Ligand source activities (1 row/activity)
Ligands (move mouse cursor over ligand name to see structure) | Receptor | Assay information | Chemical information | ||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Sel. page | Common name |
GPCRdb ID |
#Vendors |
Reference ligand |
Fold selectivity |
# Tested GPCRs |
Species |
p-value (-log) |
Activity Type |
Activity Relation |
Activity Value |
AssayType |
Assay Description |
Source |
Mol weight |
Rot Bonds |
H don |
H acc |
LogP |
Smiles |
DOI |
2924 | 8421 | 43 | None | -10 | 7 | Human | 10.0 | pEC50 | = | 10 | Functional | ChEMBL | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N | 10.1016/j.bmc.2006.10.060 | ||
44398069 | 8421 | 43 | None | -10 | 7 | Human | 10.0 | pEC50 | = | 10 | Functional | ChEMBL | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N | 10.1016/j.bmc.2006.10.060 | ||
9908268 | 8421 | 43 | None | -10 | 7 | Human | 10.0 | pEC50 | = | 10 | Functional | ChEMBL | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N | 10.1016/j.bmc.2006.10.060 | ||
CHEMBL114606 | 8421 | 43 | None | -10 | 7 | Human | 10.0 | pEC50 | = | 10 | Functional | ChEMBL | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N | 10.1016/j.bmc.2006.10.060 | ||
11452022 | 10368 | 39 | None | -19 | 6 | Human | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CC[C@@](COP(=O)(O)O)(CO)N | 10.1016/j.bmcl.2010.02.006 | ||
6996 | 10368 | 39 | None | -19 | 6 | Human | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CC[C@@](COP(=O)(O)O)(CO)N | 10.1016/j.bmcl.2010.02.006 | ||
CHEMBL366208 | 10368 | 39 | None | -19 | 6 | Human | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CC[C@@](COP(=O)(O)O)(CO)N | 10.1016/j.bmcl.2010.02.006 | ||
25192005 | 14508 | 0 | None | -3 | 2 | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | 397 | 11 | 3 | 3 | 4.5 | CCCCCCCCc1ccc2c(c1)CC[C@@H]([C@@](C)(N)COP(=O)(O)O)C2 | 10.1016/j.bmcl.2010.02.006 | ||
CHEMBL1089004 | 14508 | 0 | None | -3 | 2 | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | 397 | 11 | 3 | 3 | 4.5 | CCCCCCCCc1ccc2c(c1)CC[C@@H]([C@@](C)(N)COP(=O)(O)O)C2 | 10.1016/j.bmcl.2010.02.006 | ||
44406004 | 79490 | 10 | None | 5 | 4 | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | 337 | 14 | 4 | 4 | 2.9 | CCCCCCCCCC/C=C/[C@@H](O)[C@@H](N)COP(=O)(O)O | 10.1016/j.bmcl.2005.09.038 | ||
CHEMBL199791 | 79490 | 10 | None | 5 | 4 | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | 337 | 14 | 4 | 4 | 2.9 | CCCCCCCCCC/C=C/[C@@H](O)[C@@H](N)COP(=O)(O)O | 10.1016/j.bmcl.2005.09.038 | ||
25192001 | 14831 | 0 | None | -2 | 4 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 413 | 12 | 4 | 4 | 3.5 | CCCCCCCCc1ccc2c(c1)CC[C@@H](C(N)(CO)COP(=O)(O)O)C2 | 10.1016/j.bmcl.2010.02.006 | ||
CHEMBL1091103 | 14831 | 0 | None | -2 | 4 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 413 | 12 | 4 | 4 | 3.5 | CCCCCCCCc1ccc2c(c1)CC[C@@H](C(N)(CO)COP(=O)(O)O)C2 | 10.1016/j.bmcl.2010.02.006 | ||
46884020 | 15212 | 0 | None | -30 | 4 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 397 | 11 | 3 | 3 | 4.5 | CCCCCCCCc1ccc2c(c1)CC[C@H]([C@@](C)(N)COP(=O)(O)O)C2 | 10.1016/j.bmcl.2010.02.006 | ||
CHEMBL1093686 | 15212 | 0 | None | -30 | 4 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 397 | 11 | 3 | 3 | 4.5 | CCCCCCCCc1ccc2c(c1)CC[C@H]([C@@](C)(N)COP(=O)(O)O)C2 | 10.1016/j.bmcl.2010.02.006 | ||
10883396 | 10421 | 45 | None | 1 | 15 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 10.1016/j.bmcl.2010.02.006 | ||
5283560 | 10421 | 45 | None | 1 | 15 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 10.1016/j.bmcl.2010.02.006 | ||
911 | 10421 | 45 | None | 1 | 15 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 10.1016/j.bmcl.2010.02.006 | ||
CHEMBL225155 | 10421 | 45 | None | 1 | 15 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 10.1016/j.bmcl.2010.02.006 | ||
10883396 | 10421 | 45 | None | 1 | 15 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 10.1021/jm100181s | ||
5283560 | 10421 | 45 | None | 1 | 15 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 10.1021/jm100181s | ||
911 | 10421 | 45 | None | 1 | 15 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 10.1021/jm100181s | ||
CHEMBL225155 | 10421 | 45 | None | 1 | 15 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 10.1021/jm100181s | ||
76332615 | 112331 | 0 | None | 5 | 2 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 555 | 12 | 3 | 8 | 5.0 | CCc1cc(-c2noc(-c3sc(CC)c4c3CCC(CC)(CC)C4)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1021/jm401456d | ||
CHEMBL3121986 | 112331 | 0 | None | 5 | 2 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 555 | 12 | 3 | 8 | 5.0 | CCc1cc(-c2noc(-c3sc(CC)c4c3CCC(CC)(CC)C4)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1021/jm401456d | ||
44565714 | 186076 | 0 | None | -6 | 4 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 484 | 11 | 4 | 5 | 4.1 | C[C@](N)(COP(=O)(O)O)C(=O)Nc1ccc(OCCCc2ccc(-c3ccccc3)cc2)cc1 | 10.1016/j.bmcl.2009.02.073 | ||
CHEMBL473238 | 186076 | 0 | None | -6 | 4 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 484 | 11 | 4 | 5 | 4.1 | C[C@](N)(COP(=O)(O)O)C(=O)Nc1ccc(OCCCc2ccc(-c3ccccc3)cc2)cc1 | 10.1016/j.bmcl.2009.02.073 | ||
2924 | 8421 | 43 | None | -10 | 7 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N | 10.1021/jm050242f | ||
44398069 | 8421 | 43 | None | -10 | 7 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N | 10.1021/jm050242f | ||
9908268 | 8421 | 43 | None | -10 | 7 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N | 10.1021/jm050242f | ||
CHEMBL114606 | 8421 | 43 | None | -10 | 7 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N | 10.1021/jm050242f | ||
44218130 | 146668 | 0 | None | -1 | 2 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 552 | 14 | 3 | 8 | 4.3 | CCc1cc(-c2noc(-c3cc(CN(C)CC(C)C)cc(C(C)C)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1016/j.ejmech.2016.03.048 | ||
CHEMBL3799355 | 146668 | 0 | None | -1 | 2 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 552 | 14 | 3 | 8 | 4.3 | CCc1cc(-c2noc(-c3cc(CN(C)CC(C)C)cc(C(C)C)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1016/j.ejmech.2016.03.048 | ||
10883396 | 10421 | 45 | None | 1 | 15 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 10.1016/j.bmcl.2006.10.014 | ||
5283560 | 10421 | 45 | None | 1 | 15 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 10.1016/j.bmcl.2006.10.014 | ||
911 | 10421 | 45 | None | 1 | 15 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 10.1016/j.bmcl.2006.10.014 | ||
CHEMBL225155 | 10421 | 45 | None | 1 | 15 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 10.1016/j.bmcl.2006.10.014 | ||
11222939 | 74349 | 9 | None | -4 | 4 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(CC[C@@](N)(CO)COP(=O)(O)O)cc1 | 10.1016/j.bmcl.2006.10.014 | ||
44438254 | 74349 | 9 | None | -4 | 4 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(CC[C@@](N)(CO)COP(=O)(O)O)cc1 | 10.1016/j.bmcl.2006.10.014 | ||
CHEMBL190006 | 74349 | 9 | None | -4 | 4 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(CC[C@@](N)(CO)COP(=O)(O)O)cc1 | 10.1016/j.bmcl.2006.10.014 | ||
44591250 | 196533 | 0 | None | -19 | 4 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 420 | 13 | 4 | 5 | 3.3 | CCCCCCCCOc1ccc(NC(=O)[C@@](C)(N)COP(=O)(O)O)cc1F | 10.1016/j.bmcl.2008.11.072 | ||
CHEMBL515921 | 196533 | 0 | None | -19 | 4 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 420 | 13 | 4 | 5 | 3.3 | CCCCCCCCOc1ccc(NC(=O)[C@@](C)(N)COP(=O)(O)O)cc1F | 10.1016/j.bmcl.2008.11.072 | ||
44591266 | 186079 | 0 | None | -19 | 4 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 443 | 13 | 4 | 5 | 4.2 | CCCCCCCCOc1ccc(-c2c[nH]c([C@@](C)(N)COP(=O)(O)O)n2)cc1F | 10.1016/j.bmcl.2008.11.072 | ||
CHEMBL473269 | 186079 | 0 | None | -19 | 4 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 443 | 13 | 4 | 5 | 4.2 | CCCCCCCCOc1ccc(-c2c[nH]c([C@@](C)(N)COP(=O)(O)O)n2)cc1F | 10.1016/j.bmcl.2008.11.072 | ||
44422606 | 92348 | 0 | None | -2 | 5 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 329 | 11 | 3 | 3 | 3.1 | CCCCCCc1ccc(OC[C@H](N)CCP(=O)(O)O)cc1 | 10.1016/j.bmc.2006.10.060 | ||
CHEMBL228049 | 92348 | 0 | None | -2 | 5 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 329 | 11 | 3 | 3 | 3.1 | CCCCCCc1ccc(OC[C@H](N)CCP(=O)(O)O)cc1 | 10.1016/j.bmc.2006.10.060 | ||
44219525 | 146720 | 0 | None | -47 | 2 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 524 | 13 | 3 | 8 | 3.5 | CCc1cc(-c2noc(-c3cc(C)cc(CN(C)CC(C)C)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1016/j.ejmech.2016.03.048 | ||
CHEMBL3799686 | 146720 | 0 | None | -47 | 2 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 524 | 13 | 3 | 8 | 3.5 | CCc1cc(-c2noc(-c3cc(C)cc(CN(C)CC(C)C)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1016/j.ejmech.2016.03.048 | ||
44218450 | 146727 | 0 | None | -100 | 2 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 510 | 13 | 3 | 8 | 3.1 | CCc1cc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)ccc1CN(C)CC | 10.1016/j.ejmech.2016.03.048 | ||
CHEMBL3799718 | 146727 | 0 | None | -100 | 2 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 510 | 13 | 3 | 8 | 3.1 | CCc1cc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)ccc1CN(C)CC | 10.1016/j.ejmech.2016.03.048 | ||
76325739 | 112846 | 0 | None | -11 | 2 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 462 | 11 | 4 | 7 | 3.4 | CCc1nc(-c2ccc(Oc3ccc(CCC(N)(CO)COP(=O)(O)O)cc3)cc2)co1 | 10.1039/C3MD00079F | ||
CHEMBL3133595 | 112846 | 0 | None | -11 | 2 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 462 | 11 | 4 | 7 | 3.4 | CCc1nc(-c2ccc(Oc3ccc(CCC(N)(CO)COP(=O)(O)O)cc3)cc2)co1 | 10.1039/C3MD00079F | ||
76336567 | 112854 | 0 | None | -1 | 2 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 432 | 9 | 4 | 6 | 3.0 | Cc1nc(-c2ccc(-c3ccc(CCC(N)(CO)COP(=O)(O)O)cc3)cc2)co1 | 10.1039/C3MD00079F | ||
CHEMBL3133602 | 112854 | 0 | None | -1 | 2 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 432 | 9 | 4 | 6 | 3.0 | Cc1nc(-c2ccc(-c3ccc(CCC(N)(CO)COP(=O)(O)O)cc3)cc2)co1 | 10.1039/C3MD00079F | ||
76311231 | 112855 | 0 | None | -7 | 2 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 460 | 11 | 4 | 6 | 3.7 | CCCc1nc(-c2ccc(-c3ccc(CCC(N)(CO)COP(=O)(O)O)cc3)cc2)co1 | 10.1039/C3MD00079F | ||
CHEMBL3133603 | 112855 | 0 | None | -7 | 2 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 460 | 11 | 4 | 6 | 3.7 | CCCc1nc(-c2ccc(-c3ccc(CCC(N)(CO)COP(=O)(O)O)cc3)cc2)co1 | 10.1039/C3MD00079F | ||
CHEMBL3780292 | 112855 | 0 | None | -7 | 2 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 460 | 11 | 4 | 6 | 3.7 | CCCc1nc(-c2ccc(-c3ccc(CCC(N)(CO)COP(=O)(O)O)cc3)cc2)co1 | 10.1039/C3MD00079F | ||
76332957 | 112862 | 0 | None | -1 | 2 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 409 | 12 | 4 | 4 | 3.7 | CCCCCCc1ccc2c(CCC(N)(CO)COP(=O)(O)O)cccc2c1 | 10.1039/C3MD00079F | ||
CHEMBL3133610 | 112862 | 0 | None | -1 | 2 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 409 | 12 | 4 | 4 | 3.7 | CCCCCCc1ccc2c(CCC(N)(CO)COP(=O)(O)O)cccc2c1 | 10.1039/C3MD00079F | ||
45377937 | 90894 | 0 | None | -112 | 2 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 496 | 9 | 1 | 6 | 5.1 | CCCCN(C(=O)c1ccccc1F)c1nnc(-c2ccc(CN3CCC(C(=O)O)CC3)cc2)s1 | 10.1016/j.bmcl.2012.09.110 | ||
CHEMBL2207780 | 90894 | 0 | None | -112 | 2 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 496 | 9 | 1 | 6 | 5.1 | CCCCN(C(=O)c1ccccc1F)c1nnc(-c2ccc(CN3CCC(C(=O)O)CC3)cc2)s1 | 10.1016/j.bmcl.2012.09.110 | ||
66655587 | 174415 | 0 | None | -5 | 3 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 435 | 6 | 1 | 4 | 4.8 | O=C(O)CCN1CCC2(CC1)COc1cc(OCc3cc(Cl)ccc3Cl)ccc12 | 10.1016/j.bmcl.2017.12.018 | ||
CHEMBL4205714 | 174415 | 0 | None | -5 | 3 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 435 | 6 | 1 | 4 | 4.8 | O=C(O)CCN1CCC2(CC1)COc1cc(OCc3cc(Cl)ccc3Cl)ccc12 | 10.1016/j.bmcl.2017.12.018 | ||
CHEMBL4301563 | 174415 | 0 | None | -5 | 3 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 435 | 6 | 1 | 4 | 4.8 | O=C(O)CCN1CCC2(CC1)COc1cc(OCc3cc(Cl)ccc3Cl)ccc12 | 10.1016/j.bmcl.2017.12.018 | ||
46846906 | 146819 | 0 | None | -2290 | 2 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 444 | 8 | 1 | 7 | 4.5 | CCCc1c(-c2ccccc2)noc1-c1nc(-c2ccc(CN3CC(C(=O)O)C3)cc2)no1 | 10.1021/acs.jmedchem.6b00089 | ||
CHEMBL3800257 | 146819 | 0 | None | -2290 | 2 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 444 | 8 | 1 | 7 | 4.5 | CCCc1c(-c2ccccc2)noc1-c1nc(-c2ccc(CN3CC(C(=O)O)C3)cc2)no1 | 10.1021/acs.jmedchem.6b00089 | ||
70692256 | 81749 | 0 | None | -3162 | 2 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 468 | 8 | 1 | 4 | 6.1 | CN(CCCc1ccc2oc(-c3ccc(-c4ccccc4)c(C(F)(F)F)c3)nc2c1)CC(=O)O | 10.1016/j.bmcl.2012.04.095 | ||
CHEMBL2032429 | 81749 | 0 | None | -3162 | 2 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 468 | 8 | 1 | 4 | 6.1 | CN(CCCc1ccc2oc(-c3ccc(-c4ccccc4)c(C(F)(F)F)c3)nc2c1)CC(=O)O | 10.1016/j.bmcl.2012.04.095 | ||
70694327 | 81754 | 0 | None | -12589 | 2 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 494 | 6 | 1 | 4 | 6.8 | O=C(O)CCN1CCC(c2ccc3oc(-c4ccc(-c5ccccc5)c(C(F)(F)F)c4)nc3c2)CC1 | 10.1016/j.bmcl.2012.04.095 | ||
CHEMBL2032434 | 81754 | 0 | None | -12589 | 2 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 494 | 6 | 1 | 4 | 6.8 | O=C(O)CCN1CCC(c2ccc3oc(-c4ccc(-c5ccccc5)c(C(F)(F)F)c4)nc3c2)CC1 | 10.1016/j.bmcl.2012.04.095 | ||
11853835 | 111489 | 0 | None | -501 | 2 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 511 | 10 | 2 | 6 | 4.5 | Cc1cc(CCC(=O)c2sc(C)c3c2C[C@@H]2[C@H]3C2(C)C)cc(C)c1OCC(O)CN1CC(C(=O)O)C1 | 10.1021/jm4014373 | ||
CHEMBL3105482 | 111489 | 0 | None | -501 | 2 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 511 | 10 | 2 | 6 | 4.5 | Cc1cc(CCC(=O)c2sc(C)c3c2C[C@@H]2[C@H]3C2(C)C)cc(C)c1OCC(O)CN1CC(C(=O)O)C1 | 10.1021/jm4014373 | ||
46237828 | 15718 | 0 | None | -5 | 2 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 369 | 4 | 1 | 6 | 3.4 | COc1cc(/C=C2\S/C(=N\N(C)C)N(c3ccccc3)C2=O)ccc1O | 10.1021/jm100181s | ||
CHEMBL1098013 | 15718 | 0 | None | -5 | 2 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 369 | 4 | 1 | 6 | 3.4 | COc1cc(/C=C2\S/C(=N\N(C)C)N(c3ccccc3)C2=O)ccc1O | 10.1021/jm100181s | ||
57398845 | 77694 | 0 | None | -1548 | 2 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 489 | 9 | 1 | 7 | 5.9 | CCc1ccccc1Oc1ccc(-c2nc(-c3sc(CN4CC(C(=O)O)C4)cc3CC)no2)cc1 | 10.1016/j.bmcl.2011.12.019 | ||
CHEMBL1951313 | 77694 | 0 | None | -1548 | 2 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 489 | 9 | 1 | 7 | 5.9 | CCc1ccccc1Oc1ccc(-c2nc(-c3sc(CN4CC(C(=O)O)C4)cc3CC)no2)cc1 | 10.1016/j.bmcl.2011.12.019 | ||
42636433 | 123170 | 0 | None | -1258 | 2 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 455 | 7 | 1 | 6 | 4.7 | CC(C)Oc1ccc(-c2nc(-c3ccc4c(c3)CCN(CCC(=O)O)CC4)no2)cc1Cl | 10.1021/jm5010336 | ||
CHEMBL3359846 | 123170 | 0 | None | -1258 | 2 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 455 | 7 | 1 | 6 | 4.7 | CC(C)Oc1ccc(-c2nc(-c3ccc4c(c3)CCN(CCC(=O)O)CC4)no2)cc1Cl | 10.1021/jm5010336 | ||
44125704 | 123178 | 0 | None | -316 | 2 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 472 | 8 | 2 | 8 | 4.5 | CC(C)Oc1ncc(-c2nc(-c3cccc4c3OCCNC4CCCC(=O)O)no2)cc1Cl | 10.1021/jm5010336 | ||
CHEMBL3359854 | 123178 | 0 | None | -316 | 2 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 472 | 8 | 2 | 8 | 4.5 | CC(C)Oc1ncc(-c2nc(-c3cccc4c3OCCNC4CCCC(=O)O)no2)cc1Cl | 10.1021/jm5010336 | ||
25182769 | 13037 | 0 | None | -4073 | 3 | Human | 4.0 | pEC50 | = | 4 | Functional | ChEMBL | 380 | 6 | 2 | 5 | 4.3 | Cc1cc(O)ccc1NC(=O)c1cc(N(CC2CC2)C2CCCCC2)ncn1 | nan | ||
CHEMBL1081645 | 13037 | 0 | None | -4073 | 3 | Human | 4.0 | pEC50 | = | 4 | Functional | ChEMBL | 380 | 6 | 2 | 5 | 4.3 | Cc1cc(O)ccc1NC(=O)c1cc(N(CC2CC2)C2CCCCC2)ncn1 | nan | ||
53319457 | 64164 | 0 | None | -69 | 2 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 433 | 6 | 1 | 5 | 4.6 | O=C(O)C1CN(Cc2ccc(-c3nc4nc(Cc5ccccc5)ccc4s3)c(F)c2)C1 | 10.1021/ml100306h | ||
CHEMBL1651851 | 64164 | 0 | None | -69 | 2 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 433 | 6 | 1 | 5 | 4.6 | O=C(O)C1CN(Cc2ccc(-c3nc4nc(Cc5ccccc5)ccc4s3)c(F)c2)C1 | 10.1021/ml100306h | ||
118716139 | 121650 | 0 | None | -79 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 432 | 9 | 4 | 6 | 3.0 | Cc1ccc(-c2nc(-c3ccc(CCC(N)(CO)COP(=O)(O)O)cc3)co2)cc1 | 10.1016/j.ejmech.2014.07.081 | ||
CHEMBL3341917 | 121650 | 0 | None | -79 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 432 | 9 | 4 | 6 | 3.0 | Cc1ccc(-c2nc(-c3ccc(CCC(N)(CO)COP(=O)(O)O)cc3)co2)cc1 | 10.1016/j.ejmech.2014.07.081 | ||
46236933 | 15826 | 0 | None | 7 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 338 | 3 | 1 | 4 | 4.3 | CC(C)/N=C1\S/C(=C\c2cccc(O)c2)C(=O)N1c1ccccc1 | 10.1021/jm100181s | ||
CHEMBL1098771 | 15826 | 0 | None | 7 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 338 | 3 | 1 | 4 | 4.3 | CC(C)/N=C1\S/C(=C\c2cccc(O)c2)C(=O)N1c1ccccc1 | 10.1021/jm100181s | ||
16736755 | 64133 | 0 | None | -64 | 2 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 413 | 8 | 1 | 4 | 5.4 | CCCCOc1ccc2oc(-c3ccc(CN4CC(C(=O)O)C4)cc3Cl)cc2c1 | 10.1021/ml100227q | ||
CHEMBL1651714 | 64133 | 0 | None | -64 | 2 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 413 | 8 | 1 | 4 | 5.4 | CCCCOc1ccc2oc(-c3ccc(CN4CC(C(=O)O)C4)cc3Cl)cc2c1 | 10.1021/ml100227q | ||
11853576 | 111497 | 0 | None | -204 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 441 | 10 | 2 | 5 | 4.7 | Cc1cc(CCC(=O)c2sc(C)c3c2C[C@@H]2[C@H]3C2(C)C)cc(C)c1OCCNCCO | 10.1021/jm4014373 | ||
CHEMBL3105490 | 111497 | 0 | None | -204 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 441 | 10 | 2 | 5 | 4.7 | Cc1cc(CCC(=O)c2sc(C)c3c2C[C@@H]2[C@H]3C2(C)C)cc(C)c1OCCNCCO | 10.1021/jm4014373 | ||
11224984 | 15489 | 23 | None | -44 | 4 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 460 | 8 | 2 | 6 | 4.3 | CCC/N=C1\S/C(=C\c2ccc(OC[C@@H](O)CO)c(Cl)c2)C(=O)N1c1ccccc1C | 10.1021/jm100181s | ||
CHEMBL1095833 | 15489 | 23 | None | -44 | 4 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 460 | 8 | 2 | 6 | 4.3 | CCC/N=C1\S/C(=C\c2ccc(OC[C@@H](O)CO)c(Cl)c2)C(=O)N1c1ccccc1C | 10.1021/jm100181s | ||
46236811 | 15747 | 0 | None | 1 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 352 | 4 | 0 | 4 | 4.6 | COc1ccc(/C=C2\S/C(=N\C(C)C)N(c3ccccc3)C2=O)cc1 | 10.1021/jm100181s | ||
CHEMBL1098201 | 15747 | 0 | None | 1 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 352 | 4 | 0 | 4 | 4.6 | COc1ccc(/C=C2\S/C(=N\C(C)C)N(c3ccccc3)C2=O)cc1 | 10.1021/jm100181s | ||
76325533 | 112545 | 0 | None | -537 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 494 | 10 | 3 | 8 | 3.5 | CCc1cc(-c2noc(-c3cc(C)c(C4CCCC4)cn3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1021/jm4014696 | ||
CHEMBL3126613 | 112545 | 0 | None | -537 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 494 | 10 | 3 | 8 | 3.5 | CCc1cc(-c2noc(-c3cc(C)c(C4CCCC4)cn3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1021/jm4014696 | ||
72793789 | 111173 | 0 | None | -380 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 495 | 10 | 1 | 5 | 5.6 | Cc1cc(CCC(=O)c2sc(C)c3c2C[C@@H]2[C@H]3C2(C)C)cc(C)c1OCCCN1CC(C(=O)O)C1 | 10.1021/jm4014373 | ||
CHEMBL3102986 | 111173 | 0 | None | -380 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 495 | 10 | 1 | 5 | 5.6 | Cc1cc(CCC(=O)c2sc(C)c3c2C[C@@H]2[C@H]3C2(C)C)cc(C)c1OCCCN1CC(C(=O)O)C1 | 10.1021/jm4014373 | ||
11363176 | 9923 | 47 | None | -12 | 4 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 460 | 8 | 2 | 6 | 4.3 | CCCN=C1S/C(=C\c2ccc(c(c2)Cl)OC[C@@H](CO)O)/C(=O)N1c1ccccc1C | 10.1021/jm100181s | ||
5446 | 9923 | 47 | None | -12 | 4 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 460 | 8 | 2 | 6 | 4.3 | CCCN=C1S/C(=C\c2ccc(c(c2)Cl)OC[C@@H](CO)O)/C(=O)N1c1ccccc1C | 10.1021/jm100181s | ||
9320 | 9923 | 47 | None | -12 | 4 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 460 | 8 | 2 | 6 | 4.3 | CCCN=C1S/C(=C\c2ccc(c(c2)Cl)OC[C@@H](CO)O)/C(=O)N1c1ccccc1C | 10.1021/jm100181s | ||
CHEMBL1096146 | 9923 | 47 | None | -12 | 4 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 460 | 8 | 2 | 6 | 4.3 | CCCN=C1S/C(=C\c2ccc(c(c2)Cl)OC[C@@H](CO)O)/C(=O)N1c1ccccc1C | 10.1021/jm100181s | ||
25182926 | 14713 | 0 | None | -173 | 3 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 451 | 11 | 3 | 6 | 3.8 | O=C(O)CCNCc1ccc(NC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)cc1 | 10.1016/j.bmcl.2010.01.102 | ||
CHEMBL1090423 | 14713 | 0 | None | -173 | 3 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 451 | 11 | 3 | 6 | 3.8 | O=C(O)CCNCc1ccc(NC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)cc1 | 10.1016/j.bmcl.2010.01.102 | ||
11852144 | 112352 | 0 | None | -323 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 430 | 8 | 2 | 5 | 4.7 | Cc1cc(CCC(=O)c2sc(C)c3c2CCC(C)(C)C3)cc(C)c1OC[C@H](O)CO | 10.1021/jm401456d | ||
CHEMBL3122006 | 112352 | 0 | None | -323 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 430 | 8 | 2 | 5 | 4.7 | Cc1cc(CCC(=O)c2sc(C)c3c2CCC(C)(C)C3)cc(C)c1OC[C@H](O)CO | 10.1021/jm401456d | ||
76318056 | 112319 | 0 | None | 1 | 2 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 541 | 11 | 3 | 8 | 4.7 | CCCc1sc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)c2c1CC(C)(C)CC2 | 10.1021/jm401456d | ||
CHEMBL3121974 | 112319 | 0 | None | 1 | 2 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 541 | 11 | 3 | 8 | 4.7 | CCCc1sc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)c2c1CC(C)(C)CC2 | 10.1021/jm401456d | ||
76321772 | 112333 | 0 | None | -2 | 2 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 553 | 10 | 3 | 8 | 4.8 | CCc1cc(-c2noc(-c3sc(CC)c4c3CCC3(CCCC3)C4)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1021/jm401456d | ||
CHEMBL3121988 | 112333 | 0 | None | -2 | 2 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 553 | 10 | 3 | 8 | 4.8 | CCc1cc(-c2noc(-c3sc(CC)c4c3CCC3(CCCC3)C4)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1021/jm401456d | ||
11689680 | 86415 | 0 | None | -3890 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 391 | 7 | 1 | 6 | 4.4 | Cc1cc(CCC(=O)O)ccc1-c1noc(-c2ccc(OC(C)C)c(C#N)c2)n1 | 10.1016/j.bmcl.2006.04.064 | ||
CHEMBL211505 | 86415 | 0 | None | -3890 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 391 | 7 | 1 | 6 | 4.4 | Cc1cc(CCC(=O)O)ccc1-c1noc(-c2ccc(OC(C)C)c(C#N)c2)n1 | 10.1016/j.bmcl.2006.04.064 | ||
24825338 | 84485 | 0 | None | -1288 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 434 | 7 | 1 | 5 | 5.5 | Cc1cc(CCC(=O)O)ccc1-c1noc(-c2ccc(OC(C)C)c(C(F)(F)F)c2)n1 | 10.1016/j.bmcl.2006.04.084 | ||
CHEMBL208924 | 84485 | 0 | None | -1288 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 434 | 7 | 1 | 5 | 5.5 | Cc1cc(CCC(=O)O)ccc1-c1noc(-c2ccc(OC(C)C)c(C(F)(F)F)c2)n1 | 10.1016/j.bmcl.2006.04.084 | ||
72793828 | 111470 | 0 | None | -109 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 439 | 6 | 2 | 6 | 5.0 | Cc1cc(-c2cnc(-c3sc(C)c4c3C[C@@H]3[C@H]4C3(C)C)o2)cc(C)c1OCC(O)CO | 10.1021/jm4014373 | ||
CHEMBL3105250 | 111470 | 0 | None | -109 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 439 | 6 | 2 | 6 | 5.0 | Cc1cc(-c2cnc(-c3sc(C)c4c3C[C@@H]3[C@H]4C3(C)C)o2)cc(C)c1OCC(O)CO | 10.1021/jm4014373 | ||
127046185 | 146795 | 0 | None | -363 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 496 | 11 | 3 | 9 | 2.8 | CCc1cc(-c2noc(-c3cc(C)nc(OC4CCC4)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1016/j.ejmech.2016.03.020 | ||
CHEMBL3800120 | 146795 | 0 | None | -363 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 496 | 11 | 3 | 9 | 2.8 | CCc1cc(-c2noc(-c3cc(C)nc(OC4CCC4)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1016/j.ejmech.2016.03.020 | ||
24825338 | 84485 | 0 | None | -1288 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 434 | 7 | 1 | 5 | 5.5 | Cc1cc(CCC(=O)O)ccc1-c1noc(-c2ccc(OC(C)C)c(C(F)(F)F)c2)n1 | 10.1016/j.bmcl.2006.10.057 | ||
CHEMBL208924 | 84485 | 0 | None | -1288 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 434 | 7 | 1 | 5 | 5.5 | Cc1cc(CCC(=O)O)ccc1-c1noc(-c2ccc(OC(C)C)c(C(F)(F)F)c2)n1 | 10.1016/j.bmcl.2006.10.057 | ||
1160618 | 37580 | 1 | None | 2 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 389 | 6 | 0 | 6 | 4.9 | O=C(CSc1nnc(-c2ccco2)o1)N(C1CCCCC1)C1CCCCC1 | nan | ||
CHEMBL1396471 | 37580 | 1 | None | 2 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 389 | 6 | 0 | 6 | 4.9 | O=C(CSc1nnc(-c2ccco2)o1)N(C1CCCCC1)C1CCCCC1 | nan | ||
44412883 | 84072 | 0 | None | -77 | 3 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 404 | 7 | 1 | 4 | 6.2 | Cc1cc(CCCC(=O)O)ccc1-c1noc(-c2ccc(C3CCCCC3)cc2)n1 | 10.1016/j.bmcl.2006.04.084 | ||
CHEMBL208224 | 84072 | 0 | None | -77 | 3 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 404 | 7 | 1 | 4 | 6.2 | Cc1cc(CCCC(=O)O)ccc1-c1noc(-c2ccc(C3CCCCC3)cc2)n1 | 10.1016/j.bmcl.2006.04.084 | ||
11689680 | 86415 | 0 | None | -3890 | 3 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 391 | 7 | 1 | 6 | 4.4 | Cc1cc(CCC(=O)O)ccc1-c1noc(-c2ccc(OC(C)C)c(C#N)c2)n1 | 10.1016/j.bmcl.2006.04.084 | ||
CHEMBL211505 | 86415 | 0 | None | -3890 | 3 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 391 | 7 | 1 | 6 | 4.4 | Cc1cc(CCC(=O)O)ccc1-c1noc(-c2ccc(OC(C)C)c(C#N)c2)n1 | 10.1016/j.bmcl.2006.04.084 | ||
70686051 | 82048 | 0 | None | 1 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 466 | 4 | 2 | 4 | 5.2 | Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(C(F)(F)F)c2)c(=O)c2cccc(C(=O)O)c21 | 10.1021/ml200252b | ||
CHEMBL2037123 | 82048 | 0 | None | 1 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 466 | 4 | 2 | 4 | 5.2 | Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(C(F)(F)F)c2)c(=O)c2cccc(C(=O)O)c21 | 10.1021/ml200252b | ||
44625752 | 94368 | 0 | None | -2754 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 554 | 10 | 2 | 4 | 7.0 | C/C(=N\OCc1ccc(C2CCCCC2)c(C(F)(F)F)c1)c1ccc(CNCCC(=O)O)c(Br)c1 | 10.1021/ml300396r | ||
CHEMBL2336066 | 94368 | 0 | None | -2754 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 554 | 10 | 2 | 4 | 7.0 | C/C(=N\OCc1ccc(C2CCCCC2)c(C(F)(F)F)c1)c1ccc(CNCCC(=O)O)c(Br)c1 | 10.1021/ml300396r | ||
11689680 | 86415 | 0 | None | -3890 | 3 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 391 | 7 | 1 | 6 | 4.4 | Cc1cc(CCC(=O)O)ccc1-c1noc(-c2ccc(OC(C)C)c(C#N)c2)n1 | 10.1016/j.bmcl.2006.10.057 | ||
CHEMBL211505 | 86415 | 0 | None | -3890 | 3 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 391 | 7 | 1 | 6 | 4.4 | Cc1cc(CCC(=O)O)ccc1-c1noc(-c2ccc(OC(C)C)c(C#N)c2)n1 | 10.1016/j.bmcl.2006.10.057 | ||
57393585 | 77696 | 0 | None | -2454 | 2 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 503 | 9 | 1 | 7 | 6.5 | CCc1cc(CN2CC(C(=O)O)C2)sc1-c1noc(-c2ccc(Oc3ccccc3C(C)C)cc2)n1 | 10.1016/j.bmcl.2011.12.019 | ||
CHEMBL1951315 | 77696 | 0 | None | -2454 | 2 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 503 | 9 | 1 | 7 | 6.5 | CCc1cc(CN2CC(C(=O)O)C2)sc1-c1noc(-c2ccc(Oc3ccccc3C(C)C)cc2)n1 | 10.1016/j.bmcl.2011.12.019 | ||
57395264 | 78435 | 0 | None | -12882 | 2 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 423 | 8 | 1 | 3 | 4.8 | CC1=C(CN2CC(C(=O)O)C2)CCc2cc(OC[C@H](C)Cc3ccc(F)cc3)ccc21 | 10.1016/j.bmcl.2011.11.048 | ||
CHEMBL1935583 | 78435 | 0 | None | -12882 | 2 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 423 | 8 | 1 | 3 | 4.8 | CC1=C(CN2CC(C(=O)O)C2)CCc2cc(OC[C@H](C)Cc3ccc(F)cc3)ccc21 | 10.1016/j.bmcl.2011.11.048 | ||
CHEMBL1963633 | 78435 | 0 | None | -12882 | 2 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 423 | 8 | 1 | 3 | 4.8 | CC1=C(CN2CC(C(=O)O)C2)CCc2cc(OC[C@H](C)Cc3ccc(F)cc3)ccc21 | 10.1016/j.bmcl.2011.11.048 | ||
53234382 | 155167 | 0 | None | -457 | 2 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 431 | 8 | 2 | 6 | 4.3 | CC(C)Oc1ccc(-c2onc3c2CCc2cc(CNCCC(=O)O)ccc2-3)cc1C#N | nan | ||
CHEMBL3937499 | 155167 | 0 | None | -457 | 2 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 431 | 8 | 2 | 6 | 4.3 | CC(C)Oc1ccc(-c2onc3c2CCc2cc(CNCCC(=O)O)ccc2-3)cc1C#N | nan | ||
24850258 | 64765 | 0 | None | 2 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 415 | 6 | 1 | 4 | 4.3 | O=C(O)C1CN(Cc2ccc(-n3cc4cc(Cc5ccccc5)ccc4n3)c(F)c2)C1 | 10.1021/ml100228m | ||
CHEMBL1672553 | 64765 | 0 | None | 2 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 415 | 6 | 1 | 4 | 4.3 | O=C(O)C1CN(Cc2ccc(-n3cc4cc(Cc5ccccc5)ccc4n3)c(F)c2)C1 | 10.1021/ml100228m | ||
118716140 | 121651 | 0 | None | -147 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 448 | 10 | 4 | 7 | 2.7 | COc1ccc(-c2nc(-c3ccc(CCC(N)(CO)COP(=O)(O)O)cc3)co2)cc1 | 10.1016/j.ejmech.2014.07.081 | ||
CHEMBL3341918 | 121651 | 0 | None | -147 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 448 | 10 | 4 | 7 | 2.7 | COc1ccc(-c2nc(-c3ccc(CCC(N)(CO)COP(=O)(O)O)cc3)co2)cc1 | 10.1016/j.ejmech.2014.07.081 | ||
76325531 | 112534 | 0 | None | -1584 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 454 | 11 | 3 | 8 | 2.5 | CCCc1cc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)ccn1 | 10.1021/jm4014696 | ||
CHEMBL3126602 | 112534 | 0 | None | -1584 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 454 | 11 | 3 | 8 | 2.5 | CCCc1cc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)ccn1 | 10.1021/jm4014696 | ||
76332955 | 112848 | 0 | None | -2 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 461 | 11 | 5 | 6 | 3.2 | CCc1nc(-c2ccc(Oc3ccc(CCC(N)(CO)COP(=O)(O)O)cc3)cc2)c[nH]1 | 10.1039/C3MD00079F | ||
CHEMBL3133597 | 112848 | 0 | None | -2 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 461 | 11 | 5 | 6 | 3.2 | CCc1nc(-c2ccc(Oc3ccc(CCC(N)(CO)COP(=O)(O)O)cc3)cc2)c[nH]1 | 10.1039/C3MD00079F | ||
76336566 | 112847 | 0 | None | -56 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 474 | 11 | 4 | 7 | 3.7 | NC(CO)(CCc1ccc(Oc2ccc(-c3coc(C4CC4)n3)cc2)cc1)COP(=O)(O)O | 10.1039/C3MD00079F | ||
CHEMBL3133596 | 112847 | 0 | None | -56 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 474 | 11 | 4 | 7 | 3.7 | NC(CO)(CCc1ccc(Oc2ccc(-c3coc(C4CC4)n3)cc2)cc1)COP(=O)(O)O | 10.1039/C3MD00079F | ||
57396084 | 77473 | 0 | None | -2238 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 476 | 7 | 3 | 6 | 4.3 | N[C@@H](CC(=O)O)C(=O)Nc1ccc(-c2nc3ccc(C4(c5ccccc5)CC4)nc3s2)c(F)c1 | 10.1016/j.bmcl.2011.12.073 | ||
CHEMBL1950569 | 77473 | 0 | None | -2238 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 476 | 7 | 3 | 6 | 4.3 | N[C@@H](CC(=O)O)C(=O)Nc1ccc(-c2nc3ccc(C4(c5ccccc5)CC4)nc3s2)c(F)c1 | 10.1016/j.bmcl.2011.12.073 | ||
11315069 | 15694 | 0 | None | -1 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 382 | 6 | 1 | 5 | 3.9 | CC(C)/N=C1\S/C(=C\c2ccc(OCCO)cc2)C(=O)N1c1ccccc1 | 10.1021/jm100181s | ||
CHEMBL1097801 | 15694 | 0 | None | -1 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 382 | 6 | 1 | 5 | 3.9 | CC(C)/N=C1\S/C(=C\c2ccc(OCCO)cc2)C(=O)N1c1ccccc1 | 10.1021/jm100181s | ||
46237178 | 15696 | 0 | None | 3 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 423 | 8 | 0 | 5 | 4.9 | CC(C)/N=C1\S/C(=C\c2ccc(OCCCN(C)C)cc2)C(=O)N1c1ccccc1 | 10.1021/jm100181s | ||
CHEMBL1097803 | 15696 | 0 | None | 3 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 423 | 8 | 0 | 5 | 4.9 | CC(C)/N=C1\S/C(=C\c2ccc(OCCCN(C)C)cc2)C(=O)N1c1ccccc1 | 10.1021/jm100181s | ||
46236270 | 15782 | 0 | None | -1 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 370 | 3 | 1 | 4 | 4.7 | O=C1/C(=C/c2ccc(O)c(Cl)c2)S/C(=N\C2CC2)N1c1ccccc1 | 10.1021/jm100181s | ||
CHEMBL1098449 | 15782 | 0 | None | -1 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 370 | 3 | 1 | 4 | 4.7 | O=C1/C(=C/c2ccc(O)c(Cl)c2)S/C(=N\C2CC2)N1c1ccccc1 | 10.1021/jm100181s | ||
76325748 | 112868 | 0 | None | -33 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 475 | 11 | 4 | 5 | 3.9 | NC(CO)(CCc1ccc(Oc2ccc(Cc3ccc(F)cc3)cc2)cc1)COP(=O)(O)O | 10.1039/C3MD00079F | ||
CHEMBL3133704 | 112868 | 0 | None | -33 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 475 | 11 | 4 | 5 | 3.9 | NC(CO)(CCc1ccc(Oc2ccc(Cc3ccc(F)cc3)cc2)cc1)COP(=O)(O)O | 10.1039/C3MD00079F | ||
66636757 | 112317 | 0 | None | -1288 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 445 | 10 | 3 | 8 | 2.9 | CCCc1ccc(-c2nc(-c3cc(C)c(OCC(O)CNC(=O)CO)c(C)c3)no2)s1 | 10.1021/jm401456d | ||
CHEMBL3121971 | 112317 | 0 | None | -1288 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 445 | 10 | 3 | 8 | 2.9 | CCCc1ccc(-c2nc(-c3cc(C)c(OCC(O)CNC(=O)CO)c(C)c3)no2)s1 | 10.1021/jm401456d | ||
25182900 | 159786 | 0 | None | -60 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 401 | 6 | 1 | 5 | 4.8 | O=C(Nc1ccnc2ccccc12)c1cc(N(CC2CC2)C2CCCCC2)ncn1 | nan | ||
CHEMBL3975495 | 159786 | 0 | None | -60 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 401 | 6 | 1 | 5 | 4.8 | O=C(Nc1ccnc2ccccc12)c1cc(N(CC2CC2)C2CCCCC2)ncn1 | nan | ||
44565738 | 196532 | 0 | None | -19 | 4 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 445 | 11 | 4 | 5 | 3.8 | C[C@](N)(COP(=O)(O)O)c1nc(-c2ccc(OCCCCc3ccccc3)cc2)c[nH]1 | 10.1016/j.bmcl.2009.02.073 | ||
CHEMBL515917 | 196532 | 0 | None | -19 | 4 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 445 | 11 | 4 | 5 | 3.8 | C[C@](N)(COP(=O)(O)O)c1nc(-c2ccc(OCCCCc3ccccc3)cc2)c[nH]1 | 10.1016/j.bmcl.2009.02.073 | ||
46236398 | 15332 | 0 | None | 2 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 380 | 7 | 1 | 4 | 5.3 | CCCCCCN1C(=O)/C(=C/c2ccc(O)c(Cl)c2)S/C1=N\C(C)C | 10.1021/jm100181s | ||
CHEMBL1094502 | 15332 | 0 | None | 2 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 380 | 7 | 1 | 4 | 5.3 | CCCCCCN1C(=O)/C(=C/c2ccc(O)c(Cl)c2)S/C1=N\C(C)C | 10.1021/jm100181s | ||
2924 | 8421 | 43 | None | -10 | 7 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N | 10.1021/jm901776q | ||
44398069 | 8421 | 43 | None | -10 | 7 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N | 10.1021/jm901776q | ||
9908268 | 8421 | 43 | None | -10 | 7 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N | 10.1021/jm901776q | ||
CHEMBL114606 | 8421 | 43 | None | -10 | 7 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N | 10.1021/jm901776q | ||
44565596 | 196325 | 0 | None | -104 | 4 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 422 | 11 | 4 | 5 | 2.9 | C[C@](N)(COP(=O)(O)O)C(=O)Nc1ccc(OCCCCc2ccccc2)cc1 | 10.1016/j.bmcl.2009.02.073 | ||
CHEMBL514302 | 196325 | 0 | None | -104 | 4 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 422 | 11 | 4 | 5 | 2.9 | C[C@](N)(COP(=O)(O)O)C(=O)Nc1ccc(OCCCCc2ccccc2)cc1 | 10.1016/j.bmcl.2009.02.073 | ||
24956673 | 15291 | 0 | None | -2 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 372 | 3 | 1 | 4 | 4.9 | CC(C)/N=C1\S/C(=C\c2ccc(O)c(Cl)c2)C(=O)N1c1ccccc1 | 10.1021/jm100181s | ||
CHEMBL1094192 | 15291 | 0 | None | -2 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 372 | 3 | 1 | 4 | 4.9 | CC(C)/N=C1\S/C(=C\c2ccc(O)c(Cl)c2)C(=O)N1c1ccccc1 | 10.1021/jm100181s | ||
42622931 | 146455 | 0 | None | -199 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 516 | 13 | 3 | 9 | 3.3 | CCCN(C)Cc1sc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)cc1C | 10.1016/j.ejmech.2016.03.048 | ||
CHEMBL3797940 | 146455 | 0 | None | -199 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 516 | 13 | 3 | 9 | 3.3 | CCCN(C)Cc1sc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)cc1C | 10.1016/j.ejmech.2016.03.048 | ||
66829308 | 146871 | 0 | None | -169 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 530 | 14 | 3 | 9 | 3.7 | CCCCN(C)Cc1sc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)cc1C | 10.1016/j.ejmech.2016.03.048 | ||
CHEMBL3800591 | 146871 | 0 | None | -169 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 530 | 14 | 3 | 9 | 3.7 | CCCCN(C)Cc1sc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)cc1C | 10.1016/j.ejmech.2016.03.048 | ||
11540052 | 187346 | 0 | None | -33 | 4 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 470 | 10 | 4 | 5 | 3.7 | C[C@](N)(COP(=O)(O)O)C(=O)Nc1ccc(OCCc2ccc(-c3ccccc3)cc2)cc1 | 10.1016/j.bmcl.2010.02.098 | ||
CHEMBL475405 | 187346 | 0 | None | -33 | 4 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 470 | 10 | 4 | 5 | 3.7 | C[C@](N)(COP(=O)(O)O)C(=O)Nc1ccc(OCCc2ccc(-c3ccccc3)cc2)cc1 | 10.1016/j.bmcl.2010.02.098 | ||
11624780 | 84717 | 0 | None | -354 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 365 | 7 | 1 | 5 | 4.3 | Cc1cc(CCC(=O)O)ccc1-c1noc(-c2ccc(CC(C)C)cn2)n1 | 10.1016/j.bmcl.2006.04.084 | ||
CHEMBL209566 | 84717 | 0 | None | -354 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 365 | 7 | 1 | 5 | 4.3 | Cc1cc(CCC(=O)O)ccc1-c1noc(-c2ccc(CC(C)C)cn2)n1 | 10.1016/j.bmcl.2006.04.084 | ||
11360553 | 65223 | 0 | None | -26 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 365 | 9 | 1 | 3 | 4.3 | O=C(O)CCN1CC=C(c2ccc(OCCCc3ccccc3)cc2)CC1 | 10.1016/j.bmcl.2011.01.029 | ||
CHEMBL1683049 | 65223 | 0 | None | -26 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 365 | 9 | 1 | 3 | 4.3 | O=C(O)CCN1CC=C(c2ccc(OCCCc3ccccc3)cc2)CC1 | 10.1016/j.bmcl.2011.01.029 | ||
53324339 | 64773 | 0 | None | -28 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 468 | 6 | 1 | 4 | 5.5 | O=C(O)C1CN(Cc2ccc(-c3nc4cc(Cc5ccc(F)cc5F)ccc4s3)c(F)c2)C1 | 10.1021/ml100228m | ||
CHEMBL1672561 | 64773 | 0 | None | -28 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 468 | 6 | 1 | 4 | 5.5 | O=C(O)C1CN(Cc2ccc(-c3nc4cc(Cc5ccc(F)cc5F)ccc4s3)c(F)c2)C1 | 10.1021/ml100228m | ||
127046096 | 146383 | 0 | None | -12 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 524 | 13 | 3 | 8 | 3.5 | CCc1cc(-c2noc(-c3ccc(C)c(CN(C)CC(C)C)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1016/j.ejmech.2016.03.048 | ||
CHEMBL3797452 | 146383 | 0 | None | -12 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 524 | 13 | 3 | 8 | 3.5 | CCc1cc(-c2noc(-c3ccc(C)c(CN(C)CC(C)C)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1016/j.ejmech.2016.03.048 | ||
56949137 | 157371 | 0 | None | -8 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 368 | 5 | 0 | 3 | 5.9 | Fc1ccc(-c2noc(CCC3(c4ccccc4)CCCCC3)n2)c(F)c1 | nan | ||
CHEMBL3955131 | 157371 | 0 | None | -8 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 368 | 5 | 0 | 3 | 5.9 | Fc1ccc(-c2noc(CCC3(c4ccccc4)CCCCC3)n2)c(F)c1 | nan | ||
57391457 | 77677 | 0 | None | -109 | 2 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 447 | 7 | 1 | 7 | 5.1 | Cc1ccc(Oc2ccc(-c3nc(-c4csc(CN5CC(C(=O)O)C5)c4)no3)cc2)cc1 | 10.1016/j.bmcl.2011.12.019 | ||
CHEMBL1951155 | 77677 | 0 | None | -109 | 2 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 447 | 7 | 1 | 7 | 5.1 | Cc1ccc(Oc2ccc(-c3nc(-c4csc(CN5CC(C(=O)O)C5)c4)no3)cc2)cc1 | 10.1016/j.bmcl.2011.12.019 | ||
118707197 | 119821 | 0 | None | -5248 | 2 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 463 | 13 | 3 | 5 | 4.1 | CCc1cc(C(=O)CCCc2ccc(C)cc2)ccc1COC[C@@](C)(N)COP(=O)(O)O | 10.1016/j.bmc.2014.05.035 | ||
CHEMBL3311352 | 119821 | 0 | None | -5248 | 2 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 463 | 13 | 3 | 5 | 4.1 | CCc1cc(C(=O)CCCc2ccc(C)cc2)ccc1COC[C@@](C)(N)COP(=O)(O)O | 10.1016/j.bmc.2014.05.035 | ||
46846901 | 146872 | 0 | None | -7585 | 2 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 430 | 7 | 1 | 7 | 4.1 | CCc1c(-c2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3)no2)noc1-c1ccccc1 | 10.1021/acs.jmedchem.6b00089 | ||
CHEMBL3800595 | 146872 | 0 | None | -7585 | 2 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 430 | 7 | 1 | 7 | 4.1 | CCc1c(-c2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3)no2)noc1-c1ccccc1 | 10.1021/acs.jmedchem.6b00089 | ||
53318124 | 64163 | 0 | None | -28 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 432 | 6 | 1 | 4 | 5.2 | O=C(O)C1CN(Cc2ccc(-c3nc4cc(Cc5ccccc5)ccc4s3)c(F)c2)C1 | 10.1016/j.bmcl.2011.10.069 | ||
CHEMBL1651850 | 64163 | 0 | None | -28 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 432 | 6 | 1 | 4 | 5.2 | O=C(O)C1CN(Cc2ccc(-c3nc4cc(Cc5ccccc5)ccc4s3)c(F)c2)C1 | 10.1016/j.bmcl.2011.10.069 | ||
53318124 | 64163 | 0 | None | -28 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 432 | 6 | 1 | 4 | 5.2 | O=C(O)C1CN(Cc2ccc(-c3nc4cc(Cc5ccccc5)ccc4s3)c(F)c2)C1 | 10.1021/ml100228m | ||
CHEMBL1651850 | 64163 | 0 | None | -28 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 432 | 6 | 1 | 4 | 5.2 | O=C(O)C1CN(Cc2ccc(-c3nc4cc(Cc5ccccc5)ccc4s3)c(F)c2)C1 | 10.1021/ml100228m | ||
53318124 | 64163 | 0 | None | -28 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 432 | 6 | 1 | 4 | 5.2 | O=C(O)C1CN(Cc2ccc(-c3nc4cc(Cc5ccccc5)ccc4s3)c(F)c2)C1 | 10.1021/ml100306h | ||
CHEMBL1651850 | 64163 | 0 | None | -28 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 432 | 6 | 1 | 4 | 5.2 | O=C(O)C1CN(Cc2ccc(-c3nc4cc(Cc5ccccc5)ccc4s3)c(F)c2)C1 | 10.1021/ml100306h | ||
118716182 | 121679 | 0 | None | -81 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 502 | 10 | 4 | 8 | 2.6 | NC(CO)(CCc1ccc(-c2cn(-c3ccc(OC(F)(F)F)cc3)nn2)cc1)COP(=O)(O)O | 10.1016/j.ejmech.2014.07.081 | ||
CHEMBL3342007 | 121679 | 0 | None | -81 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 502 | 10 | 4 | 8 | 2.6 | NC(CO)(CCc1ccc(-c2cn(-c3ccc(OC(F)(F)F)cc3)nn2)cc1)COP(=O)(O)O | 10.1016/j.ejmech.2014.07.081 | ||
11852955 | 112346 | 0 | None | -81 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 513 | 9 | 3 | 8 | 4.0 | CCc1cc(-c2noc(-c3sc(C)c4c3CCC(C)(C)C4)n2)cc(C)c1OCC(O)CNC(=O)CO | 10.1021/jm401456d | ||
CHEMBL3122000 | 112346 | 0 | None | -81 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 513 | 9 | 3 | 8 | 4.0 | CCc1cc(-c2noc(-c3sc(C)c4c3CCC(C)(C)C4)n2)cc(C)c1OCC(O)CNC(=O)CO | 10.1021/jm401456d | ||
44412827 | 84516 | 0 | None | -102 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 432 | 9 | 1 | 4 | 6.9 | Cc1cc(CCCCCC(=O)O)ccc1-c1noc(-c2ccc(C3CCCCC3)cc2)n1 | 10.1016/j.bmcl.2006.04.084 | ||
CHEMBL209008 | 84516 | 0 | None | -102 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 432 | 9 | 1 | 4 | 6.9 | Cc1cc(CCCCCC(=O)O)ccc1-c1noc(-c2ccc(C3CCCCC3)cc2)n1 | 10.1016/j.bmcl.2006.04.084 | ||
46238366 | 15588 | 0 | None | -6 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 358 | 3 | 1 | 4 | 4.5 | CC/N=C1\S/C(=C\c2ccc(O)c(Cl)c2)C(=O)N1c1ccccc1 | 10.1021/jm100181s | ||
CHEMBL1096788 | 15588 | 0 | None | -6 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 358 | 3 | 1 | 4 | 4.5 | CC/N=C1\S/C(=C\c2ccc(O)c(Cl)c2)C(=O)N1c1ccccc1 | 10.1021/jm100181s | ||
11224984 | 15489 | 23 | None | -44 | 4 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 460 | 8 | 2 | 6 | 4.3 | CCC/N=C1\S/C(=C\c2ccc(OC[C@@H](O)CO)c(Cl)c2)C(=O)N1c1ccccc1C | 10.1021/jm100181s | ||
CHEMBL1095833 | 15489 | 23 | None | -44 | 4 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 460 | 8 | 2 | 6 | 4.3 | CCC/N=C1\S/C(=C\c2ccc(OC[C@@H](O)CO)c(Cl)c2)C(=O)N1c1ccccc1C | 10.1021/jm100181s | ||
44439850 | 152805 | 0 | None | -588 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 446 | 6 | 1 | 5 | 5.7 | Cc1cc([C@@H]2C[C@H]2C(=O)O)ccc1-c1noc(-c2ccc(OC(C)C)c(C(F)(F)F)c2)n1 | 10.1016/j.bmcl.2006.10.057 | ||
CHEMBL391870 | 152805 | 0 | None | -588 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 446 | 6 | 1 | 5 | 5.7 | Cc1cc([C@@H]2C[C@H]2C(=O)O)ccc1-c1noc(-c2ccc(OC(C)C)c(C(F)(F)F)c2)n1 | 10.1016/j.bmcl.2006.10.057 | ||
76318197 | 112541 | 0 | None | -53 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 495 | 10 | 3 | 9 | 2.4 | CCc1cc(-c2noc(-c3cnc(N4CCCC4)c(C)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1021/jm4014696 | ||
CHEMBL3126609 | 112541 | 0 | None | -53 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 495 | 10 | 3 | 9 | 2.4 | CCc1cc(-c2noc(-c3cnc(N4CCCC4)c(C)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1021/jm4014696 | ||
46237179 | 15600 | 0 | None | -11 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 430 | 7 | 1 | 5 | 4.9 | CCC/N=C1\S/C(=C\c2ccc(OCCO)c(Cl)c2)C(=O)N1c1ccccc1C | 10.1021/jm100181s | ||
CHEMBL1096873 | 15600 | 0 | None | -11 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 430 | 7 | 1 | 5 | 4.9 | CCC/N=C1\S/C(=C\c2ccc(OCCO)c(Cl)c2)C(=O)N1c1ccccc1C | 10.1021/jm100181s | ||
46236400 | 15330 | 0 | None | 3 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 396 | 6 | 1 | 6 | 3.7 | CCOC(=O)CCN1C(=O)/C(=C/c2ccc(O)c(Cl)c2)S/C1=N\C(C)C | 10.1021/jm100181s | ||
CHEMBL1094491 | 15330 | 0 | None | 3 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 396 | 6 | 1 | 6 | 3.7 | CCOC(=O)CCN1C(=O)/C(=C/c2ccc(O)c(Cl)c2)S/C1=N\C(C)C | 10.1021/jm100181s | ||
44199424 | 112549 | 0 | None | -251 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 482 | 11 | 3 | 8 | 3.0 | CCc1cc(-c2noc(-c3cc(C)cc(CC(C)C)n3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1021/jm4014696 | ||
CHEMBL3126617 | 112549 | 0 | None | -251 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 482 | 11 | 3 | 8 | 3.0 | CCc1cc(-c2noc(-c3cc(C)cc(CC(C)C)n3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1021/jm4014696 | ||
70690096 | 81761 | 0 | None | -1258 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 480 | 7 | 1 | 4 | 6.1 | O=C(O)C1CN(CCCc2ccc3oc(-c4ccc(-c5ccccc5)c(C(F)(F)F)c4)nc3c2)C1 | 10.1016/j.bmcl.2012.04.095 | ||
CHEMBL2032441 | 81761 | 0 | None | -1258 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 480 | 7 | 1 | 4 | 6.1 | O=C(O)C1CN(CCCc2ccc3oc(-c4ccc(-c5ccccc5)c(C(F)(F)F)c4)nc3c2)C1 | 10.1016/j.bmcl.2012.04.095 | ||
44219369 | 146732 | 0 | None | -346 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 496 | 12 | 3 | 8 | 2.9 | CCc1cc(-c2noc(-c3cc(C)cc(CN(C)CC)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1016/j.ejmech.2016.03.048 | ||
CHEMBL3799748 | 146732 | 0 | None | -346 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 496 | 12 | 3 | 8 | 2.9 | CCc1cc(-c2noc(-c3cc(C)cc(CN(C)CC)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1016/j.ejmech.2016.03.048 | ||
66636736 | 112316 | 0 | None | -269 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 459 | 11 | 3 | 8 | 3.3 | CCCCc1ccc(-c2nc(-c3cc(C)c(OCC(O)CNC(=O)CO)c(C)c3)no2)s1 | 10.1021/jm401456d | ||
CHEMBL3121970 | 112316 | 0 | None | -269 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 459 | 11 | 3 | 8 | 3.3 | CCCCc1ccc(-c2nc(-c3cc(C)c(OCC(O)CNC(=O)CO)c(C)c3)no2)s1 | 10.1021/jm401456d | ||
66655198 | 170439 | 0 | None | -79 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 449 | 7 | 1 | 4 | 5.2 | O=C(O)CCCN1CCC2(CC1)COc1cc(OCc3c(Cl)cccc3Cl)ccc12 | 10.1016/j.bmcl.2017.12.018 | ||
CHEMBL4204437 | 170439 | 0 | None | -79 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 449 | 7 | 1 | 4 | 5.2 | O=C(O)CCCN1CCC2(CC1)COc1cc(OCc3c(Cl)cccc3Cl)ccc12 | 10.1016/j.bmcl.2017.12.018 | ||
70694326 | 81752 | 0 | None | -1000 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 480 | 5 | 1 | 4 | 6.9 | O=C(O)CC1CCN(c2ccc3oc(-c4ccc(-c5ccccc5)c(C(F)(F)F)c4)nc3c2)CC1 | 10.1016/j.bmcl.2012.04.095 | ||
CHEMBL2032432 | 81752 | 0 | None | -1000 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 480 | 5 | 1 | 4 | 6.9 | O=C(O)CC1CCN(c2ccc3oc(-c4ccc(-c5ccccc5)c(C(F)(F)F)c4)nc3c2)CC1 | 10.1016/j.bmcl.2012.04.095 | ||
44129373 | 123173 | 0 | None | -2511 | 2 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 418 | 6 | 2 | 7 | 3.7 | CC(C)Oc1ccc(-c2nc(-c3cccc4c3CCNC4CC(=O)O)no2)cc1C#N | 10.1021/jm5010336 | ||
CHEMBL3359849 | 123173 | 0 | None | -2511 | 2 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 418 | 6 | 2 | 7 | 3.7 | CC(C)Oc1ccc(-c2nc(-c3cccc4c3CCNC4CC(=O)O)no2)cc1C#N | 10.1021/jm5010336 | ||
11852437 | 112322 | 0 | None | -316 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 444 | 9 | 2 | 5 | 5.0 | CCc1sc(C(=O)CCc2cc(C)c(OC[C@@H](O)CO)c(C)c2)c2c1CC(C)(C)CC2 | 10.1021/jm401456d | ||
CHEMBL3121977 | 112322 | 0 | None | -316 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 444 | 9 | 2 | 5 | 5.0 | CCc1sc(C(=O)CCc2cc(C)c(OC[C@@H](O)CO)c(C)c2)c2c1CC(C)(C)CC2 | 10.1021/jm401456d | ||
46236662 | 15545 | 0 | None | 1 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 402 | 4 | 1 | 5 | 4.9 | COc1ccc(N2C(=O)/C(=C/c3ccc(O)c(Cl)c3)S/C2=N\C(C)C)cc1 | 10.1021/jm100181s | ||
CHEMBL1096478 | 15545 | 0 | None | 1 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 402 | 4 | 1 | 5 | 4.9 | COc1ccc(N2C(=O)/C(=C/c3ccc(O)c(Cl)c3)S/C2=N\C(C)C)cc1 | 10.1021/jm100181s | ||
73333750 | 112845 | 0 | None | -31 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 448 | 10 | 4 | 7 | 3.2 | Cc1nc(-c2ccc(Oc3ccc(CCC(N)(CO)COP(=O)(O)O)cc3)cc2)co1 | 10.1039/C3MD00079F | ||
CHEMBL3133594 | 112845 | 0 | None | -31 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 448 | 10 | 4 | 7 | 3.2 | Cc1nc(-c2ccc(Oc3ccc(CCC(N)(CO)COP(=O)(O)O)cc3)cc2)co1 | 10.1039/C3MD00079F | ||
46236271 | 15784 | 0 | None | 1 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 384 | 3 | 1 | 4 | 5.1 | O=C1/C(=C/c2ccc(O)c(Cl)c2)S/C(=N\C2CCC2)N1c1ccccc1 | 10.1021/jm100181s | ||
CHEMBL1098450 | 15784 | 0 | None | 1 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 384 | 3 | 1 | 4 | 5.1 | O=C1/C(=C/c2ccc(O)c(Cl)c2)S/C(=N\C2CCC2)N1c1ccccc1 | 10.1021/jm100181s | ||
24957028 | 15700 | 0 | None | -3 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 406 | 3 | 1 | 4 | 5.6 | CC(C)/N=C1\S/C(=C\c2ccc(O)c(Cl)c2)C(=O)N1c1cccc(Cl)c1 | 10.1021/jm100181s | ||
CHEMBL1097808 | 15700 | 0 | None | -3 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 406 | 3 | 1 | 4 | 5.6 | CC(C)/N=C1\S/C(=C\c2ccc(O)c(Cl)c2)C(=O)N1c1cccc(Cl)c1 | 10.1021/jm100181s | ||
45255648 | 155692 | 0 | None | -19 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 454 | 10 | 3 | 9 | 2.2 | CCOc1ccc(-c2nc(-c3cccc4c3CCN4CC(N)(CO)CO)no2)cc1OCC | nan | ||
CHEMBL3941765 | 155692 | 0 | None | -19 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 454 | 10 | 3 | 9 | 2.2 | CCOc1ccc(-c2nc(-c3cccc4c3CCN4CC(N)(CO)CO)no2)cc1OCC | nan | ||
46205774 | 14689 | 0 | None | -8 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 491 | 11 | 4 | 5 | 4.3 | NC(CO)(CCc1ccc(-c2ccc(OCc3ccccc3)cc2)cc1Cl)COP(=O)(O)O | 10.1021/jm901776q | ||
CHEMBL1090223 | 14689 | 0 | None | -8 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 491 | 11 | 4 | 5 | 4.3 | NC(CO)(CCc1ccc(-c2ccc(OCc3ccccc3)cc2)cc1Cl)COP(=O)(O)O | 10.1021/jm901776q | ||
76336568 | 112787 | 0 | None | -1 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 407 | 11 | 4 | 4 | 2.8 | CCc1ccc(CCc2ccc(CCC(N)(CO)COP(=O)(O)O)cc2)cc1 | 10.1039/C3MD00079F | ||
CHEMBL3132869 | 112787 | 0 | None | -1 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 407 | 11 | 4 | 4 | 2.8 | CCc1ccc(CCc2ccc(CCC(N)(CO)COP(=O)(O)O)cc2)cc1 | 10.1039/C3MD00079F | ||
46846912 | 146581 | 0 | None | -128 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 478 | 7 | 1 | 7 | 5.2 | O=C(O)C1CN(Cc2ccc(-c3noc(-c4noc(-c5ccccc5)c4-c4ccccc4)n3)cc2)C1 | 10.1021/acs.jmedchem.6b00089 | ||
CHEMBL3798784 | 146581 | 0 | None | -128 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 478 | 7 | 1 | 7 | 5.2 | O=C(O)C1CN(Cc2ccc(-c3noc(-c4noc(-c5ccccc5)c4-c4ccccc4)n3)cc2)C1 | 10.1021/acs.jmedchem.6b00089 | ||
70688177 | 82056 | 0 | None | -33 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 495 | 6 | 2 | 5 | 4.9 | Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(C(F)(F)F)c2)c(=O)c2cnc(CCC(=O)O)cc21 | 10.1021/ml200252b | ||
CHEMBL2037131 | 82056 | 0 | None | -33 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 495 | 6 | 2 | 5 | 4.9 | Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(C(F)(F)F)c2)c(=O)c2cnc(CCC(=O)O)cc21 | 10.1021/ml200252b | ||
58537228 | 146723 | 0 | None | -2951 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 444 | 8 | 1 | 7 | 4.5 | CCCc1c(-c2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3)no2)noc1-c1ccccc1 | 10.1021/acs.jmedchem.6b00089 | ||
CHEMBL3799693 | 146723 | 0 | None | -2951 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 444 | 8 | 1 | 7 | 4.5 | CCCc1c(-c2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3)no2)noc1-c1ccccc1 | 10.1021/acs.jmedchem.6b00089 | ||
57570486 | 94371 | 0 | None | -3235 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 516 | 11 | 2 | 4 | 7.1 | C/C(=N\OCc1ccc(C2CCCCC2)c(C(F)(F)F)c1)c1ccc(CNCCC(=O)O)c(C2CC2)c1 | 10.1021/ml300396r | ||
CHEMBL2336069 | 94371 | 0 | None | -3235 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 516 | 11 | 2 | 4 | 7.1 | C/C(=N\OCc1ccc(C2CCCCC2)c(C(F)(F)F)c1)c1ccc(CNCCC(=O)O)c(C2CC2)c1 | 10.1021/ml300396r | ||
56949017 | 151566 | 0 | None | 2 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 480 | 7 | 0 | 5 | 7.1 | Clc1ncn(Cc2cccc(-c3noc(CCC4(c5ccccc5)CCCCC4)n3)c2)c1Cl | nan | ||
CHEMBL3909228 | 151566 | 0 | None | 2 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 480 | 7 | 0 | 5 | 7.1 | Clc1ncn(Cc2cccc(-c3noc(CCC4(c5ccccc5)CCCCC4)n3)c2)c1Cl | nan | ||
53235407 | 156273 | 0 | None | -1000 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 404 | 6 | 1 | 5 | 4.4 | CCCc1ccc(-c2noc3c2COc2cc(CN4CC(C(=O)O)C4)ccc2-3)cc1 | nan | ||
CHEMBL3946363 | 156273 | 0 | None | -1000 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 404 | 6 | 1 | 5 | 4.4 | CCCc1ccc(-c2noc3c2COc2cc(CN4CC(C(=O)O)C4)ccc2-3)cc1 | nan | ||
