |||
1944 | 36 | 0 | None | - | 1 | Mouse | 6.7 | pKi | None | 6.7 | Binding | Guide to Pharmacology | 370 | 13 | 4 | 5 | 2.4 | O[C@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)CCCC(O)C | 9313928 | |||
6438402 | 36 | 0 | None | - | 1 | Mouse | 6.7 | pKi | None | 6.7 | Binding | Guide to Pharmacology | 370 | 13 | 4 | 5 | 2.4 | O[C@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)CCCC(O)C | 9313928 | |||
1926 | 24 | 0 | None | -20 | 3 | Mouse | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | 380 | 12 | 3 | 4 | 3.9 | CCCCC([C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O)(C)C | 9313928 | |||
5283066 | 24 | 0 | None | -20 | 3 | Mouse | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | 380 | 12 | 3 | 4 | 3.9 | CCCCC([C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O)(C)C | 9313928 | |||
CHEMBL1221529 | 24 | 0 | None | -20 | 3 | Mouse | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | 380 | 12 | 3 | 4 | 3.9 | CCCCC([C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O)(C)C | 9313928 | |||
1917 | 926 | 0 | None | -6 | 9 | Human | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | 374 | 6 | 3 | 4 | 2.2 | CCC#CC[C@@H]([C@@H](C#C[C@H]1[C@H](O)C[C@H]2[C@@H]1C/C(=C/COCC(=O)O)/C2)O)C | 10634944 | |||
5311044 | 926 | 0 | None | -6 | 9 | Human | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | 374 | 6 | 3 | 4 | 2.2 | CCC#CC[C@@H]([C@@H](C#C[C@H]1[C@H](O)C[C@H]2[C@@H]1C/C(=C/COCC(=O)O)/C2)O)C | 10634944 | |||
631 | 926 | 0 | None | -6 | 9 | Human | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | 374 | 6 | 3 | 4 | 2.2 | CCC#CC[C@@H]([C@@H](C#C[C@H]1[C@H](O)C[C@H]2[C@@H]1C/C(=C/COCC(=O)O)/C2)O)C | 10634944 | |||
CHEMBL160629 | 926 | 0 | None | -6 | 9 | Human | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | 374 | 6 | 3 | 4 | 2.2 | CCC#CC[C@@H]([C@@H](C#C[C@H]1[C@H](O)C[C@H]2[C@@H]1C/C(=C/COCC(=O)O)/C2)O)C | 10634944 | |||
1918 | 1565 | 0 | None | -3 | 6 | Human | 7.4 | pKi | None | 7.4 | 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 | 10952683 | |||
5311225 | 1565 | 0 | None | -3 | 6 | Human | 7.4 | pKi | None | 7.4 | 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 | 10952683 | |||
CHEMBL2104194 | 1565 | 0 | None | -3 | 6 | Human | 7.4 | pKi | None | 7.4 | 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 | 10952683 | |||
1947 | 28 | 0 | None | 5 | 3 | Rat | 7.5 | pKi | None | 7.5 | Binding | Guide to Pharmacology | 368 | 12 | 4 | 5 | 2.2 | O[C@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)CCC[C@H](O)C | 9537820 | |||
5283038 | 28 | 0 | None | 5 | 3 | Rat | 7.5 | pKi | None | 7.5 | Binding | Guide to Pharmacology | 368 | 12 | 4 | 5 | 2.2 | O[C@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)CCC[C@H](O)C | 9537820 | |||
1925 | 7 | 0 | None | -19 | 6 | Mouse | 7.6 | pKi | None | 7.6 | Binding | Guide to Pharmacology | 338 | 13 | 2 | 3 | 4.5 | CCCCC[C@@H](/C=C/[C@H]1CCC(=O)[C@@H]1CCCCCCC(=O)O)O | 9313928 | |||
5283055 | 7 | 0 | None | -19 | 6 | Mouse | 7.6 | pKi | None | 7.6 | Binding | Guide to Pharmacology | 338 | 13 | 2 | 3 | 4.5 | CCCCC[C@@H](/C=C/[C@H]1CCC(=O)[C@@H]1CCCCCCC(=O)O)O | 9313928 | |||
CHEMBL3246389 | 7 | 0 | None | -19 | 6 | Mouse | 7.6 | pKi | None | 7.6 | Binding | Guide to Pharmacology | 338 | 13 | 2 | 3 | 4.5 | CCCCC[C@@H](/C=C/[C@H]1CCC(=O)[C@@H]1CCCCCCC(=O)O)O | 9313928 | |||
1913 | 2462 | 0 | None | -177 | 15 | Rat | 7.6 | pKi | None | 7.6 | Binding | Guide to Pharmacology | 374 | 12 | 2 | 4 | 4.0 | OC(=O)CCCCCC[C@@H]1[C@@H](/C=C/[C@H](COc2ccccc2)O)CCC1=O | 9537820 | |||
5311223 | 2462 | 0 | None | -177 | 15 | Rat | 7.6 | pKi | None | 7.6 | Binding | Guide to Pharmacology | 374 | 12 | 2 | 4 | 4.0 | OC(=O)CCCCCC[C@@H]1[C@@H](/C=C/[C@H](COc2ccccc2)O)CCC1=O | 9537820 | |||