57395297 | 77686 | 0 | None | -426 | 2 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 475 | 9 | 1 | 7 | 5.7 | CCCc1cc(CN2CC(C(=O)O)C2)sc1-c1noc(-c2ccc(Oc3ccccc3)cc2)n1 | 10.1016/j.bmcl.2011.12.019 | ||
CHEMBL1951305 | 77686 | 0 | None | -426 | 2 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 475 | 9 | 1 | 7 | 5.7 | CCCc1cc(CN2CC(C(=O)O)C2)sc1-c1noc(-c2ccc(Oc3ccccc3)cc2)n1 | 10.1016/j.bmcl.2011.12.019 | ||
46881538 | 14098 | 0 | None | -66 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 529 | 12 | 3 | 7 | 3.7 | Cc1cc(S(=O)(=O)NCCCC(=O)O)ccc1NC(=O)c1cc(N(CC2CC2)C2CCCCC2)ncn1 | nan | ||
CHEMBL1086158 | 14098 | 0 | None | -66 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 529 | 12 | 3 | 7 | 3.7 | Cc1cc(S(=O)(=O)NCCCC(=O)O)ccc1NC(=O)c1cc(N(CC2CC2)C2CCCCC2)ncn1 | nan | ||
44599024 | 64175 | 0 | None | -10 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 473 | 6 | 1 | 5 | 5.5 | O=C(O)C1CN(Cc2ccc(-c3nc4ccc(C5(c6ccccc6)CCC5)nc4s3)c(F)c2)C1 | 10.1021/ml100306h | ||
CHEMBL1651862 | 64175 | 0 | None | -10 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 473 | 6 | 1 | 5 | 5.5 | O=C(O)C1CN(Cc2ccc(-c3nc4ccc(C5(c6ccccc6)CCC5)nc4s3)c(F)c2)C1 | 10.1021/ml100306h | ||
76321895 | 112539 | 0 | None | -13489 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 482 | 12 | 3 | 8 | 3.4 | CCc1cc(-c2noc(-c3ccnc(C(CC)CC)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1021/jm4014696 | ||
CHEMBL3126607 | 112539 | 0 | None | -13489 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 482 | 12 | 3 | 8 | 3.4 | CCc1cc(-c2noc(-c3ccnc(C(CC)CC)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1021/jm4014696 | ||
46224715 | 206037 | 0 | None | -123 | 4 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 371 | 3 | 1 | 5 | 2.5 | Cc1nn(C(=O)/C=C/c2cccc(S(N)(=O)=O)c2)c2c1[C@H]1[C@@H](C2)C1(C)C | 10.1016/j.bmcl.2009.11.045 | ||
CHEMBL590135 | 206037 | 0 | None | -123 | 4 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 371 | 3 | 1 | 5 | 2.5 | Cc1nn(C(=O)/C=C/c2cccc(S(N)(=O)=O)c2)c2c1[C@H]1[C@@H](C2)C1(C)C | 10.1016/j.bmcl.2009.11.045 | ||
11553524 | 111176 | 0 | None | -741 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 418 | 7 | 1 | 4 | 5.5 | Cc1cc(CCC(=O)c2sc(C)c3c2C[C@@H]2[C@H]3C2(C)C)cc(Cl)c1OCCO | 10.1021/jm4014373 | ||
CHEMBL3102989 | 111176 | 0 | None | -741 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 418 | 7 | 1 | 4 | 5.5 | Cc1cc(CCC(=O)c2sc(C)c3c2C[C@@H]2[C@H]3C2(C)C)cc(Cl)c1OCCO | 10.1021/jm4014373 | ||
46236931 | 15790 | 0 | None | 7 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 400 | 3 | 0 | 3 | 5.3 | CC(C)/N=C1\S/C(=C\c2ccc(Br)cc2)C(=O)N1c1ccccc1 | 10.1021/jm100181s | ||
CHEMBL1098484 | 15790 | 0 | None | 7 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 400 | 3 | 0 | 3 | 5.3 | CC(C)/N=C1\S/C(=C\c2ccc(Br)cc2)C(=O)N1c1ccccc1 | 10.1021/jm100181s | ||
46236929 | 15748 | 0 | None | -6 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 382 | 5 | 0 | 5 | 4.6 | COc1ccc(/C=C2\S/C(=N\C(C)C)N(c3ccccc3)C2=O)cc1OC | 10.1021/jm100181s | ||
CHEMBL1098202 | 15748 | 0 | None | -6 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 382 | 5 | 0 | 5 | 4.6 | COc1ccc(/C=C2\S/C(=N\C(C)C)N(c3ccccc3)C2=O)cc1OC | 10.1021/jm100181s | ||
118716177 | 121674 | 0 | None | -12 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 432 | 9 | 4 | 7 | 2.0 | Cc1ccc(-n2cc(-c3ccc(CCC(N)(CO)COP(=O)(O)O)cc3)nn2)cc1 | 10.1016/j.ejmech.2014.07.081 | ||
CHEMBL3342002 | 121674 | 0 | None | -12 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 432 | 9 | 4 | 7 | 2.0 | Cc1ccc(-n2cc(-c3ccc(CCC(N)(CO)COP(=O)(O)O)cc3)nn2)cc1 | 10.1016/j.ejmech.2014.07.081 | ||
24956675 | 15408 | 0 | None | -4 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 386 | 3 | 1 | 4 | 5.2 | Cc1ccccc1N1C(=O)/C(=C/c2ccc(O)c(Cl)c2)S/C1=N\C(C)C | 10.1021/jm100181s | ||
CHEMBL1095152 | 15408 | 0 | None | -4 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 386 | 3 | 1 | 4 | 5.2 | Cc1ccccc1N1C(=O)/C(=C/c2ccc(O)c(Cl)c2)S/C1=N\C(C)C | 10.1021/jm100181s | ||
44217839 | 112550 | 0 | None | -107 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 482 | 11 | 3 | 8 | 3.0 | CCc1cc(-c2noc(-c3cc(CC(C)C)cc(C)n3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1021/jm4014696 | ||
CHEMBL3126618 | 112550 | 0 | None | -107 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 482 | 11 | 3 | 8 | 3.0 | CCc1cc(-c2noc(-c3cc(CC(C)C)cc(C)n3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1021/jm4014696 | ||
118716186 | 121683 | 0 | None | -5 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 443 | 9 | 4 | 8 | 1.5 | N#Cc1ccc(-n2cc(-c3ccc(CCC(N)(CO)COP(=O)(O)O)cc3)nn2)cc1 | 10.1016/j.ejmech.2014.07.081 | ||
CHEMBL3342011 | 121683 | 0 | None | -5 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 443 | 9 | 4 | 8 | 1.5 | N#Cc1ccc(-n2cc(-c3ccc(CCC(N)(CO)COP(=O)(O)O)cc3)nn2)cc1 | 10.1016/j.ejmech.2014.07.081 | ||
118716155 | 121668 | 0 | None | -3 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 500 | 10 | 4 | 6 | 3.7 | NC(CO)(CCc1ccc(-c2coc(Cc3ccc(C(F)(F)F)cc3)n2)cc1)COP(=O)(O)O | 10.1016/j.ejmech.2014.07.081 | ||
CHEMBL3341933 | 121668 | 0 | None | -3 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 500 | 10 | 4 | 6 | 3.7 | NC(CO)(CCc1ccc(-c2coc(Cc3ccc(C(F)(F)F)cc3)n2)cc1)COP(=O)(O)O | 10.1016/j.ejmech.2014.07.081 | ||
44591265 | 186760 | 0 | None | -23 | 4 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 425 | 13 | 4 | 5 | 4.1 | CCCCCCCCOc1ccc(-c2c[nH]c([C@@](C)(N)COP(=O)(O)O)n2)cc1 | 10.1016/j.bmcl.2008.11.072 | ||
CHEMBL474689 | 186760 | 0 | None | -23 | 4 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 425 | 13 | 4 | 5 | 4.1 | CCCCCCCCOc1ccc(-c2c[nH]c([C@@](C)(N)COP(=O)(O)O)n2)cc1 | 10.1016/j.bmcl.2008.11.072 | ||
46238363 | 15586 | 0 | None | -2 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 373 | 3 | 1 | 5 | 4.0 | CN(C)/N=C1\S/C(=C\c2ccc(O)c(Cl)c2)C(=O)N1c1ccccc1 | 10.1021/jm100181s | ||
CHEMBL1096786 | 15586 | 0 | None | -2 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 373 | 3 | 1 | 5 | 4.0 | CN(C)/N=C1\S/C(=C\c2ccc(O)c(Cl)c2)C(=O)N1c1ccccc1 | 10.1021/jm100181s | ||
127046549 | 146838 | 0 | None | -199 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 510 | 11 | 3 | 9 | 3.1 | CCc1cc(-c2noc(-c3cnc(OC4CCCC4)c(C)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1016/j.ejmech.2016.03.020 | ||
CHEMBL3800402 | 146838 | 0 | None | -199 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 510 | 11 | 3 | 9 | 3.1 | CCc1cc(-c2noc(-c3cnc(OC4CCCC4)c(C)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1016/j.ejmech.2016.03.020 | ||
11852143 | 112351 | 0 | None | -549 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 430 | 8 | 2 | 5 | 4.7 | Cc1cc(CCC(=O)c2sc(C)c3c2CCC(C)(C)C3)cc(C)c1OC[C@@H](O)CO | 10.1021/jm401456d | ||
CHEMBL3122005 | 112351 | 0 | None | -549 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 430 | 8 | 2 | 5 | 4.7 | Cc1cc(CCC(=O)c2sc(C)c3c2CCC(C)(C)C3)cc(C)c1OC[C@@H](O)CO | 10.1021/jm401456d | ||
67266022 | 146842 | 0 | None | -70 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 516 | 13 | 4 | 9 | 3.2 | CCc1cc(-c2noc(-c3cc(C)c(CNCC(C)C)s3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1016/j.ejmech.2016.03.048 | ||
CHEMBL3800430 | 146842 | 0 | None | -70 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 516 | 13 | 4 | 9 | 3.2 | CCc1cc(-c2noc(-c3cc(C)c(CNCC(C)C)s3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1016/j.ejmech.2016.03.048 | ||
44217997 | 146362 | 0 | None | -933 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 498 | 12 | 3 | 9 | 2.7 | CCc1cc(-c2noc(-c3cc(OC)cc(CC(C)C)n3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1016/j.ejmech.2016.03.020 | ||
CHEMBL3797365 | 146362 | 0 | None | -933 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 498 | 12 | 3 | 9 | 2.7 | CCc1cc(-c2noc(-c3cc(OC)cc(CC(C)C)n3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1016/j.ejmech.2016.03.020 | ||
127046568 | 146365 | 0 | None | -128 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 510 | 11 | 3 | 9 | 3.1 | CCc1cc(-c2noc(-c3cc(OC4CCCC4)cc(C)n3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1016/j.ejmech.2016.03.020 | ||
CHEMBL3797376 | 146365 | 0 | None | -128 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 510 | 11 | 3 | 9 | 3.1 | CCc1cc(-c2noc(-c3cc(OC4CCCC4)cc(C)n3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1016/j.ejmech.2016.03.020 | ||
57391821 | 78434 | 0 | None | -707 | 2 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 405 | 8 | 1 | 3 | 4.8 | CC1=C(CN2CC(C(=O)O)C2)CCc2cc(OC(C)CCc3ccccc3)ccc21 | 10.1016/j.bmcl.2011.11.048 | ||
CHEMBL1935581 | 78434 | 0 | None | -707 | 2 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 405 | 8 | 1 | 3 | 4.8 | CC1=C(CN2CC(C(=O)O)C2)CCc2cc(OC(C)CCc3ccccc3)ccc21 | 10.1016/j.bmcl.2011.11.048 | ||
CHEMBL1963632 | 78434 | 0 | None | -707 | 2 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 405 | 8 | 1 | 3 | 4.8 | CC1=C(CN2CC(C(=O)O)C2)CCc2cc(OC(C)CCc3ccccc3)ccc21 | 10.1016/j.bmcl.2011.11.048 | ||
57437353 | 112340 | 0 | None | -234 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 515 | 12 | 3 | 6 | 4.4 | CCc1cc(CCC(=O)c2sc(CC)c3c2CCC(C)(C)C3)cc(C)c1OCC(O)CNC(=O)CO | 10.1021/jm401456d | ||
CHEMBL3121995 | 112340 | 0 | None | -234 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 515 | 12 | 3 | 6 | 4.4 | CCc1cc(CCC(=O)c2sc(CC)c3c2CCC(C)(C)C3)cc(C)c1OCC(O)CNC(=O)CO | 10.1021/jm401456d | ||
46237176 | 15635 | 0 | None | 6 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 412 | 7 | 2 | 6 | 3.3 | CC(C)/N=C1\S/C(=C\c2ccc(OC(CO)CO)cc2)C(=O)N1c1ccccc1 | 10.1021/jm100181s | ||
CHEMBL1097183 | 15635 | 0 | None | 6 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 412 | 7 | 2 | 6 | 3.3 | CC(C)/N=C1\S/C(=C\c2ccc(OC(CO)CO)cc2)C(=O)N1c1ccccc1 | 10.1021/jm100181s | ||
46236523 | 15734 | 0 | None | -3 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 420 | 3 | 1 | 4 | 5.9 | Cc1ccc(N2C(=O)/C(=C/c3ccc(O)c(Cl)c3)S/C2=N\C(C)C)cc1Cl | 10.1021/jm100181s | ||
CHEMBL1098143 | 15734 | 0 | None | -3 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 420 | 3 | 1 | 4 | 5.9 | Cc1ccc(N2C(=O)/C(=C/c3ccc(O)c(Cl)c3)S/C2=N\C(C)C)cc1Cl | 10.1021/jm100181s | ||
57397897 | 77470 | 0 | None | -724 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 447 | 8 | 2 | 5 | 4.8 | O=C(O)CNCCc1ccc(-c2nc3ccc(C4(c5ccccc5)CC4)nc3s2)c(F)c1 | 10.1016/j.bmcl.2011.12.073 | ||
CHEMBL1950566 | 77470 | 0 | None | -724 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 447 | 8 | 2 | 5 | 4.8 | O=C(O)CNCCc1ccc(-c2nc3ccc(C4(c5ccccc5)CC4)nc3s2)c(F)c1 | 10.1016/j.bmcl.2011.12.073 | ||
16737345 | 64126 | 0 | None | -1 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 390 | 5 | 1 | 4 | 4.6 | O=C(O)C1CN(Cc2ccc(-c3cc4cc(N5CCCCC5)ccc4o3)cc2)C1 | 10.1021/ml100227q | ||
CHEMBL1651708 | 64126 | 0 | None | -1 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 390 | 5 | 1 | 4 | 4.6 | O=C(O)C1CN(Cc2ccc(-c3cc4cc(N5CCCCC5)ccc4o3)cc2)C1 | 10.1021/ml100227q | ||
66829311 | 146587 | 0 | None | -288 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 530 | 13 | 3 | 9 | 3.6 | CCc1cc(-c2noc(-c3cc(C)c(CN(C)CC(C)C)s3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1016/j.ejmech.2016.03.048 | ||
CHEMBL3798837 | 146587 | 0 | None | -288 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 530 | 13 | 3 | 9 | 3.6 | CCc1cc(-c2noc(-c3cc(C)c(CN(C)CC(C)C)s3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1016/j.ejmech.2016.03.048 | ||
67170110 | 150542 | 0 | None | -7079 | 2 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 499 | 4 | 1 | 6 | 5.4 | O=C(O)C1CN(c2cc3c(cc2F)-c2noc(-c4onc(-c5ccccc5)c4C(F)(F)F)c2CC3)C1 | nan | ||
CHEMBL3900885 | 150542 | 0 | None | -7079 | 2 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 499 | 4 | 1 | 6 | 5.4 | O=C(O)C1CN(c2cc3c(cc2F)-c2noc(-c4onc(-c5ccccc5)c4C(F)(F)F)c2CC3)C1 | nan | ||
76332741 | 112519 | 0 | None | -147 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 508 | 10 | 3 | 8 | 3.9 | CCc1cc(-c2noc(-c3cc(C)nc(C4CCCCC4)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1021/jm4014696 | ||
CHEMBL3126586 | 112519 | 0 | None | -147 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 508 | 10 | 3 | 8 | 3.9 | CCc1cc(-c2noc(-c3cc(C)nc(C4CCCCC4)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1021/jm4014696 | ||
76321770 | 112212 | 0 | None | -6 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 468 | 8 | 1 | 6 | 6.4 | CCc1cc(-c2noc(-c3sc(CC)c4c3CCC(C)(C)C4)n2)cc(C)c1OC[C@@H](C)CO | 10.1021/jm401456d | ||
CHEMBL3120183 | 112212 | 0 | None | -6 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 468 | 8 | 1 | 6 | 6.4 | CCc1cc(-c2noc(-c3sc(CC)c4c3CCC(C)(C)C4)n2)cc(C)c1OC[C@@H](C)CO | 10.1021/jm401456d | ||
76336212 | 112310 | 0 | None | -9 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 499 | 8 | 3 | 8 | 3.8 | Cc1cc(-c2noc(-c3sc(C)c4c3CCC(C)(C)C4)n2)cc(C)c1OCC(O)CNC(=O)CO | 10.1021/jm401456d | ||
CHEMBL3121964 | 112310 | 0 | None | -9 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 499 | 8 | 3 | 8 | 3.8 | Cc1cc(-c2noc(-c3sc(C)c4c3CCC(C)(C)C4)n2)cc(C)c1OCC(O)CNC(=O)CO | 10.1021/jm401456d | ||
66829279 | 146372 | 0 | None | -117 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 502 | 12 | 3 | 9 | 2.9 | CCc1cc(-c2noc(-c3cc(C)c(CN(C)CC)s3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1016/j.ejmech.2016.03.048 | ||
CHEMBL3797412 | 146372 | 0 | None | -117 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 502 | 12 | 3 | 9 | 2.9 | CCc1cc(-c2noc(-c3cc(C)c(CN(C)CC)s3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1016/j.ejmech.2016.03.048 | ||
11603726 | 83605 | 0 | None | -6760 | 3 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 400 | 7 | 1 | 5 | 5.2 | Cc1cc(CCC(=O)O)ccc1-c1noc(-c2ccc(OC(C)C)c(Cl)c2)n1 | 10.1016/j.bmcl.2006.04.084 | ||
CHEMBL206940 | 83605 | 0 | None | -6760 | 3 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 400 | 7 | 1 | 5 | 5.2 | Cc1cc(CCC(=O)O)ccc1-c1noc(-c2ccc(OC(C)C)c(Cl)c2)n1 | 10.1016/j.bmcl.2006.04.084 | ||
57391920 | 76661 | 0 | None | -21 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 422 | 3 | 1 | 3 | 5.5 | Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(C(F)(F)F)c2)c(=O)c2ccccc21 | 10.1021/ml200252b | ||
CHEMBL1938937 | 76661 | 0 | None | -21 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 422 | 3 | 1 | 3 | 5.5 | Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(C(F)(F)F)c2)c(=O)c2ccccc21 | 10.1021/ml200252b | ||
57391920 | 76661 | 0 | None | -21 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 422 | 3 | 1 | 3 | 5.5 | Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(C(F)(F)F)c2)c(=O)c2ccccc21 | 10.1016/j.bmcl.2011.10.085 | ||
CHEMBL1938937 | 76661 | 0 | None | -21 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 422 | 3 | 1 | 3 | 5.5 | Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(C(F)(F)F)c2)c(=O)c2ccccc21 | 10.1016/j.bmcl.2011.10.085 | ||
57570498 | 94387 | 0 | None | -5011 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 476 | 10 | 2 | 4 | 6.3 | C/C(=N\OCc1ccc(C2CCCCC2)c(C(F)(F)F)c1)c1ccc(CNCCC(=O)O)cc1 | 10.1021/ml300396r | ||
CHEMBL2336086 | 94387 | 0 | None | -5011 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 476 | 10 | 2 | 4 | 6.3 | C/C(=N\OCc1ccc(C2CCCCC2)c(C(F)(F)F)c1)c1ccc(CNCCC(=O)O)cc1 | 10.1021/ml300396r | ||
127048143 | 146625 | 0 | None | -354 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 525 | 14 | 3 | 9 | 3.1 | CCCCN(C)Cc1cc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)cc(C)n1 | 10.1016/j.ejmech.2016.03.048 | ||
CHEMBL3799148 | 146625 | 0 | None | -354 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 525 | 14 | 3 | 9 | 3.1 | CCCCN(C)Cc1cc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)cc(C)n1 | 10.1016/j.ejmech.2016.03.048 | ||
127046566 | 146775 | 0 | None | -338 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 510 | 11 | 3 | 9 | 3.2 | CCc1cc(-c2noc(-c3cc(C4CCCC4)cc(OC)n3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1016/j.ejmech.2016.03.020 | ||
CHEMBL3799976 | 146775 | 0 | None | -338 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 510 | 11 | 3 | 9 | 3.2 | CCc1cc(-c2noc(-c3cc(C4CCCC4)cc(OC)n3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1016/j.ejmech.2016.03.020 | ||
53235479 | 157341 | 0 | None | -1737 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 475 | 6 | 1 | 6 | 4.8 | CC(C)Cc1onc(-c2onc3c2CCc2cc(CN4CC(C(=O)O)C4)ccc2-3)c1C(F)(F)F | nan | ||
CHEMBL3954922 | 157341 | 0 | None | -1737 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 475 | 6 | 1 | 6 | 4.8 | CC(C)Cc1onc(-c2onc3c2CCc2cc(CN4CC(C(=O)O)C4)ccc2-3)c1C(F)(F)F | nan | ||
44422590 | 92304 | 0 | None | -12 | 2 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 370 | 12 | 4 | 3 | 3.4 | CCCCCCCCc1ccc(NC(=O)[C@@H](N)CCP(=O)(O)O)cc1 | 10.1016/j.bmc.2006.10.060 | ||
CHEMBL227530 | 92304 | 0 | None | -12 | 2 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 370 | 12 | 4 | 3 | 3.4 | CCCCCCCCc1ccc(NC(=O)[C@@H](N)CCP(=O)(O)O)cc1 | 10.1016/j.bmc.2006.10.060 | ||
57397066 | 77687 | 0 | None | -199 | 2 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 475 | 8 | 1 | 7 | 5.9 | CC(C)c1cc(CN2CC(C(=O)O)C2)sc1-c1noc(-c2ccc(Oc3ccccc3)cc2)n1 | 10.1016/j.bmcl.2011.12.019 | ||
CHEMBL1951306 | 77687 | 0 | None | -199 | 2 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 475 | 8 | 1 | 7 | 5.9 | CC(C)c1cc(CN2CC(C(=O)O)C2)sc1-c1noc(-c2ccc(Oc3ccccc3)cc2)n1 | 10.1016/j.bmcl.2011.12.019 | ||
11978048 | 77692 | 0 | None | -3801 | 2 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 491 | 9 | 1 | 8 | 5.3 | CCc1cc(CN2CC(C(=O)O)C2)sc1-c1noc(-c2ccc(Oc3ccccc3OC)cc2)n1 | 10.1016/j.bmcl.2011.12.019 | ||
CHEMBL1951311 | 77692 | 0 | None | -3801 | 2 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 491 | 9 | 1 | 8 | 5.3 | CCc1cc(CN2CC(C(=O)O)C2)sc1-c1noc(-c2ccc(Oc3ccccc3OC)cc2)n1 | 10.1016/j.bmcl.2011.12.019 | ||
46881875 | 14102 | 0 | None | -7 | 4 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 371 | 13 | 3 | 3 | 4.3 | CCCCCCCOc1ccc(CC[C@](C)(N)CCP(=O)(O)O)cc1 | 10.1016/j.bmcl.2010.01.118 | ||
CHEMBL1086170 | 14102 | 0 | None | -7 | 4 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 371 | 13 | 3 | 3 | 4.3 | CCCCCCCOc1ccc(CC[C@](C)(N)CCP(=O)(O)O)cc1 | 10.1016/j.bmcl.2010.01.118 | ||
25031771 | 112512 | 0 | None | -5011 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 454 | 10 | 3 | 8 | 2.4 | CCc1cc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)cc(C)n1 | 10.1021/jm4014696 | ||
CHEMBL3126434 | 112512 | 0 | None | -5011 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 454 | 10 | 3 | 8 | 2.4 | CCc1cc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)cc(C)n1 | 10.1021/jm4014696 | ||
44218002 | 112543 | 0 | None | -776 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 482 | 11 | 3 | 8 | 3.0 | CCc1cc(-c2noc(-c3cc(C)c(CC(C)C)cn3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1021/jm4014696 | ||
CHEMBL3126611 | 112543 | 0 | None | -776 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 482 | 11 | 3 | 8 | 3.0 | CCc1cc(-c2noc(-c3cc(C)c(CC(C)C)cn3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1021/jm4014696 | ||
118716157 | 121670 | 0 | None | -23 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 412 | 12 | 4 | 6 | 2.8 | CCCCCc1nc(-c2ccc(CCC(N)(CO)COP(=O)(O)O)cc2)co1 | 10.1016/j.ejmech.2014.07.081 | ||
CHEMBL3341935 | 121670 | 0 | None | -23 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 412 | 12 | 4 | 6 | 2.8 | CCCCCc1nc(-c2ccc(CCC(N)(CO)COP(=O)(O)O)cc2)co1 | 10.1016/j.ejmech.2014.07.081 | ||
57396172 | 77447 | 0 | None | -512 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 433 | 7 | 2 | 5 | 4.8 | O=C(O)CNCc1ccc(-c2nc3ccc(C4(c5ccccc5)CC4)nc3s2)c(F)c1 | 10.1016/j.bmcl.2011.12.073 | ||
CHEMBL1950481 | 77447 | 0 | None | -512 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 433 | 7 | 2 | 5 | 4.8 | O=C(O)CNCc1ccc(-c2nc3ccc(C4(c5ccccc5)CC4)nc3s2)c(F)c1 | 10.1016/j.bmcl.2011.12.073 | ||
66655362 | 170398 | 0 | None | -79 | 3 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 423 | 8 | 1 | 4 | 4.6 | CCc1cccc(CC)c1COc1ccc2c(c1)OCC21CCN(CCC(=O)O)CC1 | 10.1016/j.bmcl.2017.12.018 | ||
CHEMBL4203755 | 170398 | 0 | None | -79 | 3 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 423 | 8 | 1 | 4 | 4.6 | CCc1cccc(CC)c1COc1ccc2c(c1)OCC21CCN(CCC(=O)O)CC1 | 10.1016/j.bmcl.2017.12.018 | ||
68082485 | 174299 | 0 | None | 1 | 3 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 395 | 8 | 1 | 4 | 3.9 | O=C(O)CCN1CCC2(CC1)COc1cc(OCCCc3ccccc3)ccc12 | 10.1016/j.bmcl.2017.12.018 | ||
CHEMBL4207162 | 174299 | 0 | None | 1 | 3 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 395 | 8 | 1 | 4 | 3.9 | O=C(O)CCN1CCC2(CC1)COc1cc(OCCCc3ccccc3)ccc12 | 10.1016/j.bmcl.2017.12.018 | ||
CHEMBL4300006 | 174299 | 0 | None | 1 | 3 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 395 | 8 | 1 | 4 | 3.9 | O=C(O)CCN1CCC2(CC1)COc1cc(OCCCc3ccccc3)ccc12 | 10.1016/j.bmcl.2017.12.018 | ||
70695743 | 79961 | 0 | None | -39810 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 516 | 9 | 1 | 6 | 6.1 | CCCCN(C(=O)c1ccc(C(F)(F)F)cc1)c1nnc(-c2cccc3c2ccn3CCC(=O)O)s1 | 10.1016/j.bmcl.2012.02.016 | ||
CHEMBL2011746 | 79961 | 0 | None | -39810 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 516 | 9 | 1 | 6 | 6.1 | CCCCN(C(=O)c1ccc(C(F)(F)F)cc1)c1nnc(-c2cccc3c2ccn3CCC(=O)O)s1 | 10.1016/j.bmcl.2012.02.016 | ||
24824717 | 127635 | 0 | None | -6 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 496 | 6 | 1 | 7 | 6.1 | O=C(O)c1cnn(Cc2ccc(-c3noc(-c4cc(-c5ccccc5)c(C(F)(F)F)s4)n3)cc2)c1 | 10.1021/jm5010336 | ||
CHEMBL3360358 | 127635 | 0 | None | -6 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 496 | 6 | 1 | 7 | 6.1 | O=C(O)c1cnn(Cc2ccc(-c3noc(-c4cc(-c5ccccc5)c(C(F)(F)F)s4)n3)cc2)c1 | 10.1021/jm5010336 | ||
CHEMBL3558705 | 127635 | 0 | None | -6 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 496 | 6 | 1 | 7 | 6.1 | O=C(O)c1cnn(Cc2ccc(-c3noc(-c4cc(-c5ccccc5)c(C(F)(F)F)s4)n3)cc2)c1 | 10.1021/jm5010336 | ||
54758399 | 72732 | 0 | None | -794 | 2 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 448 | 7 | 2 | 8 | 2.8 | CC(C)Oc1ccc(-c2nc(-c3ccc4c(c3)CCN(C(CO)CO)CC4)no2)cc1C#N | 10.1021/jm200609t | ||
CHEMBL1836172 | 72732 | 0 | None | -794 | 2 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 448 | 7 | 2 | 8 | 2.8 | CC(C)Oc1ccc(-c2nc(-c3ccc4c(c3)CCN(C(CO)CO)CC4)no2)cc1C#N | 10.1021/jm200609t | ||
44124898 | 123197 | 0 | None | -398 | 2 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 369 | 4 | 1 | 5 | 4.5 | CC(C)Oc1ccc(-c2nc(-c3cccc4c3CCNC4)no2)cc1Cl | 10.1021/jm5010336 | ||
CHEMBL3360365 | 123197 | 0 | None | -398 | 2 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 369 | 4 | 1 | 5 | 4.5 | CC(C)Oc1ccc(-c2nc(-c3cccc4c3CCNC4)no2)cc1Cl | 10.1021/jm5010336 | ||
44129142 | 123199 | 0 | None | -125 | 2 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 385 | 4 | 1 | 6 | 4.3 | CC(C)Oc1ccc(-c2nc(-c3ccc4c(c3)CNCCO4)no2)cc1Cl | 10.1021/jm5010336 | ||
CHEMBL3360367 | 123199 | 0 | None | -125 | 2 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 385 | 4 | 1 | 6 | 4.3 | CC(C)Oc1ccc(-c2nc(-c3ccc4c(c3)CNCCO4)no2)cc1Cl | 10.1021/jm5010336 | ||
11222939 | 74349 | 9 | None | -4 | 4 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(CC[C@@](N)(CO)COP(=O)(O)O)cc1 | 10.1016/j.bmcl.2010.02.006 | ||
44438254 | 74349 | 9 | None | -4 | 4 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(CC[C@@](N)(CO)COP(=O)(O)O)cc1 | 10.1016/j.bmcl.2010.02.006 | ||
CHEMBL190006 | 74349 | 9 | None | -4 | 4 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(CC[C@@](N)(CO)COP(=O)(O)O)cc1 | 10.1016/j.bmcl.2010.02.006 | ||
44591249 | 187415 | 0 | None | -7 | 4 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 402 | 13 | 4 | 5 | 3.2 | CCCCCCCCOc1ccc(NC(=O)[C@@](C)(N)COP(=O)(O)O)cc1 | 10.1016/j.bmcl.2008.11.072 | ||
CHEMBL475495 | 187415 | 0 | None | -7 | 4 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 402 | 13 | 4 | 5 | 3.2 | CCCCCCCCOc1ccc(NC(=O)[C@@](C)(N)COP(=O)(O)O)cc1 | 10.1016/j.bmcl.2008.11.072 | ||
44412882 | 84063 | 0 | None | -316 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 390 | 6 | 1 | 4 | 5.8 | Cc1cc(CCC(=O)O)ccc1-c1noc(-c2ccc(C3CCCCC3)cc2)n1 | 10.1016/j.bmcl.2006.04.084 | ||
CHEMBL208168 | 84063 | 0 | None | -316 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 390 | 6 | 1 | 4 | 5.8 | Cc1cc(CCC(=O)O)ccc1-c1noc(-c2ccc(C3CCCCC3)cc2)n1 | 10.1016/j.bmcl.2006.04.084 | ||
11626664 | 84703 | 0 | None | -1584 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 455 | 7 | 1 | 6 | 5.1 | Cc1cc(CCC(=O)O)ccc1-c1noc(-c2cnc(OC(C)C(F)(F)F)c(Cl)c2)n1 | 10.1016/j.bmcl.2006.04.084 | ||
CHEMBL209484 | 84703 | 0 | None | -1584 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 455 | 7 | 1 | 6 | 5.1 | Cc1cc(CCC(=O)O)ccc1-c1noc(-c2cnc(OC(C)C(F)(F)F)c(Cl)c2)n1 | 10.1016/j.bmcl.2006.04.084 | ||
16038017 | 146196 | 0 | None | -14454 | 3 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 431 | 7 | 1 | 6 | 4.5 | Cc1cc(CCC(=O)O)ccc1-c1noc(-c2ccc(OCC(F)(F)F)c(C#N)c2)n1 | 10.1016/j.bmcl.2006.04.084 | ||
CHEMBL379380 | 146196 | 0 | None | -14454 | 3 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 431 | 7 | 1 | 6 | 4.5 | Cc1cc(CCC(=O)O)ccc1-c1noc(-c2ccc(OCC(F)(F)F)c(C#N)c2)n1 | 10.1016/j.bmcl.2006.04.084 | ||
10174255 | 91992 | 0 | None | -158 | 4 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 485 | 6 | 1 | 6 | 5.7 | O=C(O)C1CN(Cc2ccc(-c3noc(-c4cc(-c5ccccc5)c(C(F)(F)F)s4)n3)cc2)C1 | 10.1016/j.bmcl.2011.12.019 | ||
CHEMBL225575 | 91992 | 0 | None | -158 | 4 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 485 | 6 | 1 | 6 | 5.7 | O=C(O)C1CN(Cc2ccc(-c3noc(-c4cc(-c5ccccc5)c(C(F)(F)F)s4)n3)cc2)C1 | 10.1016/j.bmcl.2011.12.019 | ||
70681815 | 82052 | 0 | None | -8 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 480 | 5 | 2 | 4 | 5.1 | Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(C(F)(F)F)c2)c(=O)c2ccc(CC(=O)O)cc21 | 10.1021/ml200252b | ||
CHEMBL2037127 | 82052 | 0 | None | -8 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 480 | 5 | 2 | 4 | 5.1 | Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(C(F)(F)F)c2)c(=O)c2ccc(CC(=O)O)cc21 | 10.1021/ml200252b | ||
46835922 | 146233 | 13 | None | -4466 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 470 | 6 | 1 | 7 | 4.6 | O=C(O)C1CN(Cc2ccc(-c3noc(-c4onc(-c5ccccc5)c4C(F)(F)F)n3)cc2)C1 | 10.1021/acs.jmedchem.6b00089 | ||
CHEMBL3794064 | 146233 | 13 | None | -4466 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 470 | 6 | 1 | 7 | 4.6 | O=C(O)C1CN(Cc2ccc(-c3noc(-c4onc(-c5ccccc5)c4C(F)(F)F)n3)cc2)C1 | 10.1021/acs.jmedchem.6b00089 | ||
57570459 | 94386 | 0 | None | -2630 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 462 | 10 | 2 | 4 | 5.9 | C/C(=N\OCc1ccc(C2CCCC2)c(C(F)(F)F)c1)c1ccc(CNCCC(=O)O)cc1 | 10.1021/ml300396r | ||
CHEMBL2336085 | 94386 | 0 | None | -2630 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 462 | 10 | 2 | 4 | 5.9 | C/C(=N\OCc1ccc(C2CCCC2)c(C(F)(F)F)c1)c1ccc(CNCCC(=O)O)cc1 | 10.1021/ml300396r | ||
127046183 | 146854 | 0 | None | -56 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 518 | 11 | 3 | 9 | 3.2 | CCc1cc(-c2noc(-c3cc(OC)nc(-c4ccccc4)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1016/j.ejmech.2016.03.020 | ||
CHEMBL3800496 | 146854 | 0 | None | -56 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 518 | 11 | 3 | 9 | 3.2 | CCc1cc(-c2noc(-c3cc(OC)nc(-c4ccccc4)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1016/j.ejmech.2016.03.020 | ||
56949019 | 152773 | 0 | None | -79 | 2 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 392 | 7 | 0 | 5 | 5.6 | COc1ccc(OC)c(-c2noc(CCC3(c4ccccc4)CCCCC3)n2)c1 | nan | ||
CHEMBL3918461 | 152773 | 0 | None | -79 | 2 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 392 | 7 | 0 | 5 | 5.6 | COc1ccc(OC)c(-c2noc(CCC3(c4ccccc4)CCCCC3)n2)c1 | nan | ||
69144915 | 111213 | 0 | None | -107 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 370 | 7 | 1 | 4 | 4.5 | Cc1sc(C(=O)CCc2ccc(OCCO)cc2)c2c1[C@H]1[C@@H](C2)C1(C)C | 10.1021/jm4014373 | ||
CHEMBL3103661 | 111213 | 0 | None | -107 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 370 | 7 | 1 | 4 | 4.5 | Cc1sc(C(=O)CCc2ccc(OCCO)cc2)c2c1[C@H]1[C@@H](C2)C1(C)C | 10.1021/jm4014373 | ||
46236274 | 15331 | 0 | None | -2 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 338 | 3 | 1 | 4 | 4.1 | CC(C)/N=C1\S/C(=C\c2ccc(O)c(Cl)c2)C(=O)N1C(C)C | 10.1021/jm100181s | ||
CHEMBL1094501 | 15331 | 0 | None | -2 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 338 | 3 | 1 | 4 | 4.1 | CC(C)/N=C1\S/C(=C\c2ccc(O)c(Cl)c2)C(=O)N1C(C)C | 10.1021/jm100181s | ||
67172159 | 149657 | 0 | None | -1174 | 2 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 497 | 6 | 2 | 6 | 5.5 | CC(N)(CCc1ccc2c(c1)CCc1c-2noc1-c1noc(-c2ccccc2)c1C(F)(F)F)C(=O)O | nan | ||
CHEMBL3893505 | 149657 | 0 | None | -1174 | 2 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 497 | 6 | 2 | 6 | 5.5 | CC(N)(CCc1ccc2c(c1)CCc1c-2noc1-c1noc(-c2ccccc2)c1C(F)(F)F)C(=O)O | nan | ||
46236930 | 15749 | 0 | None | -1 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 365 | 4 | 0 | 4 | 4.6 | CC(C)/N=C1\S/C(=C\c2ccc(N(C)C)cc2)C(=O)N1c1ccccc1 | 10.1021/jm100181s | ||
CHEMBL1098203 | 15749 | 0 | None | -1 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 365 | 4 | 0 | 4 | 4.6 | CC(C)/N=C1\S/C(=C\c2ccc(N(C)C)cc2)C(=O)N1c1ccccc1 | 10.1021/jm100181s | ||
10174255 | 91992 | 0 | None | -158 | 4 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 485 | 6 | 1 | 6 | 5.7 | O=C(O)C1CN(Cc2ccc(-c3noc(-c4cc(-c5ccccc5)c(C(F)(F)F)s4)n3)cc2)C1 | 10.1021/jm0492507 | ||
CHEMBL225575 | 91992 | 0 | None | -158 | 4 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 485 | 6 | 1 | 6 | 5.7 | O=C(O)C1CN(Cc2ccc(-c3noc(-c4cc(-c5ccccc5)c(C(F)(F)F)s4)n3)cc2)C1 | 10.1021/jm0492507 | ||
127046550 | 146641 | 0 | None | -11 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 510 | 11 | 3 | 9 | 3.2 | CCc1cc(-c2noc(-c3cnc(OC)c(C4CCCC4)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1016/j.ejmech.2016.03.020 | ||
CHEMBL3799227 | 146641 | 0 | None | -11 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 510 | 11 | 3 | 9 | 3.2 | CCc1cc(-c2noc(-c3cnc(OC)c(C4CCCC4)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1016/j.ejmech.2016.03.020 | ||
127048099 | 146359 | 0 | None | -602 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 518 | 13 | 4 | 10 | 1.9 | CCc1cc(-c2noc(-c3cc(C)c(CN(C)CCO)s3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1016/j.ejmech.2016.03.048 | ||
CHEMBL3797357 | 146359 | 0 | None | -602 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 518 | 13 | 4 | 10 | 1.9 | CCc1cc(-c2noc(-c3cc(C)c(CN(C)CCO)s3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1016/j.ejmech.2016.03.048 | ||
56948899 | 155292 | 0 | None | 1 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 392 | 7 | 0 | 5 | 5.6 | COc1cc(OC)cc(-c2noc(CCC3(c4ccccc4)CCCCC3)n2)c1 | nan | ||
CHEMBL3938390 | 155292 | 0 | None | 1 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 392 | 7 | 0 | 5 | 5.6 | COc1cc(OC)cc(-c2noc(CCC3(c4ccccc4)CCCCC3)n2)c1 | nan | ||
24851764 | 112559 | 0 | None | -295 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 468 | 11 | 3 | 8 | 2.7 | CCc1cc(-c2noc(-c3ccc(CC(C)C)nc3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1021/jm4014696 | ||
CHEMBL3126627 | 112559 | 0 | None | -295 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 468 | 11 | 3 | 8 | 2.7 | CCc1cc(-c2noc(-c3ccc(CC(C)C)nc3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1021/jm4014696 | ||
76322127 | 112869 | 0 | None | -6 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 491 | 11 | 4 | 5 | 4.5 | NC(CO)(CCc1ccc(Oc2ccc(Cc3ccc(Cl)cc3)cc2)cc1)COP(=O)(O)O | 10.1039/C3MD00079F | ||
CHEMBL3133705 | 112869 | 0 | None | -6 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 491 | 11 | 4 | 5 | 4.5 | NC(CO)(CCc1ccc(Oc2ccc(Cc3ccc(Cl)cc3)cc2)cc1)COP(=O)(O)O | 10.1039/C3MD00079F | ||
76321769 | 112311 | 0 | None | -26 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 501 | 11 | 3 | 8 | 4.0 | CCc1c(-c2nc(-c3cc(C)c(OCC(O)CNC(=O)CO)c(C)c3)no2)sc(C)c1CC(C)C | 10.1021/jm401456d | ||
CHEMBL3121965 | 112311 | 0 | None | -26 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 501 | 11 | 3 | 8 | 4.0 | CCc1c(-c2nc(-c3cc(C)c(OCC(O)CNC(=O)CO)c(C)c3)no2)sc(C)c1CC(C)C | 10.1021/jm401456d | ||
76318058 | 112330 | 0 | None | -194 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 499 | 10 | 3 | 8 | 3.6 | CCc1cc(-c2noc(-c3sc(CC)c4c3CCCC4)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1021/jm401456d | ||
CHEMBL3121985 | 112330 | 0 | None | -194 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 499 | 10 | 3 | 8 | 3.6 | CCc1cc(-c2noc(-c3sc(CC)c4c3CCCC4)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1021/jm401456d | ||
16737679 | 64136 | 0 | None | -70 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 415 | 6 | 1 | 3 | 5.3 | O=C(O)C1CN(Cc2ccc(-c3cc4cc(Cc5ccccc5)ccc4o3)c(F)c2)C1 | 10.1021/ml100228m | ||
CHEMBL1651717 | 64136 | 0 | None | -70 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 415 | 6 | 1 | 3 | 5.3 | O=C(O)C1CN(Cc2ccc(-c3cc4cc(Cc5ccccc5)ccc4o3)c(F)c2)C1 | 10.1021/ml100228m | ||
76329327 | 112788 | 0 | None | -10 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 485 | 12 | 4 | 5 | 4.4 | CCc1ccc(Cc2ccc(Oc3ccc(CCC(N)(CO)COP(=O)(O)O)cc3)cc2)cc1 | 10.1039/C3MD00079F | ||
CHEMBL3132870 | 112788 | 0 | None | -10 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 485 | 12 | 4 | 5 | 4.4 | CCc1ccc(Cc2ccc(Oc3ccc(CCC(N)(CO)COP(=O)(O)O)cc3)cc2)cc1 | 10.1039/C3MD00079F | ||
46237180 | 15636 | 1 | None | -14 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 460 | 8 | 2 | 6 | 4.3 | CCC/N=C1\S/C(=C\c2ccc(OCC(O)CO)c(Cl)c2)C(=O)N1c1ccccc1C | 10.1021/jm100181s | ||
CHEMBL1097184 | 15636 | 1 | None | -14 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 460 | 8 | 2 | 6 | 4.3 | CCC/N=C1\S/C(=C\c2ccc(OCC(O)CO)c(Cl)c2)C(=O)N1c1ccccc1C | 10.1021/jm100181s | ||
11852234 | 112336 | 0 | None | -407 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 513 | 10 | 2 | 6 | 4.8 | Cc1cc(CCC(=O)c2sc(C)c3c2CCC(C)(C)C3)cc(C)c1OCC(O)CN1CC(C(=O)O)C1 | 10.1021/jm401456d | ||
CHEMBL3121991 | 112336 | 0 | None | -407 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 513 | 10 | 2 | 6 | 4.8 | Cc1cc(CCC(=O)c2sc(C)c3c2CCC(C)(C)C3)cc(C)c1OCC(O)CN1CC(C(=O)O)C1 | 10.1021/jm401456d | ||
44218903 | 112542 | 0 | None | -63 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 509 | 11 | 3 | 9 | 2.7 | CCc1cc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)cnc1N1CCCC1 | 10.1021/jm4014696 | ||
CHEMBL3126610 | 112542 | 0 | None | -63 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 509 | 11 | 3 | 9 | 2.7 | CCc1cc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)cnc1N1CCCC1 | 10.1021/jm4014696 | ||
76318199 | 112561 | 0 | None | -389 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 454 | 11 | 3 | 8 | 2.5 | CCCc1ccc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)cn1 | 10.1021/jm4014696 | ||
CHEMBL3126629 | 112561 | 0 | None | -389 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 454 | 11 | 3 | 8 | 2.5 | CCCc1ccc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)cn1 | 10.1021/jm4014696 | ||
76311230 | 112849 | 0 | None | -26 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 441 | 12 | 4 | 5 | 3.7 | CCCCc1ccc(Oc2ccc(CCC(N)(CO)COP(=O)(O)O)cc2F)cc1 | 10.1039/C3MD00079F | ||
CHEMBL3133598 | 112849 | 0 | None | -26 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 441 | 12 | 4 | 5 | 3.7 | CCCCc1ccc(Oc2ccc(CCC(N)(CO)COP(=O)(O)O)cc2F)cc1 | 10.1039/C3MD00079F | ||
46236399 | 15333 | 0 | None | -1 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 378 | 3 | 1 | 4 | 5.1 | CC(C)/N=C1\S/C(=C\c2ccc(O)c(Cl)c2)C(=O)N1C1CCCCC1 | 10.1021/jm100181s | ||
CHEMBL1094503 | 15333 | 0 | None | -1 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 378 | 3 | 1 | 4 | 5.1 | CC(C)/N=C1\S/C(=C\c2ccc(O)c(Cl)c2)C(=O)N1C1CCCCC1 | 10.1021/jm100181s | ||
25192001 | 14831 | 0 | None | -2 | 4 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 413 | 12 | 4 | 4 | 3.5 | CCCCCCCCc1ccc2c(c1)CC[C@@H](C(N)(CO)COP(=O)(O)O)C2 | 10.1016/j.bmcl.2010.02.006 | ||
CHEMBL1091103 | 14831 | 0 | None | -2 | 4 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 413 | 12 | 4 | 4 | 3.5 | CCCCCCCCc1ccc2c(c1)CC[C@@H](C(N)(CO)COP(=O)(O)O)C2 | 10.1016/j.bmcl.2010.02.006 | ||
118707193 | 119817 | 0 | None | -58 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 449 | 12 | 3 | 5 | 3.9 | Cc1ccc(CCCC(=O)c2ccc(COC[C@@](C)(N)COP(=O)(O)O)c(C)c2)cc1 | 10.1016/j.bmc.2014.05.035 | ||
CHEMBL3311348 | 119817 | 0 | None | -58 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 449 | 12 | 3 | 5 | 3.9 | Cc1ccc(CCCC(=O)c2ccc(COC[C@@](C)(N)COP(=O)(O)O)c(C)c2)cc1 | 10.1016/j.bmc.2014.05.035 | ||
127046400 | 146388 | 0 | None | -162 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 512 | 13 | 3 | 9 | 3.4 | CCc1cc(-c2noc(-c3cc(C(CC)CC)cc(OC)n3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1016/j.ejmech.2016.03.020 | ||
CHEMBL3797486 | 146388 | 0 | None | -162 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 512 | 13 | 3 | 9 | 3.4 | CCc1cc(-c2noc(-c3cc(C(CC)CC)cc(OC)n3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1016/j.ejmech.2016.03.020 | ||
53322738 | 64778 | 0 | None | -22 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 446 | 6 | 1 | 4 | 5.5 | Cc1ccc(Cc2ccc3sc(-c4ccc(CN5CC(C(=O)O)C5)cc4F)nc3c2)cc1 | 10.1021/ml100228m | ||
CHEMBL1672566 | 64778 | 0 | None | -22 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 446 | 6 | 1 | 4 | 5.5 | Cc1ccc(Cc2ccc3sc(-c4ccc(CN5CC(C(=O)O)C5)cc4F)nc3c2)cc1 | 10.1021/ml100228m | ||
46846921 | 146578 | 0 | None | -549 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 442 | 7 | 1 | 7 | 4.5 | O=C(O)C1CN(Cc2ccc(-c3noc(-c4noc(-c5ccccc5)c4C4CC4)n3)cc2)C1 | 10.1021/acs.jmedchem.6b00089 | ||
CHEMBL3798775 | 146578 | 0 | None | -549 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 442 | 7 | 1 | 7 | 4.5 | O=C(O)C1CN(Cc2ccc(-c3noc(-c4noc(-c5ccccc5)c4C4CC4)n3)cc2)C1 | 10.1021/acs.jmedchem.6b00089 | ||
58907649 | 93344 | 0 | None | -27 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 336 | 12 | 3 | 4 | 3.2 | CCCCCCCCOc1ccc(NC(=O)[C@@H](N)CC(=O)O)cc1 | 10.1016/j.bmcl.2012.11.053 | ||
CHEMBL2315814 | 93344 | 0 | None | -27 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 336 | 12 | 3 | 4 | 3.2 | CCCCCCCCOc1ccc(NC(=O)[C@@H](N)CC(=O)O)cc1 | 10.1016/j.bmcl.2012.11.053 | ||
11697277 | 111179 | 0 | None | -380 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 412 | 8 | 1 | 4 | 5.5 | Cc1cc(CCC(=O)c2sc(C)c3c2C[C@@H]2[C@H]3C2(C)C)cc(C)c1OCCCO | 10.1021/jm4014373 | ||
CHEMBL3102992 | 111179 | 0 | None | -380 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 412 | 8 | 1 | 4 | 5.5 | Cc1cc(CCC(=O)c2sc(C)c3c2C[C@@H]2[C@H]3C2(C)C)cc(C)c1OCCCO | 10.1021/jm4014373 | ||
46236666 | 15561 | 0 | None | 5 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 400 | 5 | 1 | 4 | 5.0 | CC(C)/N=C1\S/C(=C\c2ccc(O)c(Cl)c2)C(=O)N1CCc1ccccc1 | 10.1021/jm100181s | ||
CHEMBL1096541 | 15561 | 0 | None | 5 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 400 | 5 | 1 | 4 | 5.0 | CC(C)/N=C1\S/C(=C\c2ccc(O)c(Cl)c2)C(=O)N1CCc1ccccc1 | 10.1021/jm100181s | ||
76322117 | 112860 | 0 | None | 1 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 449 | 13 | 4 | 4 | 4.1 | CC(C)c1ccc(CCCCc2ccc(CCC(N)(CO)COP(=O)(O)O)cc2)cc1 | 10.1039/C3MD00079F | ||
CHEMBL3133608 | 112860 | 0 | None | 1 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 449 | 13 | 4 | 4 | 4.1 | CC(C)c1ccc(CCCCc2ccc(CCC(N)(CO)COP(=O)(O)O)cc2)cc1 | 10.1039/C3MD00079F | ||
11496072 | 152802 | 0 | None | -1513 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 448 | 7 | 1 | 5 | 6.1 | Cc1cc(C(C)CC(=O)O)ccc1-c1noc(-c2ccc(OC(C)C)c(C(F)(F)F)c2)n1 | 10.1016/j.bmcl.2006.10.057 | ||
CHEMBL391869 | 152802 | 0 | None | -1513 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 448 | 7 | 1 | 5 | 6.1 | Cc1cc(C(C)CC(=O)O)ccc1-c1noc(-c2ccc(OC(C)C)c(C(F)(F)F)c2)n1 | 10.1016/j.bmcl.2006.10.057 | ||
59202022 | 112318 | 0 | None | -436 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 431 | 9 | 3 | 8 | 2.5 | CCc1ccc(-c2nc(-c3cc(C)c(OCC(O)CNC(=O)CO)c(C)c3)no2)s1 | 10.1021/jm401456d | ||
CHEMBL3121972 | 112318 | 0 | None | -436 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 431 | 9 | 3 | 8 | 2.5 | CCc1ccc(-c2nc(-c3cc(C)c(OCC(O)CNC(=O)CO)c(C)c3)no2)s1 | 10.1021/jm401456d | ||
24956674 | 15629 | 0 | None | -2 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 372 | 4 | 1 | 4 | 4.9 | CCC/N=C1\S/C(=C\c2ccc(O)c(Cl)c2)C(=O)N1c1ccccc1 | 10.1021/jm100181s | ||
CHEMBL1097103 | 15629 | 0 | None | -2 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 372 | 4 | 1 | 4 | 4.9 | CCC/N=C1\S/C(=C\c2ccc(O)c(Cl)c2)C(=O)N1c1ccccc1 | 10.1021/jm100181s | ||
72793810 | 111468 | 0 | None | -28 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 440 | 6 | 2 | 7 | 4.4 | Cc1cc(-c2nc(-c3sc(C)c4c3C[C@@H]3[C@H]4C3(C)C)no2)cc(C)c1OC[C@@H](O)CO | 10.1021/jm4014373 | ||
CHEMBL3105248 | 111468 | 0 | None | -28 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 440 | 6 | 2 | 7 | 4.4 | Cc1cc(-c2nc(-c3sc(C)c4c3C[C@@H]3[C@H]4C3(C)C)no2)cc(C)c1OC[C@@H](O)CO | 10.1021/jm4014373 | ||
44406749 | 81811 | 0 | None | -1 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 565 | 18 | 4 | 10 | 4.7 | C[C@@](N)(CCc1ccc(OCCCCCCCCNc2ccc([N+](=O)[O-])c3nonc23)cc1)COP(=O)(O)O | 10.1016/j.bmcl.2005.09.038 | ||
CHEMBL203475 | 81811 | 0 | None | -1 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 565 | 18 | 4 | 10 | 4.7 | C[C@@](N)(CCc1ccc(OCCCCCCCCNc2ccc([N+](=O)[O-])c3nonc23)cc1)COP(=O)(O)O | 10.1016/j.bmcl.2005.09.038 | ||
134319702 | 173344 | 0 | None | -190 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 496 | 11 | 3 | 7 | 4.2 | CCCCOCCOc1nc2c(s1)-c1ccc([C@H]3CC[C@](N)(COP(=O)(O)O)C3)cc1CC2 | 10.1039/C6MD00539J | ||
CHEMBL4279752 | 173344 | 0 | None | -190 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 496 | 11 | 3 | 7 | 4.2 | CCCCOCCOc1nc2c(s1)-c1ccc([C@H]3CC[C@](N)(COP(=O)(O)O)C3)cc1CC2 | 10.1039/C6MD00539J | ||
127046741 | 146780 | 0 | None | -190 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 510 | 11 | 3 | 9 | 3.1 | CCc1cc(-c2noc(-c3cc(C)nc(OC4CCCC4)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1016/j.ejmech.2016.03.020 | ||
CHEMBL3800019 | 146780 | 0 | None | -190 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 510 | 11 | 3 | 9 | 3.1 | CCc1cc(-c2noc(-c3cc(C)nc(OC4CCCC4)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1016/j.ejmech.2016.03.020 | ||
23121374 | 65220 | 0 | None | -57 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 353 | 11 | 2 | 3 | 4.2 | C/C(=C\c1ccc(OCCCc2ccccc2)cc1)CNCCC(=O)O | 10.1016/j.bmcl.2011.01.029 | ||
CHEMBL1683046 | 65220 | 0 | None | -57 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 353 | 11 | 2 | 3 | 4.2 | C/C(=C\c1ccc(OCCCc2ccccc2)cc1)CNCCC(=O)O | 10.1016/j.bmcl.2011.01.029 | ||
46846904 | 146569 | 0 | None | -3548 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 466 | 7 | 1 | 7 | 4.7 | CC(F)(F)c1c(-c2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3)no2)noc1-c1ccccc1 | 10.1021/acs.jmedchem.6b00089 | ||
CHEMBL3798735 | 146569 | 0 | None | -3548 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 466 | 7 | 1 | 7 | 4.7 | CC(F)(F)c1c(-c2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3)no2)noc1-c1ccccc1 | 10.1021/acs.jmedchem.6b00089 | ||
57570463 | 94367 | 0 | None | -3162 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 510 | 10 | 2 | 4 | 6.9 | C/C(=N\OCc1ccc(C2CCCCC2)c(C(F)(F)F)c1)c1ccc(CNCCC(=O)O)c(Cl)c1 | 10.1021/ml300396r | ||
CHEMBL2336065 | 94367 | 0 | None | -3162 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 510 | 10 | 2 | 4 | 6.9 | C/C(=N\OCc1ccc(C2CCCCC2)c(C(F)(F)F)c1)c1ccc(CNCCC(=O)O)c(Cl)c1 | 10.1021/ml300396r | ||
16737504 | 64122 | 0 | None | -7 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 363 | 6 | 1 | 3 | 4.8 | CC(C)Cc1ccc2oc(-c3ccc(CN4CC(C(=O)O)C4)cc3)cc2c1 | 10.1021/ml100227q | ||
CHEMBL1651704 | 64122 | 0 | None | -7 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 363 | 6 | 1 | 3 | 4.8 | CC(C)Cc1ccc2oc(-c3ccc(CN4CC(C(=O)O)C4)cc3)cc2c1 | 10.1021/ml100227q | ||
118716183 | 121680 | 0 | None | -36 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 446 | 10 | 4 | 7 | 2.2 | CCc1ccc(-n2cc(-c3ccc(CCC(N)(CO)COP(=O)(O)O)cc3)nn2)cc1 | 10.1016/j.ejmech.2014.07.081 | ||
CHEMBL3342008 | 121680 | 0 | None | -36 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 446 | 10 | 4 | 7 | 2.2 | CCc1ccc(-n2cc(-c3ccc(CCC(N)(CO)COP(=O)(O)O)cc3)nn2)cc1 | 10.1016/j.ejmech.2014.07.081 | ||
53326641 | 64772 | 0 | None | -57 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 450 | 6 | 1 | 4 | 5.3 | O=C(O)C1CN(Cc2ccc(-c3nc4cc(Cc5ccc(F)cc5)ccc4s3)c(F)c2)C1 | 10.1021/ml100228m | ||
CHEMBL1672560 | 64772 | 0 | None | -57 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 450 | 6 | 1 | 4 | 5.3 | O=C(O)C1CN(Cc2ccc(-c3nc4cc(Cc5ccc(F)cc5)ccc4s3)c(F)c2)C1 | 10.1021/ml100228m | ||
118716138 | 121649 | 0 | None | -20 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 412 | 12 | 4 | 7 | 1.9 | CCCCCn1cc(-c2ccc(CCC(N)(CO)COP(=O)(O)O)cc2)nn1 | 10.1016/j.ejmech.2014.07.081 | ||
CHEMBL3341916 | 121649 | 0 | None | -20 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 412 | 12 | 4 | 7 | 1.9 | CCCCCn1cc(-c2ccc(CCC(N)(CO)COP(=O)(O)O)cc2)nn1 | 10.1016/j.ejmech.2014.07.081 | ||
70681687 | 81750 | 0 | None | -6309 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 454 | 8 | 2 | 4 | 5.8 | O=C(O)CCNCCc1ccc2oc(-c3ccc(-c4ccccc4)c(C(F)(F)F)c3)nc2c1 | 10.1016/j.bmcl.2012.04.095 | ||
CHEMBL2032430 | 81750 | 0 | None | -6309 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 454 | 8 | 2 | 4 | 5.8 | O=C(O)CCNCCc1ccc2oc(-c3ccc(-c4ccccc4)c(C(F)(F)F)c3)nc2c1 | 10.1016/j.bmcl.2012.04.095 | ||
25182782 | 14399 | 0 | None | -691 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 431 | 7 | 2 | 6 | 3.2 | CCCN(c1cc(C(=O)Nc2ccc(S(N)(=O)=O)cc2C)ncn1)C1CCCCC1 | nan | ||
CHEMBL1088178 | 14399 | 0 | None | -691 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 431 | 7 | 2 | 6 | 3.2 | CCCN(c1cc(C(=O)Nc2ccc(S(N)(=O)=O)cc2C)ncn1)C1CCCCC1 | nan | ||
145947403 | 174447 | 0 | None | -125 | 3 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 443 | 8 | 1 | 4 | 5.1 | CCCc1cccc(Cl)c1COc1ccc2c(c1)OCC21CCN(CCC(=O)O)CC1 | 10.1016/j.bmcl.2017.12.018 | ||
CHEMBL4205878 | 174447 | 0 | None | -125 | 3 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 443 | 8 | 1 | 4 | 5.1 | CCCc1cccc(Cl)c1COc1ccc2c(c1)OCC21CCN(CCC(=O)O)CC1 | 10.1016/j.bmcl.2017.12.018 | ||
CHEMBL4301965 | 174447 | 0 | None | -125 | 3 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 443 | 8 | 1 | 4 | 5.1 | CCCc1cccc(Cl)c1COc1ccc2c(c1)OCC21CCN(CCC(=O)O)CC1 | 10.1016/j.bmcl.2017.12.018 | ||
44129144 | 123163 | 0 | None | -15 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 457 | 7 | 1 | 7 | 4.5 | CC(C)Oc1ccc(-c2nc(-c3ccc4c(c3)CN(CCC(=O)O)CCO4)no2)cc1Cl | 10.1021/jm5010336 | ||
CHEMBL3359839 | 123163 | 0 | None | -15 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 457 | 7 | 1 | 7 | 4.5 | CC(C)Oc1ccc(-c2nc(-c3ccc4c(c3)CN(CCC(=O)O)CCO4)no2)cc1Cl | 10.1021/jm5010336 | ||
44128909 | 123169 | 0 | None | -501 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 432 | 6 | 1 | 7 | 3.5 | CC(C)Oc1ccc(-c2nc(-c3ccc4c(c3)CCN(CC(=O)O)CC4)no2)cc1C#N | 10.1021/jm5010336 | ||
CHEMBL3359845 | 123169 | 0 | None | -501 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 432 | 6 | 1 | 7 | 3.5 | CC(C)Oc1ccc(-c2nc(-c3ccc4c(c3)CCN(CC(=O)O)CC4)no2)cc1C#N | 10.1021/jm5010336 | ||
44125470 | 123209 | 0 | None | -3 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 441 | 8 | 1 | 6 | 5.0 | CC(C)Oc1ccc(-c2nc(-c3cccc4c3CN(CCCC(=O)O)C4)no2)cc1Cl | 10.1021/jm5010336 | ||
CHEMBL3360377 | 123209 | 0 | None | -3 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 441 | 8 | 1 | 6 | 5.0 | CC(C)Oc1ccc(-c2nc(-c3cccc4c3CN(CCCC(=O)O)C4)no2)cc1Cl | 10.1021/jm5010336 | ||
70692257 | 81753 | 0 | None | -1995 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 480 | 5 | 1 | 4 | 6.4 | O=C(O)CN1CCC(c2ccc3oc(-c4ccc(-c5ccccc5)c(C(F)(F)F)c4)nc3c2)CC1 | 10.1016/j.bmcl.2012.04.095 | ||
CHEMBL2032433 | 81753 | 0 | None | -1995 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 480 | 5 | 1 | 4 | 6.4 | O=C(O)CN1CCC(c2ccc3oc(-c4ccc(-c5ccccc5)c(C(F)(F)F)c4)nc3c2)CC1 | 10.1016/j.bmcl.2012.04.095 | ||
70692258 | 81755 | 0 | None | -5011 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 481 | 5 | 1 | 5 | 5.4 | O=C(O)CN1CCN(c2ccc3oc(-c4ccc(-c5ccccc5)c(C(F)(F)F)c4)nc3c2)CC1 | 10.1016/j.bmcl.2012.04.095 | ||
CHEMBL2032435 | 81755 | 0 | None | -5011 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 481 | 5 | 1 | 5 | 5.4 | O=C(O)CN1CCN(c2ccc3oc(-c4ccc(-c5ccccc5)c(C(F)(F)F)c4)nc3c2)CC1 | 10.1016/j.bmcl.2012.04.095 | ||
70696411 | 81758 | 0 | None | -3981 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 508 | 7 | 1 | 4 | 6.9 | O=C(O)C1CCCN(CCCc2ccc3oc(-c4ccc(-c5ccccc5)c(C(F)(F)F)c4)nc3c2)C1 | 10.1016/j.bmcl.2012.04.095 | ||
CHEMBL2032438 | 81758 | 0 | None | -3981 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 508 | 7 | 1 | 4 | 6.9 | O=C(O)C1CCCN(CCCc2ccc3oc(-c4ccc(-c5ccccc5)c(C(F)(F)F)c4)nc3c2)C1 | 10.1016/j.bmcl.2012.04.095 | ||
70681689 | 81759 | 0 | None | -199 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 438 | 4 | 1 | 4 | 5.7 | O=C(O)C1CN(c2ccc3oc(-c4ccc(-c5ccccc5)c(C(F)(F)F)c4)nc3c2)C1 | 10.1016/j.bmcl.2012.04.095 | ||
CHEMBL2032439 | 81759 | 0 | None | -199 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 438 | 4 | 1 | 4 | 5.7 | O=C(O)C1CN(c2ccc3oc(-c4ccc(-c5ccccc5)c(C(F)(F)F)c4)nc3c2)C1 | 10.1016/j.bmcl.2012.04.095 | ||
44125704 | 123178 | 0 | None | -316 | 2 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 472 | 8 | 2 | 8 | 4.5 | CC(C)Oc1ncc(-c2nc(-c3cccc4c3OCCNC4CCCC(=O)O)no2)cc1Cl | 10.1021/jm5010336 | ||
CHEMBL3359854 | 123178 | 0 | None | -316 | 2 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 472 | 8 | 2 | 8 | 4.5 | CC(C)Oc1ncc(-c2nc(-c3cccc4c3OCCNC4CCCC(=O)O)no2)cc1Cl | 10.1021/jm5010336 | ||
118716180 | 121677 | 0 | None | -47 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 452 | 9 | 4 | 7 | 2.3 | NC(CO)(CCc1ccc(-c2cn(-c3ccc(Cl)cc3)nn2)cc1)COP(=O)(O)O | 10.1016/j.ejmech.2014.07.081 | ||
CHEMBL3342005 | 121677 | 0 | None | -47 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 452 | 9 | 4 | 7 | 2.3 | NC(CO)(CCc1ccc(-c2cn(-c3ccc(Cl)cc3)nn2)cc1)COP(=O)(O)O | 10.1016/j.ejmech.2014.07.081 | ||
11452022 | 10368 | 39 | None | -19 | 6 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CC[C@@](COP(=O)(O)O)(CO)N | 10.1016/j.bmc.2014.05.035 | ||
6996 | 10368 | 39 | None | -19 | 6 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CC[C@@](COP(=O)(O)O)(CO)N | 10.1016/j.bmc.2014.05.035 | ||
CHEMBL366208 | 10368 | 39 | None | -19 | 6 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CC[C@@](COP(=O)(O)O)(CO)N | 10.1016/j.bmc.2014.05.035 | ||
10883396 | 10421 | 45 | None | 1 | 15 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 10.1016/j.bmcl.2012.11.053 | ||
5283560 | 10421 | 45 | None | 1 | 15 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 10.1016/j.bmcl.2012.11.053 | ||
911 | 10421 | 45 | None | 1 | 15 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 10.1016/j.bmcl.2012.11.053 | ||
CHEMBL225155 | 10421 | 45 | None | 1 | 15 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 10.1016/j.bmcl.2012.11.053 | ||
76325528 | 112522 | 0 | None | -7 | 2 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 508 | 11 | 3 | 8 | 3.7 | CCc1cc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)cc(C2CCCC2)n1 | 10.1021/jm4014696 | ||
CHEMBL3126589 | 112522 | 0 | None | -7 | 2 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 508 | 11 | 3 | 8 | 3.7 | CCc1cc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)cc(C2CCCC2)n1 | 10.1021/jm4014696 | ||
10883396 | 10421 | 45 | None | 1 | 15 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 10.1016/j.bmcl.2010.02.098 | ||
5283560 | 10421 | 45 | None | 1 | 15 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 10.1016/j.bmcl.2010.02.098 | ||
911 | 10421 | 45 | None | 1 | 15 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 10.1016/j.bmcl.2010.02.098 | ||
CHEMBL225155 | 10421 | 45 | None | 1 | 15 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 10.1016/j.bmcl.2010.02.098 | ||
11222939 | 74349 | 9 | None | -4 | 4 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(CC[C@@](N)(CO)COP(=O)(O)O)cc1 | 10.1016/j.bmcl.2010.01.118 | ||
44438254 | 74349 | 9 | None | -4 | 4 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(CC[C@@](N)(CO)COP(=O)(O)O)cc1 | 10.1016/j.bmcl.2010.01.118 | ||
CHEMBL190006 | 74349 | 9 | None | -4 | 4 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(CC[C@@](N)(CO)COP(=O)(O)O)cc1 | 10.1016/j.bmcl.2010.01.118 | ||
66829334 | 146683 | 0 | None | -39 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 530 | 14 | 3 | 9 | 3.6 | CCCN(C)Cc1sc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)cc1CC | 10.1016/j.ejmech.2016.03.048 | ||
CHEMBL3799441 | 146683 | 0 | None | -39 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 530 | 14 | 3 | 9 | 3.6 | CCCN(C)Cc1sc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)cc1CC | 10.1016/j.ejmech.2016.03.048 | ||
118707012 | 119773 | 0 | None | -28 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 435 | 12 | 3 | 5 | 3.5 | Cc1ccc(CCCC(=O)c2ccc(COC[C@@](C)(N)COP(=O)(O)O)cc2)cc1 | 10.1016/j.bmc.2014.05.035 | ||
CHEMBL3311106 | 119773 | 0 | None | -28 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 435 | 12 | 3 | 5 | 3.5 | Cc1ccc(CCCC(=O)c2ccc(COC[C@@](C)(N)COP(=O)(O)O)cc2)cc1 | 10.1016/j.bmc.2014.05.035 | ||
46236403 | 15409 | 0 | None | -1 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 386 | 3 | 1 | 4 | 5.2 | Cc1cccc(N2C(=O)/C(=C/c3ccc(O)c(Cl)c3)S/C2=N\C(C)C)c1 | 10.1021/jm100181s | ||
CHEMBL1095153 | 15409 | 0 | None | -1 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 386 | 3 | 1 | 4 | 5.2 | Cc1cccc(N2C(=O)/C(=C/c3ccc(O)c(Cl)c3)S/C2=N\C(C)C)c1 | 10.1021/jm100181s | ||
57394951 | 77679 | 0 | None | -57 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 447 | 7 | 1 | 7 | 5.1 | Cc1ccccc1Oc1ccc(-c2nc(-c3csc(CN4CC(C(=O)O)C4)c3)no2)cc1 | 10.1016/j.bmcl.2011.12.019 | ||
CHEMBL1951157 | 77679 | 0 | None | -57 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 447 | 7 | 1 | 7 | 5.1 | Cc1ccccc1Oc1ccc(-c2nc(-c3csc(CN4CC(C(=O)O)C4)c3)no2)cc1 | 10.1016/j.bmcl.2011.12.019 | ||
44219368 | 146501 | 0 | None | -251 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 482 | 11 | 3 | 8 | 2.5 | CCc1cc(-c2noc(-c3cc(C)cc(CN(C)C)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1016/j.ejmech.2016.03.048 | ||
CHEMBL3798218 | 146501 | 0 | None | -251 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 482 | 11 | 3 | 8 | 2.5 | CCc1cc(-c2noc(-c3cc(C)cc(CN(C)C)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1016/j.ejmech.2016.03.048 | ||
11853580 | 111172 | 0 | None | -181 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 469 | 11 | 2 | 5 | 5.2 | Cc1cc(CCC(=O)c2sc(C)c3c2C[C@@H]2[C@H]3C2(C)C)cc(C)c1OCCCNCC(=O)O | 10.1021/jm4014373 | ||
CHEMBL3102985 | 111172 | 0 | None | -181 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 469 | 11 | 2 | 5 | 5.2 | Cc1cc(CCC(=O)c2sc(C)c3c2C[C@@H]2[C@H]3C2(C)C)cc(C)c1OCCCNCC(=O)O | 10.1021/jm4014373 | ||
76332956 | 112850 | 0 | None | -3 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 441 | 12 | 4 | 5 | 3.7 | CCCCc1ccc(Oc2ccc(CCC(N)(CO)COP(=O)(O)O)c(F)c2)cc1 | 10.1039/C3MD00079F | ||
CHEMBL3133599 | 112850 | 0 | None | -3 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 441 | 12 | 4 | 5 | 3.7 | CCCCc1ccc(Oc2ccc(CCC(N)(CO)COP(=O)(O)O)c(F)c2)cc1 | 10.1039/C3MD00079F | ||
57400585 | 76657 | 0 | None | -48 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 471 | 5 | 1 | 6 | 4.2 | CC1SCCN1C(=O)c1ccc2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3F)sc2c1 | 10.1016/j.bmcl.2011.10.069 | ||
CHEMBL1938933 | 76657 | 0 | None | -48 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 471 | 5 | 1 | 6 | 4.2 | CC1SCCN1C(=O)c1ccc2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3F)sc2c1 | 10.1016/j.bmcl.2011.10.069 | ||
57402358 | 76652 | 0 | None | -19 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 461 | 7 | 1 | 5 | 5.6 | CCC(c1ccc2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3F)sc2c1)c1ccccn1 | 10.1016/j.bmcl.2011.10.069 | ||
CHEMBL1938927 | 76652 | 0 | None | -19 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 461 | 7 | 1 | 5 | 5.6 | CCC(c1ccc2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3F)sc2c1)c1ccccn1 | 10.1016/j.bmcl.2011.10.069 | ||
57402280 | 78267 | 0 | None | -31622 | 2 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 405 | 8 | 1 | 3 | 4.7 | CC1=C(CN2CC(C(=O)O)C2)CCc2cc(OCC(C)Cc3ccccc3)ccc21 | 10.1016/j.bmcl.2011.11.048 | ||
CHEMBL1935580 | 78267 | 0 | None | -31622 | 2 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 405 | 8 | 1 | 3 | 4.7 | CC1=C(CN2CC(C(=O)O)C2)CCc2cc(OCC(C)Cc3ccccc3)ccc21 | 10.1016/j.bmcl.2011.11.048 | ||
CHEMBL1962533 | 78267 | 0 | None | -31622 | 2 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 405 | 8 | 1 | 3 | 4.7 | CC1=C(CN2CC(C(=O)O)C2)CCc2cc(OCC(C)Cc3ccccc3)ccc21 | 10.1016/j.bmcl.2011.11.048 | ||
76311232 | 112857 | 0 | None | 1 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 421 | 12 | 4 | 4 | 3.2 | CCCc1ccc(CCc2ccc(CCC(N)(CO)COP(=O)(O)O)cc2)cc1 | 10.1039/C3MD00079F | ||
CHEMBL3133605 | 112857 | 0 | None | 1 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 421 | 12 | 4 | 4 | 3.2 | CCCc1ccc(CCc2ccc(CCC(N)(CO)COP(=O)(O)O)cc2)cc1 | 10.1039/C3MD00079F | ||
127046325 | 146403 | 0 | None | -208 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 524 | 14 | 3 | 8 | 3.5 | CCc1cc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)ccc1CN(CC)CC | 10.1016/j.ejmech.2016.03.048 | ||
CHEMBL3797596 | 146403 | 0 | None | -208 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 524 | 14 | 3 | 8 | 3.5 | CCc1cc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)ccc1CN(CC)CC | 10.1016/j.ejmech.2016.03.048 | ||
127047083 | 146770 | 0 | None | -346 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 510 | 11 | 3 | 9 | 3.2 | CCc1cc(-c2noc(-c3cc(OC)c(C4CCCC4)cn3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1016/j.ejmech.2016.03.020 | ||
CHEMBL3799953 | 146770 | 0 | None | -346 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 510 | 11 | 3 | 9 | 3.2 | CCc1cc(-c2noc(-c3cc(OC)c(C4CCCC4)cn3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1016/j.ejmech.2016.03.020 | ||
76322118 | 112861 | 0 | None | -2 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 409 | 12 | 4 | 4 | 3.7 | CCCCCCc1ccc2cc(CCC(N)(CO)COP(=O)(O)O)ccc2c1 | 10.1039/C3MD00079F | ||
CHEMBL3133609 | 112861 | 0 | None | -2 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 409 | 12 | 4 | 4 | 3.7 | CCCCCCc1ccc2cc(CCC(N)(CO)COP(=O)(O)O)ccc2c1 | 10.1039/C3MD00079F | ||
127046456 | 146432 | 0 | None | -138 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 510 | 13 | 4 | 8 | 3.2 | CCc1cc(-c2noc(-c3cc(C)cc(CNCC(C)C)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1016/j.ejmech.2016.03.048 | ||
CHEMBL3797802 | 146432 | 0 | None | -138 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 510 | 13 | 4 | 8 | 3.2 | CCc1cc(-c2noc(-c3cc(C)cc(CNCC(C)C)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1016/j.ejmech.2016.03.048 | ||
118716144 | 121656 | 0 | None | -28 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 502 | 10 | 4 | 7 | 3.6 | NC(CO)(CCc1ccc(-c2coc(-c3ccc(OC(F)(F)F)cc3)n2)cc1)COP(=O)(O)O | 10.1016/j.ejmech.2014.07.081 | ||
CHEMBL3341922 | 121656 | 0 | None | -28 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 502 | 10 | 4 | 7 | 3.6 | NC(CO)(CCc1ccc(-c2coc(-c3ccc(OC(F)(F)F)cc3)n2)cc1)COP(=O)(O)O | 10.1016/j.ejmech.2014.07.081 | ||
46236805 | 15562 | 0 | None | 8 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 428 | 7 | 1 | 4 | 5.7 | CC(C)/N=C1\S/C(=C\c2ccc(O)c(Cl)c2)C(=O)N1CCCCc1ccccc1 | 10.1021/jm100181s | ||
CHEMBL1096542 | 15562 | 0 | None | 8 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 428 | 7 | 1 | 4 | 5.7 | CC(C)/N=C1\S/C(=C\c2ccc(O)c(Cl)c2)C(=O)N1CCCCc1ccccc1 | 10.1021/jm100181s | ||
46236934 | 15827 | 0 | None | 2 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 368 | 4 | 1 | 5 | 4.3 | COc1ccc(/C=C2\S/C(=N\C(C)C)N(c3ccccc3)C2=O)cc1O | 10.1021/jm100181s | ||
CHEMBL1098772 | 15827 | 0 | None | 2 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 368 | 4 | 1 | 5 | 4.3 | COc1ccc(/C=C2\S/C(=N\C(C)C)N(c3ccccc3)C2=O)cc1O | 10.1021/jm100181s | ||
76322128 | 112872 | 0 | None | -6 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 473 | 11 | 4 | 6 | 3.9 | COc1cccc(-c2ccc(Oc3ccc(CCC(N)(CO)COP(=O)(O)O)cc3)cc2)c1 | 10.1039/C3MD00079F | ||
CHEMBL3133708 | 112872 | 0 | None | -6 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 473 | 11 | 4 | 6 | 3.9 | COc1cccc(-c2ccc(Oc3ccc(CCC(N)(CO)COP(=O)(O)O)cc3)cc2)c1 | 10.1039/C3MD00079F | ||
127047020 | 146798 | 0 | None | -72 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 496 | 11 | 3 | 9 | 2.8 | CCc1cc(-c2noc(-c3cc(OC)nc(C4CCC4)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1016/j.ejmech.2016.03.020 | ||
CHEMBL3800133 | 146798 | 0 | None | -72 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 496 | 11 | 3 | 9 | 2.8 | CCc1cc(-c2noc(-c3cc(OC)nc(C4CCC4)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1016/j.ejmech.2016.03.020 | ||
118707196 | 119820 | 0 | None | -54 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 469 | 12 | 3 | 5 | 4.2 | Cc1ccc(CCCC(=O)c2ccc(COC[C@@](C)(N)COP(=O)(O)O)c(Cl)c2)cc1 | 10.1016/j.bmc.2014.05.035 | ||
CHEMBL3311351 | 119820 | 0 | None | -54 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 469 | 12 | 3 | 5 | 4.2 | Cc1ccc(CCCC(=O)c2ccc(COC[C@@](C)(N)COP(=O)(O)O)c(Cl)c2)cc1 | 10.1016/j.bmc.2014.05.035 | ||
59982944 | 94366 | 0 | None | -7244 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 494 | 10 | 2 | 4 | 6.4 | C/C(=N\OCc1ccc(C2CCCCC2)c(C(F)(F)F)c1)c1ccc(CNCCC(=O)O)c(F)c1 | 10.1021/ml300396r | ||
CHEMBL2336064 | 94366 | 0 | None | -7244 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 494 | 10 | 2 | 4 | 6.4 | C/C(=N\OCc1ccc(C2CCCCC2)c(C(F)(F)F)c1)c1ccc(CNCCC(=O)O)c(F)c1 | 10.1021/ml300396r | ||
11633613 | 111209 | 0 | None | -346 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 442 | 9 | 2 | 5 | 4.8 | Cc1cc(CCC(=O)c2sc(C)c3c2C[C@@H]2[C@H]3C2(C)C)cc(C)c1OCC(CO)CO | 10.1021/jm4014373 | ||
CHEMBL3103657 | 111209 | 0 | None | -346 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 442 | 9 | 2 | 5 | 4.8 | Cc1cc(CCC(=O)c2sc(C)c3c2C[C@@H]2[C@H]3C2(C)C)cc(C)c1OCC(CO)CO | 10.1021/jm4014373 | ||
56949269 | 151207 | 0 | None | -21 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 333 | 5 | 0 | 4 | 5.0 | c1ccc(C2(CCc3nc(-c4cccnc4)no3)CCCCC2)cc1 | nan | ||
CHEMBL3906369 | 151207 | 0 | None | -21 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 333 | 5 | 0 | 4 | 5.0 | c1ccc(C2(CCc3nc(-c4cccnc4)no3)CCCCC2)cc1 | nan | ||
56948778 | 153767 | 0 | None | -4 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 346 | 5 | 0 | 3 | 5.9 | Cc1cccc(-c2noc(CCC3(c4ccccc4)CCCCC3)n2)c1 | nan | ||
CHEMBL3926389 | 153767 | 0 | None | -4 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 346 | 5 | 0 | 3 | 5.9 | Cc1cccc(-c2noc(CCC3(c4ccccc4)CCCCC3)n2)c1 | nan | ||
57400476 | 78433 | 0 | None | -36307 | 2 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 405 | 8 | 1 | 3 | 5.0 | CC1=C(CN2CC(C(=O)O)C2)CCc2cc(OCCC(C)c3ccccc3)ccc21 | 10.1016/j.bmcl.2011.11.048 | ||
CHEMBL1935579 | 78433 | 0 | None | -36307 | 2 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 405 | 8 | 1 | 3 | 5.0 | CC1=C(CN2CC(C(=O)O)C2)CCc2cc(OCCC(C)c3ccccc3)ccc21 | 10.1016/j.bmcl.2011.11.048 | ||
CHEMBL1963631 | 78433 | 0 | None | -36307 | 2 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 405 | 8 | 1 | 3 | 5.0 | CC1=C(CN2CC(C(=O)O)C2)CCc2cc(OCCC(C)c3ccccc3)ccc21 | 10.1016/j.bmcl.2011.11.048 | ||
76329326 | 112867 | 0 | None | -1 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 471 | 11 | 4 | 5 | 4.1 | Cc1ccc(Cc2ccc(Oc3ccc(CCC(N)(CO)COP(=O)(O)O)cc3)cc2)cc1 | 10.1039/C3MD00079F | ||
CHEMBL3133703 | 112867 | 0 | None | -1 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 471 | 11 | 4 | 5 | 4.1 | Cc1ccc(Cc2ccc(Oc3ccc(CCC(N)(CO)COP(=O)(O)O)cc3)cc2)cc1 | 10.1039/C3MD00079F | ||
46236664 | 15299 | 0 | None | 1 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 373 | 3 | 1 | 5 | 4.3 | CC(C)/N=C1\S/C(=C\c2ccc(O)c(Cl)c2)C(=O)N1c1cccnc1 | 10.1021/jm100181s | ||
CHEMBL1094247 | 15299 | 0 | None | 1 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 373 | 3 | 1 | 5 | 4.3 | CC(C)/N=C1\S/C(=C\c2ccc(O)c(Cl)c2)C(=O)N1c1cccnc1 | 10.1021/jm100181s | ||
44422604 | 92223 | 0 | None | -10 | 5 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 432 | 15 | 4 | 4 | 4.4 | CCCCCCCCCCc1ccc(NC(=O)[C@H](N)CC(F)OP(=O)(O)O)cc1 | 10.1016/j.bmc.2006.10.060 | ||
CHEMBL226612 | 92223 | 0 | None | -10 | 5 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 432 | 15 | 4 | 4 | 4.4 | CCCCCCCCCCc1ccc(NC(=O)[C@H](N)CC(F)OP(=O)(O)O)cc1 | 10.1016/j.bmc.2006.10.060 | ||
11575913 | 84897 | 0 | None | -5 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 444 | 7 | 1 | 5 | 5.3 | Cc1cc(CCC(=O)O)ccc1-c1noc(-c2ccc(OC(C)C)c(Br)c2)n1 | 10.1016/j.bmcl.2006.04.084 | ||
CHEMBL210316 | 84897 | 0 | None | -5 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 444 | 7 | 1 | 5 | 5.3 | Cc1cc(CCC(=O)O)ccc1-c1noc(-c2ccc(OC(C)C)c(Br)c2)n1 | 10.1016/j.bmcl.2006.04.084 | ||
127046179 | 146585 | 0 | None | -41 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 544 | 13 | 3 | 9 | 3.9 | CCc1cc(-c2noc(-c3sc(CN(C)CC(C)C)c(C)c3C)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1016/j.ejmech.2016.03.048 | ||
CHEMBL3798807 | 146585 | 0 | None | -41 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 544 | 13 | 3 | 9 | 3.9 | CCc1cc(-c2noc(-c3sc(CN(C)CC(C)C)c(C)c3C)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1016/j.ejmech.2016.03.048 | ||
46880801 | 13038 | 0 | None | -6 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 314 | 7 | 2 | 5 | 3.1 | CCCN(CCC)c1cc(C(=O)Nc2ccc(O)cc2)ncn1 | nan | ||
CHEMBL1081646 | 13038 | 0 | None | -6 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 314 | 7 | 2 | 5 | 3.1 | CCCN(CCC)c1cc(C(=O)Nc2ccc(O)cc2)ncn1 | nan | ||
46880801 | 13038 | 0 | None | -6 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 314 | 7 | 2 | 5 | 3.1 | CCCN(CCC)c1cc(C(=O)Nc2ccc(O)cc2)ncn1 | 10.1016/j.bmcl.2010.01.102 | ||
CHEMBL1081646 | 13038 | 0 | None | -6 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 314 | 7 | 2 | 5 | 3.1 | CCCN(CCC)c1cc(C(=O)Nc2ccc(O)cc2)ncn1 | 10.1016/j.bmcl.2010.01.102 | ||
25182774 | 12899 | 0 | None | -11 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 364 | 4 | 2 | 5 | 3.7 | Cc1cc2[nH]ncc2cc1NC(=O)c1cc(N(C)C2CCCCC2)ncn1 | nan | ||
CHEMBL1080881 | 12899 | 0 | None | -11 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 364 | 4 | 2 | 5 | 3.7 | Cc1cc2[nH]ncc2cc1NC(=O)c1cc(N(C)C2CCCCC2)ncn1 | nan | ||
25182928 | 152747 | 0 | None | -81 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 463 | 9 | 2 | 6 | 3.8 | O=C(Nc1ccc(CN2CC(C(=O)O)C2)cc1)c1cc(N(CC2CC2)C2CCCCC2)ncn1 | nan | ||
CHEMBL3918272 | 152747 | 0 | None | -81 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 463 | 9 | 2 | 6 | 3.8 | O=C(Nc1ccc(CN2CC(C(=O)O)C2)cc1)c1cc(N(CC2CC2)C2CCCCC2)ncn1 | nan | ||
46881623 | 13535 | 0 | None | -389 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 477 | 9 | 2 | 6 | 4.1 | Cc1cc(CN2CC(C(=O)O)C2)ccc1NC(=O)c1cc(N(CC2CC2)C2CCCCC2)ncn1 | 10.1016/j.bmcl.2010.01.102 | ||
CHEMBL1083828 | 13535 | 0 | None | -389 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 477 | 9 | 2 | 6 | 4.1 | Cc1cc(CN2CC(C(=O)O)C2)ccc1NC(=O)c1cc(N(CC2CC2)C2CCCCC2)ncn1 | 10.1016/j.bmcl.2010.01.102 | ||
23729211 | 112314 | 0 | None | -154 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 473 | 10 | 3 | 8 | 3.4 | Cc1cc(-c2noc(-c3cc(CC(C)C)c(C)s3)n2)cc(C)c1OCC(O)CNC(=O)CO | 10.1021/jm401456d | ||
CHEMBL3121968 | 112314 | 0 | None | -154 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 473 | 10 | 3 | 8 | 3.4 | Cc1cc(-c2noc(-c3cc(CC(C)C)c(C)s3)n2)cc(C)c1OCC(O)CNC(=O)CO | 10.1021/jm401456d | ||
118716146 | 121658 | 0 | None | -10 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 460 | 10 | 4 | 6 | 3.9 | CC(C)c1ccc(-c2nc(-c3ccc(CCC(N)(CO)COP(=O)(O)O)cc3)co2)cc1 | 10.1016/j.ejmech.2014.07.081 | ||
CHEMBL3341924 | 121658 | 0 | None | -10 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 460 | 10 | 4 | 6 | 3.9 | CC(C)c1ccc(-c2nc(-c3ccc(CCC(N)(CO)COP(=O)(O)O)cc3)co2)cc1 | 10.1016/j.ejmech.2014.07.081 | ||
76310852 | 112332 | 0 | None | -21 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 525 | 10 | 3 | 8 | 4.0 | CCc1cc(-c2noc(-c3sc(CC)c4c3CCC3(CC3)C4)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1021/jm401456d | ||
CHEMBL3121987 | 112332 | 0 | None | -21 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 525 | 10 | 3 | 8 | 4.0 | CCc1cc(-c2noc(-c3sc(CC)c4c3CCC3(CC3)C4)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1021/jm401456d | ||
76310992 | 112517 | 0 | None | -239 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 480 | 10 | 3 | 8 | 3.1 | CCc1cc(-c2noc(-c3cc(C)nc(C4CCC4)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1021/jm4014696 | ||
CHEMBL3126584 | 112517 | 0 | None | -239 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 480 | 10 | 3 | 8 | 3.1 | CCc1cc(-c2noc(-c3cc(C)nc(C4CCC4)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1021/jm4014696 | ||
76321896 | 112556 | 0 | None | -120 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 508 | 11 | 3 | 8 | 3.7 | CCc1cc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)cnc1C1CCCC1 | 10.1021/jm4014696 | ||
CHEMBL3126624 | 112556 | 0 | None | -120 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 508 | 11 | 3 | 8 | 3.7 | CCc1cc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)cnc1C1CCCC1 | 10.1021/jm4014696 | ||
46237175 | 15634 | 0 | None | -1 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 412 | 7 | 2 | 6 | 3.3 | CC(C)/N=C1\S/C(=C\c2ccc(OCC(O)CO)cc2)C(=O)N1c1ccccc1 | 10.1021/jm100181s | ||
CHEMBL1097182 | 15634 | 0 | None | -1 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 412 | 7 | 2 | 6 | 3.3 | CC(C)/N=C1\S/C(=C\c2ccc(OCC(O)CO)cc2)C(=O)N1c1ccccc1 | 10.1021/jm100181s | ||
46881912 | 13538 | 0 | None | -5 | 4 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 425 | 13 | 2 | 5 | 2.8 | CCCCCCCOc1ccc(CC[C@](C)(N)CCN2CC(=O)NS2(=O)=O)cc1 | 10.1016/j.bmcl.2010.01.118 | ||
CHEMBL1083841 | 13538 | 0 | None | -5 | 4 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 425 | 13 | 2 | 5 | 2.8 | CCCCCCCOc1ccc(CC[C@](C)(N)CCN2CC(=O)NS2(=O)=O)cc1 | 10.1016/j.bmcl.2010.01.118 | ||
57437389 | 112342 | 0 | None | -186 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 555 | 11 | 3 | 6 | 4.8 | CCc1cc(CCC(=O)c2sc(C(F)(F)F)c3c2CCC(C)(C)C3)cc(C)c1OCC(O)CNC(=O)CO | 10.1021/jm401456d | ||
CHEMBL3121997 | 112342 | 0 | None | -186 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 555 | 11 | 3 | 6 | 4.8 | CCc1cc(CCC(=O)c2sc(C(F)(F)F)c3c2CCC(C)(C)C3)cc(C)c1OCC(O)CNC(=O)CO | 10.1021/jm401456d | ||
5309153 | 44272 | 10 | None | 24 | 4 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 318 | 5 | 0 | 3 | 4.7 | CCCc1cc(C(=O)N(C2CCCCC2)C2CCCCC2)no1 | nan | ||
CHEMBL1455786 | 44272 | 10 | None | 24 | 4 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 318 | 5 | 0 | 3 | 4.7 | CCCc1cc(C(=O)N(C2CCCCC2)C2CCCCC2)no1 | nan | ||
53322737 | 64776 | 0 | None | -93 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 446 | 6 | 1 | 4 | 5.5 | Cc1ccccc1Cc1ccc2sc(-c3ccc(CN4CC(C(=O)O)C4)cc3F)nc2c1 | 10.1021/ml100228m | ||
CHEMBL1672564 | 64776 | 0 | None | -93 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 446 | 6 | 1 | 4 | 5.5 | Cc1ccccc1Cc1ccc2sc(-c3ccc(CN4CC(C(=O)O)C4)cc3F)nc2c1 | 10.1021/ml100228m | ||
118716141 | 121652 | 0 | None | -15 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 436 | 9 | 4 | 6 | 2.9 | NC(CO)(CCc1ccc(-c2coc(-c3ccc(F)cc3)n2)cc1)COP(=O)(O)O | 10.1016/j.ejmech.2014.07.081 | ||
CHEMBL3341919 | 121652 | 0 | None | -15 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 436 | 9 | 4 | 6 | 2.9 | NC(CO)(CCc1ccc(-c2coc(-c3ccc(F)cc3)n2)cc1)COP(=O)(O)O | 10.1016/j.ejmech.2014.07.081 | ||
46236522 | 15701 | 0 | None | -7 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 420 | 3 | 1 | 4 | 5.9 | Cc1c(Cl)cccc1N1C(=O)/C(=C/c2ccc(O)c(Cl)c2)S/C1=N\C(C)C | 10.1021/jm100181s | ||
CHEMBL1097809 | 15701 | 0 | None | -7 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 420 | 3 | 1 | 4 | 5.9 | Cc1c(Cl)cccc1N1C(=O)/C(=C/c2ccc(O)c(Cl)c2)S/C1=N\C(C)C | 10.1021/jm100181s | ||
66636847 | 112315 | 0 | None | -407 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 459 | 10 | 3 | 8 | 3.1 | Cc1cc(-c2noc(-c3ccc(CC(C)C)s3)n2)cc(C)c1OCC(O)CNC(=O)CO | 10.1021/jm401456d | ||
CHEMBL3121969 | 112315 | 0 | None | -407 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 459 | 10 | 3 | 8 | 3.1 | Cc1cc(-c2noc(-c3ccc(CC(C)C)s3)n2)cc(C)c1OCC(O)CNC(=O)CO | 10.1021/jm401456d | ||
46880964 | 14370 | 0 | None | -416 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 457 | 8 | 2 | 6 | 3.5 | CNS(=O)(=O)c1ccc(NC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)c(C)c1 | nan | ||
CHEMBL1087909 | 14370 | 0 | None | -416 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 457 | 8 | 2 | 6 | 3.5 | CNS(=O)(=O)c1ccc(NC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)c(C)c1 | nan | ||
76328931 | 112323 | 0 | None | -63 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 472 | 11 | 2 | 5 | 5.8 | CCc1sc(C(=O)CCc2cc(C)c(OC[C@@H](O)CO)c(C)c2)c2c1CC(CC)(CC)CC2 | 10.1021/jm401456d | ||
CHEMBL3121978 | 112323 | 0 | None | -63 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 472 | 11 | 2 | 5 | 5.8 | CCc1sc(C(=O)CCc2cc(C)c(OC[C@@H](O)CO)c(C)c2)c2c1CC(CC)(CC)CC2 | 10.1021/jm401456d | ||
76336214 | 112341 | 0 | None | -19 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 529 | 13 | 3 | 6 | 4.8 | CCCc1sc(C(=O)CCc2cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c2)c2c1CC(C)(C)CC2 | 10.1021/jm401456d | ||
CHEMBL3121996 | 112341 | 0 | None | -19 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 529 | 13 | 3 | 6 | 4.8 | CCCc1sc(C(=O)CCc2cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c2)c2c1CC(C)(C)CC2 | 10.1021/jm401456d | ||
76325529 | 112523 | 0 | None | -12 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 522 | 11 | 3 | 8 | 4.1 | CCc1cc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)cc(C2CCCCC2)n1 | 10.1021/jm4014696 | ||
CHEMBL3126590 | 112523 | 0 | None | -12 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 522 | 11 | 3 | 8 | 4.1 | CCc1cc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)cc(C2CCCCC2)n1 | 10.1021/jm4014696 | ||
76314625 | 112554 | 0 | None | -251 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 494 | 10 | 3 | 8 | 3.5 | CCc1cc(-c2noc(-c3cnc(C4CCCC4)c(C)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1021/jm4014696 | ||
CHEMBL3126622 | 112554 | 0 | None | -251 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 494 | 10 | 3 | 8 | 3.5 | CCc1cc(-c2noc(-c3cnc(C4CCCC4)c(C)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1021/jm4014696 | ||
25192001 | 14831 | 0 | None | -2 | 4 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 413 | 12 | 4 | 4 | 3.5 | CCCCCCCCc1ccc2c(c1)CC[C@@H](C(N)(CO)COP(=O)(O)O)C2 | 10.1016/j.bmcl.2010.02.006 | ||
CHEMBL1091103 | 14831 | 0 | None | -2 | 4 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 413 | 12 | 4 | 4 | 3.5 | CCCCCCCCc1ccc2c(c1)CC[C@@H](C(N)(CO)COP(=O)(O)O)C2 | 10.1016/j.bmcl.2010.02.006 | ||
57391921 | 76662 | 0 | None | -61 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 423 | 3 | 1 | 4 | 4.9 | Cn1nc(C(=O)Nc2ccc(-c3ccccc3)c(C(F)(F)F)c2)c(=O)c2ccccc21 | 10.1016/j.bmcl.2011.10.085 | ||
CHEMBL1938938 | 76662 | 0 | None | -61 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 423 | 3 | 1 | 4 | 4.9 | Cn1nc(C(=O)Nc2ccc(-c3ccccc3)c(C(F)(F)F)c2)c(=O)c2ccccc21 | 10.1016/j.bmcl.2011.10.085 | ||
57395370 | 76663 | 0 | None | 1 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 423 | 3 | 1 | 4 | 4.9 | Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(C(F)(F)F)c2)c(=O)c2ncccc21 | 10.1016/j.bmcl.2011.10.085 | ||
CHEMBL1938939 | 76663 | 0 | None | 1 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 423 | 3 | 1 | 4 | 4.9 | Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(C(F)(F)F)c2)c(=O)c2ncccc21 | 10.1016/j.bmcl.2011.10.085 | ||
57402391 | 76664 | 0 | None | -104 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 423 | 3 | 1 | 4 | 4.9 | Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(C(F)(F)F)c2)c(=O)c2cnccc21 | 10.1016/j.bmcl.2011.10.085 | ||
CHEMBL1938940 | 76664 | 0 | None | -104 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 423 | 3 | 1 | 4 | 4.9 | Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(C(F)(F)F)c2)c(=O)c2cnccc21 | 10.1016/j.bmcl.2011.10.085 | ||
57395371 | 76665 | 0 | None | -87 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 423 | 3 | 1 | 4 | 4.9 | Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(C(F)(F)F)c2)c(=O)c2ccncc21 | 10.1016/j.bmcl.2011.10.085 | ||
CHEMBL1938941 | 76665 | 0 | None | -87 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 423 | 3 | 1 | 4 | 4.9 | Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(C(F)(F)F)c2)c(=O)c2ccncc21 | 10.1016/j.bmcl.2011.10.085 | ||
57395372 | 76666 | 0 | None | -13 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 423 | 3 | 1 | 4 | 4.9 | Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(C(F)(F)F)c2)c(=O)c2cccnc21 | 10.1016/j.bmcl.2011.10.085 | ||
CHEMBL1938942 | 76666 | 0 | None | -13 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 423 | 3 | 1 | 4 | 4.9 | Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(C(F)(F)F)c2)c(=O)c2cccnc21 | 10.1016/j.bmcl.2011.10.085 | ||
57393649 | 76667 | 0 | None | -60 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 423 | 3 | 1 | 4 | 4.9 | Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(C(F)(F)F)n2)c(=O)c2ccccc21 | 10.1016/j.bmcl.2011.10.085 | ||
CHEMBL1938943 | 76667 | 0 | None | -60 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 423 | 3 | 1 | 4 | 4.9 | Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(C(F)(F)F)n2)c(=O)c2ccccc21 | 10.1016/j.bmcl.2011.10.085 | ||
57395373 | 76668 | 0 | None | -2 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 423 | 3 | 1 | 4 | 4.9 | Cn1cc(C(=O)Nc2cc(C(F)(F)F)c(-c3ccccc3)cn2)c(=O)c2ccccc21 | 10.1016/j.bmcl.2011.10.085 | ||
CHEMBL1938944 | 76668 | 0 | None | -2 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 423 | 3 | 1 | 4 | 4.9 | Cn1cc(C(=O)Nc2cc(C(F)(F)F)c(-c3ccccc3)cn2)c(=O)c2ccccc21 | 10.1016/j.bmcl.2011.10.085 | ||
57395374 | 76669 | 0 | None | 1 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 423 | 3 | 1 | 4 | 4.9 | Cn1cc(C(=O)Nc2cnc(-c3ccccc3)c(C(F)(F)F)c2)c(=O)c2ccccc21 | 10.1016/j.bmcl.2011.10.085 | ||
CHEMBL1938945 | 76669 | 0 | None | 1 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 423 | 3 | 1 | 4 | 4.9 | Cn1cc(C(=O)Nc2cnc(-c3ccccc3)c(C(F)(F)F)c2)c(=O)c2ccccc21 | 10.1016/j.bmcl.2011.10.085 | ||
57402392 | 76670 | 0 | None | -41 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 423 | 3 | 1 | 4 | 4.9 | Cn1cc(C(=O)Nc2ccc(-c3ccccn3)c(C(F)(F)F)c2)c(=O)c2ccccc21 | 10.1016/j.bmcl.2011.10.085 | ||
CHEMBL1938946 | 76670 | 0 | None | -41 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 423 | 3 | 1 | 4 | 4.9 | Cn1cc(C(=O)Nc2ccc(-c3ccccn3)c(C(F)(F)F)c2)c(=O)c2ccccc21 | 10.1016/j.bmcl.2011.10.085 | ||
57400586 | 76671 | 0 | None | -8 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 423 | 3 | 1 | 4 | 4.9 | Cn1cc(C(=O)Nc2ccc(-c3cccnc3)c(C(F)(F)F)c2)c(=O)c2ccccc21 | 10.1016/j.bmcl.2011.10.085 | ||
CHEMBL1938947 | 76671 | 0 | None | -8 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 423 | 3 | 1 | 4 | 4.9 | Cn1cc(C(=O)Nc2ccc(-c3cccnc3)c(C(F)(F)F)c2)c(=O)c2ccccc21 | 10.1016/j.bmcl.2011.10.085 | ||
57400587 | 76672 | 0 | None | -5 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 423 | 3 | 1 | 4 | 4.9 | Cn1cc(C(=O)Nc2ccc(-c3ccncc3)c(C(F)(F)F)c2)c(=O)c2ccccc21 | 10.1016/j.bmcl.2011.10.085 | ||
CHEMBL1938948 | 76672 | 0 | None | -5 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 423 | 3 | 1 | 4 | 4.9 | Cn1cc(C(=O)Nc2ccc(-c3ccncc3)c(C(F)(F)F)c2)c(=O)c2ccccc21 | 10.1016/j.bmcl.2011.10.085 | ||
56834955 | 76673 | 0 | None | -125 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 424 | 3 | 1 | 5 | 4.3 | Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(C(F)(F)F)n2)c(=O)c2cnccc21 | 10.1016/j.bmcl.2011.10.085 | ||
CHEMBL1938949 | 76673 | 0 | None | -125 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 424 | 3 | 1 | 5 | 4.3 | Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(C(F)(F)F)n2)c(=O)c2cnccc21 | 10.1016/j.bmcl.2011.10.085 | ||
57400588 | 76674 | 0 | None | -12 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 424 | 3 | 1 | 5 | 4.3 | Cn1cc(C(=O)Nc2ccc(-c3ccccn3)c(C(F)(F)F)c2)c(=O)c2cnccc21 | 10.1016/j.bmcl.2011.10.085 | ||
CHEMBL1938950 | 76674 | 0 | None | -12 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 424 | 3 | 1 | 5 | 4.3 | Cn1cc(C(=O)Nc2ccc(-c3ccccn3)c(C(F)(F)F)c2)c(=O)c2cnccc21 | 10.1016/j.bmcl.2011.10.085 | ||
57398897 | 76675 | 0 | None | -12 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 425 | 3 | 1 | 6 | 3.7 | Cn1cc(C(=O)Nc2ccc(-c3ccccn3)c(C(F)(F)F)n2)c(=O)c2cnccc21 | 10.1016/j.bmcl.2011.10.085 | ||
CHEMBL1938951 | 76675 | 0 | None | -12 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 425 | 3 | 1 | 6 | 3.7 | Cn1cc(C(=O)Nc2ccc(-c3ccccn3)c(C(F)(F)F)n2)c(=O)c2cnccc21 | 10.1016/j.bmcl.2011.10.085 | ||
57570467 | 94365 | 0 | None | -147 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 466 | 10 | 2 | 5 | 5.9 | C/C(=N\OCc1ccc(C2CCCCC2)c(C(F)(F)F)c1)c1ccc(CNCCC(=O)O)o1 | 10.1021/ml300396r | ||
CHEMBL2336063 | 94365 | 0 | None | -147 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 466 | 10 | 2 | 5 | 5.9 | C/C(=N\OCc1ccc(C2CCCCC2)c(C(F)(F)F)c1)c1ccc(CNCCC(=O)O)o1 | 10.1021/ml300396r | ||
16737513 | 64127 | 0 | None | -11 | 2 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 379 | 8 | 1 | 4 | 4.8 | CCCCOc1ccc2cc(-c3ccc(CN4CC(C(=O)O)C4)cc3)oc2c1 | 10.1021/ml100227q | ||
CHEMBL1651709 | 64127 | 0 | None | -11 | 2 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 379 | 8 | 1 | 4 | 4.8 | CCCCOc1ccc2cc(-c3ccc(CN4CC(C(=O)O)C4)cc3)oc2c1 | 10.1021/ml100227q | ||
44125589 | 123175 | 0 | None | -100 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 457 | 7 | 2 | 7 | 4.6 | CC(C)Oc1ccc(-c2nc(-c3ccc4c(c3)CNC(CCC(=O)O)CO4)no2)cc1Cl | 10.1021/jm5010336 | ||
CHEMBL3359851 | 123175 | 0 | None | -100 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 457 | 7 | 2 | 7 | 4.6 | CC(C)Oc1ccc(-c2nc(-c3ccc4c(c3)CNC(CCC(=O)O)CO4)no2)cc1Cl | 10.1021/jm5010336 | ||
70694325 | 81748 | 0 | None | -7943 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 454 | 8 | 2 | 4 | 5.8 | O=C(O)CNCCCc1ccc2oc(-c3ccc(-c4ccccc4)c(C(F)(F)F)c3)nc2c1 | 10.1016/j.bmcl.2012.04.095 | ||
CHEMBL2032428 | 81748 | 0 | None | -7943 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 454 | 8 | 2 | 4 | 5.8 | O=C(O)CNCCCc1ccc2oc(-c3ccc(-c4ccccc4)c(C(F)(F)F)c3)nc2c1 | 10.1016/j.bmcl.2012.04.095 | ||
53323421 | 64173 | 0 | None | -75 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 461 | 6 | 1 | 5 | 5.3 | CC(C)(c1ccccc1)c1ccc2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3F)sc2n1 | 10.1021/ml100306h | ||
CHEMBL1651860 | 64173 | 0 | None | -75 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 461 | 6 | 1 | 5 | 5.3 | CC(C)(c1ccccc1)c1ccc2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3F)sc2n1 | 10.1021/ml100306h | ||
54576721 | 82820 | 0 | None | -3162 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 474 | 9 | 1 | 6 | 5.1 | CCc1c(CCN2CC(C(=O)O)C2)cccc1-c1nsc(-c2ccc(CC(C)C)c(C#N)c2)n1 | 10.1021/jm2016107 | ||
CHEMBL2057286 | 82820 | 0 | None | -3162 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 474 | 9 | 1 | 6 | 5.1 | CCc1c(CCN2CC(C(=O)O)C2)cccc1-c1nsc(-c2ccc(CC(C)C)c(C#N)c2)n1 | 10.1021/jm2016107 | ||
57522812 | 83222 | 0 | None | -10000 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 505 | 8 | 1 | 6 | 5.8 | CCc1c(CN2CC(C(=O)O)C2)cccc1-c1nsc(-c2ccc(OC(C)C)c(C(F)(F)F)c2)n1 | 10.1021/jm2016107 | ||
CHEMBL2059686 | 83222 | 0 | None | -10000 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 505 | 8 | 1 | 6 | 5.8 | CCc1c(CN2CC(C(=O)O)C2)cccc1-c1nsc(-c2ccc(OC(C)C)c(C(F)(F)F)c2)n1 | 10.1021/jm2016107 | ||
54576288 | 83223 | 0 | None | -25118 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 547 | 9 | 1 | 6 | 6.6 | CCc1c(CCN2CCC(C(=O)O)CC2)cccc1-c1nsc(-c2ccc(OC(C)C)c(C(F)(F)F)c2)n1 | 10.1021/jm2016107 | ||
CHEMBL2059687 | 83223 | 0 | None | -25118 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 547 | 9 | 1 | 6 | 6.6 | CCc1c(CCN2CCC(C(=O)O)CC2)cccc1-c1nsc(-c2ccc(OC(C)C)c(C(F)(F)F)c2)n1 | 10.1021/jm2016107 | ||
107970 | 8420 | 83 | None | -23 | 4 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 307 | 12 | 3 | 3 | 3.2 | CCCCCCCCc1ccc(cc1)CCC(CO)(CO)N | 10.1016/j.bmcl.2017.12.018 | ||
2407 | 8420 | 83 | None | -23 | 4 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 307 | 12 | 3 | 3 | 3.2 | CCCCCCCCc1ccc(cc1)CCC(CO)(CO)N | 10.1016/j.bmcl.2017.12.018 | ||
4167 | 8420 | 83 | None | -23 | 4 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 307 | 12 | 3 | 3 | 3.2 | CCCCCCCCc1ccc(cc1)CCC(CO)(CO)N | 10.1016/j.bmcl.2017.12.018 | ||
CHEMBL314854 | 8420 | 83 | None | -23 | 4 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 307 | 12 | 3 | 3 | 3.2 | CCCCCCCCc1ccc(cc1)CCC(CO)(CO)N | 10.1016/j.bmcl.2017.12.018 | ||
DB08868 | 8420 | 83 | None | -23 | 4 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 307 | 12 | 3 | 3 | 3.2 | CCCCCCCCc1ccc(cc1)CCC(CO)(CO)N | 10.1016/j.bmcl.2017.12.018 | ||
70689433 | 79950 | 0 | None | -10 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 556 | 11 | 2 | 7 | 4.4 | CCCCN(C(=O)c1ccc(C(F)(F)F)cc1)c1nnc(-c2cccc(S(=O)(=O)NCCC(=O)O)c2)s1 | 10.1016/j.bmcl.2012.02.016 | ||
CHEMBL2011735 | 79950 | 0 | None | -10 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 556 | 11 | 2 | 7 | 4.4 | CCCCN(C(=O)c1ccc(C(F)(F)F)cc1)c1nnc(-c2cccc(S(=O)(=O)NCCC(=O)O)c2)s1 | 10.1016/j.bmcl.2012.02.016 | ||
49842175 | 72731 | 0 | None | -19952 | 2 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 489 | 8 | 2 | 8 | 3.2 | Cc1c(-c2noc(-c3ccc(OC(C)C)c(C#N)c3)n2)ccc2c1CCN(CC(=O)N[C@@H](C)CO)C2 | 10.1021/jm200609t | ||
CHEMBL1836171 | 72731 | 0 | None | -19952 | 2 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 489 | 8 | 2 | 8 | 3.2 | Cc1c(-c2noc(-c3ccc(OC(C)C)c(C#N)c3)n2)ccc2c1CCN(CC(=O)N[C@@H](C)CO)C2 | 10.1021/jm200609t | ||
44129145 | 123165 | 0 | None | -398 | 2 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 462 | 8 | 1 | 8 | 4.1 | CC(C)Oc1ccc(-c2nc(-c3ccc4c(c3)CN(CCCC(=O)O)CCO4)no2)cc1C#N | 10.1021/jm5010336 | ||
CHEMBL3359841 | 123165 | 0 | None | -398 | 2 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 462 | 8 | 1 | 8 | 4.1 | CC(C)Oc1ccc(-c2nc(-c3ccc4c(c3)CN(CCCC(=O)O)CCO4)no2)cc1C#N | 10.1021/jm5010336 | ||
42636536 | 123177 | 0 | None | -2511 | 2 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 471 | 8 | 2 | 7 | 5.1 | CC(C)Oc1ccc(-c2nc(-c3cccc4c3OCCNC4CCCC(=O)O)no2)cc1Cl | 10.1021/jm5010336 | ||
CHEMBL3359853 | 123177 | 0 | None | -2511 | 2 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 471 | 8 | 2 | 7 | 5.1 | CC(C)Oc1ccc(-c2nc(-c3cccc4c3OCCNC4CCCC(=O)O)no2)cc1Cl | 10.1021/jm5010336 | ||
76329073 | 112528 | 0 | None | -288 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 494 | 10 | 3 | 8 | 3.5 | CCc1cc(-c2noc(-c3cc(C4CCCC4)cc(C)n3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1021/jm4014696 | ||
CHEMBL3126596 | 112528 | 0 | None | -288 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 494 | 10 | 3 | 8 | 3.5 | CCc1cc(-c2noc(-c3cc(C4CCCC4)cc(C)n3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1021/jm4014696 | ||
46237047 | 15666 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 356 | 3 | 0 | 3 | 5.2 | CC(C)/N=C1\S/C(=C\c2ccccc2Cl)C(=O)N1c1ccccc1 | 10.1021/jm100181s | ||
CHEMBL1097527 | 15666 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 356 | 3 | 0 | 3 | 5.2 | CC(C)/N=C1\S/C(=C\c2ccccc2Cl)C(=O)N1c1ccccc1 | 10.1021/jm100181s | ||
25182909 | 12803 | 0 | None | -21 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 501 | 10 | 3 | 7 | 2.9 | Cc1cc(S(=O)(=O)NCC(=O)O)ccc1NC(=O)c1cc(N(CC2CC2)C2CCCCC2)ncn1 | nan | ||
CHEMBL1080384 | 12803 | 0 | None | -21 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 501 | 10 | 3 | 7 | 2.9 | Cc1cc(S(=O)(=O)NCC(=O)O)ccc1NC(=O)c1cc(N(CC2CC2)C2CCCCC2)ncn1 | nan | ||
69143673 | 111219 | 0 | None | -446 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 384 | 7 | 1 | 4 | 4.8 | Cc1cc(CCC(=O)c2sc(C)c3c2C[C@@H]2[C@H]3C2(C)C)ccc1OCCO | 10.1021/jm4014373 | ||
CHEMBL3103667 | 111219 | 0 | None | -446 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 384 | 7 | 1 | 4 | 4.8 | Cc1cc(CCC(=O)c2sc(C)c3c2C[C@@H]2[C@H]3C2(C)C)ccc1OCCO | 10.1021/jm4014373 | ||
76318055 | 112306 | 0 | None | -5 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 468 | 8 | 1 | 6 | 6.3 | CCc1cc(-c2noc(-c3sc(CC)c4c3CCC(C)(C)C4)n2)cc(C)c1OCCC(=O)O | 10.1021/jm401456d | ||
CHEMBL3121960 | 112306 | 0 | None | -5 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 468 | 8 | 1 | 6 | 6.3 | CCc1cc(-c2noc(-c3sc(CC)c4c3CCC(C)(C)C4)n2)cc(C)c1OCCC(=O)O | 10.1021/jm401456d | ||
46846902 | 146542 | 0 | None | -501 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 458 | 6 | 1 | 7 | 4.9 | CC(C)(C)c1c(-c2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3)no2)noc1-c1ccccc1 | 10.1021/acs.jmedchem.6b00089 | ||
CHEMBL3798531 | 146542 | 0 | None | -501 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 458 | 6 | 1 | 7 | 4.9 | CC(C)(C)c1c(-c2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3)no2)noc1-c1ccccc1 | 10.1021/acs.jmedchem.6b00089 | ||
44625753 | 94363 | 0 | None | -1862 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 477 | 10 | 2 | 5 | 5.7 | C/C(=N\OCc1ccc(C2CCCCC2)c(C(F)(F)F)c1)c1ccc(CNCCC(=O)O)cn1 | 10.1021/ml300396r | ||
CHEMBL2336061 | 94363 | 0 | None | -1862 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 477 | 10 | 2 | 5 | 5.7 | C/C(=N\OCc1ccc(C2CCCCC2)c(C(F)(F)F)c1)c1ccc(CNCCC(=O)O)cn1 | 10.1021/ml300396r | ||
44439851 | 152425 | 0 | None | -5248 | 3 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 403 | 6 | 1 | 6 | 4.6 | Cc1cc([C@@H]2C[C@H]2C(=O)O)ccc1-c1noc(-c2ccc(OC(C)C)c(C#N)c2)n1 | 10.1016/j.bmcl.2006.10.057 | ||
CHEMBL391581 | 152425 | 0 | None | -5248 | 3 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 403 | 6 | 1 | 6 | 4.6 | Cc1cc([C@@H]2C[C@H]2C(=O)O)ccc1-c1noc(-c2ccc(OC(C)C)c(C#N)c2)n1 | 10.1016/j.bmcl.2006.10.057 | ||
76310994 | 112553 | 0 | None | -2951 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 496 | 12 | 3 | 8 | 3.7 | CCc1cc(-c2noc(-c3cnc(C(CC)CC)c(C)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1021/jm4014696 | ||
CHEMBL3126621 | 112553 | 0 | None | -2951 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 496 | 12 | 3 | 8 | 3.7 | CCc1cc(-c2noc(-c3cnc(C(CC)CC)c(C)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1021/jm4014696 | ||
24956676 | 15294 | 0 | None | -2 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 386 | 5 | 1 | 4 | 5.3 | CCCC/N=C1\S/C(=C\c2ccc(O)c(Cl)c2)C(=O)N1c1ccccc1 | 10.1021/jm100181s | ||
CHEMBL1094213 | 15294 | 0 | None | -2 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 386 | 5 | 1 | 4 | 5.3 | CCCC/N=C1\S/C(=C\c2ccc(O)c(Cl)c2)C(=O)N1c1ccccc1 | 10.1021/jm100181s | ||
44439851 | 152425 | 0 | None | -5248 | 3 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 403 | 6 | 1 | 6 | 4.6 | Cc1cc([C@@H]2C[C@H]2C(=O)O)ccc1-c1noc(-c2ccc(OC(C)C)c(C#N)c2)n1 | 10.1016/j.bmcl.2006.10.057 | ||
CHEMBL391581 | 152425 | 0 | None | -5248 | 3 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 403 | 6 | 1 | 6 | 4.6 | Cc1cc([C@@H]2C[C@H]2C(=O)O)ccc1-c1noc(-c2ccc(OC(C)C)c(C#N)c2)n1 | 10.1016/j.bmcl.2006.10.057 | ||
57395369 | 76660 | 0 | None | -6 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 485 | 5 | 1 | 6 | 4.5 | CC1(C)SCCN1C(=O)c1ccc2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3F)sc2c1 | 10.1016/j.bmcl.2011.10.069 | ||
CHEMBL1938936 | 76660 | 0 | None | -6 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 485 | 5 | 1 | 6 | 4.5 | CC1(C)SCCN1C(=O)c1ccc2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3F)sc2c1 | 10.1016/j.bmcl.2011.10.069 | ||
11452022 | 10368 | 39 | None | -19 | 6 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CC[C@@](COP(=O)(O)O)(CO)N | 10.1016/j.bmcl.2011.10.085 | ||
6996 | 10368 | 39 | None | -19 | 6 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CC[C@@](COP(=O)(O)O)(CO)N | 10.1016/j.bmcl.2011.10.085 | ||
CHEMBL366208 | 10368 | 39 | None | -19 | 6 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CC[C@@](COP(=O)(O)O)(CO)N | 10.1016/j.bmcl.2011.10.085 | ||
68547259 | 146754 | 0 | None | -89 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 498 | 12 | 3 | 9 | 2.7 | CCc1cc(-c2noc(-c3cc(CC(C)C)nc(OC)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1016/j.ejmech.2016.03.020 | ||
CHEMBL3799872 | 146754 | 0 | None | -89 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 498 | 12 | 3 | 9 | 2.7 | CCc1cc(-c2noc(-c3cc(CC(C)C)nc(OC)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1016/j.ejmech.2016.03.020 | ||
11452022 | 10368 | 39 | None | -19 | 6 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CC[C@@](COP(=O)(O)O)(CO)N | 10.1021/acsmedchemlett.0c00631 | ||
6996 | 10368 | 39 | None | -19 | 6 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CC[C@@](COP(=O)(O)O)(CO)N | 10.1021/acsmedchemlett.0c00631 | ||
CHEMBL366208 | 10368 | 39 | None | -19 | 6 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CC[C@@](COP(=O)(O)O)(CO)N | 10.1021/acsmedchemlett.0c00631 | ||
11452022 | 10368 | 39 | None | -19 | 6 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CC[C@@](COP(=O)(O)O)(CO)N | 10.1016/j.bmcl.2010.02.006 | ||
6996 | 10368 | 39 | None | -19 | 6 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CC[C@@](COP(=O)(O)O)(CO)N | 10.1016/j.bmcl.2010.02.006 | ||
CHEMBL366208 | 10368 | 39 | None | -19 | 6 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CC[C@@](COP(=O)(O)O)(CO)N | 10.1016/j.bmcl.2010.02.006 | ||
44422573 | 92331 | 0 | None | -10 | 4 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 370 | 12 | 4 | 3 | 3.4 | CCCCCCCCc1ccc(NC(=O)[C@H](N)CCP(=O)(O)O)cc1 | 10.1016/j.bmc.2006.10.060 | ||
CHEMBL227851 | 92331 | 0 | None | -10 | 4 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 370 | 12 | 4 | 3 | 3.4 | CCCCCCCCc1ccc(NC(=O)[C@H](N)CCP(=O)(O)O)cc1 | 10.1016/j.bmc.2006.10.060 | ||
16737679 | 64136 | 0 | None | -70 | 2 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 415 | 6 | 1 | 3 | 5.3 | O=C(O)C1CN(Cc2ccc(-c3cc4cc(Cc5ccccc5)ccc4o3)c(F)c2)C1 | 10.1021/ml100227q | ||
CHEMBL1651717 | 64136 | 0 | None | -70 | 2 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 415 | 6 | 1 | 3 | 5.3 | O=C(O)C1CN(Cc2ccc(-c3cc4cc(Cc5ccccc5)ccc4o3)c(F)c2)C1 | 10.1021/ml100227q | ||
53324301 | 64769 | 0 | None | -1 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 415 | 6 | 1 | 4 | 4.3 | O=C(O)C1CN(Cc2ccc(-n3cc4ccc(Cc5ccccc5)cc4n3)c(F)c2)C1 | 10.1021/ml100228m | ||
CHEMBL1672557 | 64769 | 0 | None | -1 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 415 | 6 | 1 | 4 | 4.3 | O=C(O)C1CN(Cc2ccc(-n3cc4ccc(Cc5ccccc5)cc4n3)c(F)c2)C1 | 10.1021/ml100228m | ||
24825339 | 98541 | 0 | None | -6309 | 3 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 392 | 7 | 1 | 7 | 3.8 | Cc1nc(CCC(=O)O)ccc1-c1noc(-c2ccc(OC(C)C)c(C#N)c2)n1 | 10.1016/j.bmcl.2006.10.057 | ||
CHEMBL241052 | 98541 | 0 | None | -6309 | 3 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 392 | 7 | 1 | 7 | 3.8 | Cc1nc(CCC(=O)O)ccc1-c1noc(-c2ccc(OC(C)C)c(C#N)c2)n1 | 10.1016/j.bmcl.2006.10.057 | ||
11567535 | 111214 | 0 | None | -602 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 400 | 8 | 1 | 5 | 4.5 | COc1cc(OCCO)ccc1CCC(=O)c1sc(C)c2c1C[C@@H]1[C@H]2C1(C)C | 10.1021/jm4014373 | ||
CHEMBL3103662 | 111214 | 0 | None | -602 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 400 | 8 | 1 | 5 | 4.5 | COc1cc(OCCO)ccc1CCC(=O)c1sc(C)c2c1C[C@@H]1[C@H]2C1(C)C | 10.1021/jm4014373 | ||
44565715 | 187222 | 0 | None | -3 | 4 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 498 | 12 | 4 | 5 | 4.5 | C[C@](N)(COP(=O)(O)O)C(=O)Nc1ccc(OCCCCc2ccc(-c3ccccc3)cc2)cc1 | 10.1016/j.bmcl.2009.02.073 | ||
CHEMBL475253 | 187222 | 0 | None | -3 | 4 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 498 | 12 | 4 | 5 | 4.5 | C[C@](N)(COP(=O)(O)O)C(=O)Nc1ccc(OCCCCc2ccc(-c3ccccc3)cc2)cc1 | 10.1016/j.bmcl.2009.02.073 | ||
11222939 | 74349 | 9 | None | -4 | 4 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(CC[C@@](N)(CO)COP(=O)(O)O)cc1 | 10.1021/jm050242f | ||
44438254 | 74349 | 9 | None | -4 | 4 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(CC[C@@](N)(CO)COP(=O)(O)O)cc1 | 10.1021/jm050242f | ||
CHEMBL190006 | 74349 | 9 | None | -4 | 4 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(CC[C@@](N)(CO)COP(=O)(O)O)cc1 | 10.1021/jm050242f | ||
11853338 | 111498 | 0 | None | -263 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 425 | 8 | 0 | 4 | 5.7 | Cc1cc(CCC(=O)c2sc(C)c3c2C[C@@H]2[C@H]3C2(C)C)cc(C)c1OCCN(C)C | 10.1021/jm4014373 | ||
CHEMBL3105491 | 111498 | 0 | None | -263 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 425 | 8 | 0 | 4 | 5.7 | Cc1cc(CCC(=O)c2sc(C)c3c2C[C@@H]2[C@H]3C2(C)C)cc(C)c1OCCN(C)C | 10.1021/jm4014373 | ||
44565739 | 185739 | 0 | None | -33 | 4 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 459 | 12 | 4 | 5 | 4.2 | C[C@](N)(COP(=O)(O)O)c1nc(-c2ccc(OCCCCCc3ccccc3)cc2)c[nH]1 | 10.1016/j.bmcl.2009.02.073 | ||
CHEMBL470511 | 185739 | 0 | None | -33 | 4 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 459 | 12 | 4 | 5 | 4.2 | C[C@](N)(COP(=O)(O)O)c1nc(-c2ccc(OCCCCCc3ccccc3)cc2)c[nH]1 | 10.1016/j.bmcl.2009.02.073 | ||
69263869 | 111486 | 0 | None | -660 | 4 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 436 | 6 | 1 | 5 | 6.0 | CCc1cc(-c2noc(-c3sc(C)c4c3C[C@@H]3[C@H]4C3(C)C)n2)cc(C)c1CCC(=O)O | 10.1021/jm4014373 | ||
CHEMBL3105479 | 111486 | 0 | None | -660 | 4 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 436 | 6 | 1 | 5 | 6.0 | CCc1cc(-c2noc(-c3sc(C)c4c3C[C@@H]3[C@H]4C3(C)C)n2)cc(C)c1CCC(=O)O | 10.1021/jm4014373 | ||
53318125 | 64166 | 0 | None | -20 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 433 | 6 | 1 | 5 | 4.6 | O=C(O)C1CN(Cc2ccc(-c3nc4cc(Cc5ccccc5)cnc4s3)c(F)c2)C1 | 10.1021/ml100306h | ||
CHEMBL1651853 | 64166 | 0 | None | -20 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 433 | 6 | 1 | 5 | 4.6 | O=C(O)C1CN(Cc2ccc(-c3nc4cc(Cc5ccccc5)cnc4s3)c(F)c2)C1 | 10.1021/ml100306h | ||
68762699 | 112555 | 0 | None | -288 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 496 | 12 | 3 | 8 | 3.3 | CCc1cc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)cnc1CC(C)C | 10.1021/jm4014696 | ||
CHEMBL3126623 | 112555 | 0 | None | -288 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 496 | 12 | 3 | 8 | 3.3 | CCc1cc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)cnc1CC(C)C | 10.1021/jm4014696 | ||
57395262 | 78271 | 0 | None | -1071 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 409 | 8 | 1 | 3 | 4.6 | CC1=C(CN2CC(C(=O)O)C2)CCc2cc(OCCCc3ccccc3F)ccc21 | 10.1016/j.bmcl.2011.11.048 | ||
CHEMBL1935578 | 78271 | 0 | None | -1071 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 409 | 8 | 1 | 3 | 4.6 | CC1=C(CN2CC(C(=O)O)C2)CCc2cc(OCCCc3ccccc3F)ccc21 | 10.1016/j.bmcl.2011.11.048 | ||
CHEMBL1962545 | 78271 | 0 | None | -1071 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 409 | 8 | 1 | 3 | 4.6 | CC1=C(CN2CC(C(=O)O)C2)CCc2cc(OCCCc3ccccc3F)ccc21 | 10.1016/j.bmcl.2011.11.048 | ||
76318200 | 112562 | 0 | None | -741 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 454 | 10 | 3 | 8 | 2.6 | CCc1cc(-c2noc(-c3ccc(C(C)C)nc3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1021/jm4014696 | ||
CHEMBL3126630 | 112562 | 0 | None | -741 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 454 | 10 | 3 | 8 | 2.6 | CCc1cc(-c2noc(-c3ccc(C(C)C)nc3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1021/jm4014696 | ||
127046095 | 146566 | 0 | None | -9 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 524 | 14 | 3 | 8 | 3.7 | CCCCN(C)Cc1cc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)ccc1C | 10.1016/j.ejmech.2016.03.048 | ||
CHEMBL3798722 | 146566 | 0 | None | -9 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 524 | 14 | 3 | 8 | 3.7 | CCCCN(C)Cc1cc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)ccc1C | 10.1016/j.ejmech.2016.03.048 | ||
57402284 | 78268 | 0 | None | -26915 | 2 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 437 | 9 | 1 | 3 | 5.2 | CC[C@H](COc1ccc2c(c1)CCC(CN1CC(C(=O)O)C1)=C2C)Cc1ccc(F)cc1 | 10.1016/j.bmcl.2011.11.048 | ||
CHEMBL1935585 | 78268 | 0 | None | -26915 | 2 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 437 | 9 | 1 | 3 | 5.2 | CC[C@H](COc1ccc2c(c1)CCC(CN1CC(C(=O)O)C1)=C2C)Cc1ccc(F)cc1 | 10.1016/j.bmcl.2011.11.048 | ||
CHEMBL1962534 | 78268 | 0 | None | -26915 | 2 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 437 | 9 | 1 | 3 | 5.2 | CC[C@H](COc1ccc2c(c1)CCC(CN1CC(C(=O)O)C1)=C2C)Cc1ccc(F)cc1 | 10.1016/j.bmcl.2011.11.048 | ||
118716148 | 121660 | 0 | None | -19 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 443 | 9 | 4 | 7 | 2.6 | N#Cc1ccc(-c2nc(-c3ccc(CCC(N)(CO)COP(=O)(O)O)cc3)co2)cc1 | 10.1016/j.ejmech.2014.07.081 | ||
CHEMBL3341926 | 121660 | 0 | None | -19 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 443 | 9 | 4 | 7 | 2.6 | N#Cc1ccc(-c2nc(-c3ccc(CCC(N)(CO)COP(=O)(O)O)cc3)co2)cc1 | 10.1016/j.ejmech.2014.07.081 | ||
11452022 | 10368 | 39 | None | -19 | 6 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CC[C@@](COP(=O)(O)O)(CO)N | 10.1016/j.bmcl.2012.04.095 | ||
6996 | 10368 | 39 | None | -19 | 6 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CC[C@@](COP(=O)(O)O)(CO)N | 10.1016/j.bmcl.2012.04.095 | ||
CHEMBL366208 | 10368 | 39 | None | -19 | 6 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CC[C@@](COP(=O)(O)O)(CO)N | 10.1016/j.bmcl.2012.04.095 | ||
10883396 | 10421 | 45 | None | 1 | 15 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 10.1016/j.bmcl.2008.11.072 | ||
5283560 | 10421 | 45 | None | 1 | 15 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 10.1016/j.bmcl.2008.11.072 | ||
911 | 10421 | 45 | None | 1 | 15 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 10.1016/j.bmcl.2008.11.072 | ||
CHEMBL225155 | 10421 | 45 | None | 1 | 15 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 10.1016/j.bmcl.2008.11.072 | ||
11452022 | 10368 | 39 | None | -19 | 6 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CC[C@@](COP(=O)(O)O)(CO)N | 10.1021/jm050242f | ||
6996 | 10368 | 39 | None | -19 | 6 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CC[C@@](COP(=O)(O)O)(CO)N | 10.1021/jm050242f | ||
CHEMBL366208 | 10368 | 39 | None | -19 | 6 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CC[C@@](COP(=O)(O)O)(CO)N | 10.1021/jm050242f | ||
11452022 | 10368 | 39 | None | -19 | 6 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CC[C@@](COP(=O)(O)O)(CO)N | 10.1016/j.ejmech.2012.02.022 | ||
6996 | 10368 | 39 | None | -19 | 6 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CC[C@@](COP(=O)(O)O)(CO)N | 10.1016/j.ejmech.2012.02.022 | ||
CHEMBL366208 | 10368 | 39 | None | -19 | 6 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CC[C@@](COP(=O)(O)O)(CO)N | 10.1016/j.ejmech.2012.02.022 | ||
11452022 | 10368 | 39 | None | -19 | 6 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CC[C@@](COP(=O)(O)O)(CO)N | 10.1021/ml100301k | ||
6996 | 10368 | 39 | None | -19 | 6 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CC[C@@](COP(=O)(O)O)(CO)N | 10.1021/ml100301k | ||
CHEMBL366208 | 10368 | 39 | None | -19 | 6 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CC[C@@](COP(=O)(O)O)(CO)N | 10.1021/ml100301k | ||
44217654 | 146873 | 0 | None | -1 | 2 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 552 | 15 | 3 | 8 | 4.2 | CCCc1cc(CN(C)CC(C)C)cc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)c1 | 10.1016/j.ejmech.2016.03.048 | ||
CHEMBL3800604 | 146873 | 0 | None | -1 | 2 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 552 | 15 | 3 | 8 | 4.2 | CCCc1cc(CN(C)CC(C)C)cc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)c1 | 10.1016/j.ejmech.2016.03.048 | ||
2924 | 8421 | 43 | None | -10 | 7 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N | 10.1021/acsmedchemlett.5b00448 | ||
44398069 | 8421 | 43 | None | -10 | 7 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N | 10.1021/acsmedchemlett.5b00448 | ||
9908268 | 8421 | 43 | None | -10 | 7 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N | 10.1021/acsmedchemlett.5b00448 | ||
CHEMBL114606 | 8421 | 43 | None | -10 | 7 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N | 10.1021/acsmedchemlett.5b00448 | ||
76314621 | 112520 | 0 | None | -18 | 2 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 510 | 13 | 3 | 8 | 4.0 | CCc1cc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)cc(C(CC)CC)n1 | 10.1021/jm4014696 | ||
CHEMBL3126587 | 112520 | 0 | None | -18 | 2 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 510 | 13 | 3 | 8 | 4.0 | CCc1cc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)cc(C(CC)CC)n1 | 10.1021/jm4014696 | ||
2924 | 8421 | 43 | None | -10 | 7 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N | 10.1021/acs.jmedchem.0c01109 | ||
44398069 | 8421 | 43 | None | -10 | 7 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N | 10.1021/acs.jmedchem.0c01109 | ||