1935 | 2539 | 0 | None | -3 | 3 | Human | 7.6 | pKi | None | 7.6 | Binding | Guide to Pharmacology | 368 | 13 | 3 | 4 | 3.9 | CCCCC(C/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)(O)C | 10634944 | |||
6436406 | 2539 | 0 | None | -3 | 3 | Human | 7.6 | pKi | None | 7.6 | Binding | Guide to Pharmacology | 368 | 13 | 3 | 4 | 3.9 | CCCCC(C/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)(O)C | 10634944 | |||
CHEMBL1201377 | 2539 | 0 | None | -3 | 3 | Human | 7.6 | pKi | None | 7.6 | Binding | Guide to Pharmacology | 368 | 13 | 3 | 4 | 3.9 | CCCCC(C/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)(O)C | 10634944 | |||
1913 | 2462 | 0 | None | -398 | 15 | Human | 7.8 | pKi | None | 7.8 | Binding | Guide to Pharmacology | 374 | 12 | 2 | 4 | 4.0 | OC(=O)CCCCCC[C@@H]1[C@@H](/C=C/[C@H](COc2ccccc2)O)CCC1=O | 10462542 | |||
1913 | 2462 | 0 | None | -398 | 15 | Human | 7.8 | pKi | None | 7.8 | Binding | Guide to Pharmacology | 374 | 12 | 2 | 4 | 4.0 | OC(=O)CCCCCC[C@@H]1[C@@H](/C=C/[C@H](COc2ccccc2)O)CCC1=O | 10634944 | |||
5311223 | 2462 | 0 | None | -398 | 15 | Human | 7.8 | pKi | None | 7.8 | Binding | Guide to Pharmacology | 374 | 12 | 2 | 4 | 4.0 | OC(=O)CCCCCC[C@@H]1[C@@H](/C=C/[C@H](COc2ccccc2)O)CCC1=O | 10462542 | |||
5311223 | 2462 | 0 | None | -398 | 15 | Human | 7.8 | pKi | None | 7.8 | 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 | |||
161273 | 17 | 0 | None | - | 1 | Human | 8.5 | pKi | None | 8.5 | Binding | Guide to Pharmacology | 356 | 14 | 3 | 4 | 3.7 | CCCCC[C@@H](CC[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | 10952683 | |||
1946 | 17 | 0 | None | - | 1 | Human | 8.5 | pKi | None | 8.5 | Binding | Guide to Pharmacology | 356 | 14 | 3 | 4 | 3.7 | CCCCC[C@@H](CC[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | 10952683 | |||
CHEMBL1476810 | 17 | 0 | None | - | 1 | Human | 8.5 | pKi | None | 8.5 | Binding | Guide to Pharmacology | 356 | 14 | 3 | 4 | 3.7 | CCCCC[C@@H](CC[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | 10952683 | |||
138 | 3079 | 88 | None | -3 | 18 | Mouse | 8.7 | pKi | None | 8.7 | Binding | Guide to Pharmacology | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | 9313928 | |||
149351 | 3079 | 88 | None | -3 | 18 | Mouse | 8.7 | pKi | None | 8.7 | Binding | Guide to Pharmacology | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | 9313928 | |||
1882 | 3079 | 88 | None | -3 | 18 | Mouse | 8.7 | pKi | None | 8.7 | Binding | Guide to Pharmacology | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | 9313928 | |||
5280723 | 3079 | 88 | None | -3 | 18 | Mouse | 8.7 | pKi | None | 8.7 | Binding | Guide to Pharmacology | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | 9313928 | |||
CHEMBL495 | 3079 | 88 | None | -3 | 18 | Mouse | 8.7 | pKi | None | 8.7 | Binding | Guide to Pharmacology | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | 9313928 | |||
DB00770 | 3079 | 88 | None | -3 | 18 | Mouse | 8.7 | pKi | None | 8.7 | Binding | Guide to Pharmacology | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | 9313928 | |||
1925 | 7 | 0 | None | 1 | 6 | Human | 8.9 | pKi | None | 8.9 | Binding | Guide to Pharmacology | 338 | 13 | 2 | 3 | 4.5 | CCCCC[C@@H](/C=C/[C@H]1CCC(=O)[C@@H]1CCCCCCC(=O)O)O | 10952683 | |||
5283055 | 7 | 0 | None | 1 | 6 | Human | 8.9 | pKi | None | 8.9 | Binding | Guide to Pharmacology | 338 | 13 | 2 | 3 | 4.5 | CCCCC[C@@H](/C=C/[C@H]1CCC(=O)[C@@H]1CCCCCCC(=O)O)O | 10952683 | |||
CHEMBL3246389 | 7 | 0 | None | 1 | 6 | Human | 8.9 | pKi | None | 8.9 | Binding | Guide to Pharmacology | 338 | 13 | 2 | 3 | 4.5 | CCCCC[C@@H](/C=C/[C@H]1CCC(=O)[C@@H]1CCCCCCC(=O)O)O | 10952683 | |||