9908268 | 8421 | 43 | None | -10 | 7 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N | 10.1021/acs.jmedchem.0c01109 | ||
CHEMBL114606 | 8421 | 43 | None | -10 | 7 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N | 10.1021/acs.jmedchem.0c01109 | ||
76322116 | 112859 | 0 | None | 54 | 2 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 421 | 12 | 4 | 4 | 3.2 | CCc1ccc(CCCc2ccc(CCC(N)(CO)COP(=O)(O)O)cc2)cc1 | 10.1039/C3MD00079F | ||
CHEMBL3133607 | 112859 | 0 | None | 54 | 2 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 421 | 12 | 4 | 4 | 3.2 | CCc1ccc(CCCc2ccc(CCC(N)(CO)COP(=O)(O)O)cc2)cc1 | 10.1039/C3MD00079F | ||
10883396 | 10421 | 45 | None | 1 | 15 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 10.1021/ml400194r | ||
5283560 | 10421 | 45 | None | 1 | 15 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 10.1021/ml400194r | ||
911 | 10421 | 45 | None | 1 | 15 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 10.1021/ml400194r | ||
CHEMBL225155 | 10421 | 45 | None | 1 | 15 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 10.1021/ml400194r | ||
44218604 | 112540 | 0 | None | -100 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 511 | 13 | 3 | 9 | 2.9 | CCc1cc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)cnc1N(CC)CC | 10.1021/jm4014696 | ||
CHEMBL3126608 | 112540 | 0 | None | -100 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 511 | 13 | 3 | 9 | 2.9 | CCc1cc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)cnc1N(CC)CC | 10.1021/jm4014696 | ||
45377662 | 90892 | 0 | None | -1000 | 4 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 468 | 9 | 1 | 6 | 4.3 | CCCCN(C(=O)c1ccccc1F)c1nnc(-c2ccc(CN3CC(C(=O)O)C3)cc2)s1 | 10.1016/j.bmcl.2012.09.110 | ||
CHEMBL2207778 | 90892 | 0 | None | -1000 | 4 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 468 | 9 | 1 | 6 | 4.3 | CCCCN(C(=O)c1ccccc1F)c1nnc(-c2ccc(CN3CC(C(=O)O)C3)cc2)s1 | 10.1016/j.bmcl.2012.09.110 | ||
58390859 | 90904 | 0 | None | -338 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 484 | 9 | 1 | 6 | 4.8 | CCCCN(C(=O)c1ccccc1Cl)c1nnc(-c2ccc(CN3CC(C(=O)O)C3)cc2)s1 | 10.1016/j.bmcl.2012.09.110 | ||
CHEMBL2207791 | 90904 | 0 | None | -338 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 484 | 9 | 1 | 6 | 4.8 | CCCCN(C(=O)c1ccccc1Cl)c1nnc(-c2ccc(CN3CC(C(=O)O)C3)cc2)s1 | 10.1016/j.bmcl.2012.09.110 | ||
46866185 | 14104 | 0 | None | -15 | 4 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 321 | 12 | 2 | 3 | 4.2 | CCCCCCCOc1ccc(CC[C@](C)(N)CC(=O)O)cc1 | 10.1016/j.bmcl.2010.01.118 | ||
CHEMBL1086172 | 14104 | 0 | None | -15 | 4 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 321 | 12 | 2 | 3 | 4.2 | CCCCCCCOc1ccc(CC[C@](C)(N)CC(=O)O)cc1 | 10.1016/j.bmcl.2010.01.118 | ||
57394952 | 77680 | 0 | None | -144 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 447 | 7 | 1 | 7 | 5.1 | Cc1cc(-c2nc(-c3csc(CN4CC(C(=O)O)C4)c3)no2)ccc1Oc1ccccc1 | 10.1016/j.bmcl.2011.12.019 | ||
CHEMBL1951158 | 77680 | 0 | None | -144 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 447 | 7 | 1 | 7 | 5.1 | Cc1cc(-c2nc(-c3csc(CN4CC(C(=O)O)C4)c3)no2)ccc1Oc1ccccc1 | 10.1016/j.bmcl.2011.12.019 | ||
23121172 | 70209 | 0 | None | -301 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 367 | 12 | 2 | 3 | 4.6 | C/C(=C\c1ccc(OCCCCc2ccccc2)cc1)CNCCC(=O)O | 10.1016/j.bmcl.2011.05.029 | ||
CHEMBL1797506 | 70209 | 0 | None | -301 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 367 | 12 | 2 | 3 | 4.6 | C/C(=C\c1ccc(OCCCCc2ccccc2)cc1)CNCCC(=O)O | 10.1016/j.bmcl.2011.05.029 | ||
57570487 | 94384 | 0 | None | -199 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 460 | 10 | 2 | 5 | 5.5 | C/C(=N\OCc1ccc(-c2ccco2)c(C(F)(F)F)c1)c1ccc(CNCCC(=O)O)cc1 | 10.1021/ml300396r | ||
CHEMBL2336083 | 94384 | 0 | None | -199 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 460 | 10 | 2 | 5 | 5.5 | C/C(=N\OCc1ccc(-c2ccco2)c(C(F)(F)F)c1)c1ccc(CNCCC(=O)O)cc1 | 10.1021/ml300396r | ||
118716178 | 121675 | 0 | None | -23 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 448 | 10 | 4 | 8 | 1.7 | COc1ccc(-n2cc(-c3ccc(CCC(N)(CO)COP(=O)(O)O)cc3)nn2)cc1 | 10.1016/j.ejmech.2014.07.081 | ||
CHEMBL3342003 | 121675 | 0 | None | -23 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 448 | 10 | 4 | 8 | 1.7 | COc1ccc(-n2cc(-c3ccc(CCC(N)(CO)COP(=O)(O)O)cc3)nn2)cc1 | 10.1016/j.ejmech.2014.07.081 | ||
76322119 | 112864 | 0 | None | -4 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 423 | 12 | 4 | 5 | 3.6 | CCCCc1ccc(Oc2ccc(CCC(N)(CO)COP(=O)(O)O)cc2)cc1 | 10.1039/C3MD00079F | ||
CHEMBL3133612 | 112864 | 0 | None | -4 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 423 | 12 | 4 | 5 | 3.6 | CCCCc1ccc(Oc2ccc(CCC(N)(CO)COP(=O)(O)O)cc2)cc1 | 10.1039/C3MD00079F | ||
46236272 | 15370 | 0 | None | 1 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 398 | 3 | 1 | 4 | 5.5 | O=C1/C(=C/c2ccc(O)c(Cl)c2)S/C(=N\C2CCCC2)N1c1ccccc1 | 10.1021/jm100181s | ||
CHEMBL1094834 | 15370 | 0 | None | 1 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 398 | 3 | 1 | 4 | 5.5 | O=C1/C(=C/c2ccc(O)c(Cl)c2)S/C(=N\C2CCCC2)N1c1ccccc1 | 10.1021/jm100181s | ||
46236517 | 15787 | 0 | None | -1 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 400 | 3 | 1 | 4 | 5.5 | Cc1cccc(C)c1N1C(=O)/C(=C/c2ccc(O)c(Cl)c2)S/C1=N\C(C)C | 10.1021/jm100181s | ||
CHEMBL1098467 | 15787 | 0 | None | -1 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 400 | 3 | 1 | 4 | 5.5 | Cc1cccc(C)c1N1C(=O)/C(=C/c2ccc(O)c(Cl)c2)S/C1=N\C(C)C | 10.1021/jm100181s | ||
25072410 | 112526 | 0 | None | -162 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 495 | 10 | 3 | 9 | 2.4 | CCc1cc(-c2noc(-c3cc(C)nc(N4CCCC4)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1021/jm4014696 | ||
CHEMBL3126593 | 112526 | 0 | None | -162 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 495 | 10 | 3 | 9 | 2.4 | CCc1cc(-c2noc(-c3cc(C)nc(N4CCCC4)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1021/jm4014696 | ||
76329076 | 112544 | 0 | None | -707 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 482 | 11 | 3 | 8 | 3.0 | CCc1cc(-c2noc(-c3ccc(CC(C)C)c(C)n3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1021/jm4014696 | ||
CHEMBL3126612 | 112544 | 0 | None | -707 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 482 | 11 | 3 | 8 | 3.0 | CCc1cc(-c2noc(-c3ccc(CC(C)C)c(C)n3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1021/jm4014696 | ||
11678855 | 141221 | 0 | None | -31 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 607 | 21 | 4 | 10 | 5.9 | C[C@@](N)(CCc1ccc(OCCCCCCCCCCCNc2ccc([N+](=O)[O-])c3nonc23)cc1)COP(=O)(O)O | 10.1016/j.bmcl.2005.09.038 | ||
CHEMBL371758 | 141221 | 0 | None | -31 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 607 | 21 | 4 | 10 | 5.9 | C[C@@](N)(CCc1ccc(OCCCCCCCCCCCNc2ccc([N+](=O)[O-])c3nonc23)cc1)COP(=O)(O)O | 10.1016/j.bmcl.2005.09.038 | ||
46236273 | 15292 | 0 | None | 1 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 412 | 3 | 1 | 4 | 5.9 | O=C1/C(=C/c2ccc(O)c(Cl)c2)S/C(=N\C2CCCCC2)N1c1ccccc1 | 10.1021/jm100181s | ||
CHEMBL1094193 | 15292 | 0 | None | 1 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 412 | 3 | 1 | 4 | 5.9 | O=C1/C(=C/c2ccc(O)c(Cl)c2)S/C(=N\C2CCCCC2)N1c1ccccc1 | 10.1021/jm100181s | ||
25032056 | 112513 | 0 | None | -776 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 468 | 11 | 3 | 8 | 2.8 | CCCc1cc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)cc(C)n1 | 10.1021/jm4014696 | ||
CHEMBL3126435 | 112513 | 0 | None | -776 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 468 | 11 | 3 | 8 | 2.8 | CCCc1cc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)cc(C)n1 | 10.1021/jm4014696 | ||
46195467 | 156136 | 0 | None | -17 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 482 | 12 | 3 | 9 | 3.0 | CCCOc1ccc(-c2nc(-c3cccc4c3CCN4CC(N)(CO)CO)no2)cc1OCCC | nan | ||
CHEMBL3945262 | 156136 | 0 | None | -17 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 482 | 12 | 3 | 9 | 3.0 | CCCOc1ccc(-c2nc(-c3cccc4c3CCN4CC(N)(CO)CO)no2)cc1OCCC | nan | ||
46881876 | 12373 | 0 | None | -12 | 3 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 335 | 13 | 2 | 3 | 4.6 | CCCCCCCOc1ccc(CC[C@](C)(N)CCC(=O)O)cc1 | 10.1016/j.bmcl.2010.01.118 | ||
CHEMBL1077288 | 12373 | 0 | None | -12 | 3 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 335 | 13 | 2 | 3 | 4.6 | CCCCCCCOc1ccc(CC[C@](C)(N)CCC(=O)O)cc1 | 10.1016/j.bmcl.2010.01.118 | ||
127046992 | 146814 | 0 | None | -61 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 508 | 11 | 3 | 8 | 3.0 | CCc1cc(-c2noc(-c3ccc(CN4CCCC4)c(C)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1016/j.ejmech.2016.03.048 | ||
CHEMBL3800230 | 146814 | 0 | None | -61 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 508 | 11 | 3 | 8 | 3.0 | CCc1cc(-c2noc(-c3ccc(CN4CCCC4)c(C)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1016/j.ejmech.2016.03.048 | ||
44547414 | 75118 | 0 | None | -2398 | 6 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 499 | 5 | 1 | 5 | 5.2 | O=C(O)CCC(=O)N1CCc2cc(-c3noc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)n3)ccc21 | 10.1016/j.bmcl.2011.05.110 | ||
CHEMBL1916559 | 75118 | 0 | None | -2398 | 6 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 499 | 5 | 1 | 5 | 5.2 | O=C(O)CCC(=O)N1CCc2cc(-c3noc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)n3)ccc21 | 10.1016/j.bmcl.2011.05.110 | ||
11852848 | 112344 | 0 | None | -186 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 499 | 9 | 3 | 8 | 3.7 | CCc1cc(-c2noc(-c3scc4c3CCC(C)(C)C4)n2)cc(C)c1OCC(O)CNC(=O)CO | 10.1021/jm401456d | ||
CHEMBL3121999 | 112344 | 0 | None | -186 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 499 | 9 | 3 | 8 | 3.7 | CCc1cc(-c2noc(-c3scc4c3CCC(C)(C)C4)n2)cc(C)c1OCC(O)CNC(=O)CO | 10.1021/jm401456d | ||
54576289 | 83224 | 0 | None | -12589 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 519 | 9 | 1 | 6 | 5.8 | CCc1c(CCN2CC(C(=O)O)C2)cccc1-c1nsc(-c2ccc(OC(C)C)c(C(F)(F)F)c2)n1 | 10.1021/jm2016107 | ||
CHEMBL2059688 | 83224 | 0 | None | -12589 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 519 | 9 | 1 | 6 | 5.8 | CCc1c(CCN2CC(C(=O)O)C2)cccc1-c1nsc(-c2ccc(OC(C)C)c(C(F)(F)F)c2)n1 | 10.1021/jm2016107 | ||
57505996 | 123196 | 1 | None | -7943 | 2 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 360 | 4 | 1 | 6 | 3.7 | CC(C)Oc1ccc(-c2nc(-c3ccc4c(c3)CCNC4)no2)cc1C#N | 10.1021/jm5010336 | ||
CHEMBL3360364 | 123196 | 1 | None | -7943 | 2 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 360 | 4 | 1 | 6 | 3.7 | CC(C)Oc1ccc(-c2nc(-c3ccc4c(c3)CCNC4)no2)cc1C#N | 10.1021/jm5010336 | ||
46236806 | 15501 | 0 | None | 3 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 322 | 3 | 0 | 3 | 4.6 | CC(C)/N=C1\S/C(=C\c2ccccc2)C(=O)N1c1ccccc1 | 10.1021/jm100181s | ||
CHEMBL1095987 | 15501 | 0 | None | 3 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 322 | 3 | 0 | 3 | 4.6 | CC(C)/N=C1\S/C(=C\c2ccccc2)C(=O)N1c1ccccc1 | 10.1021/jm100181s | ||
68763522 | 112565 | 0 | None | -316 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 482 | 11 | 3 | 8 | 3.0 | CCc1cc(-c2noc(-c3cnc(CC(C)C)c(C)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1021/jm4014696 | ||
CHEMBL3126633 | 112565 | 0 | None | -316 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 482 | 11 | 3 | 8 | 3.0 | CCc1cc(-c2noc(-c3cnc(CC(C)C)c(C)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1021/jm4014696 | ||
24784418 | 112558 | 0 | None | -446 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 473 | 11 | 3 | 8 | 3.4 | CCc1cc(-c2noc(-c3ccc(CC(C)C)s3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1021/jm4014696 | ||
CHEMBL3126626 | 112558 | 0 | None | -446 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 473 | 11 | 3 | 8 | 3.4 | CCc1cc(-c2noc(-c3ccc(CC(C)C)s3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1021/jm4014696 | ||
11315809 | 78432 | 0 | None | -3801 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 409 | 8 | 1 | 3 | 4.6 | CC1=C(CN2CC(C(=O)O)C2)CCc2cc(OCCCc3ccc(F)cc3)ccc21 | 10.1016/j.bmcl.2011.11.048 | ||
CHEMBL1935576 | 78432 | 0 | None | -3801 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 409 | 8 | 1 | 3 | 4.6 | CC1=C(CN2CC(C(=O)O)C2)CCc2cc(OCCCc3ccc(F)cc3)ccc21 | 10.1016/j.bmcl.2011.11.048 | ||
CHEMBL1963630 | 78432 | 0 | None | -3801 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 409 | 8 | 1 | 3 | 4.6 | CC1=C(CN2CC(C(=O)O)C2)CCc2cc(OCCCc3ccc(F)cc3)ccc21 | 10.1016/j.bmcl.2011.11.048 | ||
57570476 | 94372 | 0 | None | -1995 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 502 | 8 | 1 | 4 | 6.5 | C/C(=N\OCc1ccc(C2CCCCC2)c(C(F)(F)F)c1)c1ccc(CN2CC(C(=O)O)C2)c(C)c1 | 10.1021/ml300396r | ||
CHEMBL2336070 | 94372 | 0 | None | -1995 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 502 | 8 | 1 | 4 | 6.5 | C/C(=N\OCc1ccc(C2CCCCC2)c(C(F)(F)F)c1)c1ccc(CN2CC(C(=O)O)C2)c(C)c1 | 10.1021/ml300396r | ||
44217170 | 146526 | 0 | None | -446 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 482 | 11 | 3 | 8 | 2.5 | CCc1cc(-c2noc(-c3ccc(CN(C)C)c(C)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1016/j.ejmech.2016.03.048 | ||
CHEMBL3798420 | 146526 | 0 | None | -446 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 482 | 11 | 3 | 8 | 2.5 | CCc1cc(-c2noc(-c3ccc(CN(C)C)c(C)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1016/j.ejmech.2016.03.048 | ||
25182776 | 154456 | 0 | None | -17 | 2 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 365 | 4 | 2 | 5 | 3.0 | CN(c1cc(C(=O)Nc2ccc3c(c2)CC(=O)N3)ncn1)C1CCCCC1 | nan | ||
CHEMBL3931810 | 154456 | 0 | None | -17 | 2 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 365 | 4 | 2 | 5 | 3.0 | CN(c1cc(C(=O)Nc2ccc3c(c2)CC(=O)N3)ncn1)C1CCCCC1 | nan | ||
25182901 | 12801 | 0 | None | -537 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 404 | 6 | 2 | 5 | 4.5 | Cc1cc2[nH]ncc2cc1NC(=O)c1cc(N(CC2CC2)C2CCCCC2)ncn1 | nan | ||
CHEMBL1080382 | 12801 | 0 | None | -537 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 404 | 6 | 2 | 5 | 4.5 | Cc1cc2[nH]ncc2cc1NC(=O)c1cc(N(CC2CC2)C2CCCCC2)ncn1 | nan | ||
25182901 | 12801 | 0 | None | -537 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 404 | 6 | 2 | 5 | 4.5 | Cc1cc2[nH]ncc2cc1NC(=O)c1cc(N(CC2CC2)C2CCCCC2)ncn1 | 10.1016/j.bmcl.2010.01.102 | ||
CHEMBL1080382 | 12801 | 0 | None | -537 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 404 | 6 | 2 | 5 | 4.5 | Cc1cc2[nH]ncc2cc1NC(=O)c1cc(N(CC2CC2)C2CCCCC2)ncn1 | 10.1016/j.bmcl.2010.01.102 | ||
68555865 | 112514 | 0 | None | -331 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 482 | 11 | 3 | 8 | 3.0 | CCc1cc(-c2noc(-c3cc(C)nc(CC(C)C)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1021/jm4014696 | ||
CHEMBL3126436 | 112514 | 0 | None | -331 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 482 | 11 | 3 | 8 | 3.0 | CCc1cc(-c2noc(-c3cc(C)nc(CC(C)C)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1021/jm4014696 | ||
59446971 | 160845 | 0 | None | -173 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 501 | 11 | 2 | 7 | 3.5 | COCCNS(=O)(=O)c1ccc(NC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)c(C)c1 | nan | ||
CHEMBL3984678 | 160845 | 0 | None | -173 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 501 | 11 | 2 | 7 | 3.5 | COCCNS(=O)(=O)c1ccc(NC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)c(C)c1 | nan | ||
11313781 | 65219 | 0 | None | -47 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 339 | 11 | 2 | 3 | 3.8 | O=C(O)CCNC/C=C/c1ccc(OCCCc2ccccc2)cc1 | 10.1016/j.bmcl.2011.01.029 | ||
11313781 | 65219 | 0 | None | -47 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 339 | 11 | 2 | 3 | 3.8 | O=C(O)CCNC/C=C/c1ccc(OCCCc2ccccc2)cc1 | 10.1016/j.bmcl.2011.05.029 | ||
CHEMBL1683045 | 65219 | 0 | None | -47 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 339 | 11 | 2 | 3 | 3.8 | O=C(O)CCNC/C=C/c1ccc(OCCCc2ccccc2)cc1 | 10.1016/j.bmcl.2011.01.029 | ||
CHEMBL1683045 | 65219 | 0 | None | -47 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 339 | 11 | 2 | 3 | 3.8 | O=C(O)CCNC/C=C/c1ccc(OCCCc2ccccc2)cc1 | 10.1016/j.bmcl.2011.05.029 | ||
11371585 | 70207 | 0 | None | -77 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 351 | 9 | 1 | 3 | 3.7 | O=C(O)C1CN(C/C=C/c2ccc(OCCCc3ccccc3)cc2)C1 | 10.1016/j.bmcl.2011.05.029 | ||
CHEMBL1797504 | 70207 | 0 | None | -77 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 351 | 9 | 1 | 3 | 3.7 | O=C(O)C1CN(C/C=C/c2ccc(OCCCc3ccccc3)cc2)C1 | 10.1016/j.bmcl.2011.05.029 | ||
46236520 | 15672 | 0 | None | -2 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 400 | 4 | 1 | 4 | 5.5 | CCc1ccccc1N1C(=O)/C(=C/c2ccc(O)c(Cl)c2)S/C1=N\C(C)C | 10.1021/jm100181s | ||
CHEMBL1097537 | 15672 | 0 | None | -2 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 400 | 4 | 1 | 4 | 5.5 | CCc1ccccc1N1C(=O)/C(=C/c2ccc(O)c(Cl)c2)S/C1=N\C(C)C | 10.1021/jm100181s | ||
46236810 | 15746 | 0 | None | -1 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 368 | 4 | 1 | 5 | 4.3 | COc1cc(/C=C2\S/C(=N\C(C)C)N(c3ccccc3)C2=O)ccc1O | 10.1021/jm100181s | ||
CHEMBL1098200 | 15746 | 0 | None | -1 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 368 | 4 | 1 | 5 | 4.3 | COc1cc(/C=C2\S/C(=N\C(C)C)N(c3ccccc3)C2=O)ccc1O | 10.1021/jm100181s | ||
44412994 | 85095 | 0 | None | -3388 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 499 | 7 | 1 | 6 | 5.5 | Cc1cc(CCC(=O)O)ccc1-c1noc(-c2ccc(OC(C(F)(F)F)C(F)(F)F)c(C#N)c2)n1 | 10.1016/j.bmcl.2006.04.084 | ||
CHEMBL210942 | 85095 | 0 | None | -3388 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 499 | 7 | 1 | 6 | 5.5 | Cc1cc(CCC(=O)O)ccc1-c1noc(-c2ccc(OC(C(F)(F)F)C(F)(F)F)c(C#N)c2)n1 | 10.1016/j.bmcl.2006.04.084 | ||
118707198 | 119822 | 0 | None | -154 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 463 | 12 | 3 | 5 | 4.2 | Cc1ccc(CCCC(=O)c2cc(C)c(COC[C@@](C)(N)COP(=O)(O)O)c(C)c2)cc1 | 10.1016/j.bmc.2014.05.035 | ||
CHEMBL3311353 | 119822 | 0 | None | -154 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 463 | 12 | 3 | 5 | 4.2 | Cc1ccc(CCCC(=O)c2cc(C)c(COC[C@@](C)(N)COP(=O)(O)O)c(C)c2)cc1 | 10.1016/j.bmc.2014.05.035 | ||
11854090 | 111465 | 0 | None | -776 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 455 | 9 | 2 | 5 | 4.3 | Cc1cc(CCC(=O)c2sc(C)c3c2C[C@@H]2[C@H]3C2(C)C)cc(C)c1OCC(=O)NCCO | 10.1021/jm4014373 | ||
CHEMBL3105245 | 111465 | 0 | None | -776 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 455 | 9 | 2 | 5 | 4.3 | Cc1cc(CCC(=O)c2sc(C)c3c2C[C@@H]2[C@H]3C2(C)C)cc(C)c1OCC(=O)NCCO | 10.1021/jm4014373 | ||
16737507 | 64135 | 0 | None | -8 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 415 | 6 | 1 | 3 | 5.3 | O=C(O)C1CN(Cc2ccc(-c3cc4cc(Cc5ccccc5)ccc4o3)cc2F)C1 | 10.1021/ml100227q | ||
CHEMBL1651716 | 64135 | 0 | None | -8 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 415 | 6 | 1 | 3 | 5.3 | O=C(O)C1CN(Cc2ccc(-c3cc4cc(Cc5ccccc5)ccc4o3)cc2F)C1 | 10.1021/ml100227q | ||
46224767 | 206077 | 0 | None | -48 | 4 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 293 | 2 | 0 | 4 | 3.2 | Cc1nn(C(=O)/C=C/c2ccncc2)c2c1[C@H]1[C@@H](C2)C1(C)C | 10.1016/j.bmcl.2009.11.045 | ||
CHEMBL590383 | 206077 | 0 | None | -48 | 4 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 293 | 2 | 0 | 4 | 3.2 | Cc1nn(C(=O)/C=C/c2ccncc2)c2c1[C@H]1[C@@H](C2)C1(C)C | 10.1016/j.bmcl.2009.11.045 | ||
53324746 | 64167 | 0 | None | -15 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 432 | 6 | 1 | 4 | 5.2 | O=C(O)C1CN(Cc2ccc(-c3nc4ccc(Cc5ccccc5)cc4s3)c(F)c2)C1 | 10.1021/ml100228m | ||
CHEMBL1651854 | 64167 | 0 | None | -15 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 432 | 6 | 1 | 4 | 5.2 | O=C(O)C1CN(Cc2ccc(-c3nc4ccc(Cc5ccccc5)cc4s3)c(F)c2)C1 | 10.1021/ml100228m | ||
51346934 | 64770 | 32 | None | -83 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 450 | 6 | 1 | 4 | 5.3 | O=C(O)C1CN(Cc2ccc(-c3nc4cc(Cc5ccccc5F)ccc4s3)c(F)c2)C1 | 10.1021/ml100228m | ||
CHEMBL1672558 | 64770 | 32 | None | -83 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 450 | 6 | 1 | 4 | 5.3 | O=C(O)C1CN(Cc2ccc(-c3nc4cc(Cc5ccccc5F)ccc4s3)c(F)c2)C1 | 10.1021/ml100228m | ||
53324746 | 64167 | 0 | None | -15 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 432 | 6 | 1 | 4 | 5.2 | O=C(O)C1CN(Cc2ccc(-c3nc4ccc(Cc5ccccc5)cc4s3)c(F)c2)C1 | 10.1021/ml100306h | ||
CHEMBL1651854 | 64167 | 0 | None | -15 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 432 | 6 | 1 | 4 | 5.2 | O=C(O)C1CN(Cc2ccc(-c3nc4ccc(Cc5ccccc5)cc4s3)c(F)c2)C1 | 10.1021/ml100306h | ||
72793790 | 111487 | 0 | None | -100 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 527 | 13 | 3 | 6 | 5.1 | Cc1cc(CCC(=O)c2sc(C)c3c2C[C@@H]2[C@H]3C2(C)C)cc(C)c1OCCCNC(CC(=O)O)C(=O)O | 10.1021/jm4014373 | ||
CHEMBL3105480 | 111487 | 0 | None | -100 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 527 | 13 | 3 | 6 | 5.1 | Cc1cc(CCC(=O)c2sc(C)c3c2C[C@@H]2[C@H]3C2(C)C)cc(C)c1OCCCNC(CC(=O)O)C(=O)O | 10.1021/jm4014373 | ||
76318445 | 112853 | 0 | None | -12 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 496 | 11 | 4 | 7 | 4.1 | CCc1nc(-c2ccc(Oc3ccc(CCC(N)(CO)COP(=O)(O)O)c(Cl)c3)cc2)co1 | 10.1039/C3MD00079F | ||
CHEMBL3133601 | 112853 | 0 | None | -12 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 496 | 11 | 4 | 7 | 4.1 | CCc1nc(-c2ccc(Oc3ccc(CCC(N)(CO)COP(=O)(O)O)c(Cl)c3)cc2)co1 | 10.1039/C3MD00079F | ||
46236932 | 15825 | 0 | None | 5 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 352 | 4 | 0 | 4 | 4.6 | COc1cccc(/C=C2\S/C(=N\C(C)C)N(c3ccccc3)C2=O)c1 | 10.1021/jm100181s | ||
CHEMBL1098770 | 15825 | 0 | None | 5 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 352 | 4 | 0 | 4 | 4.6 | COc1cccc(/C=C2\S/C(=N\C(C)C)N(c3ccccc3)C2=O)c1 | 10.1021/jm100181s | ||
2924 | 8421 | 43 | None | -10 | 7 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N | 10.1016/j.ejmech.2014.07.081 | ||
44398069 | 8421 | 43 | None | -10 | 7 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N | 10.1016/j.ejmech.2014.07.081 | ||
9908268 | 8421 | 43 | None | -10 | 7 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N | 10.1016/j.ejmech.2014.07.081 | ||
CHEMBL114606 | 8421 | 43 | None | -10 | 7 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N | 10.1016/j.ejmech.2014.07.081 | ||
11676168 | 77725 | 12 | None | -316 | 4 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 422 | 11 | 3 | 5 | 3.3 | Cc1ccc(CCCC(=O)c2ccc(CC[C@@](C)(N)COP(=O)(O)O)n2C)cc1 | 10.1016/j.ejmech.2012.02.022 | ||
CHEMBL1951588 | 77725 | 12 | None | -316 | 4 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 422 | 11 | 3 | 5 | 3.3 | Cc1ccc(CCCC(=O)c2ccc(CC[C@@](C)(N)COP(=O)(O)O)n2C)cc1 | 10.1016/j.ejmech.2012.02.022 | ||
11676168 | 77725 | 12 | None | -316 | 4 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 422 | 11 | 3 | 5 | 3.3 | Cc1ccc(CCCC(=O)c2ccc(CC[C@@](C)(N)COP(=O)(O)O)n2C)cc1 | 10.1021/ml100301k | ||
CHEMBL1951588 | 77725 | 12 | None | -316 | 4 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 422 | 11 | 3 | 5 | 3.3 | Cc1ccc(CCCC(=O)c2ccc(CC[C@@](C)(N)COP(=O)(O)O)n2C)cc1 | 10.1021/ml100301k | ||
46236518 | 15670 | 0 | None | -4 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 400 | 3 | 1 | 4 | 5.5 | Cc1cccc(N2C(=O)/C(=C/c3ccc(O)c(Cl)c3)S/C2=N\C(C)C)c1C | 10.1021/jm100181s | ||
CHEMBL1097535 | 15670 | 0 | None | -4 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 400 | 3 | 1 | 4 | 5.5 | Cc1cccc(N2C(=O)/C(=C/c3ccc(O)c(Cl)c3)S/C2=N\C(C)C)c1C | 10.1021/jm100181s | ||
44219528 | 146475 | 0 | None | -66 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 524 | 14 | 3 | 8 | 3.7 | CCCCN(C)Cc1ccc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)cc1C | 10.1016/j.ejmech.2016.03.048 | ||
CHEMBL3798068 | 146475 | 0 | None | -66 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 524 | 14 | 3 | 8 | 3.7 | CCCCN(C)Cc1ccc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)cc1C | 10.1016/j.ejmech.2016.03.048 | ||
25074253 | 112525 | 15 | None | -575 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 497 | 12 | 3 | 9 | 2.7 | CCc1cc(-c2noc(-c3cc(C)nc(N(CC)CC)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1016/j.ejmech.2016.03.020 | ||
CHEMBL3126592 | 112525 | 15 | None | -575 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 497 | 12 | 3 | 9 | 2.7 | CCc1cc(-c2noc(-c3cc(C)nc(N(CC)CC)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1016/j.ejmech.2016.03.020 | ||
67172039 | 155769 | 0 | None | -3235 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 484 | 6 | 1 | 4 | 5.8 | CC(C)Cc1ccc(-c2onc3c2CCc2cc(CN4CC(C(=O)O)C4)ccc2-3)cc1C(F)(F)F | nan | ||
CHEMBL3942289 | 155769 | 0 | None | -3235 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 484 | 6 | 1 | 4 | 5.8 | CC(C)Cc1ccc(-c2onc3c2CCc2cc(CN4CC(C(=O)O)C4)ccc2-3)cc1C(F)(F)F | nan | ||
25074253 | 112525 | 15 | None | -575 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 497 | 12 | 3 | 9 | 2.7 | CCc1cc(-c2noc(-c3cc(C)nc(N(CC)CC)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1021/jm4014696 | ||
CHEMBL3126592 | 112525 | 15 | None | -575 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 497 | 12 | 3 | 9 | 2.7 | CCc1cc(-c2noc(-c3cc(C)nc(N(CC)CC)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1021/jm4014696 | ||
53322715 | 64763 | 0 | None | -1 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 416 | 6 | 1 | 4 | 4.7 | O=C(O)C1CN(Cc2ccc(-c3nc4cc(Cc5ccccc5)ccc4o3)c(F)c2)C1 | 10.1021/ml100228m | ||
CHEMBL1672550 | 64763 | 0 | None | -1 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 416 | 6 | 1 | 4 | 4.7 | O=C(O)C1CN(Cc2ccc(-c3nc4cc(Cc5ccccc5)ccc4o3)c(F)c2)C1 | 10.1021/ml100228m | ||
118716143 | 121655 | 0 | None | -32 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 486 | 9 | 4 | 6 | 3.8 | NC(CO)(CCc1ccc(-c2coc(-c3ccc(C(F)(F)F)cc3)n2)cc1)COP(=O)(O)O | 10.1016/j.ejmech.2014.07.081 | ||
CHEMBL3341921 | 121655 | 0 | None | -32 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 486 | 9 | 4 | 6 | 3.8 | NC(CO)(CCc1ccc(-c2coc(-c3ccc(C(F)(F)F)cc3)n2)cc1)COP(=O)(O)O | 10.1016/j.ejmech.2014.07.081 | ||
127045963 | 146611 | 0 | None | -26 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 530 | 13 | 3 | 9 | 3.6 | CCCN(C)Cc1sc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)c(C)c1C | 10.1016/j.ejmech.2016.03.048 | ||
CHEMBL3799029 | 146611 | 0 | None | -26 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 530 | 13 | 3 | 9 | 3.6 | CCCN(C)Cc1sc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)c(C)c1C | 10.1016/j.ejmech.2016.03.048 | ||
76318196 | 112538 | 0 | None | -446 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 482 | 12 | 3 | 8 | 3.1 | CCc1cc(-c2noc(-c3ccnc(CCC(C)C)c3)n2)cc(C)c1OCC(O)CNC(=O)CO | 10.1021/jm4014696 | ||
CHEMBL3126606 | 112538 | 0 | None | -446 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 482 | 12 | 3 | 8 | 3.1 | CCc1cc(-c2noc(-c3ccnc(CCC(C)C)c3)n2)cc(C)c1OCC(O)CNC(=O)CO | 10.1021/jm4014696 | ||
127046551 | 146474 | 0 | None | -1 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 510 | 11 | 3 | 9 | 3.1 | CCc1cc(-c2noc(-c3cnc(C)c(OC4CCCC4)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1016/j.ejmech.2016.03.020 | ||
CHEMBL3798060 | 146474 | 0 | None | -1 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 510 | 11 | 3 | 9 | 3.1 | CCc1cc(-c2noc(-c3cnc(C)c(OC4CCCC4)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1016/j.ejmech.2016.03.020 | ||
25192005 | 14508 | 0 | None | -3 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 397 | 11 | 3 | 3 | 4.5 | CCCCCCCCc1ccc2c(c1)CC[C@@H]([C@@](C)(N)COP(=O)(O)O)C2 | 10.1016/j.bmcl.2010.02.006 | ||
CHEMBL1089004 | 14508 | 0 | None | -3 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 397 | 11 | 3 | 3 | 4.5 | CCCCCCCCc1ccc2c(c1)CC[C@@H]([C@@](C)(N)COP(=O)(O)O)C2 | 10.1016/j.bmcl.2010.02.006 | ||
44219370 | 146507 | 0 | None | -93 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 510 | 13 | 3 | 8 | 3.3 | CCCN(C)Cc1cc(C)cc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)c1 | 10.1016/j.ejmech.2016.03.048 | ||
CHEMBL3798240 | 146507 | 0 | None | -93 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 510 | 13 | 3 | 8 | 3.3 | CCCN(C)Cc1cc(C)cc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)c1 | 10.1016/j.ejmech.2016.03.048 | ||
73774584 | 112870 | 0 | None | -7 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 443 | 10 | 4 | 5 | 3.9 | NC(CO)(CCc1ccc(Oc2ccc(-c3ccccc3)cc2)cc1)COP(=O)(O)O | 10.1039/C3MD00079F | ||
CHEMBL3133706 | 112870 | 0 | None | -7 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 443 | 10 | 4 | 5 | 3.9 | NC(CO)(CCc1ccc(Oc2ccc(-c3ccccc3)cc2)cc1)COP(=O)(O)O | 10.1039/C3MD00079F | ||
76318057 | 112321 | 0 | None | -190 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 416 | 9 | 2 | 5 | 4.4 | CCc1sc(C(=O)CCc2cc(C)c(OC[C@@H](O)CO)c(C)c2)c2c1CCCC2 | 10.1021/jm401456d | ||
CHEMBL3121976 | 112321 | 0 | None | -190 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 416 | 9 | 2 | 5 | 4.4 | CCc1sc(C(=O)CCc2cc(C)c(OC[C@@H](O)CO)c(C)c2)c2c1CCCC2 | 10.1021/jm401456d | ||
53320107 | 64780 | 0 | None | -79 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 466 | 6 | 1 | 4 | 5.9 | O=C(O)C1CN(Cc2ccc(-c3nc4cc(Cc5cccc(Cl)c5)ccc4s3)c(F)c2)C1 | 10.1021/ml100228m | ||
CHEMBL1672568 | 64780 | 0 | None | -79 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 466 | 6 | 1 | 4 | 5.9 | O=C(O)C1CN(Cc2ccc(-c3nc4cc(Cc5cccc(Cl)c5)ccc4s3)c(F)c2)C1 | 10.1021/ml100228m | ||
46195468 | 159296 | 0 | None | -5 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 454 | 10 | 3 | 9 | 2.2 | CCOc1ccc(-c2nc(-c3ccc4c(c3)CN(CC(N)(CO)CO)C4)no2)cc1OCC | nan | ||
CHEMBL3971409 | 159296 | 0 | None | -5 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 454 | 10 | 3 | 9 | 2.2 | CCOc1ccc(-c2nc(-c3ccc4c(c3)CN(CC(N)(CO)CO)C4)no2)cc1OCC | nan | ||
56835182 | 76658 | 0 | None | -30 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 485 | 6 | 1 | 6 | 4.5 | CCC1SCCN1C(=O)c1ccc2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3F)sc2c1 | 10.1016/j.bmcl.2011.10.069 | ||
CHEMBL1938934 | 76658 | 0 | None | -30 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 485 | 6 | 1 | 6 | 4.5 | CCC1SCCN1C(=O)c1ccc2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3F)sc2c1 | 10.1016/j.bmcl.2011.10.069 | ||
57404009 | 78438 | 0 | None | -977 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 409 | 8 | 1 | 3 | 4.6 | CC1=C(CN2CC(C(=O)O)C2)CCc2cc(OCCCc3cccc(F)c3)ccc21 | 10.1016/j.bmcl.2011.11.048 | ||
CHEMBL1935577 | 78438 | 0 | None | -977 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 409 | 8 | 1 | 3 | 4.6 | CC1=C(CN2CC(C(=O)O)C2)CCc2cc(OCCCc3cccc(F)c3)ccc21 | 10.1016/j.bmcl.2011.11.048 | ||
CHEMBL1963645 | 78438 | 0 | None | -977 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 409 | 8 | 1 | 3 | 4.6 | CC1=C(CN2CC(C(=O)O)C2)CCc2cc(OCCCc3cccc(F)c3)ccc21 | 10.1016/j.bmcl.2011.11.048 | ||
76318446 | 112865 | 0 | None | -4 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 457 | 11 | 4 | 5 | 3.8 | NC(CO)(CCc1ccc(Oc2ccc(Cc3ccccc3)cc2)cc1)COP(=O)(O)O | 10.1039/C3MD00079F | ||
CHEMBL3133613 | 112865 | 0 | None | -4 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 457 | 11 | 4 | 5 | 3.8 | NC(CO)(CCc1ccc(Oc2ccc(Cc3ccccc3)cc2)cc1)COP(=O)(O)O | 10.1039/C3MD00079F | ||
76321773 | 112343 | 0 | None | -3019 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 517 | 12 | 3 | 7 | 3.8 | CCc1cc(CCC(=O)c2sc(OC)c3c2CCC(C)(C)C3)cc(C)c1OCC(O)CNC(=O)CO | 10.1021/jm401456d | ||
CHEMBL3121998 | 112343 | 0 | None | -3019 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 517 | 12 | 3 | 7 | 3.8 | CCc1cc(CCC(=O)c2sc(OC)c3c2CCC(C)(C)C3)cc(C)c1OCC(O)CNC(=O)CO | 10.1021/jm401456d | ||
11852952 | 112334 | 0 | None | -776 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 487 | 10 | 3 | 6 | 3.9 | Cc1cc(CCC(=O)c2sc(C)c3c2CCC(C)(C)C3)cc(C)c1OCC(O)CNC(=O)CO | 10.1021/jm401456d | ||
CHEMBL3121989 | 112334 | 0 | None | -776 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 487 | 10 | 3 | 6 | 3.9 | Cc1cc(CCC(=O)c2sc(C)c3c2CCC(C)(C)C3)cc(C)c1OCC(O)CNC(=O)CO | 10.1021/jm401456d | ||
76336361 | 112535 | 1 | None | -12882 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 454 | 10 | 3 | 8 | 2.6 | CCc1cc(-c2noc(-c3ccnc(C(C)C)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1021/jm4014696 | ||
CHEMBL3126603 | 112535 | 1 | None | -12882 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 454 | 10 | 3 | 8 | 2.6 | CCc1cc(-c2noc(-c3ccnc(C(C)C)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1021/jm4014696 | ||
66655211 | 174514 | 0 | None | -316 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 451 | 6 | 1 | 4 | 5.5 | O=C(O)CCN1CCC2(CC1)COc1cc(SCc3c(Cl)cccc3Cl)ccc12 | 10.1016/j.bmcl.2017.12.018 | ||
CHEMBL4205124 | 174514 | 0 | None | -316 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 451 | 6 | 1 | 4 | 5.5 | O=C(O)CCN1CCC2(CC1)COc1cc(SCc3c(Cl)cccc3Cl)ccc12 | 10.1016/j.bmcl.2017.12.018 | ||
CHEMBL4302786 | 174514 | 0 | None | -316 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 451 | 6 | 1 | 4 | 5.5 | O=C(O)CCN1CCC2(CC1)COc1cc(SCc3c(Cl)cccc3Cl)ccc12 | 10.1016/j.bmcl.2017.12.018 | ||
118723864 | 123166 | 0 | None | -630 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 432 | 7 | 1 | 7 | 3.9 | CC(C)Oc1ccc(-c2nc(-c3ccc4c(c3)CCN(CCC(=O)O)C4)no2)cc1C#N | 10.1021/jm5010336 | ||
CHEMBL3359842 | 123166 | 0 | None | -630 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 432 | 7 | 1 | 7 | 3.9 | CC(C)Oc1ccc(-c2nc(-c3ccc4c(c3)CCN(CCC(=O)O)C4)no2)cc1C#N | 10.1021/jm5010336 | ||
46205775 | 15001 | 0 | None | -3 | 2 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 475 | 11 | 4 | 5 | 3.8 | NC(CO)(CCc1ccc(-c2ccc(OCc3ccccc3)cc2F)cc1)COP(=O)(O)O | 10.1021/jm901776q | ||
CHEMBL1092272 | 15001 | 0 | None | -3 | 2 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 475 | 11 | 4 | 5 | 3.8 | NC(CO)(CCc1ccc(-c2ccc(OCc3ccccc3)cc2F)cc1)COP(=O)(O)O | 10.1021/jm901776q | ||
46206105 | 15007 | 0 | None | -1 | 2 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 477 | 10 | 4 | 5 | 4.4 | NC(CO)(CCc1ccc(-c2ccc(Sc3ccccc3)cc2F)cc1)COP(=O)(O)O | 10.1021/jm901776q | ||
CHEMBL1092286 | 15007 | 0 | None | -1 | 2 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 477 | 10 | 4 | 5 | 4.4 | NC(CO)(CCc1ccc(-c2ccc(Sc3ccccc3)cc2F)cc1)COP(=O)(O)O | 10.1021/jm901776q | ||
11852237 | 111467 | 0 | None | -37 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 440 | 6 | 2 | 7 | 4.4 | Cc1cc(-c2noc(-c3sc(C)c4c3C[C@@H]3[C@H]4C3(C)C)n2)cc(C)c1OC[C@@H](O)CO | 10.1021/jm4014373 | ||
CHEMBL3105247 | 111467 | 0 | None | -37 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 440 | 6 | 2 | 7 | 4.4 | Cc1cc(-c2noc(-c3sc(C)c4c3C[C@@H]3[C@H]4C3(C)C)n2)cc(C)c1OC[C@@H](O)CO | 10.1021/jm4014373 | ||
70681384 | 80936 | 0 | None | -363 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 484 | 10 | 1 | 6 | 6.4 | CCCc1cc(-c2cnc(-c3sc(CN4CC(C(=O)O)C4)cc3CC)s2)ccc1OC(C)C | 10.1016/j.bmcl.2012.03.067 | ||
CHEMBL2022905 | 80936 | 0 | None | -363 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 484 | 10 | 1 | 6 | 6.4 | CCCc1cc(-c2cnc(-c3sc(CN4CC(C(=O)O)C4)cc3CC)s2)ccc1OC(C)C | 10.1016/j.bmcl.2012.03.067 | ||
11662328 | 98540 | 0 | None | -1318 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 448 | 7 | 1 | 5 | 5.8 | Cc1cc(CC(C)C(=O)O)ccc1-c1noc(-c2ccc(OC(C)C)c(C(F)(F)F)c2)n1 | 10.1016/j.bmcl.2006.10.057 | ||
CHEMBL241050 | 98540 | 0 | None | -1318 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 448 | 7 | 1 | 5 | 5.8 | Cc1cc(CC(C)C(=O)O)ccc1-c1noc(-c2ccc(OC(C)C)c(C(F)(F)F)c2)n1 | 10.1016/j.bmcl.2006.10.057 | ||
57570503 | 94364 | 0 | None | -1819 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 482 | 10 | 2 | 5 | 6.3 | C/C(=N\OCc1ccc(C2CCCCC2)c(C(F)(F)F)c1)c1ccc(CNCCC(=O)O)s1 | 10.1021/ml300396r | ||
CHEMBL2336062 | 94364 | 0 | None | -1819 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 482 | 10 | 2 | 5 | 6.3 | C/C(=N\OCc1ccc(C2CCCCC2)c(C(F)(F)F)c1)c1ccc(CNCCC(=O)O)s1 | 10.1021/ml300396r | ||
67414717 | 111210 | 0 | None | -288 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 397 | 7 | 1 | 4 | 5.1 | Cc1cc(CCC(=O)c2sc(C)c3c2C[C@@H]2[C@H]3C2(C)C)cc(C)c1OCCN | 10.1021/jm4014373 | ||
CHEMBL3103658 | 111210 | 0 | None | -288 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 397 | 7 | 1 | 4 | 5.1 | Cc1cc(CCC(=O)c2sc(C)c3c2C[C@@H]2[C@H]3C2(C)C)cc(C)c1OCCN | 10.1021/jm4014373 | ||
11501873 | 146925 | 0 | None | -2137 | 3 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 384 | 7 | 1 | 5 | 4.7 | Cc1cc(CCC(=O)O)ccc1-c1noc(-c2ccc(OC(C)C)c(F)c2)n1 | 10.1016/j.bmcl.2006.04.084 | ||
CHEMBL380253 | 146925 | 0 | None | -2137 | 3 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 384 | 7 | 1 | 5 | 4.7 | Cc1cc(CCC(=O)O)ccc1-c1noc(-c2ccc(OC(C)C)c(F)c2)n1 | 10.1016/j.bmcl.2006.04.084 | ||
46846820 | 146830 | 0 | None | -4168 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 470 | 6 | 1 | 7 | 4.6 | O=C(O)C1CN(Cc2ccc(-c3noc(-c4noc(-c5ccccc5)c4C(F)(F)F)n3)cc2)C1 | 10.1021/acs.jmedchem.6b00089 | ||
CHEMBL3800349 | 146830 | 0 | None | -4168 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 470 | 6 | 1 | 7 | 4.6 | O=C(O)C1CN(Cc2ccc(-c3noc(-c4noc(-c5ccccc5)c4C(F)(F)F)n3)cc2)C1 | 10.1021/acs.jmedchem.6b00089 | ||
25182899 | 12895 | 0 | None | -33 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 350 | 7 | 2 | 5 | 3.2 | CCCN(CC1CC1)c1cc(C(=O)Nc2ccc3[nH]ncc3c2)ncn1 | nan | ||
CHEMBL1080865 | 12895 | 0 | None | -33 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 350 | 7 | 2 | 5 | 3.2 | CCCN(CC1CC1)c1cc(C(=O)Nc2ccc3[nH]ncc3c2)ncn1 | nan | ||
25182899 | 12895 | 0 | None | -33 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 350 | 7 | 2 | 5 | 3.2 | CCCN(CC1CC1)c1cc(C(=O)Nc2ccc3[nH]ncc3c2)ncn1 | 10.1016/j.bmcl.2010.01.102 | ||
CHEMBL1080865 | 12895 | 0 | None | -33 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 350 | 7 | 2 | 5 | 3.2 | CCCN(CC1CC1)c1cc(C(=O)Nc2ccc3[nH]ncc3c2)ncn1 | 10.1016/j.bmcl.2010.01.102 | ||
118716145 | 121657 | 0 | None | -16 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 446 | 10 | 4 | 6 | 3.3 | CCc1ccc(-c2nc(-c3ccc(CCC(N)(CO)COP(=O)(O)O)cc3)co2)cc1 | 10.1016/j.ejmech.2014.07.081 | ||
CHEMBL3341923 | 121657 | 0 | None | -16 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 446 | 10 | 4 | 6 | 3.3 | CCc1ccc(-c2nc(-c3ccc(CCC(N)(CO)COP(=O)(O)O)cc3)co2)cc1 | 10.1016/j.ejmech.2014.07.081 | ||
44565622 | 186119 | 0 | None | -5 | 4 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 428 | 11 | 4 | 5 | 3.6 | C[C@](N)(COP(=O)(O)O)C(=O)Nc1ccc(OCCCCC2CCCCC2)cc1 | 10.1016/j.bmcl.2009.02.073 | ||
CHEMBL473562 | 186119 | 0 | None | -5 | 4 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 428 | 11 | 4 | 5 | 3.6 | C[C@](N)(COP(=O)(O)O)C(=O)Nc1ccc(OCCCCC2CCCCC2)cc1 | 10.1016/j.bmcl.2009.02.073 | ||
9969355 | 65215 | 0 | None | -26 | 3 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 369 | 14 | 2 | 3 | 4.5 | O=C(O)CCNCCCc1ccc(OCCCCCc2ccccc2)cc1 | 10.1016/j.bmcl.2011.01.029 | ||
CHEMBL1683041 | 65215 | 0 | None | -26 | 3 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 369 | 14 | 2 | 3 | 4.5 | O=C(O)CCNCCCc1ccc(OCCCCCc2ccccc2)cc1 | 10.1016/j.bmcl.2011.01.029 | ||
67416434 | 111499 | 0 | None | -630 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 411 | 8 | 1 | 4 | 5.5 | Cc1cc(CCC(=O)c2sc(C)c3c2C[C@@H]2[C@H]3C2(C)C)cc(C)c1OCCCN | 10.1021/jm4014373 | ||
CHEMBL3105492 | 111499 | 0 | None | -630 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 411 | 8 | 1 | 4 | 5.5 | Cc1cc(CCC(=O)c2sc(C)c3c2C[C@@H]2[C@H]3C2(C)C)cc(C)c1OCCCN | 10.1021/jm4014373 | ||
46236521 | 15699 | 0 | None | -7 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 406 | 3 | 1 | 4 | 5.6 | CC(C)/N=C1\S/C(=C\c2ccc(O)c(Cl)c2)C(=O)N1c1ccccc1Cl | 10.1021/jm100181s | ||
CHEMBL1097807 | 15699 | 0 | None | -7 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 406 | 3 | 1 | 4 | 5.6 | CC(C)/N=C1\S/C(=C\c2ccc(O)c(Cl)c2)C(=O)N1c1ccccc1Cl | 10.1021/jm100181s | ||
44199411 | 146616 | 0 | None | -165 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 524 | 14 | 3 | 8 | 3.7 | CCCCN(C)Cc1cc(C)cc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)c1 | 10.1016/j.ejmech.2016.03.048 | ||
CHEMBL3799086 | 146616 | 0 | None | -165 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 524 | 14 | 3 | 8 | 3.7 | CCCCN(C)Cc1cc(C)cc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)c1 | 10.1016/j.ejmech.2016.03.048 | ||
11597340 | 111175 | 0 | None | -3890 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 438 | 7 | 1 | 4 | 5.8 | Cc1sc(C(=O)CCc2cc(Cl)c(OCCO)c(Cl)c2)c2c1[C@H]1[C@@H](C2)C1(C)C | 10.1021/jm4014373 | ||
CHEMBL3102988 | 111175 | 0 | None | -3890 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 438 | 7 | 1 | 4 | 5.8 | Cc1sc(C(=O)CCc2cc(Cl)c(OCCO)c(Cl)c2)c2c1[C@H]1[C@@H](C2)C1(C)C | 10.1021/jm4014373 | ||
46236660 | 15735 | 0 | None | -3 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 402 | 4 | 1 | 5 | 4.9 | COc1ccccc1N1C(=O)/C(=C/c2ccc(O)c(Cl)c2)S/C1=N\C(C)C | 10.1021/jm100181s | ||
CHEMBL1098144 | 15735 | 0 | None | -3 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 402 | 4 | 1 | 5 | 4.9 | COc1ccccc1N1C(=O)/C(=C/c2ccc(O)c(Cl)c2)S/C1=N\C(C)C | 10.1021/jm100181s | ||
76325530 | 112529 | 0 | None | -331 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 497 | 12 | 3 | 9 | 2.7 | CCc1cc(-c2noc(-c3cc(C)cc(N(CC)CC)n3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1021/jm4014696 | ||
CHEMBL3126597 | 112529 | 0 | None | -331 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 497 | 12 | 3 | 9 | 2.7 | CCc1cc(-c2noc(-c3cc(C)cc(N(CC)CC)n3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1021/jm4014696 | ||
76336364 | 112552 | 0 | None | -4265 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 468 | 10 | 3 | 8 | 2.9 | CCc1cc(-c2noc(-c3cnc(C(C)C)c(C)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1021/jm4014696 | ||
CHEMBL3126620 | 112552 | 0 | None | -4265 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 468 | 10 | 3 | 8 | 2.9 | CCc1cc(-c2noc(-c3cnc(C(C)C)c(C)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1021/jm4014696 | ||
44422601 | 92356 | 0 | None | -11 | 5 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 398 | 14 | 4 | 3 | 4.2 | CCCCCCCCCCc1ccc(NC(=O)[C@H](N)CCP(=O)(O)O)cc1 | 10.1016/j.bmc.2006.10.060 | ||
CHEMBL228139 | 92356 | 0 | None | -11 | 5 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 398 | 14 | 4 | 3 | 4.2 | CCCCCCCCCCc1ccc(NC(=O)[C@H](N)CCP(=O)(O)O)cc1 | 10.1016/j.bmc.2006.10.060 | ||
11854607 | 111491 | 0 | None | -346 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 485 | 10 | 3 | 6 | 3.6 | Cc1cc(CCC(=O)c2sc(C)c3c2C[C@@H]2[C@H]3C2(C)C)cc(C)c1OCC(O)CNC(=O)CO | 10.1021/jm401456d | ||
CHEMBL3105484 | 111491 | 0 | None | -346 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 485 | 10 | 3 | 6 | 3.6 | Cc1cc(CCC(=O)c2sc(C)c3c2C[C@@H]2[C@H]3C2(C)C)cc(C)c1OCC(O)CNC(=O)CO | 10.1021/jm401456d | ||
56949140 | 154038 | 0 | None | -83 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 367 | 5 | 0 | 4 | 5.6 | Clc1cc(-c2noc(CCC3(c4ccccc4)CCCCC3)n2)ccn1 | nan | ||
CHEMBL3928616 | 154038 | 0 | None | -83 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 367 | 5 | 0 | 4 | 5.6 | Clc1cc(-c2noc(CCC3(c4ccccc4)CCCCC3)n2)ccn1 | nan | ||
68280743 | 154699 | 0 | None | -11 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 348 | 5 | 1 | 5 | 4.5 | Nc1cc(-c2noc(CCC3(c4ccccc4)CCCCC3)n2)ccn1 | nan | ||
CHEMBL3933624 | 154699 | 0 | None | -11 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 348 | 5 | 1 | 5 | 4.5 | Nc1cc(-c2noc(CCC3(c4ccccc4)CCCCC3)n2)ccn1 | nan | ||
25110406 | 8079 | 53 | None | -2238 | 4 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 409 | 9 | 2 | 7 | 3.8 | OCCNC1CCc2c1cccc2c1noc(n1)c1ccc(c(c1)OCC)OCC | nan | ||
2928 | 8079 | 53 | None | -2238 | 4 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 409 | 9 | 2 | 7 | 3.8 | OCCNC1CCc2c1cccc2c1noc(n1)c1ccc(c(c1)OCC)OCC | nan | ||
CHEMBL3922179 | 8079 | 53 | None | -2238 | 4 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 409 | 9 | 2 | 7 | 3.8 | OCCNC1CCc2c1cccc2c1noc(n1)c1ccc(c(c1)OCC)OCC | nan | ||
57570461 | 94388 | 0 | None | -1659 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 477 | 10 | 2 | 5 | 5.7 | C/C(=N\OCc1ccc(C2CCCCC2)c(C(F)(F)F)c1)c1ccc(CNCCC(=O)O)nc1 | 10.1021/ml300396r | ||
CHEMBL2336087 | 94388 | 0 | None | -1659 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 477 | 10 | 2 | 5 | 5.7 | C/C(=N\OCc1ccc(C2CCCCC2)c(C(F)(F)F)c1)c1ccc(CNCCC(=O)O)nc1 | 10.1021/ml300396r | ||
44218451 | 146395 | 0 | None | -1230 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 522 | 12 | 3 | 8 | 3.3 | CCc1cc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)ccc1CN1CCCC1 | 10.1016/j.ejmech.2016.03.048 | ||
CHEMBL3797541 | 146395 | 0 | None | -1230 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 522 | 12 | 3 | 8 | 3.3 | CCc1cc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)ccc1CN1CCCC1 | 10.1016/j.ejmech.2016.03.048 | ||
127047780 | 146484 | 0 | None | -14 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 510 | 13 | 3 | 8 | 3.3 | CCCN(C)Cc1cc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)ccc1C | 10.1016/j.ejmech.2016.03.048 | ||
CHEMBL3798148 | 146484 | 0 | None | -14 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 510 | 13 | 3 | 8 | 3.3 | CCCN(C)Cc1cc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)ccc1C | 10.1016/j.ejmech.2016.03.048 | ||
11854607 | 111491 | 0 | None | -346 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 485 | 10 | 3 | 6 | 3.6 | Cc1cc(CCC(=O)c2sc(C)c3c2C[C@@H]2[C@H]3C2(C)C)cc(C)c1OCC(O)CNC(=O)CO | 10.1021/jm4014373 | ||
CHEMBL3105484 | 111491 | 0 | None | -346 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 485 | 10 | 3 | 6 | 3.6 | Cc1cc(CCC(=O)c2sc(C)c3c2C[C@@H]2[C@H]3C2(C)C)cc(C)c1OCC(O)CNC(=O)CO | 10.1021/jm4014373 | ||
2924 | 8421 | 43 | None | -10 | 7 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N | 10.1039/C3MD00079F | ||
44398069 | 8421 | 43 | None | -10 | 7 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N | 10.1039/C3MD00079F | ||
9908268 | 8421 | 43 | None | -10 | 7 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N | 10.1039/C3MD00079F | ||
CHEMBL114606 | 8421 | 43 | None | -10 | 7 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N | 10.1039/C3MD00079F | ||
127045962 | 146793 | 0 | None | -676 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 502 | 11 | 3 | 9 | 2.9 | CCc1cc(-c2noc(-c3sc(CN(C)C)c(C)c3C)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1016/j.ejmech.2016.03.048 | ||
CHEMBL3800102 | 146793 | 0 | None | -676 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 502 | 11 | 3 | 9 | 2.9 | CCc1cc(-c2noc(-c3sc(CN(C)C)c(C)c3C)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1016/j.ejmech.2016.03.048 | ||
52914984 | 154336 | 0 | None | -5011 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 495 | 5 | 1 | 6 | 5.3 | O=C(O)C1CN(Cc2ccc3c(c2)CCc2c-3noc2-c2noc(-c3ccccc3)c2C(F)(F)F)C1 | nan | ||
CHEMBL3930827 | 154336 | 0 | None | -5011 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 495 | 5 | 1 | 6 | 5.3 | O=C(O)C1CN(Cc2ccc3c(c2)CCc2c-3noc2-c2noc(-c3ccccc3)c2C(F)(F)F)C1 | nan | ||
11852953 | 112339 | 0 | None | -3630 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 501 | 11 | 3 | 6 | 4.1 | CCc1cc(CCC(=O)c2sc(C)c3c2CCC(C)(C)C3)cc(C)c1OCC(O)CNC(=O)CO | 10.1021/jm401456d | ||
CHEMBL3121994 | 112339 | 0 | None | -3630 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 501 | 11 | 3 | 6 | 4.1 | CCc1cc(CCC(=O)c2sc(C)c3c2CCC(C)(C)C3)cc(C)c1OCC(O)CNC(=O)CO | 10.1021/jm401456d | ||
11852049 | 112349 | 0 | None | -234 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 400 | 7 | 1 | 4 | 5.4 | Cc1cc(CCC(=O)c2sc(C)c3c2CCC(C)(C)C3)cc(C)c1OCCO | 10.1021/jm401456d | ||
CHEMBL3122003 | 112349 | 0 | None | -234 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 400 | 7 | 1 | 4 | 5.4 | Cc1cc(CCC(=O)c2sc(C)c3c2CCC(C)(C)C3)cc(C)c1OCCO | 10.1021/jm401456d | ||
11852142 | 112350 | 0 | None | -63 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 414 | 8 | 1 | 4 | 5.8 | Cc1cc(CCC(=O)c2sc(C)c3c2CCC(C)(C)C3)cc(C)c1OCCCO | 10.1021/jm401456d | ||
CHEMBL3122004 | 112350 | 0 | None | -63 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 414 | 8 | 1 | 4 | 5.8 | Cc1cc(CCC(=O)c2sc(C)c3c2CCC(C)(C)C3)cc(C)c1OCCCO | 10.1021/jm401456d | ||
66829275 | 146410 | 0 | None | -147 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 502 | 12 | 3 | 9 | 2.8 | CCc1cc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)sc1CN(C)C | 10.1016/j.ejmech.2016.03.048 | ||
CHEMBL3797647 | 146410 | 0 | None | -147 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 502 | 12 | 3 | 9 | 2.8 | CCc1cc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)sc1CN(C)C | 10.1016/j.ejmech.2016.03.048 | ||
11588811 | 10784 | 45 | None | -8 | 4 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 372 | 12 | 4 | 4 | 3.0 | CCCCCCCCc1cccc(c1)NC(=O)[C@@H](COP(=O)(O)O)N | 10.1016/j.bmc.2006.10.060 | ||
136212600 | 10784 | 45 | None | -8 | 4 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 372 | 12 | 4 | 4 | 3.0 | CCCCCCCCc1cccc(c1)NC(=O)[C@@H](COP(=O)(O)O)N | 10.1016/j.bmc.2006.10.060 | ||
3324 | 10784 | 45 | None | -8 | 4 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 372 | 12 | 4 | 4 | 3.0 | CCCCCCCCc1cccc(c1)NC(=O)[C@@H](COP(=O)(O)O)N | 10.1016/j.bmc.2006.10.060 | ||
CHEMBL228102 | 10784 | 45 | None | -8 | 4 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 372 | 12 | 4 | 4 | 3.0 | CCCCCCCCc1cccc(c1)NC(=O)[C@@H](COP(=O)(O)O)N | 10.1016/j.bmc.2006.10.060 | ||
57391849 | 77693 | 0 | None | -1479 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 475 | 8 | 1 | 7 | 5.6 | CCc1cc(CN2CC(C(=O)O)C2)sc1-c1noc(-c2ccc(Oc3ccccc3C)cc2)n1 | 10.1016/j.bmcl.2011.12.019 | ||
CHEMBL1951312 | 77693 | 0 | None | -1479 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 475 | 8 | 1 | 7 | 5.6 | CCc1cc(CN2CC(C(=O)O)C2)sc1-c1noc(-c2ccc(Oc3ccccc3C)cc2)n1 | 10.1016/j.bmcl.2011.12.019 | ||
58344526 | 156907 | 4 | None | -28183 | 5 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 404 | 7 | 2 | 7 | 3.6 | CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NCCO)no2)cc1C#N | nan | ||
CHEMBL3951270 | 156907 | 4 | None | -28183 | 5 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 404 | 7 | 2 | 7 | 3.6 | CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NCCO)no2)cc1C#N | nan | ||
58390949 | 90890 | 0 | None | -81 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 442 | 10 | 2 | 6 | 4.0 | CCCCN(C(=O)c1ccccc1F)c1nnc(-c2ccc(CNCC(=O)O)cc2)s1 | 10.1016/j.bmcl.2012.09.110 | ||
CHEMBL2207776 | 90890 | 0 | None | -81 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 442 | 10 | 2 | 6 | 4.0 | CCCCN(C(=O)c1ccccc1F)c1nnc(-c2ccc(CNCC(=O)O)cc2)s1 | 10.1016/j.bmcl.2012.09.110 | ||
46236519 | 15671 | 0 | None | -2 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 400 | 3 | 1 | 4 | 5.5 | Cc1ccc(N2C(=O)/C(=C/c3ccc(O)c(Cl)c3)S/C2=N\C(C)C)c(C)c1 | 10.1021/jm100181s | ||
CHEMBL1097536 | 15671 | 0 | None | -2 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 400 | 3 | 1 | 4 | 5.5 | Cc1ccc(N2C(=O)/C(=C/c3ccc(O)c(Cl)c3)S/C2=N\C(C)C)c(C)c1 | 10.1021/jm100181s | ||
25031140 | 112420 | 0 | None | -229 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 496 | 12 | 3 | 8 | 3.7 | CCc1cc(-c2noc(-c3cc(C)nc(C(CC)CC)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1021/jm4014696 | ||
CHEMBL3124957 | 112420 | 0 | None | -229 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 496 | 12 | 3 | 8 | 3.7 | CCc1cc(-c2noc(-c3cc(C)nc(C(CC)CC)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1021/jm4014696 | ||
11646599 | 84441 | 0 | None | -2290 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 380 | 7 | 1 | 5 | 4.8 | Cc1cc(-c2nc(-c3ccc(CCC(=O)O)cc3C)no2)ccc1OC(C)C | 10.1016/j.bmcl.2006.04.084 | ||
CHEMBL208898 | 84441 | 0 | None | -2290 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 380 | 7 | 1 | 5 | 4.8 | Cc1cc(-c2nc(-c3ccc(CCC(=O)O)cc3C)no2)ccc1OC(C)C | 10.1016/j.bmcl.2006.04.084 | ||
44412867 | 86517 | 0 | None | -1148 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 420 | 7 | 1 | 5 | 5.1 | CCOc1ccc(-c2nc(-c3ccc(CCC(=O)O)cc3C)no2)cc1C(F)(F)F | 10.1016/j.bmcl.2006.04.084 | ||
CHEMBL211689 | 86517 | 0 | None | -1148 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 420 | 7 | 1 | 5 | 5.1 | CCOc1ccc(-c2nc(-c3ccc(CCC(=O)O)cc3C)no2)cc1C(F)(F)F | 10.1016/j.bmcl.2006.04.084 | ||
57396699 | 77674 | 0 | None | -537 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 433 | 7 | 1 | 7 | 4.8 | O=C(O)C1CN(Cc2cc(-c3noc(-c4ccc(Oc5ccccc5)cc4)n3)cs2)C1 | 10.1016/j.bmcl.2011.12.019 | ||
CHEMBL1951152 | 77674 | 0 | None | -537 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 433 | 7 | 1 | 7 | 4.8 | O=C(O)C1CN(Cc2cc(-c3noc(-c4ccc(Oc5ccccc5)cc4)n3)cs2)C1 | 10.1016/j.bmcl.2011.12.019 | ||
127046866 | 146618 | 0 | None | -676 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 488 | 12 | 3 | 9 | 2.6 | CCc1cc(-c2noc(-c3ccc(CN(C)CC)s3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1016/j.ejmech.2016.03.048 | ||
CHEMBL3799109 | 146618 | 0 | None | -676 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 488 | 12 | 3 | 9 | 2.6 | CCc1cc(-c2noc(-c3ccc(CN(C)CC)s3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1016/j.ejmech.2016.03.048 | ||
69144360 | 111220 | 0 | None | -478 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 404 | 7 | 1 | 4 | 5.2 | Cc1sc(C(=O)CCc2ccc(OCCO)c(Cl)c2)c2c1[C@H]1[C@@H](C2)C1(C)C | 10.1021/jm4014373 | ||
CHEMBL3103668 | 111220 | 0 | None | -478 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 404 | 7 | 1 | 4 | 5.2 | Cc1sc(C(=O)CCc2ccc(OCCO)c(Cl)c2)c2c1[C@H]1[C@@H](C2)C1(C)C | 10.1021/jm4014373 | ||
67171242 | 155401 | 0 | None | -141 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 523 | 5 | 1 | 6 | 6.1 | O=C(O)[C@H]1CCCN(Cc2ccc3c(c2)CCc2c-3noc2-c2noc(-c3ccccc3)c2C(F)(F)F)C1 | nan | ||
CHEMBL3939314 | 155401 | 0 | None | -141 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 523 | 5 | 1 | 6 | 6.1 | O=C(O)[C@H]1CCCN(Cc2ccc3c(c2)CCc2c-3noc2-c2noc(-c3ccccc3)c2C(F)(F)F)C1 | nan | ||
44600645 | 64178 | 0 | None | -123 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 458 | 6 | 1 | 4 | 5.7 | O=C(O)C1CN(Cc2ccc(-c3nc4ccc(C5(c6ccccc6)CC5)cc4s3)c(F)c2)C1 | 10.1021/ml100306h | ||
CHEMBL1651865 | 64178 | 0 | None | -123 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 458 | 6 | 1 | 4 | 5.7 | O=C(O)C1CN(Cc2ccc(-c3nc4ccc(C5(c6ccccc6)CC5)cc4s3)c(F)c2)C1 | 10.1021/ml100306h | ||
118716185 | 121682 | 0 | None | -245 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 460 | 11 | 4 | 7 | 2.6 | CCCc1ccc(-n2cc(-c3ccc(CCC(N)(CO)COP(=O)(O)O)cc3)nn2)cc1 | 10.1016/j.ejmech.2014.07.081 | ||
CHEMBL3342010 | 121682 | 0 | None | -245 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 460 | 11 | 4 | 7 | 2.6 | CCCc1ccc(-n2cc(-c3ccc(CCC(N)(CO)COP(=O)(O)O)cc3)nn2)cc1 | 10.1016/j.ejmech.2014.07.081 | ||
68553624 | 112518 | 0 | None | -234 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 494 | 10 | 3 | 8 | 3.5 | CCc1cc(-c2noc(-c3cc(C)nc(C4CCCC4)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1021/jm4014696 | ||
CHEMBL3126585 | 112518 | 0 | None | -234 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 494 | 10 | 3 | 8 | 3.5 | CCc1cc(-c2noc(-c3cc(C)nc(C4CCCC4)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1021/jm4014696 | ||
11540052 | 187346 | 0 | None | -33 | 4 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 470 | 10 | 4 | 5 | 3.7 | C[C@](N)(COP(=O)(O)O)C(=O)Nc1ccc(OCCc2ccc(-c3ccccc3)cc2)cc1 | 10.1016/j.bmcl.2009.02.073 | ||
CHEMBL475405 | 187346 | 0 | None | -33 | 4 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 470 | 10 | 4 | 5 | 3.7 | C[C@](N)(COP(=O)(O)O)C(=O)Nc1ccc(OCCc2ccc(-c3ccccc3)cc2)cc1 | 10.1016/j.bmcl.2009.02.073 | ||
11611053 | 84718 | 0 | None | -524 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 401 | 7 | 1 | 5 | 4.9 | Cc1cc(CCC(=O)O)ccc1-c1noc(-c2ccc(C(F)(F)C(C)C)cn2)n1 | 10.1016/j.bmcl.2006.04.084 | ||
CHEMBL209567 | 84718 | 0 | None | -524 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 401 | 7 | 1 | 5 | 4.9 | Cc1cc(CCC(=O)O)ccc1-c1noc(-c2ccc(C(F)(F)C(C)C)cn2)n1 | 10.1016/j.bmcl.2006.04.084 | ||
44412936 | 145544 | 0 | None | -6606 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 405 | 8 | 1 | 6 | 4.8 | CC[C@H](C)Oc1ccc(-c2nc(-c3ccc(CCC(=O)O)cc3C)no2)cc1C#N | 10.1016/j.bmcl.2006.04.084 | ||
CHEMBL378054 | 145544 | 0 | None | -6606 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 405 | 8 | 1 | 6 | 4.8 | CC[C@H](C)Oc1ccc(-c2nc(-c3ccc(CCC(=O)O)cc3C)no2)cc1C#N | 10.1016/j.bmcl.2006.04.084 | ||
25182773 | 14398 | 0 | None | -26915 | 3 | Human | 4.3 | pEC50 | = | 4.3 | Functional | ChEMBL | 443 | 7 | 2 | 6 | 3.2 | Cc1cc(S(N)(=O)=O)ccc1NC(=O)c1cc(N(CC2CC2)C2CCCCC2)ncn1 | nan | ||
CHEMBL1088177 | 14398 | 0 | None | -26915 | 3 | Human | 4.3 | pEC50 | = | 4.3 | Functional | ChEMBL | 443 | 7 | 2 | 6 | 3.2 | Cc1cc(S(N)(=O)=O)ccc1NC(=O)c1cc(N(CC2CC2)C2CCCCC2)ncn1 | nan | ||
53322061 | 64170 | 0 | None | -2 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 433 | 6 | 1 | 5 | 4.6 | O=C(O)C1CN(Cc2ccc(-c3nc4ccc(Cc5ccccc5)nc4s3)c(F)c2)C1 | 10.1021/ml100306h | ||
CHEMBL1651857 | 64170 | 0 | None | -2 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 433 | 6 | 1 | 5 | 4.6 | O=C(O)C1CN(Cc2ccc(-c3nc4ccc(Cc5ccccc5)nc4s3)c(F)c2)C1 | 10.1021/ml100306h | ||
44218131 | 146764 | 0 | None | -371 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 496 | 12 | 3 | 8 | 2.7 | CCc1cc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)ccc1CN(C)C | 10.1016/j.ejmech.2016.03.048 | ||
CHEMBL3799916 | 146764 | 0 | None | -371 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 496 | 12 | 3 | 8 | 2.7 | CCc1cc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)ccc1CN(C)C | 10.1016/j.ejmech.2016.03.048 | ||
16736754 | 64139 | 0 | None | -16 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 395 | 7 | 1 | 4 | 4.5 | O=C(O)C1CN(Cc2ccc(-c3cc4cc(OCC5CC5)ccc4o3)c(F)c2)C1 | 10.1021/ml100227q | ||
CHEMBL1651720 | 64139 | 0 | None | -16 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 395 | 7 | 1 | 4 | 4.5 | O=C(O)C1CN(Cc2ccc(-c3cc4cc(OCC5CC5)ccc4o3)c(F)c2)C1 | 10.1021/ml100227q | ||
58390878 | 90893 | 0 | None | -380 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 482 | 9 | 1 | 6 | 4.7 | CCCCN(C(=O)c1ccccc1F)c1nnc(-c2ccc(CN3CCC(C(=O)O)C3)cc2)s1 | 10.1016/j.bmcl.2012.09.110 | ||
CHEMBL2207779 | 90893 | 0 | None | -380 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 482 | 9 | 1 | 6 | 4.7 | CCCCN(C(=O)c1ccccc1F)c1nnc(-c2ccc(CN3CCC(C(=O)O)C3)cc2)s1 | 10.1016/j.bmcl.2012.09.110 | ||
53320363 | 64779 | 0 | None | -117 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 466 | 6 | 1 | 4 | 5.9 | O=C(O)C1CN(Cc2ccc(-c3nc4cc(Cc5ccccc5Cl)ccc4s3)c(F)c2)C1 | 10.1021/ml100228m | ||
CHEMBL1672567 | 64779 | 0 | None | -117 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 466 | 6 | 1 | 4 | 5.9 | O=C(O)C1CN(Cc2ccc(-c3nc4cc(Cc5ccccc5Cl)ccc4s3)c(F)c2)C1 | 10.1021/ml100228m | ||
11690483 | 111208 | 0 | None | -346 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 428 | 8 | 2 | 5 | 4.5 | Cc1cc(CCC(=O)c2sc(C)c3c2C[C@@H]2[C@H]3C2(C)C)cc(C)c1OC[C@H](O)CO | 10.1021/jm4014373 | ||
CHEMBL3103656 | 111208 | 0 | None | -346 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 428 | 8 | 2 | 5 | 4.5 | Cc1cc(CCC(=O)c2sc(C)c3c2C[C@@H]2[C@H]3C2(C)C)cc(C)c1OC[C@H](O)CO | 10.1021/jm4014373 | ||
118716184 | 121681 | 0 | None | -17 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 460 | 10 | 4 | 7 | 2.8 | CC(C)c1ccc(-n2cc(-c3ccc(CCC(N)(CO)COP(=O)(O)O)cc3)nn2)cc1 | 10.1016/j.ejmech.2014.07.081 | ||
CHEMBL3342009 | 121681 | 0 | None | -17 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 460 | 10 | 4 | 7 | 2.8 | CC(C)c1ccc(-n2cc(-c3ccc(CCC(N)(CO)COP(=O)(O)O)cc3)nn2)cc1 | 10.1016/j.ejmech.2014.07.081 | ||
76314622 | 112521 | 0 | None | -50 | 2 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 494 | 11 | 3 | 8 | 3.3 | CCc1cc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)cc(C2CCC2)n1 | 10.1021/jm4014696 | ||
CHEMBL3126588 | 112521 | 0 | None | -50 | 2 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 494 | 11 | 3 | 8 | 3.3 | CCc1cc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)cc(C2CCC2)n1 | 10.1021/jm4014696 | ||
11452022 | 10368 | 39 | None | -19 | 6 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CC[C@@](COP(=O)(O)O)(CO)N | 10.1021/jm200609t | ||
6996 | 10368 | 39 | None | -19 | 6 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CC[C@@](COP(=O)(O)O)(CO)N | 10.1021/jm200609t | ||
CHEMBL366208 | 10368 | 39 | None | -19 | 6 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CC[C@@](COP(=O)(O)O)(CO)N | 10.1021/jm200609t | ||
44406009 | 79484 | 0 | None | 10 | 4 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 515 | 18 | 5 | 10 | 3.4 | N[C@@H](COP(=O)(O)O)[C@H](O)/C=C/CCCCCCCCCCNc1ccc([N+](=O)[O-])c2nonc12 | 10.1016/j.bmcl.2005.09.038 | ||
CHEMBL199754 | 79484 | 0 | None | 10 | 4 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 515 | 18 | 5 | 10 | 3.4 | N[C@@H](COP(=O)(O)O)[C@H](O)/C=C/CCCCCCCCCCNc1ccc([N+](=O)[O-])c2nonc12 | 10.1016/j.bmcl.2005.09.038 | ||
46881847 | 13830 | 0 | None | -6 | 4 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 373 | 13 | 3 | 4 | 3.8 | CCCCCCCOc1ccc(CC[C@](C)(N)COP(=O)(O)O)cc1 | 10.1016/j.bmcl.2010.01.118 | ||
CHEMBL1084929 | 13830 | 0 | None | -6 | 4 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 373 | 13 | 3 | 4 | 3.8 | CCCCCCCOc1ccc(CC[C@](C)(N)COP(=O)(O)O)cc1 | 10.1016/j.bmcl.2010.01.118 | ||
76336211 | 112307 | 0 | None | -4 | 2 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 511 | 11 | 2 | 7 | 5.9 | CCc1cc(-c2noc(-c3sc(CC)c4c3CCC(C)(C)C4)n2)cc(C)c1OCCNCCC(=O)O | 10.1021/jm401456d | ||
CHEMBL3121961 | 112307 | 0 | None | -4 | 2 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 511 | 11 | 2 | 7 | 5.9 | CCc1cc(-c2noc(-c3sc(CC)c4c3CCC(C)(C)C4)n2)cc(C)c1OCCNCCC(=O)O | 10.1021/jm401456d | ||
46236809 | 15503 | 0 | None | -1 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 352 | 3 | 1 | 4 | 4.6 | Cc1cc(/C=C2\S/C(=N\C(C)C)N(c3ccccc3)C2=O)ccc1O | 10.1021/jm100181s | ||
CHEMBL1095995 | 15503 | 0 | None | -1 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 352 | 3 | 1 | 4 | 4.6 | Cc1cc(/C=C2\S/C(=N\C(C)C)N(c3ccccc3)C2=O)ccc1O | 10.1021/jm100181s | ||
127046743 | 146602 | 0 | None | -45 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 524 | 12 | 3 | 9 | 3.4 | CCc1cc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)cc(OC2CCCC2)n1 | 10.1016/j.ejmech.2016.03.020 | ||
CHEMBL3798969 | 146602 | 0 | None | -45 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 524 | 12 | 3 | 9 | 3.4 | CCc1cc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)cc(OC2CCCC2)n1 | 10.1016/j.ejmech.2016.03.020 | ||
44412971 | 145712 | 0 | None | -16595 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 445 | 7 | 1 | 6 | 4.9 | Cc1cc(CCC(=O)O)ccc1-c1noc(-c2ccc(OC(C)C(F)(F)F)c(C#N)c2)n1 | 10.1016/j.bmcl.2006.04.084 | ||
CHEMBL378436 | 145712 | 0 | None | -16595 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 445 | 7 | 1 | 6 | 4.9 | Cc1cc(CCC(=O)O)ccc1-c1noc(-c2ccc(OC(C)C(F)(F)F)c(C#N)c2)n1 | 10.1016/j.bmcl.2006.04.084 | ||
57398802 | 78266 | 0 | None | -1659 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 391 | 8 | 1 | 3 | 4.4 | CC1=C(CN2CC(C(=O)O)C2)CCc2cc(OCCCc3ccccc3)ccc21 | 10.1016/j.bmcl.2011.11.048 | ||
CHEMBL1935575 | 78266 | 0 | None | -1659 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 391 | 8 | 1 | 3 | 4.4 | CC1=C(CN2CC(C(=O)O)C2)CCc2cc(OCCCc3ccccc3)ccc21 | 10.1016/j.bmcl.2011.11.048 | ||
CHEMBL1962532 | 78266 | 0 | None | -1659 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 391 | 8 | 1 | 3 | 4.4 | CC1=C(CN2CC(C(=O)O)C2)CCc2cc(OCCCc3ccccc3)ccc21 | 10.1016/j.bmcl.2011.11.048 | ||
44599207 | 10381 | 43 | None | -724 | 5 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 516 | 9 | 1 | 4 | 6.8 | CCc1cc(ccc1CN1CC(C1)C(=O)O)/C(=N/OCc1ccc(c(c1)C(F)(F)F)C1CCCCC1)/C | 10.1021/ml300396r | ||
5326 | 10381 | 43 | None | -724 | 5 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 516 | 9 | 1 | 4 | 6.8 | CCc1cc(ccc1CN1CC(C1)C(=O)O)/C(=N/OCc1ccc(c(c1)C(F)(F)F)C1CCCCC1)/C | 10.1021/ml300396r | ||
9289 | 10381 | 43 | None | -724 | 5 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 516 | 9 | 1 | 4 | 6.8 | CCc1cc(ccc1CN1CC(C1)C(=O)O)/C(=N/OCc1ccc(c(c1)C(F)(F)F)C1CCCCC1)/C | 10.1021/ml300396r | ||
CHEMBL2336071 | 10381 | 43 | None | -724 | 5 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 516 | 9 | 1 | 4 | 6.8 | CCc1cc(ccc1CN1CC(C1)C(=O)O)/C(=N/OCc1ccc(c(c1)C(F)(F)F)C1CCCCC1)/C | 10.1021/ml300396r | ||
DB12371 | 10381 | 43 | None | -724 | 5 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 516 | 9 | 1 | 4 | 6.8 | CCc1cc(ccc1CN1CC(C1)C(=O)O)/C(=N/OCc1ccc(c(c1)C(F)(F)F)C1CCCCC1)/C | 10.1021/ml300396r | ||
57404344 | 79951 | 0 | None | -398 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 556 | 11 | 2 | 7 | 4.4 | CCCCN(C(=O)c1ccc(C(F)(F)F)cc1)c1nnc(-c2ccc(S(=O)(=O)NCCC(=O)O)cc2)s1 | 10.1016/j.bmcl.2012.02.016 | ||
CHEMBL2011736 | 79951 | 0 | None | -398 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 556 | 11 | 2 | 7 | 4.4 | CCCCN(C(=O)c1ccc(C(F)(F)F)cc1)c1nnc(-c2ccc(S(=O)(=O)NCCC(=O)O)cc2)s1 | 10.1016/j.bmcl.2012.02.016 | ||
70681688 | 81756 | 0 | None | -3162 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 494 | 6 | 1 | 4 | 6.5 | O=C(O)C1CCN(CCc2ccc3oc(-c4ccc(-c5ccccc5)c(C(F)(F)F)c4)nc3c2)CC1 | 10.1016/j.bmcl.2012.04.095 | ||
CHEMBL2032436 | 81756 | 0 | None | -3162 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 494 | 6 | 1 | 4 | 6.5 | O=C(O)C1CCN(CCc2ccc3oc(-c4ccc(-c5ccccc5)c(C(F)(F)F)c4)nc3c2)CC1 | 10.1016/j.bmcl.2012.04.095 | ||
70685939 | 81757 | 0 | None | -630 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 508 | 7 | 1 | 4 | 6.9 | O=C(O)C1CCN(CCCc2ccc3oc(-c4ccc(-c5ccccc5)c(C(F)(F)F)c4)nc3c2)CC1 | 10.1016/j.bmcl.2012.04.095 | ||
CHEMBL2032437 | 81757 | 0 | None | -630 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 508 | 7 | 1 | 4 | 6.9 | O=C(O)C1CCN(CCCc2ccc3oc(-c4ccc(-c5ccccc5)c(C(F)(F)F)c4)nc3c2)CC1 | 10.1016/j.bmcl.2012.04.095 | ||
44129298 | 123172 | 0 | None | -251 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 427 | 6 | 2 | 6 | 4.5 | CC(C)Oc1ccc(-c2nc(-c3cccc4c3CCNC4CC(=O)O)no2)cc1Cl | 10.1021/jm5010336 | ||
CHEMBL3359848 | 123172 | 0 | None | -251 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 427 | 6 | 2 | 6 | 4.5 | CC(C)Oc1ccc(-c2nc(-c3cccc4c3CCNC4CC(=O)O)no2)cc1Cl | 10.1021/jm5010336 | ||
72793788 | 111500 | 0 | None | -741 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 425 | 9 | 1 | 4 | 5.8 | CNCCCOc1c(C)cc(CCC(=O)c2sc(C)c3c2C[C@@H]2[C@H]3C2(C)C)cc1C | 10.1021/jm4014373 | ||
CHEMBL3105493 | 111500 | 0 | None | -741 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 425 | 9 | 1 | 4 | 5.8 | CNCCCOc1c(C)cc(CCC(=O)c2sc(C)c3c2C[C@@H]2[C@H]3C2(C)C)cc1C | 10.1021/jm4014373 | ||
76329311 | 112863 | 0 | None | 1 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 415 | 12 | 4 | 5 | 3.1 | CCCCCCC1CCc2cc(CCC(N)(CO)COP(=O)(O)O)ccc2O1 | 10.1039/C3MD00079F | ||
CHEMBL3133611 | 112863 | 0 | None | 1 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 415 | 12 | 4 | 5 | 3.1 | CCCCCCC1CCc2cc(CCC(N)(CO)COP(=O)(O)O)ccc2O1 | 10.1039/C3MD00079F | ||
11697911 | 20991 | 0 | None | -97 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 441 | 12 | 4 | 5 | 3.4 | CCCCOc1ccc(-c2ccc(CCC(N)(CO)COP(=O)(O)O)cc2)c(F)c1 | 10.1021/jm901776q | ||
CHEMBL1089557 | 20991 | 0 | None | -97 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 441 | 12 | 4 | 5 | 3.4 | CCCCOc1ccc(-c2ccc(CCC(N)(CO)COP(=O)(O)O)cc2)c(F)c1 | 10.1021/jm901776q | ||
CHEMBL1199009 | 20991 | 0 | None | -97 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 441 | 12 | 4 | 5 | 3.4 | CCCCOc1ccc(-c2ccc(CCC(N)(CO)COP(=O)(O)O)cc2)c(F)c1 | 10.1021/jm901776q | ||
127045708 | 146858 | 0 | None | -3981 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 444 | 7 | 1 | 7 | 4.7 | CC(C)c1c(-c2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3)no2)noc1-c1ccccc1 | 10.1021/acs.jmedchem.6b00089 | ||
CHEMBL3800513 | 146858 | 0 | None | -3981 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 444 | 7 | 1 | 7 | 4.7 | CC(C)c1c(-c2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3)no2)noc1-c1ccccc1 | 10.1021/acs.jmedchem.6b00089 | ||
46236661 | 15348 | 0 | None | -1 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 402 | 4 | 1 | 5 | 4.9 | COc1cccc(N2C(=O)/C(=C/c3ccc(O)c(Cl)c3)S/C2=N\C(C)C)c1 | 10.1021/jm100181s | ||
CHEMBL1094699 | 15348 | 0 | None | -1 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 402 | 4 | 1 | 5 | 4.9 | COc1cccc(N2C(=O)/C(=C/c3ccc(O)c(Cl)c3)S/C2=N\C(C)C)c1 | 10.1021/jm100181s | ||
24851766 | 112566 | 0 | None | -269 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 482 | 11 | 3 | 8 | 3.0 | CCc1cc(-c2noc(-c3cnc(CC(C)C)c(C)c3)n2)cc(C)c1OC[C@H](O)CNC(=O)CO | 10.1021/jm4014696 | ||
CHEMBL3126634 | 112566 | 0 | None | -269 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 482 | 11 | 3 | 8 | 3.0 | CCc1cc(-c2noc(-c3cnc(CC(C)C)c(C)c3)n2)cc(C)c1OC[C@H](O)CNC(=O)CO | 10.1021/jm4014696 | ||
44218479 | 146779 | 0 | None | -436 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 512 | 13 | 3 | 9 | 3.4 | CCc1cc(-c2noc(-c3cc(OC)cc(C(CC)CC)n3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1016/j.ejmech.2016.03.020 | ||
CHEMBL3800001 | 146779 | 0 | None | -436 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 512 | 13 | 3 | 9 | 3.4 | CCc1cc(-c2noc(-c3cc(OC)cc(C(CC)CC)n3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1016/j.ejmech.2016.03.020 | ||
11495124 | 111215 | 0 | None | -812 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 404 | 7 | 1 | 4 | 5.2 | Cc1sc(C(=O)CCc2ccc(OCCO)cc2Cl)c2c1[C@H]1[C@@H](C2)C1(C)C | 10.1021/jm4014373 | ||
CHEMBL3103663 | 111215 | 0 | None | -812 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 404 | 7 | 1 | 4 | 5.2 | Cc1sc(C(=O)CCc2ccc(OCCO)cc2Cl)c2c1[C@H]1[C@@H](C2)C1(C)C | 10.1021/jm4014373 | ||
59593534 | 111493 | 0 | None | -295 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 410 | 7 | 1 | 3 | 5.8 | Cc1cc(CCC(=O)c2sc(C)c3c2C[C@@H]2[C@H]3C2(C)C)cc(C)c1CCC(=O)O | 10.1021/jm4014373 | ||
CHEMBL3105486 | 111493 | 0 | None | -295 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 410 | 7 | 1 | 3 | 5.8 | Cc1cc(CCC(=O)c2sc(C)c3c2C[C@@H]2[C@H]3C2(C)C)cc(C)c1CCC(=O)O | 10.1021/jm4014373 | ||
25182754 | 159001 | 0 | None | -4 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 347 | 4 | 2 | 5 | 4.0 | O=C(Nc1ccnc2ccccc12)c1cc(NC2CCCCC2)ncn1 | nan | ||
CHEMBL3968786 | 159001 | 0 | None | -4 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 347 | 4 | 2 | 5 | 4.0 | O=C(Nc1ccnc2ccccc12)c1cc(NC2CCCCC2)ncn1 | nan | ||
76310993 | 112530 | 0 | None | -97 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 497 | 12 | 3 | 9 | 2.7 | CCc1cc(-c2noc(-c3cc(N(CC)CC)cc(C)n3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1021/jm4014696 | ||
CHEMBL3126598 | 112530 | 0 | None | -97 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 497 | 12 | 3 | 9 | 2.7 | CCc1cc(-c2noc(-c3cc(N(CC)CC)cc(C)n3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1021/jm4014696 | ||
46236663 | 15298 | 0 | None | 1 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 432 | 5 | 1 | 6 | 4.9 | COc1ccc(N2C(=O)/C(=C/c3ccc(O)c(Cl)c3)S/C2=N\C(C)C)c(OC)c1 | 10.1021/jm100181s | ||
CHEMBL1094246 | 15298 | 0 | None | 1 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 432 | 5 | 1 | 6 | 4.9 | COc1ccc(N2C(=O)/C(=C/c3ccc(O)c(Cl)c3)S/C2=N\C(C)C)c(OC)c1 | 10.1021/jm100181s | ||
67351486 | 112308 | 0 | None | -1949 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 475 | 12 | 3 | 6 | 3.8 | Cc1cc(CCC(=O)c2sc(C)c(CC(C)C)c2C)cc(C)c1OCC(O)CNC(=O)CO | 10.1021/jm401456d | ||
CHEMBL3121962 | 112308 | 0 | None | -1949 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 475 | 12 | 3 | 6 | 3.8 | Cc1cc(CCC(=O)c2sc(C)c(CC(C)C)c2C)cc(C)c1OCC(O)CNC(=O)CO | 10.1021/jm401456d | ||
76336213 | 112338 | 0 | None | -1096 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 487 | 11 | 3 | 6 | 3.8 | CCc1cc(CCC(=O)c2scc3c2CCC(C)(C)C3)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1021/jm401456d | ||
CHEMBL3121993 | 112338 | 0 | None | -1096 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 487 | 11 | 3 | 6 | 3.8 | CCc1cc(CCC(=O)c2scc3c2CCC(C)(C)C3)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1021/jm401456d | ||
25110382 | 152887 | 0 | None | -33113 | 5 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 366 | 6 | 1 | 6 | 4.2 | CCOc1ccc(-c2nc(-c3cccc4c3CCC4O)no2)cc1OCC | nan | ||
CHEMBL3919445 | 152887 | 0 | None | -33113 | 5 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 366 | 6 | 1 | 6 | 4.2 | CCOc1ccc(-c2nc(-c3cccc4c3CCC4O)no2)cc1OCC | nan | ||
23729229 | 112313 | 0 | None | -346 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 473 | 10 | 3 | 8 | 3.4 | Cc1cc(-c2noc(-c3scc(CC(C)C)c3C)n2)cc(C)c1OCC(O)CNC(=O)CO | 10.1021/jm401456d | ||
CHEMBL3121967 | 112313 | 0 | None | -346 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 473 | 10 | 3 | 8 | 3.4 | Cc1cc(-c2noc(-c3scc(CC(C)C)c3C)n2)cc(C)c1OCC(O)CNC(=O)CO | 10.1021/jm401456d | ||
46237177 | 15695 | 0 | None | 2 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 382 | 6 | 1 | 5 | 3.9 | CC(C)/N=C1\S/C(=C\c2cccc(OCCO)c2)C(=O)N1c1ccccc1 | 10.1021/jm100181s | ||
CHEMBL1097802 | 15695 | 0 | None | 2 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 382 | 6 | 1 | 5 | 3.9 | CC(C)/N=C1\S/C(=C\c2cccc(OCCO)c2)C(=O)N1c1ccccc1 | 10.1021/jm100181s | ||
46237051 | 15693 | 0 | None | 1 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 380 | 6 | 1 | 4 | 4.5 | CC(C)/N=C1\S/C(=C\c2ccc(CCCO)cc2)C(=O)N1c1ccccc1 | 10.1021/jm100181s | ||
CHEMBL1097800 | 15693 | 0 | None | 1 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 380 | 6 | 1 | 4 | 4.5 | CC(C)/N=C1\S/C(=C\c2ccc(CCCO)cc2)C(=O)N1c1ccccc1 | 10.1021/jm100181s | ||
44565716 | 186522 | 0 | None | -25 | 4 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 493 | 10 | 4 | 5 | 4.6 | C[C@](N)(COP(=O)(O)O)c1nc(-c2ccc(OCCc3ccc(-c4ccccc4)cc3)cc2)c[nH]1 | 10.1016/j.bmcl.2009.02.073 | ||
CHEMBL474418 | 186522 | 0 | None | -25 | 4 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 493 | 10 | 4 | 5 | 4.6 | C[C@](N)(COP(=O)(O)O)c1nc(-c2ccc(OCCc3ccc(-c4ccccc4)cc3)cc2)c[nH]1 | 10.1016/j.bmcl.2009.02.073 | ||
44565717 | 196309 | 0 | None | -7 | 4 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 479 | 9 | 4 | 5 | 4.6 | C[C@](N)(COP(=O)(O)O)c1nc(-c2ccc(OCc3ccc(-c4ccccc4)cc3)cc2)c[nH]1 | 10.1016/j.bmcl.2010.02.098 | ||
CHEMBL514170 | 196309 | 0 | None | -7 | 4 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 479 | 9 | 4 | 5 | 4.6 | C[C@](N)(COP(=O)(O)O)c1nc(-c2ccc(OCc3ccc(-c4ccccc4)cc3)cc2)c[nH]1 | 10.1016/j.bmcl.2010.02.098 | ||
53317713 | 64767 | 0 | None | -5 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 416 | 6 | 1 | 4 | 4.7 | O=C(O)C1CN(Cc2ccc(-c3nc4ccc(Cc5ccccc5)cc4o3)c(F)c2)C1 | 10.1021/ml100228m | ||
CHEMBL1672555 | 64767 | 0 | None | -5 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 416 | 6 | 1 | 4 | 4.7 | O=C(O)C1CN(Cc2ccc(-c3nc4ccc(Cc5ccccc5)cc4o3)c(F)c2)C1 | 10.1021/ml100228m | ||
53326037 | 64169 | 0 | None | -1 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 433 | 6 | 1 | 5 | 4.6 | O=C(O)C1CN(Cc2ccc(-c3nc4cnc(Cc5ccccc5)cc4s3)c(F)c2)C1 | 10.1021/ml100306h | ||
CHEMBL1651856 | 64169 | 0 | None | -1 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 433 | 6 | 1 | 5 | 4.6 | O=C(O)C1CN(Cc2ccc(-c3nc4cnc(Cc5ccccc5)cc4s3)c(F)c2)C1 | 10.1021/ml100306h | ||
127046742 | 146705 | 0 | None | -50 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 510 | 12 | 3 | 9 | 3.0 | CCc1cc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)cc(OC2CCC2)n1 | 10.1016/j.ejmech.2016.03.020 | ||
CHEMBL3799580 | 146705 | 0 | None | -50 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 510 | 12 | 3 | 9 | 3.0 | CCc1cc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)cc(OC2CCC2)n1 | 10.1016/j.ejmech.2016.03.020 | ||
56949141 | 154915 | 0 | None | -48 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 348 | 5 | 1 | 5 | 4.5 | Nc1ncccc1-c1noc(CCC2(c3ccccc3)CCCCC2)n1 | nan | ||
CHEMBL3935426 | 154915 | 0 | None | -48 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 348 | 5 | 1 | 5 | 4.5 | Nc1ncccc1-c1noc(CCC2(c3ccccc3)CCCCC2)n1 | nan | ||
127046323 | 146792 | 0 | None | -79 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 496 | 11 | 3 | 8 | 2.8 | CCc1cc(-c2noc(-c3cc(C)c(CN(C)C)c(C)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1016/j.ejmech.2016.03.048 | ||
CHEMBL3800093 | 146792 | 0 | None | -79 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 496 | 11 | 3 | 8 | 2.8 | CCc1cc(-c2noc(-c3cc(C)c(CN(C)C)c(C)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1016/j.ejmech.2016.03.048 | ||
11854857 | 111490 | 0 | None | -616 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 469 | 10 | 2 | 5 | 4.7 | Cc1cc(CCC(=O)c2sc(C)c3c2C[C@@H]2[C@H]3C2(C)C)cc(C)c1OCCCNC(=O)CO | 10.1021/jm4014373 | ||
CHEMBL3105483 | 111490 | 0 | None | -616 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 469 | 10 | 2 | 5 | 4.7 | Cc1cc(CCC(=O)c2sc(C)c3c2C[C@@H]2[C@H]3C2(C)C)cc(C)c1OCCCNC(=O)CO | 10.1021/jm4014373 | ||
57394329 | 77471 | 0 | None | -295 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 461 | 7 | 2 | 5 | 5.4 | O=C(O)CCC(=O)Nc1ccc(-c2nc3ccc(C4(c5ccccc5)CC4)nc3s2)c(F)c1 | 10.1016/j.bmcl.2011.12.073 | ||
CHEMBL1950567 | 77471 | 0 | None | -295 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 461 | 7 | 2 | 5 | 5.4 | O=C(O)CCC(=O)Nc1ccc(-c2nc3ccc(C4(c5ccccc5)CC4)nc3s2)c(F)c1 | 10.1016/j.bmcl.2011.12.073 | ||
66931911 | 146378 | 0 | None | -56 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 510 | 13 | 3 | 8 | 3.3 | CCc1cc(-c2noc(-c3ccc(CN(CC)CC)c(C)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1016/j.ejmech.2016.03.048 | ||
CHEMBL3797436 | 146378 | 0 | None | -56 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 510 | 13 | 3 | 8 | 3.3 | CCc1cc(-c2noc(-c3ccc(CN(CC)CC)c(C)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1016/j.ejmech.2016.03.048 | ||
127048142 | 146610 | 0 | None | -173 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 525 | 13 | 3 | 9 | 2.9 | CCc1cc(-c2noc(-c3cc(C)nc(CN(C)CC(C)C)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1016/j.ejmech.2016.03.048 | ||
CHEMBL3799026 | 146610 | 0 | None | -173 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 525 | 13 | 3 | 9 | 2.9 | CCc1cc(-c2noc(-c3cc(C)nc(CN(C)CC(C)C)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1016/j.ejmech.2016.03.048 | ||
70681813 | 82047 | 0 | None | -69 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 451 | 4 | 2 | 4 | 4.9 | Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(C(F)(F)F)c2)c(=O)c2cccc(CN)c21 | 10.1021/ml200252b | ||
CHEMBL2037122 | 82047 | 0 | None | -69 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 451 | 4 | 2 | 4 | 4.9 | Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(C(F)(F)F)c2)c(=O)c2cccc(CN)c21 | 10.1021/ml200252b | ||
46881537 | 14097 | 0 | None | -169 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 475 | 12 | 3 | 7 | 2.4 | CCCN(CC1CC1)c1cc(C(=O)Nc2ccc(S(=O)(=O)NCCC(=O)O)cc2C)ncn1 | nan | ||
CHEMBL1086157 | 14097 | 0 | None | -169 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 475 | 12 | 3 | 7 | 2.4 | CCCN(CC1CC1)c1cc(C(=O)Nc2ccc(S(=O)(=O)NCCC(=O)O)cc2C)ncn1 | nan | ||
11854356 | 111466 | 0 | None | -169 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 475 | 9 | 1 | 5 | 4.7 | Cc1cc(CCC(=O)c2sc(C)c3c2C[C@@H]2[C@H]3C2(C)C)cc(C)c1OCCNS(C)(=O)=O | 10.1021/jm4014373 | ||
CHEMBL3105246 | 111466 | 0 | None | -169 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 475 | 9 | 1 | 5 | 4.7 | Cc1cc(CCC(=O)c2sc(C)c3c2C[C@@H]2[C@H]3C2(C)C)cc(C)c1OCCNS(C)(=O)=O | 10.1021/jm4014373 | ||
118716142 | 121654 | 0 | None | -61 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 452 | 9 | 4 | 6 | 3.4 | NC(CO)(CCc1ccc(-c2coc(-c3ccc(Cl)cc3)n2)cc1)COP(=O)(O)O | 10.1016/j.ejmech.2014.07.081 | ||
CHEMBL3341920 | 121654 | 0 | None | -61 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 452 | 9 | 4 | 6 | 3.4 | NC(CO)(CCc1ccc(-c2coc(-c3ccc(Cl)cc3)n2)cc1)COP(=O)(O)O | 10.1016/j.ejmech.2014.07.081 | ||
11852233 | 112335 | 0 | None | -467 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 501 | 12 | 3 | 6 | 4.8 | Cc1cc(CCC(=O)c2sc(C)c3c2CCC(C)(C)C3)cc(C)c1OCC(O)CNCCC(=O)O | 10.1021/jm401456d | ||
CHEMBL3121990 | 112335 | 0 | None | -467 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 501 | 12 | 3 | 6 | 4.8 | Cc1cc(CCC(=O)c2sc(C)c3c2CCC(C)(C)C3)cc(C)c1OCC(O)CNCCC(=O)O | 10.1021/jm401456d | ||
44217169 | 146645 | 0 | None | -44 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 524 | 13 | 3 | 8 | 3.5 | CCc1cc(-c2noc(-c3ccc(CN(C)CC(C)C)c(C)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1016/j.ejmech.2016.03.048 | ||
CHEMBL3799260 | 146645 | 0 | None | -44 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 524 | 13 | 3 | 8 | 3.5 | CCc1cc(-c2noc(-c3ccc(CN(C)CC(C)C)c(C)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1016/j.ejmech.2016.03.048 | ||
76321897 | 112560 | 0 | None | -64 | 2 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 468 | 11 | 3 | 8 | 2.7 | CCc1cc(-c2noc(-c3ccc(CC(C)C)nc3)n2)cc(C)c1OC[C@H](O)CNC(=O)CO | 10.1021/jm4014696 | ||
CHEMBL3126628 | 112560 | 0 | None | -64 | 2 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 468 | 11 | 3 | 8 | 2.7 | CCc1cc(-c2noc(-c3ccc(CC(C)C)nc3)n2)cc(C)c1OC[C@H](O)CNC(=O)CO | 10.1021/jm4014696 | ||
46237046 | 15665 | 0 | None | 1 | 2 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 336 | 3 | 0 | 3 | 4.9 | Cc1ccccc1/C=C1\S/C(=N\C(C)C)N(c2ccccc2)C1=O | 10.1021/jm100181s | ||
CHEMBL1097526 | 15665 | 0 | None | 1 | 2 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 336 | 3 | 0 | 3 | 4.9 | Cc1ccccc1/C=C1\S/C(=N\C(C)C)N(c2ccccc2)C1=O | 10.1021/jm100181s | ||
46237050 | 15706 | 0 | None | 1 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 366 | 5 | 1 | 4 | 4.1 | CC(C)/N=C1\S/C(=C\c2ccc(CCO)cc2)C(=O)N1c1ccccc1 | 10.1021/jm100181s | ||
CHEMBL1097843 | 15706 | 0 | None | 1 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 366 | 5 | 1 | 4 | 4.1 | CC(C)/N=C1\S/C(=C\c2ccc(CCO)cc2)C(=O)N1c1ccccc1 | 10.1021/jm100181s | ||
46236268 | 15780 | 0 | None | 1 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 386 | 4 | 1 | 4 | 5.3 | CCC(C)/N=C1\S/C(=C\c2ccc(O)c(Cl)c2)C(=O)N1c1ccccc1 | 10.1021/jm100181s | ||
CHEMBL1098447 | 15780 | 0 | None | 1 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 386 | 4 | 1 | 4 | 5.3 | CCC(C)/N=C1\S/C(=C\c2ccc(O)c(Cl)c2)C(=O)N1c1ccccc1 | 10.1021/jm100181s | ||
59202018 | 112309 | 0 | None | -75 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 447 | 12 | 3 | 6 | 3.2 | Cc1cc(CCC(=O)c2ccc(CC(C)C)s2)cc(C)c1OCC(O)CNC(=O)CO | 10.1021/jm401456d | ||
CHEMBL3121963 | 112309 | 0 | None | -75 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 447 | 12 | 3 | 6 | 3.2 | Cc1cc(CCC(=O)c2ccc(CC(C)C)s2)cc(C)c1OCC(O)CNC(=O)CO | 10.1021/jm401456d | ||
57570497 | 94369 | 0 | None | -2951 | 2 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 490 | 10 | 2 | 4 | 6.6 | C/C(=N\OCc1ccc(C2CCCCC2)c(C(F)(F)F)c1)c1ccc(CNCCC(=O)O)c(C)c1 | 10.1021/ml300396r | ||
CHEMBL2336067 | 94369 | 0 | None | -2951 | 2 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 490 | 10 | 2 | 4 | 6.6 | C/C(=N\OCc1ccc(C2CCCCC2)c(C(F)(F)F)c1)c1ccc(CNCCC(=O)O)c(C)c1 | 10.1021/ml300396r | ||
44625666 | 94385 | 0 | None | -331 | 2 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 476 | 10 | 2 | 5 | 5.9 | C/C(=N\OCc1ccc(-c2cccs2)c(C(F)(F)F)c1)c1ccc(CNCCC(=O)O)cc1 | 10.1021/ml300396r | ||
CHEMBL2336084 | 94385 | 0 | None | -331 | 2 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 476 | 10 | 2 | 5 | 5.9 | C/C(=N\OCc1ccc(-c2cccs2)c(C(F)(F)F)c1)c1ccc(CNCCC(=O)O)cc1 | 10.1021/ml300396r | ||
56948781 | 152429 | 0 | None | -17 | 2 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 368 | 5 | 0 | 3 | 5.9 | Fc1ccc(-c2noc(CCC3(c4ccccc4)CCCCC3)n2)cc1F | nan | ||
CHEMBL3915834 | 152429 | 0 | None | -17 | 2 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 368 | 5 | 0 | 3 | 5.9 | Fc1ccc(-c2noc(CCC3(c4ccccc4)CCCCC3)n2)cc1F | nan | ||
76336363 | 112548 | 0 | None | -630 | 2 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 497 | 12 | 3 | 9 | 2.7 | CCc1cc(-c2noc(-c3ccc(N(CC)CC)c(C)n3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1021/jm4014696 | ||
CHEMBL3126616 | 112548 | 0 | None | -630 | 2 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 497 | 12 | 3 | 9 | 2.7 | CCc1cc(-c2noc(-c3ccc(N(CC)CC)c(C)n3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1021/jm4014696 | ||
11853834 | 111488 | 0 | None | -398 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 485 | 11 | 3 | 6 | 4.2 | Cc1cc(CCC(=O)c2sc(C)c3c2C[C@@H]2[C@H]3C2(C)C)cc(C)c1OCC(O)CNCC(=O)O | 10.1021/jm4014373 | ||
CHEMBL3105481 | 111488 | 0 | None | -398 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 485 | 11 | 3 | 6 | 4.2 | Cc1cc(CCC(=O)c2sc(C)c3c2C[C@@H]2[C@H]3C2(C)C)cc(C)c1OCC(O)CNCC(=O)O | 10.1021/jm4014373 | ||
57508868 | 112326 | 0 | None | -380 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 430 | 9 | 2 | 5 | 4.6 | CCc1sc(C(=O)CCc2cc(C)c(OCC(O)CO)c(C)c2)c2c1CC(C)CC2 | 10.1021/jm401456d | ||
CHEMBL3121981 | 112326 | 0 | None | -380 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 430 | 9 | 2 | 5 | 4.6 | CCc1sc(C(=O)CCc2cc(C)c(OCC(O)CO)c(C)c2)c2c1CC(C)CC2 | 10.1021/jm401456d | ||
10904818 | 7091 | 0 | None | -2 | 4 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 373 | 13 | 3 | 4 | 3.8 | CCCCCCCOc1ccc(cc1)CC[C@](COP(=O)(O)O)(N)C | 10.1016/j.bmcl.2005.09.038 | ||
2937 | 7091 | 0 | None | -2 | 4 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 373 | 13 | 3 | 4 | 3.8 | CCCCCCCOc1ccc(cc1)CC[C@](COP(=O)(O)O)(N)C | 10.1016/j.bmcl.2005.09.038 | ||
CHEMBL382739 | 7091 | 0 | None | -2 | 4 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 373 | 13 | 3 | 4 | 3.8 | CCCCCCCOc1ccc(cc1)CC[C@](COP(=O)(O)O)(N)C | 10.1016/j.bmcl.2005.09.038 | ||
118707195 | 119819 | 0 | None | -21 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 453 | 12 | 3 | 5 | 3.7 | Cc1ccc(CCCC(=O)c2ccc(COC[C@@](C)(N)COP(=O)(O)O)c(F)c2)cc1 | 10.1016/j.bmc.2014.05.035 | ||
CHEMBL3311350 | 119819 | 0 | None | -21 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 453 | 12 | 3 | 5 | 3.7 | Cc1ccc(CCCC(=O)c2ccc(COC[C@@](C)(N)COP(=O)(O)O)c(F)c2)cc1 | 10.1016/j.bmc.2014.05.035 | ||
57400521 | 77700 | 0 | None | -794 | 2 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 475 | 8 | 1 | 7 | 5.6 | CCc1cc(CN2CC(C(=O)O)C2)sc1-c1noc(-c2ccc(Oc3ccccc3)c(C)c2)n1 | 10.1016/j.bmcl.2011.12.019 | ||
CHEMBL1951319 | 77700 | 0 | None | -794 | 2 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 475 | 8 | 1 | 7 | 5.6 | CCc1cc(CN2CC(C(=O)O)C2)sc1-c1noc(-c2ccc(Oc3ccccc3)c(C)c2)n1 | 10.1016/j.bmcl.2011.12.019 | ||
53318790 | 64768 | 0 | None | -8 | 2 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 415 | 6 | 1 | 4 | 4.2 | O=C(O)C1CN(Cc2ccc(-c3cn4ccc(Cc5ccccc5)cc4n3)c(F)c2)C1 | 10.1021/ml100228m | ||
CHEMBL1672556 | 64768 | 0 | None | -8 | 2 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 415 | 6 | 1 | 4 | 4.2 | O=C(O)C1CN(Cc2ccc(-c3cn4ccc(Cc5ccccc5)cc4n3)c(F)c2)C1 | 10.1021/ml100228m | ||
118716181 | 121678 | 0 | None | -28 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 486 | 9 | 4 | 7 | 2.7 | NC(CO)(CCc1ccc(-c2cn(-c3ccc(C(F)(F)F)cc3)nn2)cc1)COP(=O)(O)O | 10.1016/j.ejmech.2014.07.081 | ||
CHEMBL3342006 | 121678 | 0 | None | -28 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 486 | 9 | 4 | 7 | 2.7 | NC(CO)(CCc1ccc(-c2cn(-c3ccc(C(F)(F)F)cc3)nn2)cc1)COP(=O)(O)O | 10.1016/j.ejmech.2014.07.081 | ||
44199450 | 112557 | 1 | None | -295 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 497 | 12 | 3 | 9 | 2.7 | CCc1cc(-c2noc(-c3cnc(N(CC)CC)c(C)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1021/jm4014696 | ||
CHEMBL3126625 | 112557 | 1 | None | -295 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 497 | 12 | 3 | 9 | 2.7 | CCc1cc(-c2noc(-c3cnc(N(CC)CC)c(C)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1021/jm4014696 | ||
76318198 | 112547 | 0 | None | -3090 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 497 | 12 | 3 | 9 | 2.7 | CCc1cc(-c2noc(-c3cc(C)c(N(CC)CC)cn3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1021/jm4014696 | ||
CHEMBL3126615 | 112547 | 0 | None | -3090 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 497 | 12 | 3 | 9 | 2.7 | CCc1cc(-c2noc(-c3cc(C)c(N(CC)CC)cn3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1021/jm4014696 | ||
25154344 | 13312 | 0 | None | -20 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 515 | 11 | 3 | 7 | 3.3 | Cc1cc(S(=O)(=O)NCCC(=O)O)ccc1NC(=O)c1cc(N(CC2CC2)C2CCCCC2)ncn1 | nan | ||
CHEMBL1082869 | 13312 | 0 | None | -20 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 515 | 11 | 3 | 7 | 3.3 | Cc1cc(S(=O)(=O)NCCC(=O)O)ccc1NC(=O)c1cc(N(CC2CC2)C2CCCCC2)ncn1 | nan | ||
25154344 | 13312 | 0 | None | -20 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 515 | 11 | 3 | 7 | 3.3 | Cc1cc(S(=O)(=O)NCCC(=O)O)ccc1NC(=O)c1cc(N(CC2CC2)C2CCCCC2)ncn1 | 10.1016/j.bmcl.2010.01.102 | ||
CHEMBL1082869 | 13312 | 0 | None | -20 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 515 | 11 | 3 | 7 | 3.3 | Cc1cc(S(=O)(=O)NCCC(=O)O)ccc1NC(=O)c1cc(N(CC2CC2)C2CCCCC2)ncn1 | 10.1016/j.bmcl.2010.01.102 | ||
76325392 | 112325 | 0 | None | -154 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 470 | 9 | 2 | 5 | 5.5 | CCc1sc(C(=O)CCc2cc(C)c(OC[C@@H](O)CO)c(C)c2)c2c1CC1(CCCC1)CC2 | 10.1021/jm401456d | ||
CHEMBL3121980 | 112325 | 0 | None | -154 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 470 | 9 | 2 | 5 | 5.5 | CCc1sc(C(=O)CCc2cc(C)c(OC[C@@H](O)CO)c(C)c2)c2c1CC1(CCCC1)CC2 | 10.1021/jm401456d | ||
11682696 | 86720 | 0 | None | -562 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 396 | 8 | 1 | 6 | 4.5 | COc1cc(-c2nc(-c3ccc(CCC(=O)O)cc3C)no2)ccc1OC(C)C | 10.1016/j.bmcl.2006.04.084 | ||
CHEMBL212580 | 86720 | 0 | None | -562 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 396 | 8 | 1 | 6 | 4.5 | COc1cc(-c2nc(-c3ccc(CCC(=O)O)cc3C)no2)ccc1OC(C)C | 10.1016/j.bmcl.2006.04.084 | ||
46846915 | 146791 | 0 | None | -15848 | 2 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 450 | 7 | 1 | 7 | 4.1 | CC(C)Cc1onc(-c2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3)no2)c1C(F)(F)F | 10.1021/acs.jmedchem.6b00089 | ||
CHEMBL3800091 | 146791 | 0 | None | -15848 | 2 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 450 | 7 | 1 | 7 | 4.1 | CC(C)Cc1onc(-c2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3)no2)c1C(F)(F)F | 10.1021/acs.jmedchem.6b00089 | ||
11568129 | 111180 | 0 | None | -776 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 428 | 8 | 2 | 5 | 4.5 | Cc1cc(CCC(=O)c2sc(C)c3c2C[C@@H]2[C@H]3C2(C)C)cc(C)c1OC[C@@H](O)CO | 10.1021/jm4014373 | ||
CHEMBL3102993 | 111180 | 0 | None | -776 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 428 | 8 | 2 | 5 | 4.5 | Cc1cc(CCC(=O)c2sc(C)c3c2C[C@@H]2[C@H]3C2(C)C)cc(C)c1OC[C@@H](O)CO | 10.1021/jm4014373 | ||
56835182 | 76658 | 0 | None | -30 | 2 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 485 | 6 | 1 | 6 | 4.5 | CCC1SCCN1C(=O)c1ccc2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3F)sc2c1 | 10.1016/j.bmcl.2011.10.069 | ||
CHEMBL1938934 | 76658 | 0 | None | -30 | 2 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 485 | 6 | 1 | 6 | 4.5 | CCC1SCCN1C(=O)c1ccc2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3F)sc2c1 | 10.1016/j.bmcl.2011.10.069 | ||
44565597 | 186066 | 0 | None | -6 | 4 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 436 | 12 | 4 | 5 | 3.2 | C[C@](N)(COP(=O)(O)O)C(=O)Nc1ccc(OCCCCCc2ccccc2)cc1 | 10.1016/j.bmcl.2009.02.073 | ||
CHEMBL473156 | 186066 | 0 | None | -6 | 4 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 436 | 12 | 4 | 5 | 3.2 | C[C@](N)(COP(=O)(O)O)C(=O)Nc1ccc(OCCCCCc2ccccc2)cc1 | 10.1016/j.bmcl.2009.02.073 | ||
56948659 | 160849 | 0 | None | -30 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 332 | 5 | 0 | 3 | 5.6 | c1ccc(-c2noc(CCC3(c4ccccc4)CCCCC3)n2)cc1 | 10.1021/acs.jmedchem.6b01575 | ||
CHEMBL3984700 | 160849 | 0 | None | -30 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 332 | 5 | 0 | 3 | 5.6 | c1ccc(-c2noc(CCC3(c4ccccc4)CCCCC3)n2)cc1 | 10.1021/acs.jmedchem.6b01575 | ||
56948659 | 160849 | 0 | None | -30 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 332 | 5 | 0 | 3 | 5.6 | c1ccc(-c2noc(CCC3(c4ccccc4)CCCCC3)n2)cc1 | nan | ||
CHEMBL3984700 | 160849 | 0 | None | -30 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 332 | 5 | 0 | 3 | 5.6 | c1ccc(-c2noc(CCC3(c4ccccc4)CCCCC3)n2)cc1 | nan | ||
127046130 | 146693 | 0 | None | -144 | 2 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 402 | 6 | 1 | 7 | 3.6 | O=C(O)C1CN(Cc2ccc(-c3noc(-c4cc(-c5ccccc5)on4)n3)cc2)C1 | 10.1021/acs.jmedchem.6b00089 | ||
CHEMBL3799501 | 146693 | 0 | None | -144 | 2 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 402 | 6 | 1 | 7 | 3.6 | O=C(O)C1CN(Cc2ccc(-c3noc(-c4cc(-c5ccccc5)on4)n3)cc2)C1 | 10.1021/acs.jmedchem.6b00089 | ||
54756908 | 72739 | 0 | None | -794 | 2 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 434 | 7 | 2 | 8 | 2.8 | CC(C)Oc1ccc(-c2nc(-c3ccc4c(c3)CCN(C(CO)CO)C4)no2)cc1C#N | 10.1021/jm200609t | ||
CHEMBL1836214 | 72739 | 0 | None | -794 | 2 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 434 | 7 | 2 | 8 | 2.8 | CC(C)Oc1ccc(-c2nc(-c3ccc4c(c3)CCN(C(CO)CO)C4)no2)cc1C#N | 10.1021/jm200609t | ||
44129140 | 123200 | 0 | None | -251 | 2 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 376 | 4 | 1 | 7 | 3.5 | CC(C)Oc1ccc(-c2nc(-c3ccc4c(c3)CNCCO4)no2)cc1C#N | 10.1021/jm5010336 | ||
CHEMBL3360368 | 123200 | 0 | None | -251 | 2 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 376 | 4 | 1 | 7 | 3.5 | CC(C)Oc1ccc(-c2nc(-c3ccc4c(c3)CNCCO4)no2)cc1C#N | 10.1021/jm5010336 | ||
46881877 | 13877 | 0 | None | -9 | 4 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 359 | 13 | 2 | 5 | 3.8 | CCCCCCCOc1ccc(CC[C@](C)(N)CCc2nnn[nH]2)cc1 | 10.1016/j.bmcl.2010.01.118 | ||
CHEMBL1085191 | 13877 | 0 | None | -9 | 4 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 359 | 13 | 2 | 5 | 3.8 | CCCCCCCOc1ccc(CC[C@](C)(N)CCc2nnn[nH]2)cc1 | 10.1016/j.bmcl.2010.01.118 | ||
72793811 | 111469 | 0 | None | -93 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 440 | 6 | 2 | 7 | 4.4 | Cc1cc(-c2nnc(-c3sc(C)c4c3C[C@@H]3[C@H]4C3(C)C)o2)cc(C)c1OCC(O)CO | 10.1021/jm4014373 | ||
CHEMBL3105249 | 111469 | 0 | None | -93 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 440 | 6 | 2 | 7 | 4.4 | Cc1cc(-c2nnc(-c3sc(C)c4c3C[C@@H]3[C@H]4C3(C)C)o2)cc(C)c1OCC(O)CO | 10.1021/jm4014373 | ||
72793822 | 111485 | 0 | None | -15 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 497 | 8 | 3 | 8 | 3.5 | Cc1cc(-c2noc(-c3sc(C)c4c3C[C@@H]3[C@H]4C3(C)C)n2)cc(C)c1OCC(O)CNC(=O)CO | 10.1021/jm401456d | ||
CHEMBL3105478 | 111485 | 0 | None | -15 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 497 | 8 | 3 | 8 | 3.5 | Cc1cc(-c2noc(-c3sc(C)c4c3C[C@@H]3[C@H]4C3(C)C)n2)cc(C)c1OCC(O)CNC(=O)CO | 10.1021/jm401456d | ||
66829256 | 146790 | 0 | None | -741 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 488 | 11 | 3 | 9 | 2.6 | CCc1cc(-c2noc(-c3cc(C)c(CN(C)C)s3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1016/j.ejmech.2016.03.048 | ||
CHEMBL3800086 | 146790 | 0 | None | -741 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 488 | 11 | 3 | 9 | 2.6 | CCc1cc(-c2noc(-c3cc(C)c(CN(C)C)s3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1016/j.ejmech.2016.03.048 | ||
25182913 | 155078 | 0 | None | -34 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 378 | 6 | 2 | 5 | 4.0 | CC(C)CN(c1cc(C(=O)Nc2ccc3[nH]ncc3c2)ncn1)C1CCCC1 | nan | ||
CHEMBL3936796 | 155078 | 0 | None | -34 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 378 | 6 | 2 | 5 | 4.0 | CC(C)CN(c1cc(C(=O)Nc2ccc3[nH]ncc3c2)ncn1)C1CCCC1 | nan | ||
46237048 | 15667 | 0 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 352 | 4 | 0 | 4 | 4.6 | COc1ccccc1/C=C1\S/C(=N\C(C)C)N(c2ccccc2)C1=O | 10.1021/jm100181s | ||
CHEMBL1097528 | 15667 | 0 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 352 | 4 | 0 | 4 | 4.6 | COc1ccccc1/C=C1\S/C(=N\C(C)C)N(c2ccccc2)C1=O | 10.1021/jm100181s | ||
11405953 | 70202 | 0 | None | -44 | 2 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 367 | 13 | 2 | 3 | 4.6 | O=C(O)CCNC/C=C/c1ccc(OCCCCCc2ccccc2)cc1 | 10.1016/j.bmcl.2011.05.029 | ||
CHEMBL1797499 | 70202 | 0 | None | -44 | 2 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 367 | 13 | 2 | 3 | 4.6 | O=C(O)CCNC/C=C/c1ccc(OCCCCCc2ccccc2)cc1 | 10.1016/j.bmcl.2011.05.029 | ||
76336569 | 112858 | 0 | None | -9 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 435 | 13 | 4 | 4 | 3.5 | CCCCc1ccc(CCc2ccc(CCC(N)(CO)COP(=O)(O)O)cc2)cc1 | 10.1039/C3MD00079F | ||
CHEMBL3133606 | 112858 | 0 | None | -9 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 435 | 13 | 4 | 4 | 3.5 | CCCCc1ccc(CCc2ccc(CCC(N)(CO)COP(=O)(O)O)cc2)cc1 | 10.1039/C3MD00079F | ||
46236665 | 15300 | 0 | None | -1 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 386 | 4 | 1 | 4 | 4.9 | CC(C)/N=C1\S/C(=C\c2ccc(O)c(Cl)c2)C(=O)N1Cc1ccccc1 | 10.1021/jm100181s | ||
CHEMBL1094248 | 15300 | 0 | None | -1 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 386 | 4 | 1 | 4 | 4.9 | CC(C)/N=C1\S/C(=C\c2ccc(O)c(Cl)c2)C(=O)N1Cc1ccccc1 | 10.1021/jm100181s | ||
53320088 | 64766 | 0 | None | -52 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 415 | 6 | 1 | 3 | 5.3 | O=C(O)C1CN(Cc2ccc(-c3cc4ccc(Cc5ccccc5)cc4o3)c(F)c2)C1 | 10.1021/ml100228m | ||
CHEMBL1672554 | 64766 | 0 | None | -52 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 415 | 6 | 1 | 3 | 5.3 | O=C(O)C1CN(Cc2ccc(-c3cc4ccc(Cc5ccccc5)cc4o3)c(F)c2)C1 | 10.1021/ml100228m | ||
46237052 | 15570 | 0 | None | -1 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 396 | 7 | 1 | 5 | 4.3 | CC(C)/N=C1\S/C(=C\c2ccc(OCCCO)cc2)C(=O)N1c1ccccc1 | 10.1021/jm100181s | ||
CHEMBL1096676 | 15570 | 0 | None | -1 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 396 | 7 | 1 | 5 | 4.3 | CC(C)/N=C1\S/C(=C\c2ccc(OCCCO)cc2)C(=O)N1c1ccccc1 | 10.1021/jm100181s | ||
46846899 | 146724 | 0 | None | -2511 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 458 | 9 | 1 | 7 | 4.9 | CCCCc1c(-c2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3)no2)noc1-c1ccccc1 | 10.1021/acs.jmedchem.6b00089 | ||
CHEMBL3799701 | 146724 | 0 | None | -2511 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 458 | 9 | 1 | 7 | 4.9 | CCCCc1c(-c2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3)no2)noc1-c1ccccc1 | 10.1021/acs.jmedchem.6b00089 | ||
53322735 | 64771 | 0 | None | -33 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 450 | 6 | 1 | 4 | 5.3 | O=C(O)C1CN(Cc2ccc(-c3nc4cc(Cc5cccc(F)c5)ccc4s3)c(F)c2)C1 | 10.1021/ml100228m | ||
CHEMBL1672559 | 64771 | 0 | None | -33 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 450 | 6 | 1 | 4 | 5.3 | O=C(O)C1CN(Cc2ccc(-c3nc4cc(Cc5cccc(F)c5)ccc4s3)c(F)c2)C1 | 10.1021/ml100228m | ||
49872066 | 146588 | 0 | None | -95 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 524 | 11 | 3 | 9 | 3.6 | CCc1cc(-c2noc(-c3cc(OC)nc(C4CCCCC4)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1016/j.ejmech.2016.03.020 | ||
CHEMBL3798839 | 146588 | 0 | None | -95 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 524 | 11 | 3 | 9 | 3.6 | CCc1cc(-c2noc(-c3cc(OC)nc(C4CCCCC4)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1016/j.ejmech.2016.03.020 | ||
72793822 | 111485 | 0 | None | -15 | 2 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 497 | 8 | 3 | 8 | 3.5 | Cc1cc(-c2noc(-c3sc(C)c4c3C[C@@H]3[C@H]4C3(C)C)n2)cc(C)c1OCC(O)CNC(=O)CO | 10.1021/jm4014373 | ||
CHEMBL3105478 | 111485 | 0 | None | -15 | 2 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 497 | 8 | 3 | 8 | 3.5 | Cc1cc(-c2noc(-c3sc(C)c4c3C[C@@H]3[C@H]4C3(C)C)n2)cc(C)c1OCC(O)CNC(=O)CO | 10.1021/jm4014373 | ||
45377797 | 90891 | 0 | None | -288 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 456 | 11 | 2 | 6 | 4.4 | CCCCN(C(=O)c1ccccc1F)c1nnc(-c2ccc(CNCCC(=O)O)cc2)s1 | 10.1016/j.bmcl.2012.09.110 | ||
CHEMBL2207777 | 90891 | 0 | None | -288 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 456 | 11 | 2 | 6 | 4.4 | CCCCN(C(=O)c1ccccc1F)c1nnc(-c2ccc(CNCCC(=O)O)cc2)s1 | 10.1016/j.bmcl.2012.09.110 | ||
76329075 | 112536 | 0 | None | -380 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 468 | 12 | 3 | 8 | 2.9 | CCCCc1cc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)ccn1 | 10.1021/jm4014696 | ||
CHEMBL3126604 | 112536 | 0 | None | -380 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 468 | 12 | 3 | 8 | 2.9 | CCCCc1cc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)ccn1 | 10.1021/jm4014696 | ||
127046548 | 146381 | 0 | None | -234 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 510 | 11 | 3 | 9 | 3.2 | CCc1cc(-c2noc(-c3cnc(C4CCCC4)c(OC)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1016/j.ejmech.2016.03.020 | ||
CHEMBL3797447 | 146381 | 0 | None | -234 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 510 | 11 | 3 | 9 | 3.2 | CCc1cc(-c2noc(-c3cnc(C4CCCC4)c(OC)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1016/j.ejmech.2016.03.020 | ||
49872065 | 146408 | 0 | None | -117 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 510 | 11 | 3 | 9 | 3.2 | CCc1cc(-c2noc(-c3cc(OC)nc(C4CCCC4)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1016/j.ejmech.2016.03.020 | ||
CHEMBL3797626 | 146408 | 0 | None | -117 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 510 | 11 | 3 | 9 | 3.2 | CCc1cc(-c2noc(-c3cc(OC)nc(C4CCCC4)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1016/j.ejmech.2016.03.020 | ||
44599687 | 77466 | 0 | None | -194 | 2 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 447 | 8 | 2 | 5 | 5.9 | O=C(O)CCCNc1ccc(-c2nc3ccc(C4(c5ccccc5)CC4)nc3s2)c(F)c1 | 10.1016/j.bmcl.2011.12.073 | ||
CHEMBL1950562 | 77466 | 0 | None | -194 | 2 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 447 | 8 | 2 | 5 | 5.9 | O=C(O)CCCNc1ccc(-c2nc3ccc(C4(c5ccccc5)CC4)nc3s2)c(F)c1 | 10.1016/j.bmcl.2011.12.073 | ||
23121435 | 70204 | 0 | None | -301 | 2 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 387 | 12 | 2 | 3 | 4.8 | O=C(O)CCNC/C=C/c1ccc(OCCCCc2ccccc2)cc1Cl | 10.1016/j.bmcl.2011.05.029 | ||
CHEMBL1797501 | 70204 | 0 | None | -301 | 2 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 387 | 12 | 2 | 3 | 4.8 | O=C(O)CCNC/C=C/c1ccc(OCCCCc2ccccc2)cc1Cl | 10.1016/j.bmcl.2011.05.029 | ||
11397995 | 94370 | 0 | None | -10232 | 2 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 504 | 11 | 2 | 4 | 6.8 | CCc1cc(/C(C)=N/OCc2ccc(C3CCCCC3)c(C(F)(F)F)c2)ccc1CNCCC(=O)O | 10.1021/ml300396r | ||
CHEMBL2336068 | 94370 | 0 | None | -10232 | 2 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 504 | 11 | 2 | 4 | 6.8 | CCc1cc(/C(C)=N/OCc2ccc(C3CCCCC3)c(C(F)(F)F)c2)ccc1CNCCC(=O)O | 10.1021/ml300396r | ||
46846900 | 146373 | 0 | None | -1288 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 458 | 8 | 1 | 7 | 4.8 | CC(C)Cc1c(-c2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3)no2)noc1-c1ccccc1 | 10.1021/acs.jmedchem.6b00089 | ||
CHEMBL3797415 | 146373 | 0 | None | -1288 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 458 | 8 | 1 | 7 | 4.8 | CC(C)Cc1c(-c2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3)no2)noc1-c1ccccc1 | 10.1021/acs.jmedchem.6b00089 | ||
76325522 | 112511 | 0 | None | -7413 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 480 | 10 | 3 | 8 | 3.2 | CCc1cc(-c2noc(-c3ccnc(C4CCCC4)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1021/jm4014696 | ||
CHEMBL3126433 | 112511 | 0 | None | -7413 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 480 | 10 | 3 | 8 | 3.2 | CCc1cc(-c2noc(-c3ccnc(C4CCCC4)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1021/jm4014696 | ||
16657820 | 112312 | 0 | None | -147 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 487 | 10 | 3 | 8 | 3.7 | Cc1cc(-c2noc(-c3sc(C)c(CC(C)C)c3C)n2)cc(C)c1OCC(O)CNC(=O)CO | 10.1021/jm401456d | ||
CHEMBL3121966 | 112312 | 0 | None | -147 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 487 | 10 | 3 | 8 | 3.7 | Cc1cc(-c2noc(-c3sc(C)c(CC(C)C)c3C)n2)cc(C)c1OCC(O)CNC(=O)CO | 10.1021/jm401456d | ||
57390144 | 76656 | 0 | None | -2 | 2 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 457 | 5 | 1 | 6 | 3.8 | O=C(O)C1CN(Cc2ccc(-c3nc4ccc(C(=O)N5CCSC5)cc4s3)c(F)c2)C1 | 10.1016/j.bmcl.2011.10.069 | ||
CHEMBL1938932 | 76656 | 0 | None | -2 | 2 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 457 | 5 | 1 | 6 | 3.8 | O=C(O)C1CN(Cc2ccc(-c3nc4ccc(C(=O)N5CCSC5)cc4s3)c(F)c2)C1 | 10.1016/j.bmcl.2011.10.069 | ||
11853832 | 111171 | 0 | None | -1548 | 2 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 471 | 11 | 3 | 6 | 4.1 | Cc1cc(CCC(=O)c2sc(C)c3c2C[C@@H]2[C@H]3C2(C)C)cc(C)c1OCC(O)CNCCO | 10.1021/jm4014373 | ||
CHEMBL3102984 | 111171 | 0 | None | -1548 | 2 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 471 | 11 | 3 | 6 | 4.1 | Cc1cc(CCC(=O)c2sc(C)c3c2C[C@@H]2[C@H]3C2(C)C)cc(C)c1OCC(O)CNCCO | 10.1021/jm4014373 | ||
76325532 | 112537 | 0 | None | -3801 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 468 | 11 | 3 | 8 | 2.7 | CCc1cc(-c2noc(-c3ccnc(CC(C)C)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1021/jm4014696 | ||
CHEMBL3126605 | 112537 | 0 | None | -3801 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 468 | 11 | 3 | 8 | 2.7 | CCc1cc(-c2noc(-c3ccnc(CC(C)C)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1021/jm4014696 | ||
25182920 | 151006 | 0 | None | -16 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 465 | 11 | 2 | 7 | 3.9 | COC(=O)CCNCc1ccc(NC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)cc1 | nan | ||