10111831 | 2945 | 0 | None | 2 | 3 | Mouse | 8.9 | pKi | None | 8.9 | Binding | Guide to Pharmacology | 404 | 7 | 2 | 3 | 5.0 | N#Cc1ccc(c(c1)NC(=O)C(c1ccc(c2c1cccc2)F)C)CCCC(=O)O | 11927615 | |||
1942 | 2945 | 0 | None | 2 | 3 | Mouse | 8.9 | pKi | None | 8.9 | Binding | Guide to Pharmacology | 404 | 7 | 2 | 3 | 5.0 | N#Cc1ccc(c(c1)NC(=O)C(c1ccc(c2c1cccc2)F)C)CCCC(=O)O | 11927615 | |||
1945 | 8 | 0 | None | - | 1 | Rat | 9.0 | pKi | None | 9 | Binding | Guide to Pharmacology | 336 | 12 | 2 | 3 | 4.3 | CCCCC[C@@H](/C=C/[C@H]1CCC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 9537820 | |||
5283062 | 8 | 0 | None | - | 1 | Rat | 9.0 | pKi | None | 9 | Binding | Guide to Pharmacology | 336 | 12 | 2 | 3 | 4.3 | CCCCC[C@@H](/C=C/[C@H]1CCC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 9537820 | |||
1883 | 3080 | 75 | None | 1 | 24 | Rat | 9.0 | pKi | None | 9 | Binding | Guide to Pharmacology | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 9537820 | |||
1916 | 3080 | 75 | None | 1 | 24 | Rat | 9.0 | pKi | None | 9 | Binding | Guide to Pharmacology | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 9537820 | |||
5280360 | 3080 | 75 | None | 1 | 24 | Rat | 9.0 | pKi | None | 9 | Binding | Guide to Pharmacology | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 9537820 | |||
913 | 3080 | 75 | None | 1 | 24 | Rat | 9.0 | pKi | None | 9 | Binding | Guide to Pharmacology | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 9537820 | |||
CHEMBL548 | 3080 | 75 | None | 1 | 24 | Rat | 9.0 | pKi | None | 9 | Binding | Guide to Pharmacology | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 9537820 | |||
DB00917 | 3080 | 75 | None | 1 | 24 | Rat | 9.0 | pKi | None | 9 | Binding | Guide to Pharmacology | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 9537820 | |||
138 | 3079 | 88 | None | -2 | 18 | Rat | 9.2 | pKi | None | 9.2 | Binding | Guide to Pharmacology | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | 9537820 | |||
149351 | 3079 | 88 | None | -2 | 18 | Rat | 9.2 | pKi | None | 9.2 | Binding | Guide to Pharmacology | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | 9537820 | |||
1882 | 3079 | 88 | None | -2 | 18 | Rat | 9.2 | pKi | None | 9.2 | Binding | Guide to Pharmacology | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | 9537820 | |||
5280723 | 3079 | 88 | None | -2 | 18 | Rat | 9.2 | pKi | None | 9.2 | Binding | Guide to Pharmacology | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | 9537820 | |||
CHEMBL495 | 3079 | 88 | None | -2 | 18 | Rat | 9.2 | pKi | None | 9.2 | Binding | Guide to Pharmacology | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | 9537820 | |||
DB00770 | 3079 | 88 | None | -2 | 18 | Rat | 9.2 | pKi | None | 9.2 | Binding | Guide to Pharmacology | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | 9537820 | |||
1930 | 3331 | 25 | None | 89 | 3 | Mouse | 9.2 | pKi | None | 9.2 | Binding | Guide to Pharmacology | 450 | 13 | 2 | 7 | 2.9 | COCc1cccc(c1)C[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCSCCCC(=O)OC)O | 11917107 | |||
9803828 | 3331 | 25 | None | 89 | 3 | Mouse | 9.2 | pKi | None | 9.2 | Binding | Guide to Pharmacology | 450 | 13 | 2 | 7 | 2.9 | COCc1cccc(c1)C[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCSCCCC(=O)OC)O | 11917107 | |||
CHEMBL303960 | 3331 | 25 | None | 89 | 3 | Mouse | 9.2 | pKi | None | 9.2 | Binding | Guide to Pharmacology | 450 | 13 | 2 | 7 | 2.9 | COCc1cccc(c1)C[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCSCCCC(=O)OC)O | 11917107 | |||
DB16315 | 3331 | 25 | None | 89 | 3 | Mouse | 9.2 | pKi | None | 9.2 | Binding | Guide to Pharmacology | 450 | 13 | 2 | 7 | 2.9 | COCc1cccc(c1)C[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCSCCCC(=O)OC)O | 11917107 |