CHEMBL3904549 | 151006 | 0 | None | -16 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 465 | 11 | 2 | 7 | 3.9 | COC(=O)CCNCc1ccc(NC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)cc1 | nan | ||
11853337 | 111496 | 0 | None | -301 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 411 | 8 | 1 | 4 | 5.4 | CNCCOc1c(C)cc(CCC(=O)c2sc(C)c3c2C[C@@H]2[C@H]3C2(C)C)cc1C | 10.1021/jm4014373 | ||
CHEMBL3105489 | 111496 | 0 | None | -301 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 411 | 8 | 1 | 4 | 5.4 | CNCCOc1c(C)cc(CCC(=O)c2sc(C)c3c2C[C@@H]2[C@H]3C2(C)C)cc1C | 10.1021/jm4014373 | ||
23121338 | 70210 | 0 | None | -134 | 2 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 379 | 11 | 2 | 3 | 4.5 | O=C(O)CCNCC1=Cc2ccc(OCCCCc3ccccc3)cc2CC1 | 10.1016/j.bmcl.2011.05.029 | ||
CHEMBL1797507 | 70210 | 0 | None | -134 | 2 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 379 | 11 | 2 | 3 | 4.5 | O=C(O)CCNCC1=Cc2ccc(OCCCCc3ccccc3)cc2CC1 | 10.1016/j.bmcl.2011.05.029 | ||
44125588 | 123174 | 0 | None | -158 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 429 | 5 | 2 | 7 | 3.8 | CC(C)Oc1ccc(-c2nc(-c3ccc4c(c3)CNC(C(=O)O)CO4)no2)cc1Cl | 10.1021/jm5010336 | ||
CHEMBL3359850 | 123174 | 0 | None | -158 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 429 | 5 | 2 | 7 | 3.8 | CC(C)Oc1ccc(-c2nc(-c3ccc4c(c3)CNC(C(=O)O)CO4)no2)cc1Cl | 10.1021/jm5010336 | ||
70694328 | 81760 | 0 | None | -1995 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 466 | 6 | 1 | 4 | 5.7 | O=C(O)C1CN(CCc2ccc3oc(-c4ccc(-c5ccccc5)c(C(F)(F)F)c4)nc3c2)C1 | 10.1016/j.bmcl.2012.04.095 | ||
CHEMBL2032440 | 81760 | 0 | None | -1995 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 466 | 6 | 1 | 4 | 5.7 | O=C(O)C1CN(CCc2ccc3oc(-c4ccc(-c5ccccc5)c(C(F)(F)F)c4)nc3c2)C1 | 10.1016/j.bmcl.2012.04.095 | ||
44128987 | 123171 | 0 | None | -1000 | 2 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 460 | 8 | 1 | 7 | 4.3 | CC(C)Oc1ccc(-c2nc(-c3ccc4c(c3)CCN(CCCC(=O)O)CC4)no2)cc1C#N | 10.1021/jm5010336 | ||
CHEMBL3359847 | 123171 | 0 | None | -1000 | 2 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 460 | 8 | 1 | 7 | 4.3 | CC(C)Oc1ccc(-c2nc(-c3ccc4c(c3)CCN(CCCC(=O)O)CC4)no2)cc1C#N | 10.1021/jm5010336 | ||
44128745 | 123195 | 0 | None | -3981 | 2 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 374 | 4 | 1 | 6 | 3.8 | CC(C)Oc1ccc(-c2nc(-c3cccc4c3CCNCC4)no2)cc1C#N | 10.1021/jm5010336 | ||
CHEMBL3360363 | 123195 | 0 | None | -3981 | 2 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 374 | 4 | 1 | 6 | 3.8 | CC(C)Oc1ccc(-c2nc(-c3cccc4c3CCNCC4)no2)cc1C#N | 10.1021/jm5010336 | ||
44125469 | 123208 | 0 | None | -25 | 2 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 427 | 7 | 1 | 6 | 4.6 | CC(C)Oc1ccc(-c2nc(-c3cccc4c3CN(CCC(=O)O)C4)no2)cc1Cl | 10.1021/jm5010336 | ||
CHEMBL3360376 | 123208 | 0 | None | -25 | 2 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 427 | 7 | 1 | 6 | 4.6 | CC(C)Oc1ccc(-c2nc(-c3cccc4c3CN(CCC(=O)O)C4)no2)cc1Cl | 10.1021/jm5010336 | ||
44217502 | 146756 | 0 | None | -7 | 2 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 538 | 14 | 3 | 8 | 3.8 | CCc1cc(CN(C)CC(C)C)cc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)c1 | 10.1016/j.ejmech.2016.03.048 | ||
CHEMBL3799888 | 146756 | 0 | None | -7 | 2 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 538 | 14 | 3 | 8 | 3.8 | CCc1cc(CN(C)CC(C)C)cc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)c1 | 10.1016/j.ejmech.2016.03.048 | ||
76314474 | 112347 | 0 | None | -1 | 2 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 527 | 10 | 3 | 8 | 4.3 | CCc1cc(-c2noc(-c3sc(CC)c4c3CCC(C)(C)C4)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1021/jm401456d | ||
CHEMBL3122001 | 112347 | 0 | None | -1 | 2 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 527 | 10 | 3 | 8 | 4.3 | CCc1cc(-c2noc(-c3sc(CC)c4c3CCC(C)(C)C4)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1021/jm401456d | ||
45376041 | 90899 | 0 | None | -36 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 482 | 9 | 1 | 6 | 4.6 | CC(C)CCN(C(=O)c1ccccc1F)c1nnc(-c2ccc(CN3CC(C(=O)O)C3)cc2)s1 | 10.1016/j.bmcl.2012.09.110 | ||
CHEMBL2207785 | 90899 | 0 | None | -36 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 482 | 9 | 1 | 6 | 4.6 | CC(C)CCN(C(=O)c1ccccc1F)c1nnc(-c2ccc(CN3CC(C(=O)O)C3)cc2)s1 | 10.1016/j.bmcl.2012.09.110 | ||
57398468 | 77670 | 0 | None | -123 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 491 | 6 | 1 | 7 | 5.7 | O=C(O)C1CN(Cc2cc(-c3noc(-c4cc(-c5ccccc5)c(C(F)(F)F)s4)n3)cs2)C1 | 10.1016/j.bmcl.2011.12.019 | ||
CHEMBL1951147 | 77670 | 0 | None | -123 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 491 | 6 | 1 | 7 | 5.7 | O=C(O)C1CN(Cc2cc(-c3noc(-c4cc(-c5ccccc5)c(C(F)(F)F)s4)n3)cs2)C1 | 10.1016/j.bmcl.2011.12.019 | ||
127046399 | 146421 | 0 | None | -1122 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 510 | 11 | 3 | 9 | 3.2 | CCc1cc(-c2noc(-c3cc(OC)cc(C4CCCC4)n3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1016/j.ejmech.2016.03.020 | ||
CHEMBL3797747 | 146421 | 0 | None | -1122 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 510 | 11 | 3 | 9 | 3.2 | CCc1cc(-c2noc(-c3cc(OC)cc(C4CCCC4)n3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1016/j.ejmech.2016.03.020 | ||
24957029 | 15599 | 0 | None | -2 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 386 | 4 | 1 | 4 | 5.2 | CCC/N=C1\S/C(=C\c2ccc(O)c(Cl)c2)C(=O)N1c1ccccc1C | 10.1021/jm100181s | ||
CHEMBL1096872 | 15599 | 0 | None | -2 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 386 | 4 | 1 | 4 | 5.2 | CCC/N=C1\S/C(=C\c2ccc(O)c(Cl)c2)C(=O)N1c1ccccc1C | 10.1021/jm100181s | ||
127048102 | 146691 | 0 | None | -181 | 2 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 511 | 13 | 3 | 9 | 2.7 | CCc1cc(-c2noc(-c3cc(C)nc(CN(CC)CC)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1016/j.ejmech.2016.03.048 | ||
CHEMBL3799493 | 146691 | 0 | None | -181 | 2 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 511 | 13 | 3 | 9 | 2.7 | CCc1cc(-c2noc(-c3cc(C)nc(CN(CC)CC)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1016/j.ejmech.2016.03.048 | ||
76314473 | 112324 | 0 | None | -741 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 442 | 9 | 2 | 5 | 4.7 | CCc1sc(C(=O)CCc2cc(C)c(OC[C@@H](O)CO)c(C)c2)c2c1CC1(CC2)CC1 | 10.1021/jm401456d | ||
CHEMBL3121979 | 112324 | 0 | None | -741 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 442 | 9 | 2 | 5 | 4.7 | CCc1sc(C(=O)CCc2cc(C)c(OC[C@@H](O)CO)c(C)c2)c2c1CC1(CC2)CC1 | 10.1021/jm401456d | ||
56835064 | 78270 | 0 | None | -14791 | 2 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 439 | 8 | 1 | 3 | 5.3 | CC1=C(CN2CC(C(=O)O)C2)CCc2cc(OC[C@@H](C)Cc3ccc(Cl)cc3)ccc21 | 10.1016/j.bmcl.2011.11.048 | ||
CHEMBL1935587 | 78270 | 0 | None | -14791 | 2 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 439 | 8 | 1 | 3 | 5.3 | CC1=C(CN2CC(C(=O)O)C2)CCc2cc(OC[C@@H](C)Cc3ccc(Cl)cc3)ccc21 | 10.1016/j.bmcl.2011.11.048 | ||
CHEMBL1962536 | 78270 | 0 | None | -14791 | 2 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 439 | 8 | 1 | 3 | 5.3 | CC1=C(CN2CC(C(=O)O)C2)CCc2cc(OC[C@@H](C)Cc3ccc(Cl)cc3)ccc21 | 10.1016/j.bmcl.2011.11.048 | ||
53235405 | 151872 | 0 | None | -6760 | 2 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 404 | 6 | 1 | 5 | 4.4 | CCCc1ccc(-c2onc3c2COc2cc(CN4CC(C(=O)O)C4)ccc2-3)cc1 | nan | ||
CHEMBL3911661 | 151872 | 0 | None | -6760 | 2 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 404 | 6 | 1 | 5 | 4.4 | CCCc1ccc(-c2onc3c2COc2cc(CN4CC(C(=O)O)C4)ccc2-3)cc1 | nan | ||
46236402 | 15369 | 0 | None | -14 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 336 | 4 | 1 | 4 | 3.9 | C=CCN1C(=O)/C(=C/c2ccc(O)c(Cl)c2)S/C1=N\C(C)C | 10.1021/jm100181s | ||
CHEMBL1094831 | 15369 | 0 | None | -14 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 336 | 4 | 1 | 4 | 3.9 | C=CCN1C(=O)/C(=C/c2ccc(O)c(Cl)c2)S/C1=N\C(C)C | 10.1021/jm100181s | ||
118716153 | 121666 | 0 | None | -15 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 450 | 10 | 4 | 6 | 2.8 | NC(CO)(CCc1ccc(-c2coc(Cc3ccc(F)cc3)n2)cc1)COP(=O)(O)O | 10.1016/j.ejmech.2014.07.081 | ||
CHEMBL3341931 | 121666 | 0 | None | -15 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 450 | 10 | 4 | 6 | 2.8 | NC(CO)(CCc1ccc(-c2coc(Cc3ccc(F)cc3)n2)cc1)COP(=O)(O)O | 10.1016/j.ejmech.2014.07.081 | ||
46886019 | 15005 | 0 | None | -45 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 457 | 10 | 4 | 5 | 4.2 | Cc1ccc(Oc2ccc(-c3ccc(CCC(N)(CO)COP(=O)(O)O)cc3)cc2)cc1 | 10.1021/jm901776q | ||
CHEMBL1092284 | 15005 | 0 | None | -45 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 457 | 10 | 4 | 5 | 4.2 | Cc1ccc(Oc2ccc(-c3ccc(CCC(N)(CO)COP(=O)(O)O)cc3)cc2)cc1 | 10.1021/jm901776q | ||
76314472 | 112320 | 0 | None | -45 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 529 | 10 | 3 | 9 | 3.7 | CCc1cc(-c2noc(-c3sc(OC)c4c3CCC(C)(C)C4)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1021/jm401456d | ||
CHEMBL3121975 | 112320 | 0 | None | -45 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 529 | 10 | 3 | 9 | 3.7 | CCc1cc(-c2noc(-c3sc(OC)c4c3CCC(C)(C)C4)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1021/jm401456d | ||
57399546 | 77472 | 0 | None | -1380 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 476 | 7 | 3 | 6 | 4.3 | N[C@H](CC(=O)O)C(=O)Nc1ccc(-c2nc3ccc(C4(c5ccccc5)CC4)nc3s2)c(F)c1 | 10.1016/j.bmcl.2011.12.073 | ||
CHEMBL1950568 | 77472 | 0 | None | -1380 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 476 | 7 | 3 | 6 | 4.3 | N[C@H](CC(=O)O)C(=O)Nc1ccc(-c2nc3ccc(C4(c5ccccc5)CC4)nc3s2)c(F)c1 | 10.1016/j.bmcl.2011.12.073 | ||
44600643 | 64177 | 0 | None | -25 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 501 | 6 | 1 | 5 | 6.3 | O=C(O)C1CN(Cc2ccc(-c3nc4ccc(C5(c6ccccc6)CCCCC5)nc4s3)c(F)c2)C1 | 10.1021/ml100306h | ||
CHEMBL1651864 | 64177 | 0 | None | -25 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 501 | 6 | 1 | 5 | 6.3 | O=C(O)C1CN(Cc2ccc(-c3nc4ccc(C5(c6ccccc6)CCCCC5)nc4s3)c(F)c2)C1 | 10.1021/ml100306h | ||
11853579 | 111170 | 0 | None | -616 | 2 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 455 | 11 | 2 | 5 | 5.1 | Cc1cc(CCC(=O)c2sc(C)c3c2C[C@@H]2[C@H]3C2(C)C)cc(C)c1OCCCNCCO | 10.1021/jm4014373 | ||
CHEMBL3102983 | 111170 | 0 | None | -616 | 2 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 455 | 11 | 2 | 5 | 5.1 | Cc1cc(CCC(=O)c2sc(C)c3c2C[C@@H]2[C@H]3C2(C)C)cc(C)c1OCCCNCCO | 10.1021/jm4014373 | ||
118716147 | 121659 | 0 | None | -19 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 460 | 11 | 4 | 6 | 3.7 | CCCc1ccc(-c2nc(-c3ccc(CCC(N)(CO)COP(=O)(O)O)cc3)co2)cc1 | 10.1016/j.ejmech.2014.07.081 | ||
CHEMBL3341925 | 121659 | 0 | None | -19 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 460 | 11 | 4 | 6 | 3.7 | CCCc1ccc(-c2nc(-c3ccc(CCC(N)(CO)COP(=O)(O)O)cc3)co2)cc1 | 10.1016/j.ejmech.2014.07.081 | ||
59446831 | 152122 | 0 | None | -2 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 500 | 11 | 2 | 7 | 3.9 | O=C(O)CCCS(=O)(=O)c1ccc(NC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)cc1 | nan | ||
CHEMBL3913491 | 152122 | 0 | None | -2 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 500 | 11 | 2 | 7 | 3.9 | O=C(O)CCCS(=O)(=O)c1ccc(NC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)cc1 | nan | ||
46846913 | 146457 | 0 | None | -2818 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 424 | 9 | 1 | 7 | 4.1 | CCCc1c(-c2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3)no2)noc1CC(C)C | 10.1021/acs.jmedchem.6b00089 | ||
CHEMBL3797951 | 146457 | 0 | None | -2818 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 424 | 9 | 1 | 7 | 4.1 | CCCc1c(-c2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3)no2)noc1CC(C)C | 10.1021/acs.jmedchem.6b00089 | ||
67168742 | 151539 | 0 | None | -3235 | 2 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 520 | 5 | 2 | 7 | 5.0 | N#CC1(NC(=O)C(O)c2ccc3c(c2)CCc2c-3noc2-c2noc(-c3ccccc3)c2C(F)(F)F)CC1 | nan | ||
CHEMBL3909064 | 151539 | 0 | None | -3235 | 2 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 520 | 5 | 2 | 7 | 5.0 | N#CC1(NC(=O)C(O)c2ccc3c(c2)CCc2c-3noc2-c2noc(-c3ccccc3)c2C(F)(F)F)CC1 | nan | ||
11852636 | 112353 | 0 | None | -1380 | 2 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 399 | 7 | 1 | 4 | 5.3 | Cc1cc(CCC(=O)c2sc(C)c3c2CCC(C)(C)C3)cc(C)c1OCCN | 10.1021/jm401456d | ||
CHEMBL3122007 | 112353 | 0 | None | -1380 | 2 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 399 | 7 | 1 | 4 | 5.3 | Cc1cc(CCC(=O)c2sc(C)c3c2CCC(C)(C)C3)cc(C)c1OCCN | 10.1021/jm401456d | ||
46237049 | 15668 | 0 | None | 4 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 352 | 4 | 1 | 4 | 4.1 | CC(C)/N=C1\S/C(=C\c2ccc(CO)cc2)C(=O)N1c1ccccc1 | 10.1021/jm100181s | ||
CHEMBL1097529 | 15668 | 0 | None | 4 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 352 | 4 | 1 | 4 | 4.1 | CC(C)/N=C1\S/C(=C\c2ccc(CO)cc2)C(=O)N1c1ccccc1 | 10.1021/jm100181s | ||
76336362 | 112546 | 0 | None | -1071 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 494 | 10 | 3 | 8 | 3.5 | CCc1cc(-c2noc(-c3ccc(C4CCCC4)c(C)n3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1021/jm4014696 | ||
CHEMBL3126614 | 112546 | 0 | None | -1071 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 494 | 10 | 3 | 8 | 3.5 | CCc1cc(-c2noc(-c3ccc(C4CCCC4)c(C)n3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1021/jm4014696 | ||
76314624 | 112551 | 0 | None | -4365 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 494 | 10 | 3 | 8 | 3.5 | CCc1cc(-c2noc(-c3cc(C)cc(C4CCCC4)n3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1021/jm4014696 | ||
CHEMBL3126619 | 112551 | 0 | None | -4365 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 494 | 10 | 3 | 8 | 3.5 | CCc1cc(-c2noc(-c3cc(C)cc(C4CCCC4)n3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1021/jm4014696 | ||
76314623 | 112524 | 0 | None | -2187 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 469 | 11 | 4 | 9 | 2.3 | CCNc1cc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)cc(C)n1 | 10.1021/jm4014696 | ||
CHEMBL3126591 | 112524 | 0 | None | -2187 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 469 | 11 | 4 | 9 | 2.3 | CCNc1cc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)cc(C)n1 | 10.1021/jm4014696 | ||
118716150 | 121662 | 0 | None | -17 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 424 | 9 | 4 | 7 | 2.8 | NC(CO)(CCc1ccc(-c2coc(-c3cccs3)n2)cc1)COP(=O)(O)O | 10.1016/j.ejmech.2014.07.081 | ||
CHEMBL3341928 | 121662 | 0 | None | -17 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 424 | 9 | 4 | 7 | 2.8 | NC(CO)(CCc1ccc(-c2coc(-c3cccs3)n2)cc1)COP(=O)(O)O | 10.1016/j.ejmech.2014.07.081 | ||
72793791 | 111495 | 0 | None | -257 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 425 | 7 | 1 | 4 | 4.9 | CNC(=O)COc1c(C)cc(CCC(=O)c2sc(C)c3c2C[C@@H]2[C@H]3C2(C)C)cc1C | 10.1021/jm4014373 | ||
CHEMBL3105488 | 111495 | 0 | None | -257 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 425 | 7 | 1 | 4 | 4.9 | CNC(=O)COc1c(C)cc(CCC(=O)c2sc(C)c3c2C[C@@H]2[C@H]3C2(C)C)cc1C | 10.1021/jm4014373 | ||
127048141 | 146563 | 0 | None | -102 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 511 | 13 | 3 | 9 | 2.7 | CCCN(C)Cc1cc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)cc(C)n1 | 10.1016/j.ejmech.2016.03.048 | ||
CHEMBL3798697 | 146563 | 0 | None | -102 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 511 | 13 | 3 | 9 | 2.7 | CCCN(C)Cc1cc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)cc(C)n1 | 10.1016/j.ejmech.2016.03.048 | ||
11853836 | 111494 | 0 | None | -1445 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 411 | 7 | 1 | 4 | 4.6 | Cc1cc(CCC(=O)c2sc(C)c3c2C[C@@H]2[C@H]3C2(C)C)cc(C)c1OCC(N)=O | 10.1021/jm4014373 | ||
CHEMBL3105487 | 111494 | 0 | None | -1445 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 411 | 7 | 1 | 4 | 4.6 | Cc1cc(CCC(=O)c2sc(C)c3c2C[C@@H]2[C@H]3C2(C)C)cc(C)c1OCC(N)=O | 10.1021/jm4014373 | ||
53319458 | 64171 | 0 | None | -25 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 447 | 6 | 1 | 5 | 5.2 | C[C@@H](c1ccccc1)c1ccc2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3F)sc2n1 | 10.1021/ml100306h | ||
CHEMBL1651858 | 64171 | 0 | None | -25 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 447 | 6 | 1 | 5 | 5.2 | C[C@@H](c1ccccc1)c1ccc2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3F)sc2n1 | 10.1021/ml100306h | ||
11589375 | 111174 | 0 | None | -338 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 398 | 7 | 1 | 4 | 5.2 | Cc1cc(CCC(=O)c2sc(C)c3c2C[C@@H]2[C@H]3C2(C)C)cc(C)c1OCCO | 10.1021/jm4014373 | ||
CHEMBL3102987 | 111174 | 0 | None | -338 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 398 | 7 | 1 | 4 | 5.2 | Cc1cc(CCC(=O)c2sc(C)c3c2C[C@@H]2[C@H]3C2(C)C)cc(C)c1OCCO | 10.1021/jm4014373 | ||
46236404 | 15733 | 0 | None | -1 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 386 | 3 | 1 | 4 | 5.2 | Cc1ccc(N2C(=O)/C(=C/c3ccc(O)c(Cl)c3)S/C2=N\C(C)C)cc1 | 10.1021/jm100181s | ||
CHEMBL1098142 | 15733 | 0 | None | -1 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 386 | 3 | 1 | 4 | 5.2 | Cc1ccc(N2C(=O)/C(=C/c3ccc(O)c(Cl)c3)S/C2=N\C(C)C)cc1 | 10.1021/jm100181s | ||
46238365 | 15587 | 0 | None | -8 | 2 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 344 | 2 | 1 | 4 | 4.2 | C/N=C1\S/C(=C\c2ccc(O)c(Cl)c2)C(=O)N1c1ccccc1 | 10.1021/jm100181s | ||
CHEMBL1096787 | 15587 | 0 | None | -8 | 2 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 344 | 2 | 1 | 4 | 4.2 | C/N=C1\S/C(=C\c2ccc(O)c(Cl)c2)C(=O)N1c1ccccc1 | 10.1021/jm100181s | ||
58344592 | 161345 | 0 | None | -69183 | 4 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 445 | 7 | 1 | 7 | 3.7 | CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NCC(=O)N(C)C)no2)cc1C#N | nan | ||
CHEMBL3921214 | 161345 | 0 | None | -69183 | 4 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 445 | 7 | 1 | 7 | 3.7 | CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NCC(=O)N(C)C)no2)cc1C#N | nan | ||
CHEMBL3991184 | 161345 | 0 | None | -69183 | 4 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 445 | 7 | 1 | 7 | 3.7 | CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NCC(=O)N(C)C)no2)cc1C#N | nan | ||
44600476 | 64174 | 7 | None | -446 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 459 | 6 | 1 | 5 | 5.1 | O=C(O)C1CN(Cc2ccc(-c3nc4ccc(C5(c6ccccc6)CC5)nc4s3)c(F)c2)C1 | 10.1016/j.bmcl.2011.10.069 | ||
CHEMBL1651861 | 64174 | 7 | None | -446 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 459 | 6 | 1 | 5 | 5.1 | O=C(O)C1CN(Cc2ccc(-c3nc4ccc(C5(c6ccccc6)CC5)nc4s3)c(F)c2)C1 | 10.1016/j.bmcl.2011.10.069 | ||
44600476 | 64174 | 7 | None | -446 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 459 | 6 | 1 | 5 | 5.1 | O=C(O)C1CN(Cc2ccc(-c3nc4ccc(C5(c6ccccc6)CC5)nc4s3)c(F)c2)C1 | 10.1016/j.bmcl.2011.12.073 | ||
CHEMBL1651861 | 64174 | 7 | None | -446 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 459 | 6 | 1 | 5 | 5.1 | O=C(O)C1CN(Cc2ccc(-c3nc4ccc(C5(c6ccccc6)CC5)nc4s3)c(F)c2)C1 | 10.1016/j.bmcl.2011.12.073 | ||
44600476 | 64174 | 7 | None | -446 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 459 | 6 | 1 | 5 | 5.1 | O=C(O)C1CN(Cc2ccc(-c3nc4ccc(C5(c6ccccc6)CC5)nc4s3)c(F)c2)C1 | 10.1021/ml100306h | ||
CHEMBL1651861 | 64174 | 7 | None | -446 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 459 | 6 | 1 | 5 | 5.1 | O=C(O)C1CN(Cc2ccc(-c3nc4ccc(C5(c6ccccc6)CC5)nc4s3)c(F)c2)C1 | 10.1021/ml100306h | ||
52938426 | 10149 | 12 | None | -38904 | 5 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 360 | 4 | 1 | 6 | 4.0 | N#Cc1cc(ccc1OC(C)C)c1onc(n1)c1cccc2c1CC[C@@H]2N | nan | ||
9889 | 10149 | 12 | None | -38904 | 5 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 360 | 4 | 1 | 6 | 4.0 | N#Cc1cc(ccc1OC(C)C)c1onc(n1)c1cccc2c1CC[C@@H]2N | nan | ||
CHEMBL3899384 | 10149 | 12 | None | -38904 | 5 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 360 | 4 | 1 | 6 | 4.0 | N#Cc1cc(ccc1OC(C)C)c1onc(n1)c1cccc2c1CC[C@@H]2N | nan | ||
58344778 | 161316 | 0 | None | -52480 | 5 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 360 | 4 | 1 | 6 | 4.0 | CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4N)no2)cc1C#N | nan | ||
CHEMBL3902160 | 161316 | 0 | None | -52480 | 5 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 360 | 4 | 1 | 6 | 4.0 | CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4N)no2)cc1C#N | nan | ||
CHEMBL3990889 | 161316 | 0 | None | -52480 | 5 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 360 | 4 | 1 | 6 | 4.0 | CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4N)no2)cc1C#N | nan | ||
118716152 | 121665 | 0 | None | -34 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 462 | 11 | 4 | 7 | 2.7 | COc1ccc(Cc2nc(-c3ccc(CCC(N)(CO)COP(=O)(O)O)cc3)co2)cc1 | 10.1016/j.ejmech.2014.07.081 | ||
CHEMBL3341930 | 121665 | 0 | None | -34 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 462 | 11 | 4 | 7 | 2.7 | COc1ccc(Cc2nc(-c3ccc(CCC(N)(CO)COP(=O)(O)O)cc3)co2)cc1 | 10.1016/j.ejmech.2014.07.081 | ||
44591264 | 186758 | 0 | None | -7 | 4 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 420 | 13 | 4 | 5 | 3.3 | CCCCCCCCOc1ccc(NC(=O)[C@@](C)(N)COP(=O)(O)O)c(F)c1 | 10.1016/j.bmcl.2008.11.072 | ||
CHEMBL474688 | 186758 | 0 | None | -7 | 4 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 420 | 13 | 4 | 5 | 3.3 | CCCCCCCCOc1ccc(NC(=O)[C@@](C)(N)COP(=O)(O)O)c(F)c1 | 10.1016/j.bmcl.2008.11.072 | ||
11977818 | 77676 | 0 | None | -891 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 433 | 7 | 1 | 7 | 4.8 | O=C(O)C1CN(Cc2ccc(-c3noc(-c4ccc(Oc5ccccc5)cc4)n3)s2)C1 | 10.1016/j.bmcl.2011.12.019 | ||
CHEMBL1951154 | 77676 | 0 | None | -891 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 433 | 7 | 1 | 7 | 4.8 | O=C(O)C1CN(Cc2ccc(-c3noc(-c4ccc(Oc5ccccc5)cc4)n3)s2)C1 | 10.1016/j.bmcl.2011.12.019 | ||
57397196 | 76659 | 0 | None | -18 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 499 | 6 | 1 | 6 | 4.8 | CC(C)C1SCCN1C(=O)c1ccc2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3F)sc2c1 | 10.1016/j.bmcl.2011.10.069 | ||
CHEMBL1938935 | 76659 | 0 | None | -18 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 499 | 6 | 1 | 6 | 4.8 | CC(C)C1SCCN1C(=O)c1ccc2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3F)sc2c1 | 10.1016/j.bmcl.2011.10.069 | ||
11484624 | 65216 | 0 | None | -3 | 2 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 341 | 12 | 2 | 3 | 3.7 | O=C(O)CCNCCCc1ccc(OCCCc2ccccc2)cc1 | 10.1016/j.bmcl.2011.01.029 | ||
CHEMBL1683042 | 65216 | 0 | None | -3 | 2 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 341 | 12 | 2 | 3 | 3.7 | O=C(O)CCNCCCc1ccc(OCCCc2ccccc2)cc1 | 10.1016/j.bmcl.2011.01.029 | ||
127047779 | 146478 | 0 | None | -30 | 2 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 496 | 12 | 3 | 8 | 2.9 | CCc1cc(-c2noc(-c3ccc(C)c(CN(C)CC)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1016/j.ejmech.2016.03.048 | ||
CHEMBL3798098 | 146478 | 0 | None | -30 | 2 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 496 | 12 | 3 | 8 | 2.9 | CCc1cc(-c2noc(-c3ccc(C)c(CN(C)CC)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1016/j.ejmech.2016.03.048 | ||
44217168 | 146595 | 0 | None | -64 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 496 | 12 | 3 | 8 | 2.9 | CCc1cc(-c2noc(-c3ccc(CN(C)CC)c(C)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1016/j.ejmech.2016.03.048 | ||
CHEMBL3798876 | 146595 | 0 | None | -64 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 496 | 12 | 3 | 8 | 2.9 | CCc1cc(-c2noc(-c3ccc(CN(C)CC)c(C)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1016/j.ejmech.2016.03.048 | ||
127047084 | 146562 | 0 | None | -645 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 510 | 11 | 3 | 9 | 3.2 | CCc1cc(-c2noc(-c3ccc(C4CCCC4)c(OC)n3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1016/j.ejmech.2016.03.020 | ||
CHEMBL3798690 | 146562 | 0 | None | -645 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 510 | 11 | 3 | 9 | 3.2 | CCc1cc(-c2noc(-c3ccc(C4CCCC4)c(OC)n3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1016/j.ejmech.2016.03.020 | ||
58537193 | 146651 | 0 | None | -5370 | 2 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 416 | 6 | 1 | 7 | 3.9 | Cc1c(-c2ccccc2)noc1-c1nc(-c2ccc(CN3CC(C(=O)O)C3)cc2)no1 | 10.1021/acs.jmedchem.6b00089 | ||
CHEMBL3799276 | 146651 | 0 | None | -5370 | 2 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 416 | 6 | 1 | 7 | 3.9 | Cc1c(-c2ccccc2)noc1-c1nc(-c2ccc(CN3CC(C(=O)O)C3)cc2)no1 | 10.1021/acs.jmedchem.6b00089 | ||
46883880 | 14790 | 0 | None | -67 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 397 | 11 | 3 | 3 | 4.5 | CCCCCCCCc1ccc2c(c1)CC[C@H]([C@](C)(N)COP(=O)(O)O)C2 | 10.1016/j.bmcl.2010.02.006 | ||
CHEMBL1090758 | 14790 | 0 | None | -67 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 397 | 11 | 3 | 3 | 4.5 | CCCCCCCCc1ccc2c(c1)CC[C@H]([C@](C)(N)COP(=O)(O)O)C2 | 10.1016/j.bmcl.2010.02.006 | ||
118716156 | 121669 | 0 | None | -6 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 474 | 11 | 4 | 6 | 3.8 | CC(C)c1ccc(Cc2nc(-c3ccc(CCC(N)(CO)COP(=O)(O)O)cc3)co2)cc1 | 10.1016/j.ejmech.2014.07.081 | ||
CHEMBL3341934 | 121669 | 0 | None | -6 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 474 | 11 | 4 | 6 | 3.8 | CC(C)c1ccc(Cc2nc(-c3ccc(CCC(N)(CO)COP(=O)(O)O)cc3)co2)cc1 | 10.1016/j.ejmech.2014.07.081 | ||
127046567 | 146781 | 0 | None | -933 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 510 | 11 | 3 | 9 | 3.1 | CCc1cc(-c2noc(-c3cc(C)cc(OC4CCCC4)n3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1016/j.ejmech.2016.03.020 | ||
CHEMBL3800028 | 146781 | 0 | None | -933 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 510 | 11 | 3 | 9 | 3.1 | CCc1cc(-c2noc(-c3cc(C)cc(OC4CCCC4)n3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1016/j.ejmech.2016.03.020 | ||
11603726 | 83605 | 0 | None | -6760 | 3 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 400 | 7 | 1 | 5 | 5.2 | Cc1cc(CCC(=O)O)ccc1-c1noc(-c2ccc(OC(C)C)c(Cl)c2)n1 | 10.1016/j.bmcl.2006.04.064 | ||
CHEMBL206940 | 83605 | 0 | None | -6760 | 3 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 400 | 7 | 1 | 5 | 5.2 | Cc1cc(CCC(=O)O)ccc1-c1noc(-c2ccc(OC(C)C)c(Cl)c2)n1 | 10.1016/j.bmcl.2006.04.064 | ||
70686052 | 82053 | 0 | None | -234 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 494 | 6 | 2 | 4 | 5.5 | Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(C(F)(F)F)c2)c(=O)c2ccc(CCC(=O)O)cc21 | 10.1021/ml200252b | ||
CHEMBL2037128 | 82053 | 0 | None | -234 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 494 | 6 | 2 | 4 | 5.5 | Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(C(F)(F)F)c2)c(=O)c2ccc(CCC(=O)O)cc21 | 10.1021/ml200252b | ||
57402282 | 78436 | 0 | None | -25118 | 2 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 423 | 8 | 1 | 3 | 4.8 | CC1=C(CN2CC(C(=O)O)C2)CCc2cc(OC[C@@H](C)Cc3ccc(F)cc3)ccc21 | 10.1016/j.bmcl.2011.11.048 | ||
CHEMBL1935584 | 78436 | 0 | None | -25118 | 2 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 423 | 8 | 1 | 3 | 4.8 | CC1=C(CN2CC(C(=O)O)C2)CCc2cc(OC[C@@H](C)Cc3ccc(F)cc3)ccc21 | 10.1016/j.bmcl.2011.11.048 | ||
CHEMBL1963634 | 78436 | 0 | None | -25118 | 2 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 423 | 8 | 1 | 3 | 4.8 | CC1=C(CN2CC(C(=O)O)C2)CCc2cc(OC[C@@H](C)Cc3ccc(F)cc3)ccc21 | 10.1016/j.bmcl.2011.11.048 | ||
46236807 | 15832 | 0 | None | 1 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 338 | 3 | 1 | 4 | 4.3 | CC(C)/N=C1\S/C(=C\c2ccc(O)cc2)C(=O)N1c1ccccc1 | 10.1021/jm100181s | ||
CHEMBL1098811 | 15832 | 0 | None | 1 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 338 | 3 | 1 | 4 | 4.3 | CC(C)/N=C1\S/C(=C\c2ccc(O)cc2)C(=O)N1c1ccccc1 | 10.1021/jm100181s | ||
127046184 | 146658 | 0 | None | -478 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 484 | 11 | 3 | 9 | 2.6 | CCc1cc(-c2noc(-c3cc(C)nc(OC(C)C)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1016/j.ejmech.2016.03.020 | ||
CHEMBL3799305 | 146658 | 0 | None | -478 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 484 | 11 | 3 | 9 | 2.6 | CCc1cc(-c2noc(-c3cc(C)nc(OC(C)C)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1016/j.ejmech.2016.03.020 | ||
11697013 | 85038 | 0 | None | -1318 | 3 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 401 | 7 | 1 | 6 | 4.6 | Cc1cc(CCC(=O)O)ccc1-c1noc(-c2cnc(OC(C)C)c(Cl)c2)n1 | 10.1016/j.bmcl.2006.04.064 | ||
CHEMBL210695 | 85038 | 0 | None | -1318 | 3 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 401 | 7 | 1 | 6 | 4.6 | Cc1cc(CCC(=O)O)ccc1-c1noc(-c2cnc(OC(C)C)c(Cl)c2)n1 | 10.1016/j.bmcl.2006.04.064 | ||
58390929 | 90905 | 0 | None | -870 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 498 | 9 | 1 | 6 | 5.1 | CCCCN(C(=O)c1ccccc1Cl)c1nnc(-c2ccc(CN3CC(C(=O)O)C3)cc2C)s1 | 10.1016/j.bmcl.2012.09.110 | ||
CHEMBL2207792 | 90905 | 0 | None | -870 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 498 | 9 | 1 | 6 | 5.1 | CCCCN(C(=O)c1ccccc1Cl)c1nnc(-c2ccc(CN3CC(C(=O)O)C3)cc2C)s1 | 10.1016/j.bmcl.2012.09.110 | ||
11697013 | 85038 | 0 | None | -1318 | 3 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 401 | 7 | 1 | 6 | 4.6 | Cc1cc(CCC(=O)O)ccc1-c1noc(-c2cnc(OC(C)C)c(Cl)c2)n1 | 10.1016/j.bmcl.2006.04.084 | ||
CHEMBL210695 | 85038 | 0 | None | -1318 | 3 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 401 | 7 | 1 | 6 | 4.6 | Cc1cc(CCC(=O)O)ccc1-c1noc(-c2cnc(OC(C)C)c(Cl)c2)n1 | 10.1016/j.bmcl.2006.04.084 | ||
46236269 | 15781 | 0 | None | 1 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 386 | 2 | 1 | 4 | 5.3 | CC(C)(C)/N=C1\S/C(=C\c2ccc(O)c(Cl)c2)C(=O)N1c1ccccc1 | 10.1021/jm100181s | ||
CHEMBL1098448 | 15781 | 0 | None | 1 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 386 | 2 | 1 | 4 | 5.3 | CC(C)(C)/N=C1\S/C(=C\c2ccc(O)c(Cl)c2)C(=O)N1c1ccccc1 | 10.1021/jm100181s | ||
49871977 | 146828 | 0 | None | -239 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 512 | 13 | 3 | 9 | 3.4 | CCc1cc(-c2noc(-c3cc(OC)nc(C(CC)CC)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1016/j.ejmech.2016.03.020 | ||
CHEMBL3800336 | 146828 | 0 | None | -239 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 512 | 13 | 3 | 9 | 3.4 | CCc1cc(-c2noc(-c3cc(OC)nc(C(CC)CC)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1016/j.ejmech.2016.03.020 | ||
46195606 | 156090 | 0 | None | -40 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 450 | 10 | 3 | 7 | 3.4 | CCCc1ccc(-c2nc(-c3cccc4c3CCN4CC(N)(CO)CO)no2)cc1CCC | nan | ||
CHEMBL3944892 | 156090 | 0 | None | -40 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 450 | 10 | 3 | 7 | 3.4 | CCCc1ccc(-c2nc(-c3cccc4c3CCN4CC(N)(CO)CO)no2)cc1CCC | nan | ||
53326886 | 64775 | 0 | None | -32 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 468 | 6 | 1 | 4 | 5.5 | O=C(O)C1CN(Cc2ccc(-c3nc4cc(Cc5ccc(F)c(F)c5)ccc4s3)c(F)c2)C1 | 10.1021/ml100228m | ||
CHEMBL1672563 | 64775 | 0 | None | -32 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 468 | 6 | 1 | 4 | 5.5 | O=C(O)C1CN(Cc2ccc(-c3nc4cc(Cc5ccc(F)c(F)c5)ccc4s3)c(F)c2)C1 | 10.1021/ml100228m | ||
46884020 | 15212 | 0 | None | -30 | 4 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 397 | 11 | 3 | 3 | 4.5 | CCCCCCCCc1ccc2c(c1)CC[C@H]([C@@](C)(N)COP(=O)(O)O)C2 | 10.1016/j.bmcl.2010.02.006 | ||
CHEMBL1093686 | 15212 | 0 | None | -30 | 4 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 397 | 11 | 3 | 3 | 4.5 | CCCCCCCCc1ccc2c(c1)CC[C@H]([C@@](C)(N)COP(=O)(O)O)C2 | 10.1016/j.bmcl.2010.02.006 | ||
2924 | 8421 | 43 | None | -10 | 7 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N | 10.1021/acs.jmedchem.1c01979 | ||
44398069 | 8421 | 43 | None | -10 | 7 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N | 10.1021/acs.jmedchem.1c01979 | ||
9908268 | 8421 | 43 | None | -10 | 7 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N | 10.1021/acs.jmedchem.1c01979 | ||
CHEMBL114606 | 8421 | 43 | None | -10 | 7 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N | 10.1021/acs.jmedchem.1c01979 | ||
118716154 | 121667 | 0 | None | -54 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 466 | 10 | 4 | 6 | 3.3 | NC(CO)(CCc1ccc(-c2coc(Cc3ccc(Cl)cc3)n2)cc1)COP(=O)(O)O | 10.1016/j.ejmech.2014.07.081 | ||
CHEMBL3341932 | 121667 | 0 | None | -54 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 466 | 10 | 4 | 6 | 3.3 | NC(CO)(CCc1ccc(-c2coc(Cc3ccc(Cl)cc3)n2)cc1)COP(=O)(O)O | 10.1016/j.ejmech.2014.07.081 | ||
57402358 | 76652 | 0 | None | -19 | 2 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 461 | 7 | 1 | 5 | 5.6 | CCC(c1ccc2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3F)sc2c1)c1ccccn1 | 10.1016/j.bmcl.2011.10.069 | ||
CHEMBL1938927 | 76652 | 0 | None | -19 | 2 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 461 | 7 | 1 | 5 | 5.6 | CCC(c1ccc2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3F)sc2c1)c1ccccn1 | 10.1016/j.bmcl.2011.10.069 | ||
46236808 | 15379 | 0 | None | 2 | 2 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 356 | 3 | 1 | 4 | 4.4 | CC(C)/N=C1\S/C(=C\c2ccc(O)c(F)c2)C(=O)N1c1ccccc1 | 10.1021/jm100181s | ||
CHEMBL1094885 | 15379 | 0 | None | 2 | 2 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 356 | 3 | 1 | 4 | 4.4 | CC(C)/N=C1\S/C(=C\c2ccc(O)c(F)c2)C(=O)N1c1ccccc1 | 10.1021/jm100181s | ||
52938427 | 9758 | 55 | None | -1659 | 5 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 404 | 7 | 2 | 7 | 3.6 | OCCN[C@H]1CCc2c1cccc2c1noc(n1)c1ccc(c(c1)C#N)OC(C)C | nan | ||
5383 | 9758 | 55 | None | -1659 | 5 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 404 | 7 | 2 | 7 | 3.6 | OCCN[C@H]1CCc2c1cccc2c1noc(n1)c1ccc(c(c1)C#N)OC(C)C | nan | ||
8709 | 9758 | 55 | None | -1659 | 5 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 404 | 7 | 2 | 7 | 3.6 | OCCN[C@H]1CCc2c1cccc2c1noc(n1)c1ccc(c(c1)C#N)OC(C)C | nan | ||
CHEMBL3707247 | 9758 | 55 | None | -1659 | 5 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 404 | 7 | 2 | 7 | 3.6 | OCCN[C@H]1CCc2c1cccc2c1noc(n1)c1ccc(c(c1)C#N)OC(C)C | nan | ||
DB12612 | 9758 | 55 | None | -1659 | 5 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 404 | 7 | 2 | 7 | 3.6 | OCCN[C@H]1CCc2c1cccc2c1noc(n1)c1ccc(c(c1)C#N)OC(C)C | nan | ||
46224769 | 207621 | 0 | None | -501 | 4 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 331 | 2 | 1 | 3 | 4.3 | Cc1nn(C(=O)/C=C/c2cccc3[nH]ccc23)c2c1[C@H]1[C@@H](C2)C1(C)C | 10.1016/j.bmcl.2009.11.045 | ||
CHEMBL601062 | 207621 | 0 | None | -501 | 4 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 331 | 2 | 1 | 3 | 4.3 | Cc1nn(C(=O)/C=C/c2cccc3[nH]ccc23)c2c1[C@H]1[C@@H](C2)C1(C)C | 10.1016/j.bmcl.2009.11.045 | ||
76318195 | 112533 | 0 | None | -4786 | 2 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 440 | 10 | 3 | 8 | 2.1 | CCc1cc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)ccn1 | 10.1021/jm4014696 | ||
CHEMBL3126601 | 112533 | 0 | None | -4786 | 2 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 440 | 10 | 3 | 8 | 2.1 | CCc1cc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)ccn1 | 10.1021/jm4014696 | ||
53323420 | 64172 | 0 | None | -26 | 2 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 447 | 6 | 1 | 5 | 5.2 | C[C@H](c1ccccc1)c1ccc2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3F)sc2n1 | 10.1021/ml100306h | ||
CHEMBL1651859 | 64172 | 0 | None | -26 | 2 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 447 | 6 | 1 | 5 | 5.2 | C[C@H](c1ccccc1)c1ccc2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3F)sc2n1 | 10.1021/ml100306h | ||
44607576 | 54882 | 0 | None | -25 | 3 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 391 | 5 | 1 | 4 | 5.5 | COc1cccc(OC)c1NC(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1 | nan | ||
CHEMBL1550998 | 54882 | 0 | None | -25 | 3 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 391 | 5 | 1 | 4 | 5.5 | COc1cccc(OC)c1NC(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1 | nan | ||
5038554 | 52961 | 5 | None | 1 | 2 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 318 | 4 | 1 | 3 | 4.3 | Cc1ccc(NC(=O)C(C)c2ccc([N+](=O)[O-])cc2)cc1Cl | nan | ||
CHEMBL1534431 | 52961 | 5 | None | 1 | 2 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 318 | 4 | 1 | 3 | 4.3 | Cc1ccc(NC(=O)C(C)c2ccc([N+](=O)[O-])cc2)cc1Cl | nan | ||
16105531 | 176145 | 0 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 582 | 16 | 3 | 7 | 5.6 | CCCCCCCCOc1ccc(/C(=N/NS(=O)(=O)c2cc(C(=O)O)cc(C(=O)O)c2)c2ccccc2)cc1OC | 10.1021/jm060834d | ||
CHEMBL442040 | 176145 | 0 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 582 | 16 | 3 | 7 | 5.6 | CCCCCCCCOc1ccc(/C(=N/NS(=O)(=O)c2cc(C(=O)O)cc(C(=O)O)c2)c2ccccc2)cc1OC | 10.1021/jm060834d | ||
2727678 | 91292 | 36 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 287 | 11 | 2 | 3 | 4.0 | CCCCCCCCCCCC1N[C@H](C(=O)O)CS1 | 10.1021/jm060834d | ||
CHEMBL222029 | 91292 | 36 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 287 | 11 | 2 | 3 | 4.0 | CCCCCCCCCCCC1N[C@H](C(=O)O)CS1 | 10.1021/jm060834d | ||
3893874 | 40731 | 4 | None | 1 | 2 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 397 | 5 | 1 | 4 | 5.4 | Cc1cc(C(=O)OC(C(=O)Nc2ccc(C)c(Cl)c2)c2ccccc2)c(C)o1 | nan | ||
CHEMBL1424117 | 40731 | 4 | None | 1 | 2 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 397 | 5 | 1 | 4 | 5.4 | Cc1cc(C(=O)OC(C(=O)Nc2ccc(C)c(Cl)c2)c2ccccc2)c(C)o1 | nan | ||
3247435 | 52917 | 3 | None | 2 | 2 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 347 | 7 | 1 | 2 | 5.7 | CCCC[C@@H]1C[C@H]1[C@@H](NC(=O)c1cccs1)c1ccc(Cl)cc1 | nan | ||
CHEMBL1533923 | 52917 | 3 | None | 2 | 2 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 347 | 7 | 1 | 2 | 5.7 | CCCC[C@@H]1C[C@H]1[C@@H](NC(=O)c1cccs1)c1ccc(Cl)cc1 | nan | ||
44437393 | 21478 | 0 | None | -29 | 4 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 608 | 17 | 2 | 5 | 9.5 | CCCCCCCCCCC#CC(O)c1ccccc1-c1ccc(Sc2ccc(OCCCC)cc2)c(S(=O)(=O)O)c1 | 10.1016/j.bmc.2007.02.048 | ||
CHEMBL1206181 | 21478 | 0 | None | -29 | 4 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 608 | 17 | 2 | 5 | 9.5 | CCCCCCCCCCC#CC(O)c1ccccc1-c1ccc(Sc2ccc(OCCCC)cc2)c(S(=O)(=O)O)c1 | 10.1016/j.bmc.2007.02.048 | ||
CHEMBL239659 | 21478 | 0 | None | -29 | 4 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 608 | 17 | 2 | 5 | 9.5 | CCCCCCCCCCC#CC(O)c1ccccc1-c1ccc(Sc2ccc(OCCCC)cc2)c(S(=O)(=O)O)c1 | 10.1016/j.bmc.2007.02.048 | ||
10086559 | 126047 | 0 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 307 | 8 | 2 | 3 | 4.0 | CCCCCCCc1ccc(C2N[C@H](C(=O)O)CS2)cc1 | 10.1021/jm060834d | ||
CHEMBL343684 | 126047 | 0 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 307 | 8 | 2 | 3 | 4.0 | CCCCCCCc1ccc(C2N[C@H](C(=O)O)CS2)cc1 | 10.1021/jm060834d | ||
16105532 | 90844 | 0 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 582 | 16 | 3 | 7 | 5.6 | CCCCCCCCOc1ccc(/C(=N\NS(=O)(=O)c2cc(C(=O)O)cc(C(=O)O)c2)c2ccccc2)cc1OC | 10.1021/jm060834d | ||
CHEMBL220756 | 90844 | 0 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 582 | 16 | 3 | 7 | 5.6 | CCCCCCCCOc1ccc(/C(=N\NS(=O)(=O)c2cc(C(=O)O)cc(C(=O)O)c2)c2ccccc2)cc1OC | 10.1021/jm060834d | ||
1810026 | 26801 | 20 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 365 | 4 | 1 | 1 | 5.2 | O=C(Nc1ccc(Br)cc1)C(c1ccccc1)c1ccccc1 | nan | ||
CHEMBL1303503 | 26801 | 20 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 365 | 4 | 1 | 1 | 5.2 | O=C(Nc1ccc(Br)cc1)C(c1ccccc1)c1ccccc1 | nan | ||
2727676 | 89949 | 4 | None | - | 1 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 273 | 10 | 2 | 3 | 3.6 | CCCCCCCCCCC1N[C@H](C(=O)O)CS1 | 10.1021/jm060834d | ||
CHEMBL218352 | 89949 | 4 | None | - | 1 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 273 | 10 | 2 | 3 | 3.6 | CCCCCCCCCCC1N[C@H](C(=O)O)CS1 | 10.1021/jm060834d | ||
44607582 | 42041 | 0 | None | -52 | 3 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 437 | 4 | 1 | 4 | 5.5 | Cc1ccc(S(C)(=O)=O)c(C)c1NC(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1 | nan | ||
CHEMBL1436066 | 42041 | 0 | None | -52 | 3 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 437 | 4 | 1 | 4 | 5.5 | Cc1ccc(S(C)(=O)=O)c(C)c1NC(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1 | nan | ||
2328694 | 60502 | 3 | None | -11 | 5 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 408 | 6 | 2 | 3 | 5.2 | O=C(Nc1ccccc1)Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 | nan | ||
CHEMBL1603615 | 60502 | 3 | None | -11 | 5 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 408 | 6 | 2 | 3 | 5.2 | O=C(Nc1ccccc1)Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 | nan | ||
4492589 | 37681 | 6 | None | -251 | 4 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 359 | 3 | 1 | 2 | 6.1 | Cc1cccc(C)c1NC(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1 | nan | ||
CHEMBL1397874 | 37681 | 6 | None | -251 | 4 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 359 | 3 | 1 | 2 | 6.1 | Cc1cccc(C)c1NC(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1 | nan | ||
2971621 | 50499 | 9 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 390 | 8 | 1 | 5 | 5.3 | COc1ccc(C(CC(=O)c2ccc(C)cc2)Nc2ccc([N+](=O)[O-])cc2)cc1 | nan | ||
CHEMBL1510469 | 50499 | 9 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 390 | 8 | 1 | 5 | 5.3 | COc1ccc(C(CC(=O)c2ccc(C)cc2)Nc2ccc([N+](=O)[O-])cc2)cc1 | nan | ||
3827421 | 40221 | 7 | None | -1 | 2 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 329 | 4 | 1 | 1 | 5.8 | O=C(Nc1ccc2ccccc2c1)C(c1ccccc1)C1CCCC1 | nan | ||
CHEMBL1419954 | 40221 | 7 | None | -1 | 2 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 329 | 4 | 1 | 1 | 5.8 | O=C(Nc1ccc2ccccc2c1)C(c1ccccc1)C1CCCC1 | nan | ||
11452022 | 10368 | 39 | None | -19 | 6 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CC[C@@](COP(=O)(O)O)(CO)N | 10.1016/j.bmcl.2011.10.088 | ||
6996 | 10368 | 39 | None | -19 | 6 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CC[C@@](COP(=O)(O)O)(CO)N | 10.1016/j.bmcl.2011.10.088 | ||
CHEMBL366208 | 10368 | 39 | None | -19 | 6 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CC[C@@](COP(=O)(O)O)(CO)N | 10.1016/j.bmcl.2011.10.088 | ||
3730347 | 49715 | 7 | None | 2 | 2 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 293 | 4 | 1 | 1 | 4.9 | Cc1ccc(NC(=O)C(c2ccccc2)C2CCCC2)cc1 | nan | ||
CHEMBL1503503 | 49715 | 7 | None | 2 | 2 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 293 | 4 | 1 | 1 | 4.9 | Cc1ccc(NC(=O)C(c2ccccc2)C2CCCC2)cc1 | nan | ||
1363299 | 39717 | 10 | None | -100 | 5 | Human | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 359 | 3 | 1 | 2 | 6.1 | Cc1cccc(C)c1NC(=O)c1ccc(-c2ccc(Cl)cc2Cl)o1 | nan | ||
CHEMBL1415555 | 39717 | 10 | None | -100 | 5 | Human | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 359 | 3 | 1 | 2 | 6.1 | Cc1cccc(C)c1NC(=O)c1ccc(-c2ccc(Cl)cc2Cl)o1 | nan | ||
16105530 | 89966 | 0 | None | 2 | 2 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 694 | 24 | 3 | 7 | 8.7 | CCCCCCCCCCCCCCCCOc1ccc(/C(=N/NS(=O)(=O)c2cc(C(=O)O)cc(C(=O)O)c2)c2ccccc2)cc1OC | 10.1021/jm060834d | ||
CHEMBL218445 | 89966 | 0 | None | 2 | 2 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 694 | 24 | 3 | 7 | 8.7 | CCCCCCCCCCCCCCCCOc1ccc(/C(=N/NS(=O)(=O)c2cc(C(=O)O)cc(C(=O)O)c2)c2ccccc2)cc1OC | 10.1021/jm060834d | ||
6890484 | 79664 | 7 | None | -1 | 2 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 375 | 6 | 1 | 5 | 4.1 | O=C(N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H]1C[C@@H]1c1ccccc1 | nan | ||
CHEMBL2003667 | 79664 | 7 | None | -1 | 2 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 375 | 6 | 1 | 5 | 4.1 | O=C(N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H]1C[C@@H]1c1ccccc1 | nan | ||
2101118 | 46989 | 7 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 386 | 4 | 2 | 1 | 6.2 | FC(F)(F)c1cccc(NC(S)=NC(c2ccccc2)c2ccccc2)c1 | nan | ||
CHEMBL1480424 | 46989 | 7 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 386 | 4 | 2 | 1 | 6.2 | FC(F)(F)c1cccc(NC(S)=NC(c2ccccc2)c2ccccc2)c1 | nan | ||
6056442 | 85881 | 5 | None | 1 | 2 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 701 | 23 | 3 | 7 | 8.1 | CCCCCCCCCCCCCCCCOc1ccc(/C(=N/NS(=O)(=O)c2cc(C(=O)O)cc(C(=O)O)c2)N2CCCCC2)cc1OC | 10.1021/jm060834d | ||
CHEMBL2113260 | 85881 | 5 | None | 1 | 2 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 701 | 23 | 3 | 7 | 8.1 | CCCCCCCCCCCCCCCCOc1ccc(/C(=N/NS(=O)(=O)c2cc(C(=O)O)cc(C(=O)O)c2)N2CCCCC2)cc1OC | 10.1021/jm060834d | ||
16105541 | 89967 | 0 | None | 1 | 2 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 694 | 24 | 3 | 7 | 8.7 | CCCCCCCCCCCCCCCCOc1ccc(/C(=N\NS(=O)(=O)c2cc(C(=O)O)cc(C(=O)O)c2)c2ccccc2)cc1OC | 10.1021/jm060834d | ||
CHEMBL218446 | 89967 | 0 | None | 1 | 2 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 694 | 24 | 3 | 7 | 8.7 | CCCCCCCCCCCCCCCCOc1ccc(/C(=N\NS(=O)(=O)c2cc(C(=O)O)cc(C(=O)O)c2)c2ccccc2)cc1OC | 10.1021/jm060834d | ||
44419095 | 103441 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 743 | 27 | 4 | 7 | 10.2 | CCCCCCCCCCCCCCCCCC(=O)Nc1ccc(C(=O)CC(=O)Cc2cc(C(=O)O)ccc2Oc2cc(C(=O)O)cc(C(=O)O)c2)cc1 | 10.1021/jm060834d | ||
CHEMBL263827 | 103441 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 743 | 27 | 4 | 7 | 10.2 | CCCCCCCCCCCCCCCCCC(=O)Nc1ccc(C(=O)CC(=O)Cc2cc(C(=O)O)ccc2Oc2cc(C(=O)O)cc(C(=O)O)c2)cc1 | 10.1021/jm060834d | ||
564008 | 52021 | 13 | None | -1 | 2 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 333 | 4 | 0 | 5 | 4.5 | O=[N+]([O-])c1ccc(C2=NN(c3ccccc3)C(c3ccco3)C2)cc1 | nan | ||
CHEMBL1526126 | 52021 | 13 | None | -1 | 2 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 333 | 4 | 0 | 5 | 4.5 | O=[N+]([O-])c1ccc(C2=NN(c3ccccc3)C(c3ccco3)C2)cc1 | nan | ||
2353214 | 35841 | 6 | None | -3 | 2 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 387 | 6 | 1 | 2 | 5.7 | O=C(Nc1ccc(OC(F)F)c(Cl)c1)C(c1ccccc1)c1ccccc1 | nan | ||
CHEMBL1380914 | 35841 | 6 | None | -3 | 2 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 387 | 6 | 1 | 2 | 5.7 | O=C(Nc1ccc(OC(F)F)c(Cl)c1)C(c1ccccc1)c1ccccc1 | nan | ||
2727242 | 46739 | 5 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 428 | 4 | 1 | 3 | 6.1 | O=C(Nc1ccc(F)cc1F)c1c(C(F)(F)F)ccnc1Oc1ccc(Cl)cc1 | nan | ||
CHEMBL1478342 | 46739 | 5 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 428 | 4 | 1 | 3 | 6.1 | O=C(Nc1ccc(F)cc1F)c1c(C(F)(F)F)ccnc1Oc1ccc(Cl)cc1 | nan | ||
44419094 | 104031 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 715 | 27 | 4 | 7 | 10.2 | CCCCCCCCCCCCCCCCCNc1ccc(C(=O)CC(=O)Cc2cc(C(=O)O)ccc2Oc2cc(C(=O)O)cc(C(=O)O)c2)cc1 | 10.1021/jm060834d | ||
CHEMBL268805 | 104031 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 715 | 27 | 4 | 7 | 10.2 | CCCCCCCCCCCCCCCCCNc1ccc(C(=O)CC(=O)Cc2cc(C(=O)O)ccc2Oc2cc(C(=O)O)cc(C(=O)O)c2)cc1 | 10.1021/jm060834d | ||
6217704 | 39357 | 3 | None | -14 | 6 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 490 | 7 | 0 | 8 | 5.2 | CCOC(=O)/C(=C\c1ccc(OC(F)F)cc1)C1=Nn2c(nnc2-c2ccc(Cl)cc2)SC1 | nan | ||
CHEMBL1412583 | 39357 | 3 | None | -14 | 6 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 490 | 7 | 0 | 8 | 5.2 | CCOC(=O)/C(=C\c1ccc(OC(F)F)cc1)C1=Nn2c(nnc2-c2ccc(Cl)cc2)SC1 | nan | ||
44437418 | 21601 | 0 | None | -39 | 4 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 612 | 17 | 3 | 7 | 6.9 | CCCCOc1ccc(Sc2ccc(-c3ccccc3C(O)C#CCOCCCCCCCO)cc2S(=O)(=O)O)cc1 | 10.1016/j.bmc.2007.02.048 | ||
CHEMBL1207343 | 21601 | 0 | None | -39 | 4 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 612 | 17 | 3 | 7 | 6.9 | CCCCOc1ccc(Sc2ccc(-c3ccccc3C(O)C#CCOCCCCCCCO)cc2S(=O)(=O)O)cc1 | 10.1016/j.bmc.2007.02.048 | ||
CHEMBL397081 | 21601 | 0 | None | -39 | 4 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 612 | 17 | 3 | 7 | 6.9 | CCCCOc1ccc(Sc2ccc(-c3ccccc3C(O)C#CCOCCCCCCCO)cc2S(=O)(=O)O)cc1 | 10.1016/j.bmc.2007.02.048 | ||
2233014 | 45739 | 9 | None | -3 | 5 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 429 | 7 | 1 | 6 | 4.9 | COc1ccc(CC(=O)Nc2cccc(-c3nnc(-c4cccc(C)c4)o3)c2)cc1OC | nan | ||
CHEMBL1467999 | 45739 | 9 | None | -3 | 5 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 429 | 7 | 1 | 6 | 4.9 | COc1ccc(CC(=O)Nc2cccc(-c3nnc(-c4cccc(C)c4)o3)c2)cc1OC | nan | ||
2810094 | 36356 | 3 | None | -1 | 3 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 365 | 4 | 1 | 3 | 4.9 | Cc1cccc(Cn2nc(C(C)(C)C)cc2C(=O)Nc2ccc(F)cc2)c1 | nan | ||
CHEMBL1385499 | 36356 | 3 | None | -1 | 3 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 365 | 4 | 1 | 3 | 4.9 | Cc1cccc(Cn2nc(C(C)(C)C)cc2C(=O)Nc2ccc(F)cc2)c1 | nan | ||
4841482 | 52854 | 5 | None | 2 | 2 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 397 | 5 | 1 | 3 | 5.3 | Cc1ccc(NC(=O)C(OC(=O)c2ccc(F)cc2)c2ccccc2)cc1Cl | nan | ||
CHEMBL1533427 | 52854 | 5 | None | 2 | 2 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 397 | 5 | 1 | 3 | 5.3 | Cc1ccc(NC(=O)C(OC(=O)c2ccc(F)cc2)c2ccccc2)cc1Cl | nan | ||
2794045 | 38343 | 9 | None | 1 | 2 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 279 | 4 | 1 | 1 | 4.6 | O=C(Nc1ccccc1)C(c1ccccc1)C1CCCC1 | nan | ||
CHEMBL1404080 | 38343 | 9 | None | 1 | 2 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 279 | 4 | 1 | 1 | 4.6 | O=C(Nc1ccccc1)C(c1ccccc1)C1CCCC1 | nan | ||
969623 | 208183 | 10 | None | 1 | 3 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 324 | 4 | 1 | 3 | 4.4 | Cc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)cc1 | nan | ||
CHEMBL604664 | 208183 | 10 | None | 1 | 3 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 324 | 4 | 1 | 3 | 4.4 | Cc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)cc1 | nan | ||
4168101 | 27639 | 4 | None | 1 | 2 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 405 | 5 | 1 | 3 | 5.5 | O=C(OC(C(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1)C1CCCCC1 | nan | ||
CHEMBL1310437 | 27639 | 4 | None | 1 | 2 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 405 | 5 | 1 | 3 | 5.5 | O=C(OC(C(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1)C1CCCCC1 | nan | ||
71450073 | 89364 | 0 | None | -234 | 4 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 585 | 10 | 2 | 5 | 5.5 | Cc1cc(S(=O)(=O)Nc2cccc(-c3cc(C)c(C(=O)N(C)[C@@H](CCN(C)C)C(=O)O)c(C)c3)c2)c(C)cc1Cl | 10.1021/jm3009508 | ||
CHEMBL2178814 | 89364 | 0 | None | -234 | 4 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 585 | 10 | 2 | 5 | 5.5 | Cc1cc(S(=O)(=O)Nc2cccc(-c3cc(C)c(C(=O)N(C)[C@@H](CCN(C)C)C(=O)O)c(C)c3)c2)c(C)cc1Cl | 10.1021/jm3009508 | ||
4460714 | 148738 | 10 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 442 | 18 | 2 | 4 | 6.5 | CCCCCCCCCCCCCCCCOc1ccc(S(=O)(=O)O)cc1C(=O)O | 10.1021/jm060834d | ||
CHEMBL387252 | 148738 | 10 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 442 | 18 | 2 | 4 | 6.5 | CCCCCCCCCCCCCCCCOc1ccc(S(=O)(=O)O)cc1C(=O)O | 10.1021/jm060834d | ||
3513763 | 29905 | 5 | None | -1 | 2 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 413 | 5 | 1 | 3 | 5.8 | Cc1ccc(NC(=O)C(OC(=O)c2ccccc2Cl)c2ccccc2)cc1Cl | nan | ||
CHEMBL1330917 | 29905 | 5 | None | -1 | 2 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 413 | 5 | 1 | 3 | 5.8 | Cc1ccc(NC(=O)C(OC(=O)c2ccccc2Cl)c2ccccc2)cc1Cl | nan | ||
9883039 | 38398 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 307 | 8 | 2 | 3 | 4.0 | CCCCCCCc1cccc(C2N[C@H](C(=O)O)CS2)c1 | 10.1021/jm060834d | ||
CHEMBL140460 | 38398 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 307 | 8 | 2 | 3 | 4.0 | CCCCCCCc1cccc(C2N[C@H](C(=O)O)CS2)c1 | 10.1021/jm060834d | ||
16105533 | 89968 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 664 | 23 | 3 | 6 | 8.7 | CCCCCCCCCCCCCCCCOc1ccc(/C(=N/NS(=O)(=O)c2cc(C(=O)O)cc(C(=O)O)c2)c2ccccc2)cc1 | 10.1021/jm060834d | ||
CHEMBL218447 | 89968 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 664 | 23 | 3 | 6 | 8.7 | CCCCCCCCCCCCCCCCOc1ccc(/C(=N/NS(=O)(=O)c2cc(C(=O)O)cc(C(=O)O)c2)c2ccccc2)cc1 | 10.1021/jm060834d | ||
44607575 | 59321 | 0 | None | -60 | 5 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 375 | 4 | 1 | 3 | 5.8 | COc1cccc(C)c1NC(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1 | nan | ||
CHEMBL1592119 | 59321 | 0 | None | -60 | 5 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 375 | 4 | 1 | 3 | 5.8 | COc1cccc(C)c1NC(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1 | nan | ||
17253208 | 8081 | 51 | None | 1819 | 2 | Human | 8.5 | pA2 | = | 8.5 | Functional | Guide to Pharmacology | 316 | 4 | 0 | 3 | 4.7 | O=C(N(C1CCCCC1)C1CCCCC1)c1noc(c1)C1CC1 | 26494861 | ||
9494 | 8081 | 51 | None | 1819 | 2 | Human | 8.5 | pA2 | = | 8.5 | Functional | Guide to Pharmacology | 316 | 4 | 0 | 3 | 4.7 | O=C(N(C1CCCCC1)C1CCCCC1)c1noc(c1)C1CC1 | 26494861 | ||
CHEMBL1970071 | 8081 | 51 | None | 1819 | 2 | Human | 8.5 | pA2 | = | 8.5 | Functional | Guide to Pharmacology | 316 | 4 | 0 | 3 | 4.7 | O=C(N(C1CCCCC1)C1CCCCC1)c1noc(c1)C1CC1 | 26494861 | ||
49869062 | 10429 | 0 | None | 28 | 2 | Human | 9.3 | pA2 | = | 9.3 | Functional | Guide to Pharmacology | 513 | 10 | 4 | 5 | 5.8 | CCC[C@@](COP(=O)(O)O)(CCc1ccc(cc1Cl)Sc1cc(ccc1O)C(F)(F)F)N | 26494861 | ||
9493 | 10429 | 0 | None | 28 | 2 | Human | 9.3 | pA2 | = | 9.3 | Functional | Guide to Pharmacology | 513 | 10 | 4 | 5 | 5.8 | CCC[C@@](COP(=O)(O)O)(CCc1ccc(cc1Cl)Sc1cc(ccc1O)C(F)(F)F)N | 26494861 | ||
44599207 | 10381 | 43 | None | -724 | 5 | Human | 8.5 | pEC50 | = | 8.5 | Functional | Drug Central | 516 | 9 | 1 | 4 | 6.8 | CCc1cc(ccc1CN1CC(C1)C(=O)O)/C(=N/OCc1ccc(c(c1)C(F)(F)F)C1CCCCC1)/C | None | ||
5326 | 10381 | 43 | None | -724 | 5 | Human | 8.5 | pEC50 | = | 8.5 | Functional | Drug Central | 516 | 9 | 1 | 4 | 6.8 | CCc1cc(ccc1CN1CC(C1)C(=O)O)/C(=N/OCc1ccc(c(c1)C(F)(F)F)C1CCCCC1)/C | None | ||
9289 | 10381 | 43 | None | -724 | 5 | Human | 8.5 | pEC50 | = | 8.5 | Functional | Drug Central | 516 | 9 | 1 | 4 | 6.8 | CCc1cc(ccc1CN1CC(C1)C(=O)O)/C(=N/OCc1ccc(c(c1)C(F)(F)F)C1CCCCC1)/C | None | ||
CHEMBL2336071 | 10381 | 43 | None | -724 | 5 | Human | 8.5 | pEC50 | = | 8.5 | Functional | Drug Central | 516 | 9 | 1 | 4 | 6.8 | CCc1cc(ccc1CN1CC(C1)C(=O)O)/C(=N/OCc1ccc(c(c1)C(F)(F)F)C1CCCCC1)/C | None | ||
DB12371 | 10381 | 43 | None | -724 | 5 | Human | 8.5 | pEC50 | = | 8.5 | Functional | Drug Central | 516 | 9 | 1 | 4 | 6.8 | CCc1cc(ccc1CN1CC(C1)C(=O)O)/C(=N/OCc1ccc(c(c1)C(F)(F)F)C1CCCCC1)/C | None | ||
52938427 | 9758 | 55 | None | -1659 | 5 | Human | 8.3 | pEC50 | = | 8.3 | Functional | Drug Central | 404 | 7 | 2 | 7 | 3.6 | OCCN[C@H]1CCc2c1cccc2c1noc(n1)c1ccc(c(c1)C#N)OC(C)C | None | ||
5383 | 9758 | 55 | None | -1659 | 5 | Human | 8.3 | pEC50 | = | 8.3 | Functional | Drug Central | 404 | 7 | 2 | 7 | 3.6 | OCCN[C@H]1CCc2c1cccc2c1noc(n1)c1ccc(c(c1)C#N)OC(C)C | None | ||
8709 | 9758 | 55 | None | -1659 | 5 | Human | 8.3 | pEC50 | = | 8.3 | Functional | Drug Central | 404 | 7 | 2 | 7 | 3.6 | OCCN[C@H]1CCc2c1cccc2c1noc(n1)c1ccc(c(c1)C#N)OC(C)C | None | ||
CHEMBL3707247 | 9758 | 55 | None | -1659 | 5 | Human | 8.3 | pEC50 | = | 8.3 | Functional | Drug Central | 404 | 7 | 2 | 7 | 3.6 | OCCN[C@H]1CCc2c1cccc2c1noc(n1)c1ccc(c(c1)C#N)OC(C)C | None | ||
DB12612 | 9758 | 55 | None | -1659 | 5 | Human | 8.3 | pEC50 | = | 8.3 | Functional | Drug Central | 404 | 7 | 2 | 7 | 3.6 | OCCN[C@H]1CCc2c1cccc2c1noc(n1)c1ccc(c(c1)C#N)OC(C)C | None | ||
11363176 | 9923 | 47 | None | -12 | 4 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 460 | 8 | 2 | 6 | 4.3 | CCCN=C1S/C(=C\c2ccc(c(c2)Cl)OC[C@@H](CO)O)/C(=O)N1c1ccccc1C | None | ||
5446 | 9923 | 47 | None | -12 | 4 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 460 | 8 | 2 | 6 | 4.3 | CCCN=C1S/C(=C\c2ccc(c(c2)Cl)OC[C@@H](CO)O)/C(=O)N1c1ccccc1C | None | ||
9320 | 9923 | 47 | None | -12 | 4 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 460 | 8 | 2 | 6 | 4.3 | CCCN=C1S/C(=C\c2ccc(c(c2)Cl)OC[C@@H](CO)O)/C(=O)N1c1ccccc1C | None | ||
CHEMBL1096146 | 9923 | 47 | None | -12 | 4 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 460 | 8 | 2 | 6 | 4.3 | CCCN=C1S/C(=C\c2ccc(c(c2)Cl)OC[C@@H](CO)O)/C(=O)N1c1ccccc1C | None | ||
107970 | 8420 | 83 | None | -23 | 4 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 307 | 12 | 3 | 3 | 3.2 | CCCCCCCCc1ccc(cc1)CCC(CO)(CO)N | None | ||
2407 | 8420 | 83 | None | -23 | 4 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 307 | 12 | 3 | 3 | 3.2 | CCCCCCCCc1ccc(cc1)CCC(CO)(CO)N | None | ||
4167 | 8420 | 83 | None | -23 | 4 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 307 | 12 | 3 | 3 | 3.2 | CCCCCCCCc1ccc(cc1)CCC(CO)(CO)N | None | ||
CHEMBL314854 | 8420 | 83 | None | -23 | 4 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 307 | 12 | 3 | 3 | 3.2 | CCCCCCCCc1ccc(cc1)CCC(CO)(CO)N | None | ||
DB08868 | 8420 | 83 | None | -23 | 4 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 307 | 12 | 3 | 3 | 3.2 | CCCCCCCCc1ccc(cc1)CCC(CO)(CO)N | None | ||
49848557 | 7884 | 0 | None | -3162 | 5 | Human | 5.1 | pEC50 | = | 5.1 | Functional | Guide to Pharmacology | 461 | 7 | 1 | 8 | 4.0 | OC(=O)CCN1CCc2c(C1)c(C)n(n2)c1nnc(s1)c1ccc(c(c1)Cl)OC(C)C | 26751273 | ||
9492 | 7884 | 0 | None | -3162 | 5 | Human | 5.1 | pEC50 | = | 5.1 | Functional | Guide to Pharmacology | 461 | 7 | 1 | 8 | 4.0 | OC(=O)CCN1CCc2c(C1)c(C)n(n2)c1nnc(s1)c1ccc(c(c1)Cl)OC(C)C | 26751273 | ||
CHEMBL3769933 | 7884 | 0 | None | -3162 | 5 | Human | 5.1 | pEC50 | = | 5.1 | Functional | Guide to Pharmacology | 461 | 7 | 1 | 8 | 4.0 | OC(=O)CCN1CCc2c(C1)c(C)n(n2)c1nnc(s1)c1ccc(c(c1)Cl)OC(C)C | 26751273 | ||
44599207 | 10381 | 43 | None | -724 | 5 | Human | 5.3 | pEC50 | = | 5.3 | Functional | Guide to Pharmacology | 516 | 9 | 1 | 4 | 6.8 | CCc1cc(ccc1CN1CC(C1)C(=O)O)/C(=N/OCc1ccc(c(c1)C(F)(F)F)C1CCCCC1)/C | 24900670 | ||
5326 | 10381 | 43 | None | -724 | 5 | Human | 5.3 | pEC50 | = | 5.3 | Functional | Guide to Pharmacology | 516 | 9 | 1 | 4 | 6.8 | CCc1cc(ccc1CN1CC(C1)C(=O)O)/C(=N/OCc1ccc(c(c1)C(F)(F)F)C1CCCCC1)/C | 24900670 | ||
9289 | 10381 | 43 | None | -724 | 5 | Human | 5.3 | pEC50 | = | 5.3 | Functional | Guide to Pharmacology | 516 | 9 | 1 | 4 | 6.8 | CCc1cc(ccc1CN1CC(C1)C(=O)O)/C(=N/OCc1ccc(c(c1)C(F)(F)F)C1CCCCC1)/C | 24900670 | ||
CHEMBL2336071 | 10381 | 43 | None | -724 | 5 | Human | 5.3 | pEC50 | = | 5.3 | Functional | Guide to Pharmacology | 516 | 9 | 1 | 4 | 6.8 | CCc1cc(ccc1CN1CC(C1)C(=O)O)/C(=N/OCc1ccc(c(c1)C(F)(F)F)C1CCCCC1)/C | 24900670 | ||
DB12371 | 10381 | 43 | None | -724 | 5 | Human | 5.3 | pEC50 | = | 5.3 | Functional | Guide to Pharmacology | 516 | 9 | 1 | 4 | 6.8 | CCc1cc(ccc1CN1CC(C1)C(=O)O)/C(=N/OCc1ccc(c(c1)C(F)(F)F)C1CCCCC1)/C | 24900670 | ||
16755143 | 7290 | 0 | None | -123 | 4 | Human | 6.0 | pEC50 | = | 6.0 | Functional | Guide to Pharmacology | 442 | 4 | 1 | 5 | 5.6 | C[C@@H](C(F)(F)F)Oc1ccc(cc1C(F)(F)F)c1onc(n1)c1ccc2c(c1)nc[nH]2 | 25347187 | ||
9569 | 7290 | 0 | None | -123 | 4 | Human | 6.0 | pEC50 | = | 6.0 | Functional | Guide to Pharmacology | 442 | 4 | 1 | 5 | 5.6 | C[C@@H](C(F)(F)F)Oc1ccc(cc1C(F)(F)F)c1onc(n1)c1ccc2c(c1)nc[nH]2 | 25347187 | ||
CHEMBL4297350 | 7290 | 0 | None | -123 | 4 | Human | 6.0 | pEC50 | = | 6.0 | Functional | Guide to Pharmacology | 442 | 4 | 1 | 5 | 5.6 | C[C@@H](C(F)(F)F)Oc1ccc(cc1C(F)(F)F)c1onc(n1)c1ccc2c(c1)nc[nH]2 | 25347187 | ||
DB11819 | 7290 | 0 | None | -123 | 4 | Human | 6.0 | pEC50 | = | 6.0 | Functional | Guide to Pharmacology | 442 | 4 | 1 | 5 | 5.6 | C[C@@H](C(F)(F)F)Oc1ccc(cc1C(F)(F)F)c1onc(n1)c1ccc2c(c1)nc[nH]2 | 25347187 | ||
11259583 | 7312 | 17 | None | -1318 | 7 | Mouse | 5.9 | pEC50 | = | 5.9 | Functional | Guide to Pharmacology | 455 | 7 | 2 | 3 | 6.8 | OC(=O)CCNCc1ccc2c(c1)cc(s2)c1ccc(c(c1)C(F)(F)F)c1ccccc1 | 17113298 | ||
11259583 | 7312 | 17 | None | -1318 | 7 | Mouse | 5.9 | pEC50 | = | 5.9 | Functional | Guide to Pharmacology | 455 | 7 | 2 | 3 | 6.8 | OC(=O)CCNCc1ccc2c(c1)cc(s2)c1ccc(c(c1)C(F)(F)F)c1ccccc1 | 17114004 | ||
2925 | 7312 | 17 | None | -1318 | 7 | Mouse | 5.9 | pEC50 | = | 5.9 | Functional | Guide to Pharmacology | 455 | 7 | 2 | 3 | 6.8 | OC(=O)CCNCc1ccc2c(c1)cc(s2)c1ccc(c(c1)C(F)(F)F)c1ccccc1 | 17113298 | ||
2925 | 7312 | 17 | None | -1318 | 7 | Mouse | 5.9 | pEC50 | = | 5.9 | Functional | Guide to Pharmacology | 455 | 7 | 2 | 3 | 6.8 | OC(=O)CCNCc1ccc2c(c1)cc(s2)c1ccc(c(c1)C(F)(F)F)c1ccccc1 | 17114004 | ||
CHEMBL4579553 | 7312 | 17 | None | -1318 | 7 | Mouse | 5.9 | pEC50 | = | 5.9 | Functional | Guide to Pharmacology | 455 | 7 | 2 | 3 | 6.8 | OC(=O)CCNCc1ccc2c(c1)cc(s2)c1ccc(c(c1)C(F)(F)F)c1ccccc1 | 17113298 | ||
CHEMBL4579553 | 7312 | 17 | None | -1318 | 7 | Mouse | 5.9 | pEC50 | = | 5.9 | Functional | Guide to Pharmacology | 455 | 7 | 2 | 3 | 6.8 | OC(=O)CCNCc1ccc2c(c1)cc(s2)c1ccc(c(c1)C(F)(F)F)c1ccccc1 | 17114004 | ||
11452022 | 10368 | 39 | None | -19 | 6 | Human | 8.5 | pEC50 | = | 8.5 | Functional | Guide to Pharmacology | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CC[C@@](COP(=O)(O)O)(CO)N | 17114004 | ||
6996 | 10368 | 39 | None | -19 | 6 | Human | 8.5 | pEC50 | = | 8.5 | Functional | Guide to Pharmacology | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CC[C@@](COP(=O)(O)O)(CO)N | 17114004 | ||
CHEMBL366208 | 10368 | 39 | None | -19 | 6 | Human | 8.5 | pEC50 | = | 8.5 | Functional | Guide to Pharmacology | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CC[C@@](COP(=O)(O)O)(CO)N | 17114004 | ||
10904818 | 7091 | 0 | None | -2 | 4 | Human | 8.6 | pEC50 | = | 8.6 | Functional | Guide to Pharmacology | 373 | 13 | 3 | 4 | 3.8 | CCCCCCCOc1ccc(cc1)CC[C@](COP(=O)(O)O)(N)C | 11967257 | ||
2937 | 7091 | 0 | None | -2 | 4 | Human | 8.6 | pEC50 | = | 8.6 | Functional | Guide to Pharmacology | 373 | 13 | 3 | 4 | 3.8 | CCCCCCCOc1ccc(cc1)CC[C@](COP(=O)(O)O)(N)C | 11967257 | ||
CHEMBL382739 | 7091 | 0 | None | -2 | 4 | Human | 8.6 | pEC50 | = | 8.6 | Functional | Guide to Pharmacology | 373 | 13 | 3 | 4 | 3.8 | CCCCCCCOc1ccc(cc1)CC[C@](COP(=O)(O)O)(N)C | 11967257 | ||
2924 | 8421 | 43 | None | -10 | 7 | Human | 8.6 | pEC50 | = | 8.6 | Functional | Guide to Pharmacology | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N | 11967257 | ||
2924 | 8421 | 43 | None | -10 | 7 | Human | 8.6 | pEC50 | = | 8.6 | Functional | Guide to Pharmacology | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N | 14747617 | ||
44398069 | 8421 | 43 | None | -10 | 7 | Human | 8.6 | pEC50 | = | 8.6 | Functional | Guide to Pharmacology | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N | 11967257 | ||
44398069 | 8421 | 43 | None | -10 | 7 | Human | 8.6 | pEC50 | = | 8.6 | Functional | Guide to Pharmacology | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N | 14747617 | ||
9908268 | 8421 | 43 | None | -10 | 7 | Human | 8.6 | pEC50 | = | 8.6 | Functional | Guide to Pharmacology | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N | 11967257 | ||
9908268 | 8421 | 43 | None | -10 | 7 | Human | 8.6 | pEC50 | = | 8.6 | Functional | Guide to Pharmacology | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N | 14747617 | ||
CHEMBL114606 | 8421 | 43 | None | -10 | 7 | Human | 8.6 | pEC50 | = | 8.6 | Functional | Guide to Pharmacology | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N | 11967257 | ||
CHEMBL114606 | 8421 | 43 | None | -10 | 7 | Human | 8.6 | pEC50 | = | 8.6 | Functional | Guide to Pharmacology | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N | 14747617 | ||
10883396 | 10421 | 45 | None | -2 | 15 | Mouse | 8.6 | pEC50 | = | 8.6 | Functional | Guide to Pharmacology | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 14732717 | ||
5283560 | 10421 | 45 | None | -2 | 15 | Mouse | 8.6 | pEC50 | = | 8.6 | Functional | Guide to Pharmacology | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 14732717 | ||
911 | 10421 | 45 | None | -2 | 15 | Mouse | 8.6 | pEC50 | = | 8.6 | Functional | Guide to Pharmacology | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 14732717 | ||
CHEMBL225155 | 10421 | 45 | None | -2 | 15 | Mouse | 8.6 | pEC50 | = | 8.6 | Functional | Guide to Pharmacology | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 14732717 | ||
10883396 | 10421 | 45 | None | 1 | 15 | Human | 9.1 | pEC50 | = | 9.1 | Functional | Guide to Pharmacology | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 11705398 | ||
10883396 | 10421 | 45 | None | 1 | 15 | Human | 9.1 | pEC50 | = | 9.1 | Functional | Guide to Pharmacology | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 11967257 | ||
10883396 | 10421 | 45 | None | 1 | 15 | Human | 9.1 | pEC50 | = | 9.1 | Functional | Guide to Pharmacology | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 17114004 | ||
5283560 | 10421 | 45 | None | 1 | 15 | Human | 9.1 | pEC50 | = | 9.1 | Functional | Guide to Pharmacology | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 11705398 | ||
5283560 | 10421 | 45 | None | 1 | 15 | Human | 9.1 | pEC50 | = | 9.1 | Functional | Guide to Pharmacology | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 11967257 | ||
5283560 | 10421 | 45 | None | 1 | 15 | Human | 9.1 | pEC50 | = | 9.1 | Functional | Guide to Pharmacology | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 17114004 | ||
911 | 10421 | 45 | None | 1 | 15 | Human | 9.1 | pEC50 | = | 9.1 | Functional | Guide to Pharmacology | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 11705398 | ||
911 | 10421 | 45 | None | 1 | 15 | Human | 9.1 | pEC50 | = | 9.1 | Functional | Guide to Pharmacology | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 11967257 | ||
911 | 10421 | 45 | None | 1 | 15 | Human | 9.1 | pEC50 | = | 9.1 | Functional | Guide to Pharmacology | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 17114004 | ||
CHEMBL225155 | 10421 | 45 | None | 1 | 15 | Human | 9.1 | pEC50 | = | 9.1 | Functional | Guide to Pharmacology | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 11705398 | ||
CHEMBL225155 | 10421 | 45 | None | 1 | 15 | Human | 9.1 | pEC50 | = | 9.1 | Functional | Guide to Pharmacology | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 11967257 | ||
CHEMBL225155 | 10421 | 45 | None | 1 | 15 | Human | 9.1 | pEC50 | = | 9.1 | Functional | Guide to Pharmacology | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 17114004 | ||
52938427 | 9758 | 55 | None | -1659 | 5 | Human | 5.0 | pEC50 | > | 5 | Functional | Guide to Pharmacology | 404 | 7 | 2 | 7 | 3.6 | OCCN[C@H]1CCc2c1cccc2c1noc(n1)c1ccc(c(c1)C#N)OC(C)C | 26990079 | ||
5383 | 9758 | 55 | None | -1659 | 5 | Human | 5.0 | pEC50 | > | 5 | Functional | Guide to Pharmacology | 404 | 7 | 2 | 7 | 3.6 | OCCN[C@H]1CCc2c1cccc2c1noc(n1)c1ccc(c(c1)C#N)OC(C)C | 26990079 | ||
8709 | 9758 | 55 | None | -1659 | 5 | Human | 5.0 | pEC50 | > | 5 | Functional | Guide to Pharmacology | 404 | 7 | 2 | 7 | 3.6 | OCCN[C@H]1CCc2c1cccc2c1noc(n1)c1ccc(c(c1)C#N)OC(C)C | 26990079 | ||
CHEMBL3707247 | 9758 | 55 | None | -1659 | 5 | Human | 5.0 | pEC50 | > | 5 | Functional | Guide to Pharmacology | 404 | 7 | 2 | 7 | 3.6 | OCCN[C@H]1CCc2c1cccc2c1noc(n1)c1ccc(c(c1)C#N)OC(C)C | 26990079 | ||
DB12612 | 9758 | 55 | None | -1659 | 5 | Human | 5.0 | pEC50 | > | 5 | Functional | Guide to Pharmacology | 404 | 7 | 2 | 7 | 3.6 | OCCN[C@H]1CCc2c1cccc2c1noc(n1)c1ccc(c(c1)C#N)OC(C)C | 26990079 | ||
10282223 | 10782 | 4 | None | 5 | 3 | Human | 6.5 | pEC50 | None | 6.5 | Functional | Guide to Pharmacology | 601 | 24 | 3 | 4 | 8.4 | CCCCCCCC/C=C\CCCCCCCC(=O)N[C@H](Cc1ccc(cc1)OCc1ccccc1)COP(=O)(O)O | 17113298 | ||
2909 | 10782 | 4 | None | 5 | 3 | Human | 6.5 | pEC50 | None | 6.5 | Functional | Guide to Pharmacology | 601 | 24 | 3 | 4 | 8.4 | CCCCCCCC/C=C\CCCCCCCC(=O)N[C@H](Cc1ccc(cc1)OCc1ccccc1)COP(=O)(O)O | 17113298 | ||
CHEMBL327240 | 10782 | 4 | None | 5 | 3 | Human | 6.5 | pEC50 | None | 6.5 | Functional | Guide to Pharmacology | 601 | 24 | 3 | 4 | 8.4 | CCCCCCCC/C=C\CCCCCCCC(=O)N[C@H](Cc1ccc(cc1)OCc1ccccc1)COP(=O)(O)O | 17113298 | ||
2924 | 8421 | 43 | None | -10 | 7 | Human | 8.3 | pIC50 | = | 8.3 | Functional | Guide to Pharmacology | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N | 11967257 | ||
2924 | 8421 | 43 | None | -10 | 7 | Human | 8.3 | pIC50 | = | 8.3 | Functional | Guide to Pharmacology | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N | 14747617 | ||
44398069 | 8421 | 43 | None | -10 | 7 | Human | 8.3 | pIC50 | = | 8.3 | Functional | Guide to Pharmacology | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N | 11967257 | ||
44398069 | 8421 | 43 | None | -10 | 7 | Human | 8.3 | pIC50 | = | 8.3 | Functional | Guide to Pharmacology | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N | 14747617 | ||
9908268 | 8421 | 43 | None | -10 | 7 | Human | 8.3 | pIC50 | = | 8.3 | Functional | Guide to Pharmacology | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N | 11967257 | ||
9908268 | 8421 | 43 | None | -10 | 7 | Human | 8.3 | pIC50 | = | 8.3 | Functional | Guide to Pharmacology | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N | 14747617 | ||
CHEMBL114606 | 8421 | 43 | None | -10 | 7 | Human | 8.3 | pIC50 | = | 8.3 | Functional | Guide to Pharmacology | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N | 11967257 | ||
CHEMBL114606 | 8421 | 43 | None | -10 | 7 | Human | 8.3 | pIC50 | = | 8.3 | Functional | Guide to Pharmacology | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N | 14747617 | ||
10430549 | 7834 | 39 | None | -20417 | 4 | Human | 4.9 | pIC50 | None | 4.9 | Functional | Guide to Pharmacology | 391 | 7 | 1 | 5 | 4.1 | CC(Cc1ccc(cc1)c1onc(n1)c1ccc(cc1)CN1CC(C1)C(=O)O)C | 16190743 | ||
2929 | 7834 | 39 | None | -20417 | 4 | Human | 4.9 | pIC50 | None | 4.9 | Functional | Guide to Pharmacology | 391 | 7 | 1 | 5 | 4.1 | CC(Cc1ccc(cc1)c1onc(n1)c1ccc(cc1)CN1CC(C1)C(=O)O)C | 16190743 | ||
CHEMBL194419 | 7834 | 39 | None | -20417 | 4 | Human | 4.9 | pIC50 | None | 4.9 | Functional | Guide to Pharmacology | 391 | 7 | 1 | 5 | 4.1 | CC(Cc1ccc(cc1)c1onc(n1)c1ccc(cc1)CN1CC(C1)C(=O)O)C | 16190743 |
Ligands (move mouse cursor over ligand name to see structure) | Receptor | Assay information | Chemical information | |||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Sel. page | Similar- ity |
Common name |
GPCRdb ID |
#Vendors |
Reference ligand |
Fold selectivity |
# Tested GPCRs |
Species |
p-value (-log) |
Activity Type |
Activity Relation |
Activity Value |
Assay Type |
Assay Description |
Source |
Mol weight |
Rot Bonds |
H don |
H acc |
LogP |
Smiles |
DOI |
10883396 | 10421 | 45 | None | -1 | 4 | Human | 9.7 | pEC50 | = | 9.7 | Binding | ChEMBL | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 10.1021/jm100181s | |||
5283560 | 10421 | 45 | None | -1 | 4 | Human | 9.7 | pEC50 | = | 9.7 | Binding | ChEMBL | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 10.1021/jm100181s | |||
911 | 10421 | 45 | None | -1 | 4 | Human | 9.7 | pEC50 | = | 9.7 | Binding | ChEMBL | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 10.1021/jm100181s | |||
CHEMBL225155 | 10421 | 45 | None | -1 | 4 | Human | 9.7 | pEC50 | = | 9.7 | Binding | ChEMBL | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 10.1021/jm100181s | |||
10883396 | 10421 | 45 | None | -1 | 4 | Human | 9.0 | pEC50 | = | 9.0 | Binding | ChEMBL | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 10.1016/s0960-894x(03)00812-6 | |||
5283560 | 10421 | 45 | None | -1 | 4 | Human | 9.0 | pEC50 | = | 9.0 | Binding | ChEMBL | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 10.1016/s0960-894x(03)00812-6 | |||
911 | 10421 | 45 | None | -1 | 4 | Human | 9.0 | pEC50 | = | 9.0 | Binding | ChEMBL | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 10.1016/s0960-894x(03)00812-6 | |||
CHEMBL225155 | 10421 | 45 | None | -1 | 4 | Human | 9.0 | pEC50 | = | 9.0 | Binding | ChEMBL | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 10.1016/s0960-894x(03)00812-6 | |||
10883396 | 10421 | 45 | None | -1 | 4 | Human | 8.9 | pEC50 | = | 8.9 | Binding | ChEMBL | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 10.1016/j.bmcl.2004.07.030 | |||
5283560 | 10421 | 45 | None | -1 | 4 | Human | 8.9 | pEC50 | = | 8.9 | Binding | ChEMBL | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 10.1016/j.bmcl.2004.07.030 | |||
911 | 10421 | 45 | None | -1 | 4 | Human | 8.9 | pEC50 | = | 8.9 | Binding | ChEMBL | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 10.1016/j.bmcl.2004.07.030 | |||
CHEMBL225155 | 10421 | 45 | None | -1 | 4 | Human | 8.9 | pEC50 | = | 8.9 | Binding | ChEMBL | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 10.1016/j.bmcl.2004.07.030 | |||
49839234 | 124729 | 1 | None | - | 0 | Human | 5.0 | pEC50 | = | 5 | Binding | ChEMBL | 472 | 6 | 3 | 3 | 6.1 | O=C(O)CC1NCCc2c1[nH]c1ccc(OCc3ccc(C4CCCC4)c(C(F)(F)F)c3)cc21 | 10.1016/j.bmcl.2014.11.089 | |||
CHEMBL3403619 | 124729 | 1 | None | - | 0 | Human | 5.0 | pEC50 | = | 5 | Binding | ChEMBL | 472 | 6 | 3 | 3 | 6.1 | O=C(O)CC1NCCc2c1[nH]c1ccc(OCc3ccc(C4CCCC4)c(C(F)(F)F)c3)cc21 | 10.1016/j.bmcl.2014.11.089 | |||
25110488 | 78760 | 0 | None | - | 0 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 352 | 4 | 0 | 3 | 5.4 | O=C(c1cc(-c2ccccc2)on1)N(C1CCCCC1)C1CCCCC1 | 10.1016/j.bmcl.2013.09.075 | |||
CHEMBL1973788 | 78760 | 0 | None | - | 0 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 352 | 4 | 0 | 3 | 5.4 | O=C(c1cc(-c2ccccc2)on1)N(C1CCCCC1)C1CCCCC1 | 10.1016/j.bmcl.2013.09.075 | |||
17253208 | 8081 | 51 | None | - | 0 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 316 | 4 | 0 | 3 | 4.7 | O=C(N(C1CCCCC1)C1CCCCC1)c1noc(c1)C1CC1 | 10.1016/j.bmcl.2013.09.075 | |||
9494 | 8081 | 51 | None | - | 0 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 316 | 4 | 0 | 3 | 4.7 | O=C(N(C1CCCCC1)C1CCCCC1)c1noc(c1)C1CC1 | 10.1016/j.bmcl.2013.09.075 | |||
CHEMBL1970071 | 8081 | 51 | None | - | 0 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 316 | 4 | 0 | 3 | 4.7 | O=C(N(C1CCCCC1)C1CCCCC1)c1noc(c1)C1CC1 | 10.1016/j.bmcl.2013.09.075 | |||
127031187 | 145660 | 0 | None | - | 0 | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 446 | 10 | 4 | 6 | 3.3 | CCc1nc(-c2ccc(-c3ccc(CCC(N)(CO)COP(=O)(O)O)cc3)cc2)co1 | 10.1016/j.bmc.2016.03.059 | |||
CHEMBL3781008 | 145660 | 0 | None | - | 0 | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 446 | 10 | 4 | 6 | 3.3 | CCc1nc(-c2ccc(-c3ccc(CCC(N)(CO)COP(=O)(O)O)cc3)cc2)co1 | 10.1016/j.bmc.2016.03.059 | |||
CHEMBL3782062 | 145660 | 0 | None | - | 0 | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 446 | 10 | 4 | 6 | 3.3 | CCc1nc(-c2ccc(-c3ccc(CCC(N)(CO)COP(=O)(O)O)cc3)cc2)co1 | 10.1016/j.bmc.2016.03.059 | |||
67169586 | 189117 | 0 | None | - | 0 | Human | 5.0 | pEC50 | = | 5.0 | Binding | ChEMBL | 486 | 6 | 1 | 5 | 5.4 | CC(C)Oc1ccc(-c2onc3c2CCc2cc(CN4CC(C(=O)O)C4)ccc2-3)c(C(F)(F)F)c1 | 10.1021/acs.jmedchem.6b01099 | |||
CHEMBL4784466 | 189117 | 0 | None | - | 0 | Human | 5.0 | pEC50 | = | 5.0 | Binding | ChEMBL | 486 | 6 | 1 | 5 | 5.4 | CC(C)Oc1ccc(-c2onc3c2CCc2cc(CN4CC(C(=O)O)C4)ccc2-3)c(C(F)(F)F)c1 | 10.1021/acs.jmedchem.6b01099 | |||
76325531 | 112534 | 0 | None | - | 0 | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 454 | 11 | 3 | 8 | 2.5 | CCCc1cc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)ccn1 | 10.1021/ml500484v | |||
CHEMBL3126602 | 112534 | 0 | None | - | 0 | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 454 | 11 | 3 | 8 | 2.5 | CCCc1cc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)ccn1 | 10.1021/ml500484v | |||
67168053 | 187626 | 0 | None | - | 0 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 497 | 5 | 1 | 7 | 5.1 | O=C(O)C1CN(Cc2ccc3c(c2)OCc2c-3noc2-c2noc(-c3ccccc3)c2C(F)(F)F)C1 | 10.1021/acs.jmedchem.6b01099 | |||
CHEMBL4757149 | 187626 | 0 | None | - | 0 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 497 | 5 | 1 | 7 | 5.1 | O=C(O)C1CN(Cc2ccc3c(c2)OCc2c-3noc2-c2noc(-c3ccccc3)c2C(F)(F)F)C1 | 10.1021/acs.jmedchem.6b01099 | |||
67169634 | 187772 | 0 | None | - | 0 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 509 | 5 | 1 | 6 | 5.6 | Cc1cc2c(cc1CN1CC(C(=O)O)C1)CCc1c-2noc1-c1noc(-c2ccccc2)c1C(F)(F)F | 10.1021/acs.jmedchem.6b01099 | |||
CHEMBL4758827 | 187772 | 0 | None | - | 0 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 509 | 5 | 1 | 6 | 5.6 | Cc1cc2c(cc1CN1CC(C(=O)O)C1)CCc1c-2noc1-c1noc(-c2ccccc2)c1C(F)(F)F | 10.1021/acs.jmedchem.6b01099 | |||
67170332 | 187452 | 0 | None | - | 0 | Human | 4.9 | pEC50 | = | 4.9 | Binding | ChEMBL | 511 | 5 | 1 | 6 | 5.8 | O=C(O)C1CN(Cc2ccc3c(c2)CCc2nc(-c4onc(-c5ccccc5)c4C(F)(F)F)sc2-3)C1 | 10.1021/acs.jmedchem.6b01099 | |||
CHEMBL4755286 | 187452 | 0 | None | - | 0 | Human | 4.9 | pEC50 | = | 4.9 | Binding | ChEMBL | 511 | 5 | 1 | 6 | 5.8 | O=C(O)C1CN(Cc2ccc3c(c2)CCc2nc(-c4onc(-c5ccccc5)c4C(F)(F)F)sc2-3)C1 | 10.1021/acs.jmedchem.6b01099 | |||
162673462 | 189970 | 0 | None | - | 0 | Human | 4.9 | pEC50 | = | 4.9 | Binding | ChEMBL | 509 | 5 | 1 | 6 | 5.7 | O=C(O)C1CN(Cc2ccc3c(c2)CCCc2c(-c4noc(-c5ccccc5)c4C(F)(F)F)noc2-3)C1 | 10.1021/acs.jmedchem.6b01099 | |||
CHEMBL4795734 | 189970 | 0 | None | - | 0 | Human | 4.9 | pEC50 | = | 4.9 | Binding | ChEMBL | 509 | 5 | 1 | 6 | 5.7 | O=C(O)C1CN(Cc2ccc3c(c2)CCCc2c(-c4noc(-c5ccccc5)c4C(F)(F)F)noc2-3)C1 | 10.1021/acs.jmedchem.6b01099 | |||
2924 | 8421 | 43 | None | - | 0 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N | 10.1016/j.bmcl.2020.127141 | |||
44398069 | 8421 | 43 | None | - | 0 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N | 10.1016/j.bmcl.2020.127141 | |||
9908268 | 8421 | 43 | None | - | 0 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N | 10.1016/j.bmcl.2020.127141 | |||
CHEMBL114606 | 8421 | 43 | None | - | 0 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N | 10.1016/j.bmcl.2020.127141 | |||
53235408 | 187654 | 0 | None | - | 0 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 473 | 5 | 1 | 6 | 4.7 | CC1(c2onc(-c3onc4c3CCc3cc(CN5CC(C(=O)O)C5)ccc3-4)c2C(F)(F)F)CC1 | 10.1021/acs.jmedchem.6b01099 | |||
CHEMBL4757437 | 187654 | 0 | None | - | 0 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 473 | 5 | 1 | 6 | 4.7 | CC1(c2onc(-c3onc4c3CCc3cc(CN5CC(C(=O)O)C5)ccc3-4)c2C(F)(F)F)CC1 | 10.1021/acs.jmedchem.6b01099 | |||
67171369 | 188470 | 0 | None | - | 0 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 496 | 5 | 1 | 7 | 4.7 | O=C(O)C1CN(Cc2ccc3c(c2)CCc2c-3noc2-c2onc(-c3ccccn3)c2C(F)(F)F)C1 | 10.1021/acs.jmedchem.6b01099 | |||
CHEMBL4776597 | 188470 | 0 | None | - | 0 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 496 | 5 | 1 | 7 | 4.7 | O=C(O)C1CN(Cc2ccc3c(c2)CCc2c-3noc2-c2onc(-c3ccccn3)c2C(F)(F)F)C1 | 10.1021/acs.jmedchem.6b01099 | |||
162660222 | 188008 | 0 | None | - | 0 | Human | 4.9 | pEC50 | = | 4.9 | Binding | ChEMBL | 553 | 6 | 2 | 7 | 5.6 | O=C(O)[C@H]1CCCN(CC(O)c2ccc3c(c2)CCc2c(-c4noc(-c5ccccc5)c4C(F)(F)F)noc2-3)C1 | 10.1021/acs.jmedchem.6b01099 | |||
CHEMBL4761456 | 188008 | 0 | None | - | 0 | Human | 4.9 | pEC50 | = | 4.9 | Binding | ChEMBL | 553 | 6 | 2 | 7 | 5.6 | O=C(O)[C@H]1CCCN(CC(O)c2ccc3c(c2)CCc2c(-c4noc(-c5ccccc5)c4C(F)(F)F)noc2-3)C1 | 10.1021/acs.jmedchem.6b01099 | |||
76321895 | 112539 | 0 | None | - | 0 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 482 | 12 | 3 | 8 | 3.4 | CCc1cc(-c2noc(-c3ccnc(C(CC)CC)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1021/ml500484v | |||
CHEMBL3126607 | 112539 | 0 | None | - | 0 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 482 | 12 | 3 | 8 | 3.4 | CCc1cc(-c2noc(-c3ccnc(C(CC)CC)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1021/ml500484v | |||
25110485 | 79538 | 0 | None | - | 0 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 332 | 5 | 0 | 3 | 5.0 | CC(C)Cc1cc(C(=O)N(C2CCCCC2)C2CCCCC2)no1 | 10.1016/j.bmcl.2013.09.075 | |||
CHEMBL1999116 | 79538 | 0 | None | - | 0 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 332 | 5 | 0 | 3 | 5.0 | CC(C)Cc1cc(C(=O)N(C2CCCCC2)C2CCCCC2)no1 | 10.1016/j.bmcl.2013.09.075 | |||
67169708 | 189103 | 0 | None | - | 0 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 511 | 5 | 1 | 6 | 5.8 | O=C(O)C1CN(Cc2ccc3c(c2)CCc2c-3noc2-c2nsc(-c3ccccc3)c2C(F)(F)F)C1 | 10.1021/acs.jmedchem.6b01099 | |||
CHEMBL4784344 | 189103 | 0 | None | - | 0 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 511 | 5 | 1 | 6 | 5.8 | O=C(O)C1CN(Cc2ccc3c(c2)CCc2c-3noc2-c2nsc(-c3ccccc3)c2C(F)(F)F)C1 | 10.1021/acs.jmedchem.6b01099 | |||
68182170 | 189810 | 0 | None | - | 0 | Human | 4.9 | pEC50 | = | 4.9 | Binding | ChEMBL | 448 | 8 | 1 | 6 | 4.4 | CCOc1ccc(-c2onc3c2CCc2cc(CN4CC(C(=O)O)C4)ccc2-3)cc1OCC | 10.1021/acs.jmedchem.6b01099 | |||
CHEMBL4793933 | 189810 | 0 | None | - | 0 | Human | 4.9 | pEC50 | = | 4.9 | Binding | ChEMBL | 448 | 8 | 1 | 6 | 4.4 | CCOc1ccc(-c2onc3c2CCc2cc(CN4CC(C(=O)O)C4)ccc2-3)cc1OCC | 10.1021/acs.jmedchem.6b01099 | |||
57391920 | 76661 | 0 | None | - | 0 | Human | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 422 | 3 | 1 | 3 | 5.5 | Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(C(F)(F)F)c2)c(=O)c2ccccc21 | 10.1021/acs.jmedchem.9b02092 | |||
CHEMBL1938937 | 76661 | 0 | None | - | 0 | Human | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 422 | 3 | 1 | 3 | 5.5 | Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(C(F)(F)F)c2)c(=O)c2ccccc21 | 10.1021/acs.jmedchem.9b02092 | |||
44342468 | 18890 | 0 | None | - | 0 | Human | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 372 | 12 | 4 | 4 | 3.0 | CCCCCCCCc1ccc(NC(=O)[C@@H](N)COP(=O)(O)O)cc1 | 10.1016/s0960-894x(03)00812-6 | |||
CHEMBL1184089 | 18890 | 0 | None | - | 0 | Human | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 372 | 12 | 4 | 4 | 3.0 | CCCCCCCCc1ccc(NC(=O)[C@@H](N)COP(=O)(O)O)cc1 | 10.1016/s0960-894x(03)00812-6 | |||
CHEMBL332050 | 18890 | 0 | None | - | 0 | Human | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 372 | 12 | 4 | 4 | 3.0 | CCCCCCCCc1ccc(NC(=O)[C@@H](N)COP(=O)(O)O)cc1 | 10.1016/s0960-894x(03)00812-6 | |||
162662293 | 188225 | 0 | None | - | 0 | Human | 4.8 | pEC50 | = | 4.8 | Binding | ChEMBL | 513 | 5 | 1 | 6 | 5.4 | O=C(O)C1CN(Cc2cc3c(cc2F)-c2noc(-c4noc(-c5ccccc5)c4C(F)(F)F)c2CC3)C1 | 10.1021/acs.jmedchem.6b01099 | |||
CHEMBL4764300 | 188225 | 0 | None | - | 0 | Human | 4.8 | pEC50 | = | 4.8 | Binding | ChEMBL | 513 | 5 | 1 | 6 | 5.4 | O=C(O)C1CN(Cc2cc3c(cc2F)-c2noc(-c4noc(-c5ccccc5)c4C(F)(F)F)c2CC3)C1 | 10.1021/acs.jmedchem.6b01099 | |||
46835922 | 146233 | 13 | None | - | 0 | Human | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 470 | 6 | 1 | 7 | 4.6 | O=C(O)C1CN(Cc2ccc(-c3noc(-c4onc(-c5ccccc5)c4C(F)(F)F)n3)cc2)C1 | 10.1021/acs.jmedchem.6b01099 | |||
CHEMBL3794064 | 146233 | 13 | None | - | 0 | Human | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 470 | 6 | 1 | 7 | 4.6 | O=C(O)C1CN(Cc2ccc(-c3noc(-c4onc(-c5ccccc5)c4C(F)(F)F)n3)cc2)C1 | 10.1021/acs.jmedchem.6b01099 | |||
68192004 | 190192 | 0 | None | - | 0 | Human | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 511 | 5 | 1 | 7 | 5.1 | O=C(O)C1CN(Cc2ccc3c(c2)OCCc2c(-c4noc(-c5ccccc5)c4C(F)(F)F)noc2-3)C1 | 10.1021/acs.jmedchem.6b01099 | |||
CHEMBL4798447 | 190192 | 0 | None | - | 0 | Human | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 511 | 5 | 1 | 7 | 5.1 | O=C(O)C1CN(Cc2ccc3c(c2)OCCc2c(-c4noc(-c5ccccc5)c4C(F)(F)F)noc2-3)C1 | 10.1021/acs.jmedchem.6b01099 | |||
46835922 | 146233 | 13 | None | - | 0 | Human | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 470 | 6 | 1 | 7 | 4.6 | O=C(O)C1CN(Cc2ccc(-c3noc(-c4onc(-c5ccccc5)c4C(F)(F)F)n3)cc2)C1 | 10.1016/j.bmcl.2016.03.105 | |||
CHEMBL3794064 | 146233 | 13 | None | - | 0 | Human | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 470 | 6 | 1 | 7 | 4.6 | O=C(O)C1CN(Cc2ccc(-c3noc(-c4onc(-c5ccccc5)c4C(F)(F)F)n3)cc2)C1 | 10.1016/j.bmcl.2016.03.105 | |||
44398012 | 19036 | 0 | None | - | 0 | Human | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 425 | 12 | 4 | 4 | 4.4 | CCCCCCCCc1ccc(-c2c[nH]c(C(C)(N)COP(O)(O)=S)n2)cc1 | 10.1016/j.bmcl.2005.05.097 | |||
CHEMBL1184707 | 19036 | 0 | None | - | 0 | Human | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 425 | 12 | 4 | 4 | 4.4 | CCCCCCCCc1ccc(-c2c[nH]c(C(C)(N)COP(O)(O)=S)n2)cc1 | 10.1016/j.bmcl.2005.05.097 | |||
CHEMBL364950 | 19036 | 0 | None | - | 0 | Human | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 425 | 12 | 4 | 4 | 4.4 | CCCCCCCCc1ccc(-c2c[nH]c(C(C)(N)COP(O)(O)=S)n2)cc1 | 10.1016/j.bmcl.2005.05.097 | |||
162660222 | 188008 | 0 | None | - | 0 | Human | 4.8 | pEC50 | = | 4.8 | Binding | ChEMBL | 553 | 6 | 2 | 7 | 5.6 | O=C(O)[C@H]1CCCN(CC(O)c2ccc3c(c2)CCc2c(-c4noc(-c5ccccc5)c4C(F)(F)F)noc2-3)C1 | 10.1021/acs.jmedchem.6b01099 | |||
CHEMBL4761456 | 188008 | 0 | None | - | 0 | Human | 4.8 | pEC50 | = | 4.8 | Binding | ChEMBL | 553 | 6 | 2 | 7 | 5.6 | O=C(O)[C@H]1CCCN(CC(O)c2ccc3c(c2)CCc2c(-c4noc(-c5ccccc5)c4C(F)(F)F)noc2-3)C1 | 10.1021/acs.jmedchem.6b01099 | |||
25110492 | 78700 | 0 | None | - | 0 | Human | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 302 | 4 | 0 | 3 | 4.3 | O=C(c1cc(C2CC2)on1)N(C1CCCCC1)C1CCCC1 | 10.1016/j.bmcl.2013.09.075 | |||
CHEMBL1972130 | 78700 | 0 | None | - | 0 | Human | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 302 | 4 | 0 | 3 | 4.3 | O=C(c1cc(C2CC2)on1)N(C1CCCCC1)C1CCCC1 | 10.1016/j.bmcl.2013.09.075 | |||
162671724 | 189742 | 0 | None | - | 0 | Human | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 567 | 7 | 2 | 7 | 6.0 | O=C(O)C[C@H]1CCCN(CC(O)c2ccc3c(c2)CCc2c(-c4noc(-c5ccccc5)c4C(F)(F)F)noc2-3)C1 | 10.1021/acs.jmedchem.6b01099 | |||
CHEMBL4792990 | 189742 | 0 | None | - | 0 | Human | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 567 | 7 | 2 | 7 | 6.0 | O=C(O)C[C@H]1CCCN(CC(O)c2ccc3c(c2)CCc2c(-c4noc(-c5ccccc5)c4C(F)(F)F)noc2-3)C1 | 10.1021/acs.jmedchem.6b01099 | |||
44398058 | 18538 | 0 | None | - | 0 | Human | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 395 | 12 | 4 | 4 | 4.1 | CCCCCCCCc1ccc(-c2c[nH]c([C@H](N)COP(=O)(O)O)n2)cc1 | 10.1016/j.bmcl.2005.05.097 | |||
CHEMBL1181660 | 18538 | 0 | None | - | 0 | Human | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 395 | 12 | 4 | 4 | 4.1 | CCCCCCCCc1ccc(-c2c[nH]c([C@H](N)COP(=O)(O)O)n2)cc1 | 10.1016/j.bmcl.2005.05.097 | |||
CHEMBL187712 | 18538 | 0 | None | - | 0 | Human | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 395 | 12 | 4 | 4 | 4.1 | CCCCCCCCc1ccc(-c2c[nH]c([C@H](N)COP(=O)(O)O)n2)cc1 | 10.1016/j.bmcl.2005.05.097 | |||
25110510 | 79442 | 0 | None | - | 0 | Human | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 316 | 4 | 0 | 3 | 4.5 | CC1CCCCC1N(C(=O)c1cc(C2CC2)on1)C1CCCC1 | 10.1016/j.bmcl.2013.09.075 | |||
CHEMBL1995815 | 79442 | 0 | None | - | 0 | Human | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 316 | 4 | 0 | 3 | 4.5 | CC1CCCCC1N(C(=O)c1cc(C2CC2)on1)C1CCCC1 | 10.1016/j.bmcl.2013.09.075 | |||
162656217 | 187746 | 0 | None | - | 0 | Human | 4.8 | pEC50 | = | 4.8 | Binding | ChEMBL | 561 | 7 | 2 | 8 | 4.0 | CS(=O)(=O)CCNC(=O)C(O)c1ccc2c(c1)CCc1c(-c3noc(-c4ccccc4)c3C(F)(F)F)noc1-2 | 10.1021/acs.jmedchem.6b01099 | |||
CHEMBL4758481 | 187746 | 0 | None | - | 0 | Human | 4.8 | pEC50 | = | 4.8 | Binding | ChEMBL | 561 | 7 | 2 | 8 | 4.0 | CS(=O)(=O)CCNC(=O)C(O)c1ccc2c(c1)CCc1c(-c3noc(-c4ccccc4)c3C(F)(F)F)noc1-2 | 10.1021/acs.jmedchem.6b01099 | |||
52914984 | 154336 | 0 | None | - | 0 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 495 | 5 | 1 | 6 | 5.3 | O=C(O)C1CN(Cc2ccc3c(c2)CCc2c-3noc2-c2noc(-c3ccccc3)c2C(F)(F)F)C1 | 10.1021/acs.jmedchem.6b01099 | |||
CHEMBL3930827 | 154336 | 0 | None | - | 0 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 495 | 5 | 1 | 6 | 5.3 | O=C(O)C1CN(Cc2ccc3c(c2)CCc2c-3noc2-c2noc(-c3ccccc3)c2C(F)(F)F)C1 | 10.1021/acs.jmedchem.6b01099 | |||
46847147 | 146105 | 0 | None | - | 0 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 431 | 7 | 1 | 8 | 3.5 | CCc1c(-c2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3)no2)noc1-c1ccccn1 | 10.1016/j.bmcl.2016.03.105 | |||
CHEMBL3792704 | 146105 | 0 | None | - | 0 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 431 | 7 | 1 | 8 | 3.5 | CCc1c(-c2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3)no2)noc1-c1ccccn1 | 10.1016/j.bmcl.2016.03.105 | |||
127027154 | 145098 | 0 | None | - | 0 | Human | 4.7 | pEC50 | = | 4.7 | Binding | ChEMBL | 330 | 4 | 0 | 4 | 5.3 | CC(C)Oc1ccc(-c2nnc(-c3ccccc3)s2)cc1Cl | 10.1021/acs.jmedchem.5b01512 | |||
CHEMBL3771092 | 145098 | 0 | None | - | 0 | Human | 4.7 | pEC50 | = | 4.7 | Binding | ChEMBL | 330 | 4 | 0 | 4 | 5.3 | CC(C)Oc1ccc(-c2nnc(-c3ccccc3)s2)cc1Cl | 10.1021/acs.jmedchem.5b01512 | |||
2924 | 8421 | 43 | None | - | 0 | Human | 8.7 | pEC50 | = | 8.7 | Binding | ChEMBL | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N | 10.1016/j.bmcl.2005.05.097 | |||
44398069 | 8421 | 43 | None | - | 0 | Human | 8.7 | pEC50 | = | 8.7 | Binding | ChEMBL | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N | 10.1016/j.bmcl.2005.05.097 | |||
9908268 | 8421 | 43 | None | - | 0 | Human | 8.7 | pEC50 | = | 8.7 | Binding | ChEMBL | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N | 10.1016/j.bmcl.2005.05.097 | |||
CHEMBL114606 | 8421 | 43 | None | - | 0 | Human | 8.7 | pEC50 | = | 8.7 | Binding | ChEMBL | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N | 10.1016/j.bmcl.2005.05.097 | |||
25110496 | 78614 | 0 | None | - | 0 | Human | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 344 | 4 | 0 | 3 | 5.2 | CC1CCCCC1N(C(=O)c1cc(C2CC2)on1)C1CCCCC1C | 10.1016/j.bmcl.2013.09.075 | |||
CHEMBL1969371 | 78614 | 0 | None | - | 0 | Human | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 344 | 4 | 0 | 3 | 5.2 | CC1CCCCC1N(C(=O)c1cc(C2CC2)on1)C1CCCCC1C | 10.1016/j.bmcl.2013.09.075 | |||
77050638 | 147088 | 9 | None | - | 0 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 329 | 7 | 2 | 2 | 4.7 | CCCCCC[C@@H]1CCc2cc([C@H]3CC[C@](N)(CO)C3)ccc2C1 | 10.1021/acs.jmedchem.6b01433 | |||
CHEMBL3806158 | 147088 | 9 | None | - | 0 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 329 | 7 | 2 | 2 | 4.7 | CCCCCC[C@@H]1CCc2cc([C@H]3CC[C@](N)(CO)C3)ccc2C1 | 10.1021/acs.jmedchem.6b01433 | |||
67170391 | 187083 | 0 | None | - | 0 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 510 | 5 | 1 | 4 | 6.7 | O=C(O)C1CN(Cc2ccc3c(c2)CCc2c-3noc2-c2ccc(C3CCCCC3)c(C(F)(F)F)c2)C1 | 10.1021/acs.jmedchem.6b01099 | |||
CHEMBL4750972 | 187083 | 0 | None | - | 0 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 510 | 5 | 1 | 4 | 6.7 | O=C(O)C1CN(Cc2ccc3c(c2)CCc2c-3noc2-c2ccc(C3CCCCC3)c(C(F)(F)F)c2)C1 | 10.1021/acs.jmedchem.6b01099 | |||
46847145 | 146161 | 0 | None | - | 0 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 445 | 8 | 1 | 8 | 3.9 | CCCc1c(-c2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3)no2)noc1-c1ccccn1 | 10.1016/j.bmcl.2016.03.105 | |||
CHEMBL3793185 | 146161 | 0 | None | - | 0 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 445 | 8 | 1 | 8 | 3.9 | CCCc1c(-c2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3)no2)noc1-c1ccccn1 | 10.1016/j.bmcl.2016.03.105 | |||
162657458 | 187817 | 0 | None | - | 0 | Human | 4.6 | pEC50 | = | 4.6 | Binding | ChEMBL | 535 | 4 | 2 | 7 | 4.2 | O=C1NC(=O)C2(CN(Cc3ccc4c(c3)CCc3c(-c5noc(-c6ccccc6)c5C(F)(F)F)noc3-4)C2)N1 | 10.1021/acs.jmedchem.6b01099 | |||
CHEMBL4759408 | 187817 | 0 | None | - | 0 | Human | 4.6 | pEC50 | = | 4.6 | Binding | ChEMBL | 535 | 4 | 2 | 7 | 4.2 | O=C1NC(=O)C2(CN(Cc3ccc4c(c3)CCc3c(-c5noc(-c6ccccc6)c5C(F)(F)F)noc3-4)C2)N1 | 10.1021/acs.jmedchem.6b01099 | |||
86299710 | 125654 | 0 | None | - | 0 | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 482 | 12 | 3 | 8 | 3.1 | CCc1cc(-c2noc(-c3ccnc(CCC(C)C)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1021/ml500484v | |||
CHEMBL3422425 | 125654 | 0 | None | - | 0 | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 482 | 12 | 3 | 8 | 3.1 | CCc1cc(-c2noc(-c3ccnc(CCC(C)C)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1021/ml500484v | |||
53234380 | 159193 | 0 | None | - | 0 | Human | 4.6 | pEC50 | = | 4.6 | Binding | ChEMBL | 486 | 6 | 1 | 5 | 5.4 | CC(C)Oc1ccc(-c2onc3c2CCc2cc(CN4CC(C(=O)O)C4)ccc2-3)cc1C(F)(F)F | 10.1021/acs.jmedchem.6b01099 | |||
CHEMBL3970572 | 159193 | 0 | None | - | 0 | Human | 4.6 | pEC50 | = | 4.6 | Binding | ChEMBL | 486 | 6 | 1 | 5 | 5.4 | CC(C)Oc1ccc(-c2onc3c2CCc2cc(CN4CC(C(=O)O)C4)ccc2-3)cc1C(F)(F)F | 10.1021/acs.jmedchem.6b01099 | |||
44398172 | 18551 | 0 | None | - | 0 | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 315 | 10 | 3 | 3 | 4.0 | CCCCCCCCc1ccc(-c2c[nH]c([C@H](N)CO)n2)cc1 | 10.1016/j.bmcl.2005.05.097 | |||
CHEMBL1181739 | 18551 | 0 | None | - | 0 | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 315 | 10 | 3 | 3 | 4.0 | CCCCCCCCc1ccc(-c2c[nH]c([C@H](N)CO)n2)cc1 | 10.1016/j.bmcl.2005.05.097 | |||
CHEMBL190529 | 18551 | 0 | None | - | 0 | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 315 | 10 | 3 | 3 | 4.0 | CCCCCCCCc1ccc(-c2c[nH]c([C@H](N)CO)n2)cc1 | 10.1016/j.bmcl.2005.05.097 | |||
25110511 | 78823 | 0 | None | - | 0 | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 316 | 4 | 0 | 3 | 4.7 | O=C(c1cc(C2CC2)on1)N(C1CCCCCC1)C1CCCC1 | 10.1016/j.bmcl.2013.09.075 | |||
CHEMBL1976353 | 78823 | 0 | None | - | 0 | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 316 | 4 | 0 | 3 | 4.7 | O=C(c1cc(C2CC2)on1)N(C1CCCCCC1)C1CCCC1 | 10.1016/j.bmcl.2013.09.075 | |||
67172039 | 155769 | 0 | None | - | 0 | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 484 | 6 | 1 | 4 | 5.8 | CC(C)Cc1ccc(-c2onc3c2CCc2cc(CN4CC(C(=O)O)C4)ccc2-3)cc1C(F)(F)F | 10.1021/acs.jmedchem.6b01099 | |||
CHEMBL3942289 | 155769 | 0 | None | - | 0 | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 484 | 6 | 1 | 4 | 5.8 | CC(C)Cc1ccc(-c2onc3c2CCc2cc(CN4CC(C(=O)O)C4)ccc2-3)cc1C(F)(F)F | 10.1021/acs.jmedchem.6b01099 | |||
25110501 | 78950 | 0 | None | - | 0 | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 332 | 4 | 0 | 4 | 3.8 | CC1CCCCC1N(C(=O)c1cc(C2CC2)on1)C1CCOCC1 | 10.1016/j.bmcl.2013.09.075 | |||
CHEMBL1979798 | 78950 | 0 | None | - | 0 | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 332 | 4 | 0 | 4 | 3.8 | CC1CCCCC1N(C(=O)c1cc(C2CC2)on1)C1CCOCC1 | 10.1016/j.bmcl.2013.09.075 | |||
46835914 | 146237 | 0 | None | - | 0 | Human | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | 471 | 6 | 1 | 8 | 4.0 | O=C(O)C1CN(Cc2ccc(-c3noc(-c4onc(-c5ccccn5)c4C(F)(F)F)n3)cc2)C1 | 10.1016/j.bmcl.2016.03.105 | |||
CHEMBL3794145 | 146237 | 0 | None | - | 0 | Human | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | 471 | 6 | 1 | 8 | 4.0 | O=C(O)C1CN(Cc2ccc(-c3noc(-c4onc(-c5ccccn5)c4C(F)(F)F)n3)cc2)C1 | 10.1016/j.bmcl.2016.03.105 | |||
107970 | 8420 | 83 | None | - | 0 | Human | 8.5 | pEC50 | = | 8.5 | Binding | ChEMBL | 307 | 12 | 3 | 3 | 3.2 | CCCCCCCCc1ccc(cc1)CCC(CO)(CO)N | 10.1016/j.bmcl.2013.09.058 | |||
2407 | 8420 | 83 | None | - | 0 | Human | 8.5 | pEC50 | = | 8.5 | Binding | ChEMBL | 307 | 12 | 3 | 3 | 3.2 | CCCCCCCCc1ccc(cc1)CCC(CO)(CO)N | 10.1016/j.bmcl.2013.09.058 | |||
4167 | 8420 | 83 | None | - | 0 | Human | 8.5 | pEC50 | = | 8.5 | Binding | ChEMBL | 307 | 12 | 3 | 3 | 3.2 | CCCCCCCCc1ccc(cc1)CCC(CO)(CO)N | 10.1016/j.bmcl.2013.09.058 | |||
CHEMBL314854 | 8420 | 83 | None | - | 0 | Human | 8.5 | pEC50 | = | 8.5 | Binding | ChEMBL | 307 | 12 | 3 | 3 | 3.2 | CCCCCCCCc1ccc(cc1)CCC(CO)(CO)N | 10.1016/j.bmcl.2013.09.058 | |||
DB08868 | 8420 | 83 | None | - | 0 | Human | 8.5 | pEC50 | = | 8.5 | Binding | ChEMBL | 307 | 12 | 3 | 3 | 3.2 | CCCCCCCCc1ccc(cc1)CCC(CO)(CO)N | 10.1016/j.bmcl.2013.09.058 | |||
67171285 | 190080 | 0 | None | - | 0 | Human | 4.5 | pEC50 | = | 4.5 | Binding | ChEMBL | 481 | 5 | 1 | 6 | 5.1 | O=C(O)C1CN(Cc2ccc3c(c2)Cc2c-3noc2-c2noc(-c3ccccc3)c2C(F)(F)F)C1 | 10.1021/acs.jmedchem.6b01099 | |||
CHEMBL4797042 | 190080 | 0 | None | - | 0 | Human | 4.5 | pEC50 | = | 4.5 | Binding | ChEMBL | 481 | 5 | 1 | 6 | 5.1 | O=C(O)C1CN(Cc2ccc3c(c2)Cc2c-3noc2-c2noc(-c3ccccc3)c2C(F)(F)F)C1 | 10.1021/acs.jmedchem.6b01099 | |||
25110484 | 79114 | 0 | None | - | 0 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 382 | 5 | 0 | 4 | 5.5 | COc1ccc(-c2cc(C(=O)N(C3CCCCC3)C3CCCCC3)no2)cc1 | 10.1016/j.bmcl.2013.09.075 | |||
CHEMBL1984536 | 79114 | 0 | None | - | 0 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 382 | 5 | 0 | 4 | 5.5 | COc1ccc(-c2cc(C(=O)N(C3CCCCC3)C3CCCCC3)no2)cc1 | 10.1016/j.bmcl.2013.09.075 | |||
11682677 | 18554 | 0 | None | - | 0 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 395 | 12 | 4 | 4 | 4.1 | CCCCCCCCc1ccc(-c2c[nH]c([C@@H](N)COP(=O)(O)O)n2)cc1 | 10.1016/j.bmcl.2005.05.097 | |||
CHEMBL1181748 | 18554 | 0 | None | - | 0 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 395 | 12 | 4 | 4 | 4.1 | CCCCCCCCc1ccc(-c2c[nH]c([C@@H](N)COP(=O)(O)O)n2)cc1 | 10.1016/j.bmcl.2005.05.097 | |||
CHEMBL190865 | 18554 | 0 | None | - | 0 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 395 | 12 | 4 | 4 | 4.1 | CCCCCCCCc1ccc(-c2c[nH]c([C@@H](N)COP(=O)(O)O)n2)cc1 | 10.1016/j.bmcl.2005.05.097 | |||
25110498 | 79700 | 0 | None | - | 0 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 330 | 4 | 0 | 3 | 4.9 | CC1CCCCC1N(C(=O)c1cc(C2CC2)on1)C1CCCCC1 | 10.1016/j.bmcl.2013.09.075 | |||
CHEMBL2004782 | 79700 | 0 | None | - | 0 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 330 | 4 | 0 | 3 | 4.9 | CC1CCCCC1N(C(=O)c1cc(C2CC2)on1)C1CCCCC1 | 10.1016/j.bmcl.2013.09.075 | |||
56955982 | 110523 | 0 | None | - | 0 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 344 | 4 | 0 | 3 | 5.4 | O=C(c1cc(C2CCCC2)on1)N(C1CCCCC1)C1CCCCC1 | 10.1016/j.bmcl.2013.09.075 | |||
CHEMBL3088204 | 110523 | 0 | None | - | 0 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 344 | 4 | 0 | 3 | 5.4 | O=C(c1cc(C2CCCC2)on1)N(C1CCCCC1)C1CCCCC1 | 10.1016/j.bmcl.2013.09.075 | |||
25110494 | 78796 | 0 | None | - | 0 | Human | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | 330 | 5 | 0 | 3 | 4.9 | O=C(c1cc(C2CC2)on1)N(CC1CCCCC1)C1CCCCC1 | 10.1016/j.bmcl.2013.09.075 | |||
CHEMBL1975200 | 78796 | 0 | None | - | 0 | Human | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | 330 | 5 | 0 | 3 | 4.9 | O=C(c1cc(C2CC2)on1)N(CC1CCCCC1)C1CCCCC1 | 10.1016/j.bmcl.2013.09.075 | |||
25110500 | 78577 | 0 | None | - | 0 | Human | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | 318 | 4 | 0 | 4 | 3.5 | O=C(c1cc(C2CC2)on1)N(C1CCCCC1)C1CCOCC1 | 10.1016/j.bmcl.2013.09.075 | |||
CHEMBL1967913 | 78577 | 0 | None | - | 0 | Human | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | 318 | 4 | 0 | 4 | 3.5 | O=C(c1cc(C2CC2)on1)N(C1CCCCC1)C1CCOCC1 | 10.1016/j.bmcl.2013.09.075 | |||
156016628 | 184470 | 0 | None | - | 0 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 446 | 10 | 4 | 6 | 3.3 | CCc1nc(-c2ccc(-c3ccc(CC[C@](N)(CO)COP(=O)(O)O)cc3)cc2)co1 | 10.1016/j.bmcl.2020.127141 | |||
CHEMBL4641924 | 184470 | 0 | None | - | 0 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 446 | 10 | 4 | 6 | 3.3 | CCc1nc(-c2ccc(-c3ccc(CC[C@](N)(CO)COP(=O)(O)O)cc3)cc2)co1 | 10.1016/j.bmcl.2020.127141 | |||
118717778 | 121950 | 0 | None | - | 0 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 525 | 7 | 2 | 8 | 3.3 | N[C@@H](CO)COc1cc(Cl)c(-c2nnc(N3CCN(C(=O)c4cccc(Cl)c4)CC3)s2)cc1F | 10.1016/j.bmcl.2014.09.003 | |||
CHEMBL3344420 | 121950 | 0 | None | - | 0 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 525 | 7 | 2 | 8 | 3.3 | N[C@@H](CO)COc1cc(Cl)c(-c2nnc(N3CCN(C(=O)c4cccc(Cl)c4)CC3)s2)cc1F | 10.1016/j.bmcl.2014.09.003 | |||
76336361 | 112535 | 1 | None | - | 0 | Human | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 454 | 10 | 3 | 8 | 2.6 | CCc1cc(-c2noc(-c3ccnc(C(C)C)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1021/ml500484v | |||
CHEMBL3126603 | 112535 | 1 | None | - | 0 | Human | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 454 | 10 | 3 | 8 | 2.6 | CCc1cc(-c2noc(-c3ccnc(C(C)C)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1021/ml500484v | |||
118717777 | 121949 | 0 | None | - | 0 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 483 | 7 | 2 | 8 | 2.5 | N[C@@H](CO)COc1cc(Cl)c(-c2nnc(N3CCN(C(=O)C4CCCC4)CC3)s2)cc1F | 10.1016/j.bmcl.2014.09.003 | |||
CHEMBL3344419 | 121949 | 0 | None | - | 0 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 483 | 7 | 2 | 8 | 2.5 | N[C@@H](CO)COc1cc(Cl)c(-c2nnc(N3CCN(C(=O)C4CCCC4)CC3)s2)cc1F | 10.1016/j.bmcl.2014.09.003 | |||
5309153 | 44272 | 10 | None | - | 0 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 318 | 5 | 0 | 3 | 4.7 | CCCc1cc(C(=O)N(C2CCCCC2)C2CCCCC2)no1 | 10.1016/j.bmcl.2013.09.075 | |||
CHEMBL1455786 | 44272 | 10 | None | - | 0 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 318 | 5 | 0 | 3 | 4.7 | CCCc1cc(C(=O)N(C2CCCCC2)C2CCCCC2)no1 | 10.1016/j.bmcl.2013.09.075 | |||
53235481 | 157921 | 0 | None | - | 0 | Human | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 495 | 5 | 1 | 6 | 5.3 | O=C(O)C1CN(Cc2ccc3c(c2)CCc2c-3noc2-c2onc(-c3ccccc3)c2C(F)(F)F)C1 | 10.1021/acs.jmedchem.6b01099 | |||
CHEMBL3959509 | 157921 | 0 | None | - | 0 | Human | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 495 | 5 | 1 | 6 | 5.3 | O=C(O)C1CN(Cc2ccc3c(c2)CCc2c-3noc2-c2onc(-c3ccccc3)c2C(F)(F)F)C1 | 10.1021/acs.jmedchem.6b01099 | |||
67170089 | 186826 | 0 | None | - | 0 | Human | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 495 | 5 | 1 | 6 | 5.3 | O=C(O)C1CN(Cc2ccc3c(c2)CCc2c(-c4onc(-c5ccccc5)c4C(F)(F)F)noc2-3)C1 | 10.1021/acs.jmedchem.6b01099 | |||
CHEMBL4747682 | 186826 | 0 | None | - | 0 | Human | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 495 | 5 | 1 | 6 | 5.3 | O=C(O)C1CN(Cc2ccc3c(c2)CCc2c(-c4onc(-c5ccccc5)c4C(F)(F)F)noc2-3)C1 | 10.1021/acs.jmedchem.6b01099 | |||
118717764 | 121935 | 0 | None | - | 0 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 481 | 7 | 2 | 8 | 2.3 | CC1(C)CC(C(=O)N2CCN(c3noc(-c4cc(F)c(OC[C@@H](N)CO)cc4Cl)n3)CC2)C1 | 10.1016/j.bmcl.2014.09.003 | |||
CHEMBL3344405 | 121935 | 0 | None | - | 0 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 481 | 7 | 2 | 8 | 2.3 | CC1(C)CC(C(=O)N2CCN(c3noc(-c4cc(F)c(OC[C@@H](N)CO)cc4Cl)n3)CC2)C1 | 10.1016/j.bmcl.2014.09.003 | |||
44342175 | 92295 | 0 | None | -10 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 372 | 12 | 4 | 4 | 3.0 | CCCCCCCCc1ccc(NC(=O)[C@H](N)COP(=O)(O)O)cc1 | 10.1016/s0960-894x(03)00812-6 | |||
CHEMBL227371 | 92295 | 0 | None | -10 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 372 | 12 | 4 | 4 | 3.0 | CCCCCCCCc1ccc(NC(=O)[C@H](N)COP(=O)(O)O)cc1 | 10.1016/s0960-894x(03)00812-6 | |||
CHEMBL422074 | 92295 | 0 | None | -10 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 372 | 12 | 4 | 4 | 3.0 | CCCCCCCCc1ccc(NC(=O)[C@H](N)COP(=O)(O)O)cc1 | 10.1016/s0960-894x(03)00812-6 | |||
67167161 | 188975 | 0 | None | - | 0 | Human | 5.3 | pEC50 | = | 5.3 | Binding | ChEMBL | 511 | 5 | 1 | 6 | 5.8 | O=C(O)C1CN(Cc2ccc3c(c2)CCc2c-3noc2-c2snc(-c3ccccc3)c2C(F)(F)F)C1 | 10.1021/acs.jmedchem.6b01099 | |||
CHEMBL4782854 | 188975 | 0 | None | - | 0 | Human | 5.3 | pEC50 | = | 5.3 | Binding | ChEMBL | 511 | 5 | 1 | 6 | 5.8 | O=C(O)C1CN(Cc2ccc3c(c2)CCc2c-3noc2-c2snc(-c3ccccc3)c2C(F)(F)F)C1 | 10.1021/acs.jmedchem.6b01099 | |||
118717771 | 121943 | 0 | None | - | 0 | Human | 5.3 | pEC50 | = | 5.3 | Binding | ChEMBL | 509 | 7 | 2 | 8 | 2.5 | CC(C)(C(=O)N1CCN(c2noc(-c3cc(F)c(OC[C@@H](N)CO)cc3Cl)n2)CC1)C(F)(F)F | 10.1016/j.bmcl.2014.09.003 | |||
CHEMBL3344413 | 121943 | 0 | None | - | 0 | Human | 5.3 | pEC50 | = | 5.3 | Binding | ChEMBL | 509 | 7 | 2 | 8 | 2.5 | CC(C)(C(=O)N1CCN(c2noc(-c3cc(F)c(OC[C@@H](N)CO)cc3Cl)n2)CC1)C(F)(F)F | 10.1016/j.bmcl.2014.09.003 | |||
76311231 | 112855 | 0 | None | - | 0 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 460 | 11 | 4 | 6 | 3.7 | CCCc1nc(-c2ccc(-c3ccc(CCC(N)(CO)COP(=O)(O)O)cc3)cc2)co1 | 10.1016/j.bmc.2016.03.059 | |||
CHEMBL3133603 | 112855 | 0 | None | - | 0 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 460 | 11 | 4 | 6 | 3.7 | CCCc1nc(-c2ccc(-c3ccc(CCC(N)(CO)COP(=O)(O)O)cc3)cc2)co1 | 10.1016/j.bmc.2016.03.059 | |||
CHEMBL3780292 | 112855 | 0 | None | - | 0 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 460 | 11 | 4 | 6 | 3.7 | CCCc1nc(-c2ccc(-c3ccc(CCC(N)(CO)COP(=O)(O)O)cc3)cc2)co1 | 10.1016/j.bmc.2016.03.059 | |||
11452022 | 10368 | 39 | None | - | 0 | Human | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CC[C@@](COP(=O)(O)O)(CO)N | 10.1021/acs.jmedchem.5b01512 | |||
6996 | 10368 | 39 | None | - | 0 | Human | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CC[C@@](COP(=O)(O)O)(CO)N | 10.1021/acs.jmedchem.5b01512 | |||
CHEMBL366208 | 10368 | 39 | None | - | 0 | Human | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CC[C@@](COP(=O)(O)O)(CO)N | 10.1021/acs.jmedchem.5b01512 | |||
44392705 | 73440 | 0 | None | - | 0 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 380 | 17 | 4 | 4 | 3.2 | CCCCCCCCCCCCCCNC(=O)[C@H](N)COP(=O)(O)O | 10.1016/s0960-894x(03)00812-6 | |||
9821227 | 73440 | 0 | None | - | 0 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 380 | 17 | 4 | 4 | 3.2 | CCCCCCCCCCCCCCNC(=O)[C@H](N)COP(=O)(O)O | 10.1016/s0960-894x(03)00812-6 | |||
CHEMBL185389 | 73440 | 0 | None | - | 0 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 380 | 17 | 4 | 4 | 3.2 | CCCCCCCCCCCCCCNC(=O)[C@H](N)COP(=O)(O)O | 10.1016/s0960-894x(03)00812-6 | |||
CHEMBL332472 | 73440 | 0 | None | - | 0 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 380 | 17 | 4 | 4 | 3.2 | CCCCCCCCCCCCCCNC(=O)[C@H](N)COP(=O)(O)O | 10.1016/s0960-894x(03)00812-6 | |||
127031187 | 145660 | 0 | None | - | 0 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 446 | 10 | 4 | 6 | 3.3 | CCc1nc(-c2ccc(-c3ccc(CCC(N)(CO)COP(=O)(O)O)cc3)cc2)co1 | 10.1016/j.bmcl.2020.127141 | |||
CHEMBL3781008 | 145660 | 0 | None | - | 0 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 446 | 10 | 4 | 6 | 3.3 | CCc1nc(-c2ccc(-c3ccc(CCC(N)(CO)COP(=O)(O)O)cc3)cc2)co1 | 10.1016/j.bmcl.2020.127141 | |||
CHEMBL3782062 | 145660 | 0 | None | - | 0 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 446 | 10 | 4 | 6 | 3.3 | CCc1nc(-c2ccc(-c3ccc(CCC(N)(CO)COP(=O)(O)O)cc3)cc2)co1 | 10.1016/j.bmcl.2020.127141 | |||
25110499 | 78472 | 0 | None | - | 0 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 344 | 4 | 0 | 3 | 5.3 | CC1CCCCC1N(C(=O)c1cc(C2CC2)on1)C1CCCCCC1 | 10.1016/j.bmcl.2013.09.075 | |||
CHEMBL1965004 | 78472 | 0 | None | - | 0 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 344 | 4 | 0 | 3 | 5.3 | CC1CCCCC1N(C(=O)c1cc(C2CC2)on1)C1CCCCCC1 | 10.1016/j.bmcl.2013.09.075 | |||
56955980 | 110522 | 0 | None | - | 0 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 358 | 4 | 0 | 3 | 5.8 | O=C(c1cc(C2CCCCC2)on1)N(C1CCCCC1)C1CCCCC1 | 10.1016/j.bmcl.2013.09.075 | |||
CHEMBL3088203 | 110522 | 0 | None | - | 0 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 358 | 4 | 0 | 3 | 5.8 | O=C(c1cc(C2CCCCC2)on1)N(C1CCCCC1)C1CCCCC1 | 10.1016/j.bmcl.2013.09.075 | |||
44342246 | 18184 | 0 | None | - | 0 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 396 | 18 | 4 | 5 | 3.2 | CCCCCCCCCCCCCCONC(=O)[C@@H](N)COP(=O)(O)O | 10.1016/s0960-894x(03)00812-6 | |||
CHEMBL115505 | 18184 | 0 | None | - | 0 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 396 | 18 | 4 | 5 | 3.2 | CCCCCCCCCCCCCCONC(=O)[C@@H](N)COP(=O)(O)O | 10.1016/s0960-894x(03)00812-6 | |||
CHEMBL1180159 | 18184 | 0 | None | - | 0 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 396 | 18 | 4 | 5 | 3.2 | CCCCCCCCCCCCCCONC(=O)[C@@H](N)COP(=O)(O)O | 10.1016/s0960-894x(03)00812-6 | |||
162656217 | 187746 | 0 | None | - | 0 | Human | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 561 | 7 | 2 | 8 | 4.0 | CS(=O)(=O)CCNC(=O)C(O)c1ccc2c(c1)CCc1c(-c3noc(-c4ccccc4)c3C(F)(F)F)noc1-2 | 10.1021/acs.jmedchem.6b01099 | |||
CHEMBL4758481 | 187746 | 0 | None | - | 0 | Human | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 561 | 7 | 2 | 8 | 4.0 | CS(=O)(=O)CCNC(=O)C(O)c1ccc2c(c1)CCc1c(-c3noc(-c4ccccc4)c3C(F)(F)F)noc1-2 | 10.1021/acs.jmedchem.6b01099 | |||
46847148 | 146156 | 0 | None | - | 0 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 445 | 8 | 1 | 8 | 3.9 | CCCc1c(-c2ccccn2)noc1-c1nc(-c2ccc(CN3CC(C(=O)O)C3)cc2)no1 | 10.1016/j.bmcl.2016.03.105 | |||
CHEMBL3793145 | 146156 | 0 | None | - | 0 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 445 | 8 | 1 | 8 | 3.9 | CCCc1c(-c2ccccn2)noc1-c1nc(-c2ccc(CN3CC(C(=O)O)C3)cc2)no1 | 10.1016/j.bmcl.2016.03.105 | |||
44398076 | 19672 | 0 | None | - | 0 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 425 | 13 | 5 | 5 | 3.2 | CCCCCCCCc1ccc(-c2c[nH]c(C(N)(CO)COP(=O)(O)O)n2)cc1 | 10.1016/j.bmcl.2005.05.097 | |||
CHEMBL1188968 | 19672 | 0 | None | - | 0 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 425 | 13 | 5 | 5 | 3.2 | CCCCCCCCc1ccc(-c2c[nH]c(C(N)(CO)COP(=O)(O)O)n2)cc1 | 10.1016/j.bmcl.2005.05.097 | |||
CHEMBL537849 | 19672 | 0 | None | - | 0 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 425 | 13 | 5 | 5 | 3.2 | CCCCCCCCc1ccc(-c2c[nH]c(C(N)(CO)COP(=O)(O)O)n2)cc1 | 10.1016/j.bmcl.2005.05.097 | |||
25110212 | 110521 | 0 | None | - | 0 | Human | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 319 | 5 | 0 | 4 | 3.8 | O=C(c1cc(C2CC2)on1)N(Cc1ccccc1)c1ccccn1 | 10.1016/j.bmcl.2013.09.075 | |||
CHEMBL3088201 | 110521 | 0 | None | - | 0 | Human | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 319 | 5 | 0 | 4 | 3.8 | O=C(c1cc(C2CC2)on1)N(Cc1ccccc1)c1ccccn1 | 10.1016/j.bmcl.2013.09.075 | |||
3245758 | 34404 | 7 | None | - | 0 | Human | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 290 | 3 | 0 | 3 | 4.1 | Cc1cc(C(=O)N(C2CCCCC2)C2CCCCC2)no1 | 10.1016/j.bmcl.2013.09.075 | |||
CHEMBL1369793 | 34404 | 7 | None | - | 0 | Human | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 290 | 3 | 0 | 3 | 4.1 | Cc1cc(C(=O)N(C2CCCCC2)C2CCCCC2)no1 | 10.1016/j.bmcl.2013.09.075 | |||
44398170 | 18544 | 0 | None | - | 0 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 411 | 12 | 4 | 4 | 4.2 | CCCCCCCCc1ccc(-c2c[nH]c([C@@H](N)COP(O)(O)=S)n2)cc1 | 10.1016/j.bmcl.2005.05.097 | |||
CHEMBL1181688 | 18544 | 0 | None | - | 0 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 411 | 12 | 4 | 4 | 4.2 | CCCCCCCCc1ccc(-c2c[nH]c([C@@H](N)COP(O)(O)=S)n2)cc1 | 10.1016/j.bmcl.2005.05.097 | |||
CHEMBL188826 | 18544 | 0 | None | - | 0 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 411 | 12 | 4 | 4 | 4.2 | CCCCCCCCc1ccc(-c2c[nH]c([C@@H](N)COP(O)(O)=S)n2)cc1 | 10.1016/j.bmcl.2005.05.097 | |||
76329075 | 112536 | 0 | None | - | 0 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 468 | 12 | 3 | 8 | 2.9 | CCCCc1cc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)ccn1 | 10.1021/ml500484v | |||
CHEMBL3126604 | 112536 | 0 | None | - | 0 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 468 | 12 | 3 | 8 | 2.9 | CCCCc1cc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)ccn1 | 10.1021/ml500484v | |||
25110210 | 110465 | 0 | None | - | 0 | Human | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 318 | 5 | 0 | 3 | 4.4 | O=C(c1cc(C2CC2)on1)N(Cc1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2013.09.075 | |||
CHEMBL3087666 | 110465 | 0 | None | - | 0 | Human | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 318 | 5 | 0 | 3 | 4.4 | O=C(c1cc(C2CC2)on1)N(Cc1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2013.09.075 | |||
156013851 | 183974 | 0 | None | - | 0 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 446 | 10 | 4 | 6 | 3.3 | CCc1nc(-c2ccc(-c3ccc(CC[C@@](N)(CO)COP(=O)(O)O)cc3)cc2)co1 | 10.1016/j.bmcl.2020.127141 | |||
CHEMBL4635110 | 183974 | 0 | None | - | 0 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 446 | 10 | 4 | 6 | 3.3 | CCc1nc(-c2ccc(-c3ccc(CC[C@@](N)(CO)COP(=O)(O)O)cc3)cc2)co1 | 10.1016/j.bmcl.2020.127141 | |||
76325522 | 112511 | 0 | None | - | 0 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 480 | 10 | 3 | 8 | 3.2 | CCc1cc(-c2noc(-c3ccnc(C4CCCC4)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1021/ml500484v | |||
CHEMBL3126433 | 112511 | 0 | None | - | 0 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 480 | 10 | 3 | 8 | 3.2 | CCc1cc(-c2noc(-c3ccnc(C4CCCC4)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1021/ml500484v | |||
44342331 | 18188 | 0 | None | - | 0 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 428 | 16 | 4 | 4 | 4.5 | CCCCCCCCCCCCc1ccc(NC(=O)[C@H](N)COP(=O)(O)O)cc1 | 10.1016/s0960-894x(03)00812-6 | |||
CHEMBL116953 | 18188 | 0 | None | - | 0 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 428 | 16 | 4 | 4 | 4.5 | CCCCCCCCCCCCc1ccc(NC(=O)[C@H](N)COP(=O)(O)O)cc1 | 10.1016/s0960-894x(03)00812-6 | |||
CHEMBL1180214 | 18188 | 0 | None | - | 0 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 428 | 16 | 4 | 4 | 4.5 | CCCCCCCCCCCCc1ccc(NC(=O)[C@H](N)COP(=O)(O)O)cc1 | 10.1016/s0960-894x(03)00812-6 | |||
162671724 | 189742 | 0 | None | - | 0 | Human | 5.1 | pEC50 | = | 5.1 | Binding | ChEMBL | 567 | 7 | 2 | 7 | 6.0 | O=C(O)C[C@H]1CCCN(CC(O)c2ccc3c(c2)CCc2c(-c4noc(-c5ccccc5)c4C(F)(F)F)noc2-3)C1 | 10.1021/acs.jmedchem.6b01099 | |||
CHEMBL4792990 | 189742 | 0 | None | - | 0 | Human | 5.1 | pEC50 | = | 5.1 | Binding | ChEMBL | 567 | 7 | 2 | 7 | 6.0 | O=C(O)C[C@H]1CCCN(CC(O)c2ccc3c(c2)CCc2c(-c4noc(-c5ccccc5)c4C(F)(F)F)noc2-3)C1 | 10.1021/acs.jmedchem.6b01099 | |||
76325532 | 112537 | 0 | None | - | 0 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 468 | 11 | 3 | 8 | 2.7 | CCc1cc(-c2noc(-c3ccnc(CC(C)C)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1021/ml500484v | |||
CHEMBL3126605 | 112537 | 0 | None | - | 0 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 468 | 11 | 3 | 8 | 2.7 | CCc1cc(-c2noc(-c3ccnc(CC(C)C)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO | 10.1021/ml500484v | |||
11675907 | 18548 | 0 | None | - | 0 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 409 | 12 | 4 | 4 | 4.3 | CCCCCCCCc1ccc(-c2c[nH]c(C(C)(N)COP(=O)(O)O)n2)cc1 | 10.1016/j.bmcl.2005.05.097 | |||
CHEMBL1181694 | 18548 | 0 | None | - | 0 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 409 | 12 | 4 | 4 | 4.3 | CCCCCCCCc1ccc(-c2c[nH]c(C(C)(N)COP(=O)(O)O)n2)cc1 | 10.1016/j.bmcl.2005.05.097 | |||
CHEMBL188881 | 18548 | 0 | None | - | 0 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 409 | 12 | 4 | 4 | 4.3 | CCCCCCCCc1ccc(-c2c[nH]c(C(C)(N)COP(=O)(O)O)n2)cc1 | 10.1016/j.bmcl.2005.05.097 | |||
10883396 | 10421 | 45 | None | -1 | 4 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 10.1016/j.bmcl.2015.11.090 | |||
5283560 | 10421 | 45 | None | -1 | 4 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 10.1016/j.bmcl.2015.11.090 | |||
911 | 10421 | 45 | None | -1 | 4 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 10.1016/j.bmcl.2015.11.090 | |||
CHEMBL225155 | 10421 | 45 | None | -1 | 4 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 10.1016/j.bmcl.2015.11.090 | |||
44398049 | 19950 | 0 | None | - | 0 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 441 | 13 | 5 | 5 | 3.4 | CCCCCCCCc1ccc(-c2c[nH]c(C(N)(CO)COP(O)(O)=S)n2)cc1 | 10.1016/j.bmcl.2005.05.097 | |||
CHEMBL1190950 | 19950 | 0 | None | - | 0 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 441 | 13 | 5 | 5 | 3.4 | CCCCCCCCc1ccc(-c2c[nH]c(C(N)(CO)COP(O)(O)=S)n2)cc1 | 10.1016/j.bmcl.2005.05.097 | |||
CHEMBL541890 | 19950 | 0 | None | - | 0 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 441 | 13 | 5 | 5 | 3.4 | CCCCCCCCc1ccc(-c2c[nH]c(C(N)(CO)COP(O)(O)=S)n2)cc1 | 10.1016/j.bmcl.2005.05.097 | |||
162652005 | 187080 | 0 | None | - | 0 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 361 | 12 | 3 | 3 | 4.2 | CCCCCCCCC1CCc2cc(CCC(N)(CO)CO)ccc2C1 | 10.1021/acs.jmedchem.6b01433 | |||
CHEMBL4750944 | 187080 | 0 | None | - | 0 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 361 | 12 | 3 | 3 | 4.2 | CCCCCCCCC1CCc2cc(CCC(N)(CO)CO)ccc2C1 | 10.1021/acs.jmedchem.6b01433 | |||
25110489 | 78807 | 0 | None | - | 0 | Human | 5.1 | pEC50 | = | 5.1 | Binding | ChEMBL | 304 | 5 | 0 | 3 | 4.3 | CCCc1cc(C(=O)N(C2CCCCC2)C2CCCC2)no1 | 10.1016/j.bmcl.2013.09.075 | |||
CHEMBL1975908 | 78807 | 0 | None | - | 0 | Human | 5.1 | pEC50 | = | 5.1 | Binding | ChEMBL | 304 | 5 | 0 | 3 | 4.3 | CCCc1cc(C(=O)N(C2CCCCC2)C2CCCC2)no1 | 10.1016/j.bmcl.2013.09.075 | |||
10883396 | 10421 | 45 | None | -1 | 4 | Human | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 10.1016/j.bmcl.2005.05.097 | |||
5283560 | 10421 | 45 | None | -1 | 4 | Human | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 10.1016/j.bmcl.2005.05.097 | |||
911 | 10421 | 45 | None | -1 | 4 | Human | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 10.1016/j.bmcl.2005.05.097 | |||
CHEMBL225155 | 10421 | 45 | None | -1 | 4 | Human | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 10.1016/j.bmcl.2005.05.097 | |||
10883396 | 10421 | 45 | None | -1 | 4 | Human | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 10.1016/s0960-894x(03)00812-6 | |||
5283560 | 10421 | 45 | None | -1 | 4 | Human | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 10.1016/s0960-894x(03)00812-6 | |||
911 | 10421 | 45 | None | -1 | 4 | Human | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 10.1016/s0960-894x(03)00812-6 | |||
CHEMBL225155 | 10421 | 45 | None | -1 | 4 | Human | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 10.1016/s0960-894x(03)00812-6 | |||
72546270 | 110524 | 0 | None | - | 0 | Human | 5.1 | pEC50 | = | 5.1 | Binding | ChEMBL | 440 | 8 | 0 | 5 | 6.2 | CCOc1ccc(-c2cc(C(=O)N(C3CCCCC3)C3CCCCC3)no2)cc1OCC | 10.1016/j.bmcl.2013.09.075 | |||
CHEMBL3088205 | 110524 | 0 | None | - | 0 | Human | 5.1 | pEC50 | = | 5.1 | Binding | ChEMBL | 440 | 8 | 0 | 5 | 6.2 | CCOc1ccc(-c2cc(C(=O)N(C3CCCCC3)C3CCCCC3)no2)cc1OCC | 10.1016/j.bmcl.2013.09.075 | |||
46847146 | 146178 | 0 | None | - | 0 | Human | 5.1 | pEC50 | = | 5.1 | Binding | ChEMBL | 445 | 7 | 1 | 8 | 4.1 | CC(C)c1c(-c2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3)no2)noc1-c1ccccn1 | 10.1016/j.bmcl.2016.03.105 | |||
CHEMBL3793394 | 146178 | 0 | None | - | 0 | Human | 5.1 | pEC50 | = | 5.1 | Binding | ChEMBL | 445 | 7 | 1 | 8 | 4.1 | CC(C)c1c(-c2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3)no2)noc1-c1ccccn1 | 10.1016/j.bmcl.2016.03.105 | |||
44342221 | 18865 | 0 | None | - | 0 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 352 | 15 | 4 | 4 | 2.5 | CCCCCCCCCCCCNC(=O)[C@@H](N)COP(=O)(O)O | 10.1016/s0960-894x(03)00812-6 | |||
CHEMBL1183918 | 18865 | 0 | None | - | 0 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 352 | 15 | 4 | 4 | 2.5 | CCCCCCCCCCCCNC(=O)[C@@H](N)COP(=O)(O)O | 10.1016/s0960-894x(03)00812-6 | |||
CHEMBL324358 | 18865 | 0 | None | - | 0 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 352 | 15 | 4 | 4 | 2.5 | CCCCCCCCCCCCNC(=O)[C@@H](N)COP(=O)(O)O | 10.1016/s0960-894x(03)00812-6 | |||
44342244 | 71650 | 3 | None | - | 0 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 380 | 17 | 4 | 4 | 3.2 | CCCCCCCCCCCCCCNC(=O)[C@@H](N)COP(=O)(O)O | 10.1016/s0960-894x(03)00812-6 | |||
CHEMBL182164 | 71650 | 3 | None | - | 0 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 380 | 17 | 4 | 4 | 3.2 | CCCCCCCCCCCCCCNC(=O)[C@@H](N)COP(=O)(O)O | 10.1016/s0960-894x(03)00812-6 | |||
CHEMBL423691 | 71650 | 3 | None | - | 0 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 380 | 17 | 4 | 4 | 3.2 | CCCCCCCCCCCCCCNC(=O)[C@@H](N)COP(=O)(O)O | 10.1016/s0960-894x(03)00812-6 | |||
44342231 | 18872 | 3 | None | - | 0 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 408 | 19 | 4 | 4 | 4.0 | CCCCCCCCCCCCCCCCNC(=O)[C@@H](N)COP(=O)(O)O | 10.1016/s0960-894x(03)00812-6 | |||
CHEMBL1183950 | 18872 | 3 | None | - | 0 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 408 | 19 | 4 | 4 | 4.0 | CCCCCCCCCCCCCCCCNC(=O)[C@@H](N)COP(=O)(O)O | 10.1016/s0960-894x(03)00812-6 | |||
CHEMBL325408 | 18872 | 3 | None | - | 0 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 408 | 19 | 4 | 4 | 4.0 | CCCCCCCCCCCCCCCCNC(=O)[C@@H](N)COP(=O)(O)O | 10.1016/s0960-894x(03)00812-6 | |||
10023913 | 18905 | 0 | None | - | 0 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 400 | 14 | 4 | 4 | 3.7 | CCCCCCCCCCc1ccc(NC(=O)[C@H](N)COP(=O)(O)O)cc1 | 10.1016/s0960-894x(03)00812-6 | |||
CHEMBL1184130 | 18905 | 0 | None | - | 0 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 400 | 14 | 4 | 4 | 3.7 | CCCCCCCCCCc1ccc(NC(=O)[C@H](N)COP(=O)(O)O)cc1 | 10.1016/s0960-894x(03)00812-6 | |||
CHEMBL334038 | 18905 | 0 | None | - | 0 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 400 | 14 | 4 | 4 | 3.7 | CCCCCCCCCCc1ccc(NC(=O)[C@H](N)COP(=O)(O)O)cc1 | 10.1016/s0960-894x(03)00812-6 | |||
67172256 | 187953 | 0 | None | - | 0 | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 495 | 5 | 1 | 6 | 5.3 | O=C(O)C1CN(Cc2ccc3c(c2)CCc2nc(-c4onc(-c5ccccc5)c4C(F)(F)F)oc2-3)C1 | 10.1021/acs.jmedchem.6b01099 | |||
CHEMBL4760972 | 187953 | 0 | None | - | 0 | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 495 | 5 | 1 | 6 | 5.3 | O=C(O)C1CN(Cc2ccc3c(c2)CCc2nc(-c4onc(-c5ccccc5)c4C(F)(F)F)oc2-3)C1 | 10.1021/acs.jmedchem.6b01099 | |||
11452022 | 10368 | 39 | None | - | 0 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CC[C@@](COP(=O)(O)O)(CO)N | 10.1016/j.bmcl.2015.11.090 | |||
6996 | 10368 | 39 | None | - | 0 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CC[C@@](COP(=O)(O)O)(CO)N | 10.1016/j.bmcl.2015.11.090 | |||
CHEMBL366208 | 10368 | 39 | None | - | 0 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CC[C@@](COP(=O)(O)O)(CO)N | 10.1016/j.bmcl.2015.11.090 | |||
118717795 | 121612 | 0 | None | - | 0 | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 547 | 9 | 3 | 9 | 2.2 | N[C@H](COc1cc(Cl)c(-c2nc(N3CCN(C(=O)C4CCCC4)CC3)no2)cc1F)COP(=O)(O)O | 10.1016/j.bmcl.2014.09.003 | |||
CHEMBL3341785 | 121612 | 0 | None | - | 0 | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 547 | 9 | 3 | 9 | 2.2 | N[C@H](COc1cc(Cl)c(-c2nc(N3CCN(C(=O)C4CCCC4)CC3)no2)cc1F)COP(=O)(O)O | 10.1016/j.bmcl.2014.09.003 | |||
17253281 | 78601 | 9 | None | - | 0 | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CC(C)c1cc(C(=O)N(C2CCCCC2)C2CCCCC2)no1 | 10.1016/j.bmcl.2013.09.075 | |||
CHEMBL1968913 | 78601 | 9 | None | - | 0 | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CC(C)c1cc(C(=O)N(C2CCCCC2)C2CCCCC2)no1 | 10.1016/j.bmcl.2013.09.075 | |||
76318195 | 112533 | 0 | None | - | 0 | Human | 5.0 | pEC50 | = | 5 | Binding | ChEMBL | 440 | 10 | 3 | 8 | 2.1 | CCc1cc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)ccn1 | 10.1021/ml500484v | |||
CHEMBL3126601 | 112533 | 0 | None | - | 0 | Human | 5.0 | pEC50 | = | 5 | Binding | ChEMBL | 440 | 10 | 3 | 8 | 2.1 | CCc1cc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)ccn1 | 10.1021/ml500484v | |||
10883396 | 10421 | 45 | None | -1 | 4 | Human | 10.4 | pIC50 | = | 10.4 | Binding | ChEMBL | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 10.1016/j.bmcl.2004.02.106 | |||
5283560 | 10421 | 45 | None | -1 | 4 | Human | 10.4 | pIC50 | = | 10.4 | Binding | ChEMBL | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 10.1016/j.bmcl.2004.02.106 | |||
911 | 10421 | 45 | None | -1 | 4 | Human | 10.4 | pIC50 | = | 10.4 | Binding | ChEMBL | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 10.1016/j.bmcl.2004.02.106 | |||
CHEMBL225155 | 10421 | 45 | None | -1 | 4 | Human | 10.4 | pIC50 | = | 10.4 | Binding | ChEMBL | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 10.1016/j.bmcl.2004.02.106 | |||
10883396 | 10421 | 45 | None | -1 | 4 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 10.1021/jm0492507 | |||
5283560 | 10421 | 45 | None | -1 | 4 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 10.1021/jm0492507 | |||
911 | 10421 | 45 | None | -1 | 4 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 10.1021/jm0492507 | |||
CHEMBL225155 | 10421 | 45 | None | -1 | 4 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 10.1021/jm0492507 | |||
44565597 | 186066 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 436 | 12 | 4 | 5 | 3.2 | C[C@](N)(COP(=O)(O)O)C(=O)Nc1ccc(OCCCCCc2ccccc2)cc1 | 10.1016/j.bmcl.2009.02.073 | |||
CHEMBL473156 | 186066 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 436 | 12 | 4 | 5 | 3.2 | C[C@](N)(COP(=O)(O)O)C(=O)Nc1ccc(OCCCCCc2ccccc2)cc1 | 10.1016/j.bmcl.2009.02.073 | |||
10883396 | 10421 | 45 | None | -1 | 4 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 10.1039/d1md00357g | |||
5283560 | 10421 | 45 | None | -1 | 4 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 10.1039/d1md00357g | |||
911 | 10421 | 45 | None | -1 | 4 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 10.1039/d1md00357g | |||
CHEMBL225155 | 10421 | 45 | None | -1 | 4 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 10.1039/d1md00357g | |||
10883396 | 10421 | 45 | None | -1 | 4 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 10.1016/j.bmcl.2017.12.010 | |||
5283560 | 10421 | 45 | None | -1 | 4 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 10.1016/j.bmcl.2017.12.010 | |||
911 | 10421 | 45 | None | -1 | 4 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 10.1016/j.bmcl.2017.12.010 | |||
CHEMBL225155 | 10421 | 45 | None | -1 | 4 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 10.1016/j.bmcl.2017.12.010 | |||
10883396 | 10421 | 45 | None | -1 | 4 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 10.1016/j.bmcl.2008.11.072 | |||
5283560 | 10421 | 45 | None | -1 | 4 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 10.1016/j.bmcl.2008.11.072 | |||
911 | 10421 | 45 | None | -1 | 4 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 10.1016/j.bmcl.2008.11.072 | |||
CHEMBL225155 | 10421 | 45 | None | -1 | 4 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 10.1016/j.bmcl.2008.11.072 | |||
10150171 | 174788 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 357 | 13 | 3 | 3 | 4.0 | CCCCCCCCc1ccc(CCC(N)COP(=O)(O)O)cc1 | 10.1021/acs.jmedchem.6b01575 | |||
CHEMBL432067 | 174788 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 357 | 13 | 3 | 3 | 4.0 | CCCCCCCCc1ccc(CCC(N)COP(=O)(O)O)cc1 | 10.1021/acs.jmedchem.6b01575 | |||
10150171 | 174788 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 357 | 13 | 3 | 3 | 4.0 | CCCCCCCCc1ccc(CCC(N)COP(=O)(O)O)cc1 | 10.1016/j.bmcl.2004.02.106 | |||
CHEMBL432067 | 174788 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 357 | 13 | 3 | 3 | 4.0 | CCCCCCCCc1ccc(CCC(N)COP(=O)(O)O)cc1 | 10.1016/j.bmcl.2004.02.106 | |||
44159280 | 133709 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 477 | 8 | 1 | 4 | 6.2 | CC(C)Oc1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccn3)c2c1 | nan | |||
CHEMBL3655496 | 133709 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 477 | 8 | 1 | 4 | 6.2 | CC(C)Oc1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccn3)c2c1 | nan | |||
44344390 | 20269 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 355 | 15 | 3 | 2 | 4.5 | O=P(O)(O)CCCNCCCCCCCCCCc1ccccc1 | 10.1016/j.bmcl.2004.04.069 | |||
CHEMBL119349 | 20269 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 355 | 15 | 3 | 2 | 4.5 | O=P(O)(O)CCCNCCCCCCCCCCc1ccccc1 | 10.1016/j.bmcl.2004.04.069 | |||
10883396 | 10421 | 45 | None | -1 | 4 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 10.1016/j.bmcl.2010.02.098 | |||
5283560 | 10421 | 45 | None | -1 | 4 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 10.1016/j.bmcl.2010.02.098 | |||
911 | 10421 | 45 | None | -1 | 4 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 10.1016/j.bmcl.2010.02.098 | |||
CHEMBL225155 | 10421 | 45 | None | -1 | 4 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 10.1016/j.bmcl.2010.02.098 | |||
10172546 | 121221 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 371 | 15 | 3 | 3 | 4.5 | CCCCCCCCCOc1ccc(CNCCCP(=O)(O)O)cc1 | 10.1016/j.bmcl.2004.04.070 | |||
CHEMBL333335 | 121221 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 371 | 15 | 3 | 3 | 4.5 | CCCCCCCCCOc1ccc(CNCCCP(=O)(O)O)cc1 | 10.1016/j.bmcl.2004.04.070 | |||
10193915 | 20957 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 375 | 14 | 3 | 3 | 4.2 | CCCCCCCCOc1ccc(CNCCCP(=O)(O)O)cc1F | 10.1016/j.bmcl.2004.04.070 | |||
CHEMBL119873 | 20957 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 375 | 14 | 3 | 3 | 4.2 | CCCCCCCCOc1ccc(CNCCCP(=O)(O)O)cc1F | 10.1016/j.bmcl.2004.04.070 | |||
25059746 | 133620 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 490 | 9 | 1 | 3 | 7.1 | CC(C)COc1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccc3)c2c1 | nan | |||
CHEMBL3655408 | 133620 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 490 | 9 | 1 | 3 | 7.1 | CC(C)COc1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccc3)c2c1 | nan | |||
10215138 | 20853 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 321 | 15 | 3 | 2 | 4.6 | CCCCCCCCCCCCCC(N)CCP(=O)(O)O | 10.1016/j.bmcl.2004.04.069 | |||
CHEMBL119760 | 20853 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 321 | 15 | 3 | 2 | 4.6 | CCCCCCCCCCCCCC(N)CCP(=O)(O)O | 10.1016/j.bmcl.2004.04.069 | |||
44159280 | 133709 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 477 | 8 | 1 | 4 | 6.2 | CC(C)Oc1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccn3)c2c1 | nan | |||
CHEMBL3655496 | 133709 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 477 | 8 | 1 | 4 | 6.2 | CC(C)Oc1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccn3)c2c1 | nan | |||
59762369 | 133715 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 493 | 8 | 1 | 5 | 6.3 | CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(OC3CCCC3)cc2n1Cc1ncco1 | nan | |||
CHEMBL3655502 | 133715 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 493 | 8 | 1 | 5 | 6.3 | CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(OC3CCCC3)cc2n1Cc1ncco1 | nan | |||
59762343 | 133724 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 512 | 8 | 1 | 5 | 6.6 | CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(Oc3cccnc3)cc2n1Cc1ccccn1 | nan | |||
CHEMBL3655510 | 133724 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 512 | 8 | 1 | 5 | 6.6 | CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(Oc3cccnc3)cc2n1Cc1ccccn1 | nan | |||
44565715 | 187222 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 498 | 12 | 4 | 5 | 4.5 | C[C@](N)(COP(=O)(O)O)C(=O)Nc1ccc(OCCCCc2ccc(-c3ccccc3)cc2)cc1 | 10.1016/j.bmcl.2009.02.073 | |||
CHEMBL475253 | 187222 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 498 | 12 | 4 | 5 | 4.5 | C[C@](N)(COP(=O)(O)O)C(=O)Nc1ccc(OCCCCc2ccc(-c3ccccc3)cc2)cc1 | 10.1016/j.bmcl.2009.02.073 | |||
137651211 | 164104 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 339 | 13 | 2 | 2 | 5.0 | CCCCCCCCc1ccc(CNCCCP(C)(=O)O)cc1 | 10.1021/acs.jmedchem.6b01575 | |||
CHEMBL4077381 | 164104 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 339 | 13 | 2 | 2 | 5.0 | CCCCCCCCc1ccc(CNCCCP(C)(=O)O)cc1 | 10.1021/acs.jmedchem.6b01575 | |||
44565596 | 196325 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 422 | 11 | 4 | 5 | 2.9 | C[C@](N)(COP(=O)(O)O)C(=O)Nc1ccc(OCCCCc2ccccc2)cc1 | 10.1016/j.bmcl.2009.02.073 | |||
CHEMBL514302 | 196325 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 422 | 11 | 4 | 5 | 2.9 | C[C@](N)(COP(=O)(O)O)C(=O)Nc1ccc(OCCCCc2ccccc2)cc1 | 10.1016/j.bmcl.2009.02.073 | |||
11510741 | 196549 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 452 | 12 | 4 | 6 | 2.9 | COc1ccc(CCCCOc2ccc(NC(=O)[C@@](C)(N)COP(=O)(O)O)cc2)cc1 | 10.1016/j.bmcl.2009.02.073 | |||
CHEMBL516035 | 196549 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 452 | 12 | 4 | 6 | 2.9 | COc1ccc(CCCCOc2ccc(NC(=O)[C@@](C)(N)COP(=O)(O)O)cc2)cc1 | 10.1016/j.bmcl.2009.02.073 | |||
44344360 | 17018 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 339 | 14 | 3 | 3 | 4.8 | CCCCCCCCCc1ccc(CNCCCP(O)O)cc1 | 10.1016/j.bmcl.2004.04.069 | |||
CHEMBL1160958 | 17018 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 339 | 14 | 3 | 3 | 4.8 | CCCCCCCCCc1ccc(CNCCCP(O)O)cc1 | 10.1016/j.bmcl.2004.04.069 | |||
44344338 | 20154 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 369 | 15 | 3 | 2 | 4.7 | CCCCCCCc1ccc(CCCCNCCCP(=O)(O)O)cc1 | 10.1016/j.bmcl.2004.04.069 | |||
CHEMBL119257 | 20154 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 369 | 15 | 3 | 2 | 4.7 | CCCCCCCc1ccc(CCCCNCCCP(=O)(O)O)cc1 | 10.1016/j.bmcl.2004.04.069 | |||
10173002 | 174884 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 401 | 15 | 3 | 4 | 4.4 | CCCCCCCCOc1c(C)cc(CNCCCP(=O)(O)O)cc1OC | 10.1016/j.bmcl.2004.04.070 | |||
CHEMBL432813 | 174884 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 401 | 15 | 3 | 4 | 4.4 | CCCCCCCCOc1c(C)cc(CNCCCP(=O)(O)O)cc1OC | 10.1016/j.bmcl.2004.04.070 | |||
10195325 | 91895 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 461 | 7 | 1 | 4 | 5.9 | O=C(O)C1CCN(Cc2ccc(OCc3cc(-c4ccccc4)c(C(F)(F)F)s3)cc2)C1 | 10.1021/jm0492507 | |||
CHEMBL224799 | 91895 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 461 | 7 | 1 | 4 | 5.9 | O=C(O)C1CCN(Cc2ccc(OCc3cc(-c4ccccc4)c(C(F)(F)F)s3)cc2)C1 | 10.1021/jm0492507 | |||
10174255 | 91992 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 485 | 6 | 1 | 6 | 5.7 | O=C(O)C1CN(Cc2ccc(-c3noc(-c4cc(-c5ccccc5)c(C(F)(F)F)s4)n3)cc2)C1 | 10.1021/jm0492507 | |||
CHEMBL225575 | 91992 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 485 | 6 | 1 | 6 | 5.7 | O=C(O)C1CN(Cc2ccc(-c3noc(-c4cc(-c5ccccc5)c(C(F)(F)F)s4)n3)cc2)C1 | 10.1021/jm0492507 | |||
46885744 | 14533 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 548 | 10 | 4 | 5 | 4.5 | C[C@](N)(COP(=O)(O)O)C(=O)Nc1ccc(OCCc2ccc(-c3ccccc3)cc2)c(Br)c1 | 10.1016/j.bmcl.2010.02.098 | |||
CHEMBL1089127 | 14533 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 548 | 10 | 4 | 5 | 4.5 | C[C@](N)(COP(=O)(O)O)C(=O)Nc1ccc(OCCc2ccc(-c3ccccc3)cc2)c(Br)c1 | 10.1016/j.bmcl.2010.02.098 | |||
138377599 | 188218 | 15 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 408 | 5 | 0 | 5 | 5.1 | CCC/N=C1\S/C(=C\c2ccc(OC(C)=O)c(C)c2)C(=O)N1c1ccccc1C | 10.1021/acsmedchemlett.8b00616 | |||
CHEMBL4764124 | 188218 | 15 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 408 | 5 | 0 | 5 | 5.1 | CCC/N=C1\S/C(=C\c2ccc(OC(C)=O)c(C)c2)C(=O)N1c1ccccc1C | 10.1021/acsmedchemlett.8b00616 | |||
44412232 | 173099 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 391 | 6 | 2 | 5 | 4.5 | CC(C)Cc1ccc(-c2nc(-c3ccc([C@@H]4CC[C@@H](C(=O)O)N4)cc3)no2)cc1 | 10.1016/j.bmcl.2006.03.038 | |||
CHEMBL427221 | 173099 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 391 | 6 | 2 | 5 | 4.5 | CC(C)Cc1ccc(-c2nc(-c3ccc([C@@H]4CC[C@@H](C(=O)O)N4)cc3)no2)cc1 | 10.1016/j.bmcl.2006.03.038 | |||
58907658 | 93345 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 350 | 13 | 3 | 4 | 3.6 | CCCCCCCCOc1ccc(NC(=O)[C@@H](N)CCC(=O)O)cc1 | 10.1016/j.bmcl.2012.11.053 | |||
CHEMBL2315815 | 93345 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 350 | 13 | 3 | 4 | 3.6 | CCCCCCCCOc1ccc(NC(=O)[C@@H](N)CCC(=O)O)cc1 | 10.1016/j.bmcl.2012.11.053 | |||
58907531 | 93346 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 364 | 13 | 3 | 4 | 3.9 | CCCCCCCCOc1ccc(NC(=O)[C@@](C)(N)CCC(=O)O)cc1 | 10.1016/j.bmcl.2012.11.053 | |||
CHEMBL2315816 | 93346 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 364 | 13 | 3 | 4 | 3.9 | CCCCCCCCOc1ccc(NC(=O)[C@@](C)(N)CCC(=O)O)cc1 | 10.1016/j.bmcl.2012.11.053 | |||
11501417 | 93347 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 362 | 12 | 3 | 4 | 3.7 | CCCCCCCCOc1ccc(NC(=O)[C@@](C)(N)/C=C/C(=O)O)cc1 | 10.1016/j.bmcl.2012.11.053 | |||
CHEMBL2315817 | 93347 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 362 | 12 | 3 | 4 | 3.7 | CCCCCCCCOc1ccc(NC(=O)[C@@](C)(N)/C=C/C(=O)O)cc1 | 10.1016/j.bmcl.2012.11.053 | |||
11408903 | 91901 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 475 | 7 | 1 | 4 | 6.1 | Cc1cc(CN2CC(C(=O)O)C2)cc(C)c1OCc1cc(-c2ccccc2)c(C(F)(F)F)s1 | 10.1021/jm0492507 | |||
CHEMBL224853 | 91901 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 475 | 7 | 1 | 4 | 6.1 | Cc1cc(CN2CC(C(=O)O)C2)cc(C)c1OCc1cc(-c2ccccc2)c(C(F)(F)F)s1 | 10.1021/jm0492507 | |||
11705484 | 186075 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 470 | 10 | 4 | 5 | 3.7 | C[C@](N)(COP(=O)(O)O)C(=O)Nc1ccc(OCCc2cccc(-c3ccccc3)c2)cc1 | 10.1016/j.bmcl.2009.02.073 | |||
CHEMBL473237 | 186075 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 470 | 10 | 4 | 5 | 3.7 | C[C@](N)(COP(=O)(O)O)C(=O)Nc1ccc(OCCc2cccc(-c3ccccc3)c2)cc1 | 10.1016/j.bmcl.2009.02.073 | |||
44565713 | 187217 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 495 | 10 | 4 | 6 | 3.6 | C[C@](N)(COP(=O)(O)O)C(=O)Nc1ccc(OCCc2ccc(-c3ccccc3C#N)cc2)cc1 | 10.1016/j.bmcl.2009.02.073 | |||
CHEMBL475247 | 187217 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 495 | 10 | 4 | 6 | 3.6 | C[C@](N)(COP(=O)(O)O)C(=O)Nc1ccc(OCCc2ccc(-c3ccccc3C#N)cc2)cc1 | 10.1016/j.bmcl.2009.02.073 | |||
58907649 | 93344 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 336 | 12 | 3 | 4 | 3.2 | CCCCCCCCOc1ccc(NC(=O)[C@@H](N)CC(=O)O)cc1 | 10.1016/j.bmcl.2012.11.053 | |||
CHEMBL2315814 | 93344 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 336 | 12 | 3 | 4 | 3.2 | CCCCCCCCOc1ccc(NC(=O)[C@@H](N)CC(=O)O)cc1 | 10.1016/j.bmcl.2012.11.053 | |||
10287091 | 17373 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 371 | 14 | 4 | 3 | 4.1 | CCCCCCCCC(O)c1ccc(CNCCCP(=O)(O)O)cc1 | 10.1016/j.bmcl.2004.04.070 | |||
CHEMBL117007 | 17373 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 371 | 14 | 4 | 3 | 4.1 | CCCCCCCCC(O)c1ccc(CNCCCP(=O)(O)O)cc1 | 10.1016/j.bmcl.2004.04.070 | |||
10309271 | 20130 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 373 | 14 | 4 | 4 | 3.8 | CCCCCCCCOc1ccc(CNCCCP(=O)(O)O)cc1O | 10.1016/j.bmcl.2004.04.070 | |||
CHEMBL119239 | 20130 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 373 | 14 | 4 | 4 | 3.8 | CCCCCCCCOc1ccc(CNCCCP(=O)(O)O)cc1O | 10.1016/j.bmcl.2004.04.070 | |||
44413349 | 84414 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 453 | 6 | 2 | 5 | 5.4 | O=C(O)C[C@@H]1CN[C@@H](c2ccc(-c3noc(-c4ccc([C@@H]5CCC(F)(F)C5)cc4)n3)cc2)C1 | 10.1016/j.bmcl.2006.03.090 | |||
CHEMBL208838 | 84414 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 453 | 6 | 2 | 5 | 5.4 | O=C(O)C[C@@H]1CN[C@@H](c2ccc(-c3noc(-c4ccc([C@@H]5CCC(F)(F)C5)cc4)n3)cc2)C1 | 10.1016/j.bmcl.2006.03.090 | |||
44217417 | 133208 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 411 | 9 | 3 | 4 | 4.0 | CCc1ccc(-c2ccc(CNCCCP(=O)(O)O)nc2-c2ccncc2)cc1 | nan | |||
CHEMBL3651719 | 133208 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 411 | 9 | 3 | 4 | 4.0 | CCc1ccc(-c2ccc(CNCCCP(=O)(O)O)nc2-c2ccncc2)cc1 | nan | |||
59762441 | 133696 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 518 | 9 | 1 | 5 | 5.7 | CC(C)Oc1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(CN3CCCC3)n(Cc3ccccn3)c2c1 | nan | |||
CHEMBL3655482 | 133696 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 518 | 9 | 1 | 5 | 5.7 | CC(C)Oc1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(CN3CCCC3)n(Cc3ccccn3)c2c1 | nan | |||
59762392 | 133663 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 515 | 7 | 1 | 4 | 6.6 | CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(C3=NCC(C)(C)O3)cc2n1Cc1ccccc1 | nan | |||
CHEMBL3655450 | 133663 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 515 | 7 | 1 | 4 | 6.6 | CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(C3=NCC(C)(C)O3)cc2n1Cc1ccccc1 | nan | |||
25060001 | 133727 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 476 | 7 | 1 | 4 | 5.8 | COC(=O)c1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccc3)c2c1 | nan | |||
CHEMBL3655513 | 133727 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 476 | 7 | 1 | 4 | 5.8 | COC(=O)c1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccc3)c2c1 | nan | |||
59504175 | 133738 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 518 | 9 | 1 | 4 | 6.8 | CC(C)COC(=O)c1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccc3)c2c1 | nan | |||
CHEMBL3655525 | 133738 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 518 | 9 | 1 | 4 | 6.8 | CC(C)COC(=O)c1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccc3)c2c1 | nan | |||
44565621 | 186093 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 428 | 11 | 4 | 6 | 2.9 | C[C@](N)(COP(=O)(O)O)C(=O)Nc1ccc(OCCCCc2cccs2)cc1 | 10.1016/j.bmcl.2009.02.073 | |||
CHEMBL473360 | 186093 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 428 | 11 | 4 | 6 | 2.9 | C[C@](N)(COP(=O)(O)O)C(=O)Nc1ccc(OCCCCc2cccs2)cc1 | 10.1016/j.bmcl.2009.02.073 | |||
59762314 | 133700 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 488 | 7 | 1 | 4 | 6.0 | CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(N3CCCC3)cc2n1Cc1ccccn1 | nan | |||
CHEMBL3655487 | 133700 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 488 | 7 | 1 | 4 | 6.0 | CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(N3CCCC3)cc2n1Cc1ccccn1 | nan | |||
10236683 | 174870 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 319 | 14 | 2 | 2 | 4.9 | CCCCCCCCCc1ccc(CNCCCC(=O)O)cc1 | 10.1016/j.bmcl.2004.04.069 | |||
CHEMBL432632 | 174870 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 319 | 14 | 2 | 2 | 4.9 | CCCCCCCCCc1ccc(CNCCCC(=O)O)cc1 | 10.1016/j.bmcl.2004.04.069 | |||
137638716 | 163753 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 305 | 13 | 2 | 2 | 4.5 | CCCCCCCCc1ccc(CNCCCC(=O)O)cc1 | 10.1021/acs.jmedchem.6b01575 | |||
CHEMBL4072987 | 163753 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 305 | 13 | 2 | 2 | 4.5 | CCCCCCCCc1ccc(CNCCCC(=O)O)cc1 | 10.1021/acs.jmedchem.6b01575 | |||
44233260 | 133747 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 442 | 9 | 1 | 5 | 5.3 | CCCOc1ccc2c(C(=O)NCc3cccnc3)c(C(C)C)n(Cc3ccccn3)c2c1 | nan | |||
CHEMBL3655534 | 133747 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 442 | 9 | 1 | 5 | 5.3 | CCCOc1ccc2c(C(=O)NCc3cccnc3)c(C(C)C)n(Cc3ccccn3)c2c1 | nan | |||
44394117 | 73115 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 389 | 17 | 2 | 2 | 6.1 | CCCCCCCCCCCCCCC1CCCN1CCCP(=O)(O)O | 10.1016/j.bmcl.2004.07.049 | |||
CHEMBL185066 | 73115 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 389 | 17 | 2 | 2 | 6.1 | CCCCCCCCCCCCCCC1CCCN1CCCP(=O)(O)O | 10.1016/j.bmcl.2004.07.049 | |||
10430549 | 7834 | 39 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 391 | 7 | 1 | 5 | 4.1 | CC(Cc1ccc(cc1)c1onc(n1)c1ccc(cc1)CN1CC(C1)C(=O)O)C | 10.1021/jm0503244 | |||
2929 | 7834 | 39 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 391 | 7 | 1 | 5 | 4.1 | CC(Cc1ccc(cc1)c1onc(n1)c1ccc(cc1)CN1CC(C1)C(=O)O)C | 10.1021/jm0503244 | |||
CHEMBL194419 | 7834 | 39 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 391 | 7 | 1 | 5 | 4.1 | CC(Cc1ccc(cc1)c1onc(n1)c1ccc(cc1)CN1CC(C1)C(=O)O)C | 10.1021/jm0503244 | |||
10249887 | 77703 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 391 | 5 | 1 | 5 | 4.2 | CC(C)(C)c1ccc(-c2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3)no2)cc1 | 10.1021/jm0503244 | |||
CHEMBL195141 | 77703 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 391 | 5 | 1 | 5 | 4.2 | CC(C)(C)c1ccc(-c2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3)no2)cc1 | 10.1021/jm0503244 | |||
9979368 | 78481 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 417 | 6 | 1 | 5 | 5.0 | O=C(O)C1CN(Cc2ccc(-c3noc(-c4ccc(C5CCCCC5)cc4)n3)cc2)C1 | 10.1021/jm0503244 | |||
CHEMBL196534 | 78481 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 417 | 6 | 1 | 5 | 5.0 | O=C(O)C1CN(Cc2ccc(-c3noc(-c4ccc(C5CCCCC5)cc4)n3)cc2)C1 | 10.1021/jm0503244 | |||
10430549 | 7834 | 39 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 391 | 7 | 1 | 5 | 4.1 | CC(Cc1ccc(cc1)c1onc(n1)c1ccc(cc1)CN1CC(C1)C(=O)O)C | 10.1016/j.bmcl.2006.03.090 | |||
2929 | 7834 | 39 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 391 | 7 | 1 | 5 | 4.1 | CC(Cc1ccc(cc1)c1onc(n1)c1ccc(cc1)CN1CC(C1)C(=O)O)C | 10.1016/j.bmcl.2006.03.090 | |||
CHEMBL194419 | 7834 | 39 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 391 | 7 | 1 | 5 | 4.1 | CC(Cc1ccc(cc1)c1onc(n1)c1ccc(cc1)CN1CC(C1)C(=O)O)C | 10.1016/j.bmcl.2006.03.090 | |||
44233258 | 133748 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 456 | 9 | 1 | 5 | 5.6 | CC(C)COc1ccc2c(C(=O)NCc3cccnc3)c(C(C)C)n(Cc3ccccn3)c2c1 | nan | |||
CHEMBL3655535 | 133748 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 456 | 9 | 1 | 5 | 5.6 | CC(C)COc1ccc2c(C(=O)NCc3cccnc3)c(C(C)C)n(Cc3ccccn3)c2c1 | nan | |||
10151146 | 19983 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 425 | 14 | 3 | 3 | 5.4 | CCCCCCCCOc1c(Cl)cc(CNCCCP(=O)(O)O)cc1Cl | 10.1016/j.bmcl.2004.04.070 | |||
CHEMBL119116 | 19983 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 425 | 14 | 3 | 3 | 5.4 | CCCCCCCCOc1c(Cl)cc(CNCCCP(=O)(O)O)cc1Cl | 10.1016/j.bmcl.2004.04.070 | |||
44344210 | 20579 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 307 | 15 | 3 | 2 | 4.1 | CCCCCCCCCCCCNCCCP(=O)(O)O | 10.1016/j.bmcl.2004.04.069 | |||
CHEMBL119562 | 20579 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 307 | 15 | 3 | 2 | 4.1 | CCCCCCCCCCCCNCCCP(=O)(O)O | 10.1016/j.bmcl.2004.04.069 | |||
59762430 | 133684 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 486 | 8 | 1 | 5 | 6.0 | CC(C)c1c(C(=O)NCc2cncc(F)c2)c2ccc(OC3CCCC3)cc2n1Cc1ccccn1 | nan | |||
CHEMBL3655470 | 133684 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 486 | 8 | 1 | 5 | 6.0 | CC(C)c1c(C(=O)NCc2cncc(F)c2)c2ccc(OC3CCCC3)cc2n1Cc1ccccn1 | nan | |||
59762388 | 133702 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 487 | 8 | 2 | 3 | 7.0 | CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(NC3CCC3)cc2n1Cc1ccccc1 | nan | |||
CHEMBL3655489 | 133702 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 487 | 8 | 2 | 3 | 7.0 | CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(NC3CCC3)cc2n1Cc1ccccc1 | nan | |||
10216035 | 17807 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 391 | 20 | 3 | 2 | 6.5 | CCCCCCCCCCCCCCCCCCC(N)CCP(=O)(O)O | 10.1016/j.bmcl.2004.04.069 | |||
CHEMBL117569 | 17807 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 391 | 20 | 3 | 2 | 6.5 | CCCCCCCCCCCCCCCCCCC(N)CCP(=O)(O)O | 10.1016/j.bmcl.2004.04.069 | |||
59762287 | 133714 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 504 | 7 | 1 | 5 | 5.3 | CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(N3CCOCC3)cc2n1Cc1ccccn1 | nan | |||
CHEMBL3655501 | 133714 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 504 | 7 | 1 | 5 | 5.3 | CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(N3CCOCC3)cc2n1Cc1ccccn1 | nan | |||
11743459 | 147569 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 431 | 7 | 1 | 5 | 4.4 | O=C(O)C1CN(Cc2ccc(-c3noc(-c4ccc(CCC(F)(F)F)cc4)n3)cc2)C1 | 10.1021/jm0503244 | |||
CHEMBL381872 | 147569 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 431 | 7 | 1 | 5 | 4.4 | O=C(O)C1CN(Cc2ccc(-c3noc(-c4ccc(CCC(F)(F)F)cc4)n3)cc2)C1 | 10.1021/jm0503244 | |||
44234512 | 134195 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 476 | 8 | 1 | 5 | 5.4 | CO/N=C/c1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccn3)c2c1 | nan | |||
CHEMBL3659693 | 134195 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 476 | 8 | 1 | 5 | 5.4 | CO/N=C/c1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccn3)c2c1 | nan | |||
10125861 | 19972 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 335 | 16 | 3 | 2 | 5.0 | CCCCCCCCCCCCCCC(N)CCP(=O)(O)O | 10.1016/j.bmcl.2004.04.069 | |||
CHEMBL119110 | 19972 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 335 | 16 | 3 | 2 | 5.0 | CCCCCCCCCCCCCCC(N)CCP(=O)(O)O | 10.1016/j.bmcl.2004.04.069 | |||
44344412 | 20126 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 355 | 14 | 3 | 2 | 4.3 | CCCCCCCc1ccc(CCCNCCCP(=O)(O)O)cc1 | 10.1016/j.bmcl.2004.04.069 | |||
CHEMBL119233 | 20126 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 355 | 14 | 3 | 2 | 4.3 | CCCCCCCc1ccc(CCCNCCCP(=O)(O)O)cc1 | 10.1016/j.bmcl.2004.04.069 | |||
44232784 | 133630 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 476 | 7 | 1 | 4 | 5.9 | CC(=O)Oc1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccc3)c2c1 | nan | |||
CHEMBL3655418 | 133630 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 476 | 7 | 1 | 4 | 5.9 | CC(=O)Oc1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccc3)c2c1 | nan | |||
44232786 | 133632 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 504 | 8 | 1 | 4 | 6.6 | CC(C)C(=O)Oc1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccc3)c2c1 | nan | |||
CHEMBL3655420 | 133632 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 504 | 8 | 1 | 4 | 6.6 | CC(C)C(=O)Oc1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccc3)c2c1 | nan | |||
10408874 | 79265 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 403 | 6 | 1 | 5 | 4.6 | O=C(O)C1CN(Cc2ccc(-c3noc(-c4ccc(C5CCCC5)cc4)n3)cc2)C1 | 10.1021/jm0503244 | |||
CHEMBL198976 | 79265 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 403 | 6 | 1 | 5 | 4.6 | O=C(O)C1CN(Cc2ccc(-c3noc(-c4ccc(C5CCCC5)cc4)n3)cc2)C1 | 10.1021/jm0503244 | |||
59504166 | 133746 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 489 | 9 | 1 | 4 | 6.4 | CCO/N=C/c1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccc3)c2c1 | nan | |||
CHEMBL3655533 | 133746 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 489 | 9 | 1 | 4 | 6.4 | CCO/N=C/c1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccc3)c2c1 | nan | |||
44233495 | 134180 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 517 | 8 | 1 | 4 | 7.2 | CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(/C=N/OC(C)(C)C)cc2n1Cc1ccccc1 | nan | |||
CHEMBL3659678 | 134180 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 517 | 8 | 1 | 4 | 7.2 | CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(/C=N/OC(C)(C)C)cc2n1Cc1ccccc1 | nan | |||
25060537 | 133732 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 503 | 9 | 2 | 3 | 6.2 | CCCNC(=O)c1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccc3)c2c1 | nan | |||
CHEMBL3655519 | 133732 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 503 | 9 | 2 | 3 | 6.2 | CCCNC(=O)c1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccc3)c2c1 | nan | |||
44233497 | 134182 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 489 | 8 | 1 | 4 | 6.4 | CO/N=C(\C)c1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccc3)c2c1 | nan | |||
CHEMBL3659680 | 134182 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 489 | 8 | 1 | 4 | 6.4 | CO/N=C(\C)c1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccc3)c2c1 | nan | |||
21455530 | 16914 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 363 | 19 | 3 | 2 | 5.6 | CCCCCCCCCCCCCCCCNCCCP(=O)(O)O | 10.1016/j.bmcl.2004.04.069 | |||
CHEMBL115738 | 16914 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 363 | 19 | 3 | 2 | 5.6 | CCCCCCCCCCCCCCCCNCCCP(=O)(O)O | 10.1016/j.bmcl.2004.04.069 | |||
59762339 | 133668 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 479 | 8 | 2 | 5 | 5.1 | CC(C)Oc1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C(C)O)n(Cc3ccccn3)c2c1 | nan | |||
CHEMBL3655455 | 133668 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 479 | 8 | 2 | 5 | 5.1 | CC(C)Oc1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C(C)O)n(Cc3ccccn3)c2c1 | nan | |||
59762277 | 133690 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 477 | 8 | 1 | 4 | 6.2 | CC(C)Oc1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3cccnc3)c2c1 | nan | |||
CHEMBL3655476 | 133690 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 477 | 8 | 1 | 4 | 6.2 | CC(C)Oc1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3cccnc3)c2c1 | nan | |||
44234257 | 134193 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 477 | 9 | 1 | 4 | 6.2 | CCCOc1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccn3)c2c1 | nan | |||
CHEMBL3659691 | 134193 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 477 | 9 | 1 | 4 | 6.2 | CCCOc1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccn3)c2c1 | nan | |||
44413430 | 145547 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 405 | 7 | 2 | 5 | 4.7 | CC(C)Cc1ccc(-c2nc(-c3ccc([C@H]4C[C@@H](CC(=O)O)CN4)cc3)no2)cc1 | 10.1016/j.bmcl.2006.03.090 | |||
CHEMBL378061 | 145547 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 405 | 7 | 2 | 5 | 4.7 | CC(C)Cc1ccc(-c2nc(-c3ccc([C@H]4C[C@@H](CC(=O)O)CN4)cc3)no2)cc1 | 10.1016/j.bmcl.2006.03.090 | |||
59762368 | 133699 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 502 | 8 | 2 | 4 | 6.8 | CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(NC3CCCC3)cc2n1Cc1ccccn1 | nan | |||
CHEMBL3655485 | 133699 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 502 | 8 | 2 | 4 | 6.8 | CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(NC3CCCC3)cc2n1Cc1ccccn1 | nan | |||
59762285 | 133679 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 517 | 8 | 1 | 5 | 7.3 | CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(Oc3nccs3)cc2n1Cc1ccccc1 | nan | |||
CHEMBL3655466 | 133679 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 517 | 8 | 1 | 5 | 7.3 | CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(Oc3nccs3)cc2n1Cc1ccccc1 | nan | |||
11555202 | 186510 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 504 | 10 | 4 | 5 | 4.4 | C[C@](N)(COP(=O)(O)O)C(=O)Nc1ccc(OCCc2ccc(-c3ccccc3Cl)cc2)cc1 | 10.1016/j.bmcl.2009.02.073 | |||
CHEMBL474407 | 186510 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 504 | 10 | 4 | 5 | 4.4 | C[C@](N)(COP(=O)(O)O)C(=O)Nc1ccc(OCCc2ccc(-c3ccccc3Cl)cc2)cc1 | 10.1016/j.bmcl.2009.02.073 | |||
44234513 | 133205 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 382 | 8 | 3 | 3 | 4.1 | O=P(O)(O)CCCNCc1ccc(-c2ccccc2)c(-c2ccccc2)n1 | nan | |||
CHEMBL3651716 | 133205 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 382 | 8 | 3 | 3 | 4.1 | O=P(O)(O)CCCNCc1ccc(-c2ccccc2)c(-c2ccccc2)n1 | nan | |||
59762273 | 133656 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 517 | 8 | 2 | 5 | 5.2 | CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(C3=N[C@@H](CO)CO3)cc2n1Cc1ccccc1 | nan | |||
CHEMBL3655444 | 133656 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 517 | 8 | 2 | 5 | 5.2 | CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(C3=N[C@@H](CO)CO3)cc2n1Cc1ccccc1 | nan | |||
59762438 | 133705 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 484 | 8 | 2 | 4 | 6.6 | CC(C)c1c(C(=O)NCc2cncc(F)c2)c2ccc(NC3CCCC3)cc2n1Cc1ccccc1 | nan | |||
CHEMBL3655492 | 133705 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 484 | 8 | 2 | 4 | 6.6 | CC(C)c1c(C(=O)NCc2cncc(F)c2)c2ccc(NC3CCCC3)cc2n1Cc1ccccc1 | nan | |||
59504167 | 133217 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 461 | 6 | 2 | 4 | 5.7 | O=C(NCc1ccc(F)c(F)c1)c1c(C2CCCC2)n(Cc2ccccn2)c2ccc(O)cc12 | nan | |||
CHEMBL3651727 | 133217 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 461 | 6 | 2 | 4 | 5.7 | O=C(NCc1ccc(F)c(F)c1)c1c(C2CCCC2)n(Cc2ccccn2)c2ccc(O)cc12 | nan | |||
59762397 | 133650 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 515 | 8 | 1 | 4 | 6.6 | CC[C@H]1COC(c2ccc3c(C(=O)NCc4ccc(F)c(F)c4)c(C(C)C)n(Cc4ccccc4)c3c2)=N1 | nan | |||
CHEMBL3655438 | 133650 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 515 | 8 | 1 | 4 | 6.6 | CC[C@H]1COC(c2ccc3c(C(=O)NCc4ccc(F)c(F)c4)c(C(C)C)n(Cc4ccccc4)c3c2)=N1 | nan | |||
59762381 | 133688 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 518 | 8 | 1 | 6 | 6.7 | CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(Oc3nccs3)cc2n1Cc1cccnc1 | nan | |||
CHEMBL3655474 | 133688 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 518 | 8 | 1 | 6 | 6.7 | CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(Oc3nccs3)cc2n1Cc1cccnc1 | nan | |||
44394149 | 130805 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 377 | 15 | 3 | 3 | 4.5 | CCCCCCCCCCCCCCN1CCC(C(O)P(=O)(O)O)C1 | 10.1016/j.bmcl.2004.07.049 | |||
CHEMBL363008 | 130805 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 377 | 15 | 3 | 3 | 4.5 | CCCCCCCCCCCCCCN1CCC(C(O)P(=O)(O)O)C1 | 10.1016/j.bmcl.2004.07.049 | |||
10308738 | 17043 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 335 | 14 | 3 | 3 | 3.9 | CCCCCCCCCc1ccc(CNCC(O)CC(=O)O)cc1 | 10.1016/j.bmcl.2004.04.069 | |||
CHEMBL116140 | 17043 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 335 | 14 | 3 | 3 | 3.9 | CCCCCCCCCc1ccc(CNCC(O)CC(=O)O)cc1 | 10.1016/j.bmcl.2004.04.069 | |||
10286857 | 174883 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 353 | 14 | 2 | 2 | 5.4 | CCCCCCCCCc1ccc(CNCCCP(C)(=O)O)cc1 | 10.1016/j.bmcl.2004.04.069 | |||
CHEMBL432809 | 174883 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 353 | 14 | 2 | 2 | 5.4 | CCCCCCCCCc1ccc(CNCCCP(C)(=O)O)cc1 | 10.1016/j.bmcl.2004.04.069 | |||
25060262 | 133728 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 515 | 7 | 1 | 3 | 6.3 | CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(C(=O)N3CCCC3)cc2n1Cc1ccccc1 | nan | |||
CHEMBL3655515 | 133728 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 515 | 7 | 1 | 3 | 6.3 | CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(C(=O)N3CCCC3)cc2n1Cc1ccccc1 | nan | |||
44412416 | 84972 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 431 | 6 | 2 | 5 | 5.7 | O=C(O)C[C@@H]1CC[C@H](c2ccc(-c3noc(-c4ccc(C5CCCCC5)cc4)n3)cc2)N1 | 10.1016/j.bmcl.2006.03.038 | |||
CHEMBL210520 | 84972 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 431 | 6 | 2 | 5 | 5.7 | O=C(O)C[C@@H]1CC[C@H](c2ccc(-c3noc(-c4ccc(C5CCCCC5)cc4)n3)cc2)N1 | 10.1016/j.bmcl.2006.03.038 | |||
59762431 | 133673 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 433 | 6 | 2 | 3 | 5.6 | CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(N)cc2n1Cc1ccccc1 | nan | |||
CHEMBL3655460 | 133673 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 433 | 6 | 2 | 3 | 5.6 | CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(N)cc2n1Cc1ccccc1 | nan | |||
44233749 | 134185 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 473 | 8 | 1 | 5 | 5.5 | CCOC(=O)c1ccc2c(C(=O)NCc3cccc(F)c3)c(C(C)C)n(Cc3ccccn3)c2c1 | nan | |||
CHEMBL3659683 | 134185 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 473 | 8 | 1 | 5 | 5.5 | CCOC(=O)c1ccc2c(C(=O)NCc3cccc(F)c3)c(C(C)C)n(Cc3ccccn3)c2c1 | nan | |||
59762344 | 133674 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 503 | 8 | 2 | 4 | 6.2 | CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(NC3CCOC3)cc2n1Cc1ccccc1 | nan | |||
CHEMBL3655461 | 133674 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 503 | 8 | 2 | 4 | 6.2 | CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(NC3CCOC3)cc2n1Cc1ccccc1 | nan | |||
10384596 | 16908 | 2 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 371 | 13 | 4 | 3 | 3.7 | CCCCCCCCc1ccc(CC[C@@H](N)C[C@H](O)P(=O)(O)O)cc1 | 10.1016/j.bmcl.2004.04.069 | |||
CHEMBL115713 | 16908 | 2 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 371 | 13 | 4 | 3 | 3.7 | CCCCCCCCc1ccc(CC[C@@H](N)C[C@H](O)P(=O)(O)O)cc1 | 10.1016/j.bmcl.2004.04.069 | |||
10384596 | 16908 | 2 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 371 | 13 | 4 | 3 | 3.7 | CCCCCCCCc1ccc(CC[C@@H](N)C[C@H](O)P(=O)(O)O)cc1 | 10.1021/acs.jmedchem.6b01575 | |||
CHEMBL115713 | 16908 | 2 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 371 | 13 | 4 | 3 | 3.7 | CCCCCCCCc1ccc(CC[C@@H](N)C[C@H](O)P(=O)(O)O)cc1 | 10.1021/acs.jmedchem.6b01575 | |||
59762383 | 133660 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 516 | 8 | 1 | 5 | 6.0 | CC[C@H]1COC(c2ccc3c(C(=O)NCc4cc(F)cc(F)c4)c(C(C)C)n(Cc4ccccn4)c3c2)=N1 | nan | |||
CHEMBL3655448 | 133660 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 516 | 8 | 1 | 5 | 6.0 | CC[C@H]1COC(c2ccc3c(C(=O)NCc4cc(F)cc(F)c4)c(C(C)C)n(Cc4ccccn4)c3c2)=N1 | nan | |||
44341276 | 16878 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 371 | 13 | 4 | 3 | 3.7 | CCCCCCCCc1ccc(CC[C@@H](N)C[C@@H](O)P(=O)(O)O)cc1 | 10.1016/j.bmcl.2004.02.106 | |||
CHEMBL115554 | 16878 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 371 | 13 | 4 | 3 | 3.7 | CCCCCCCCc1ccc(CC[C@@H](N)C[C@@H](O)P(=O)(O)O)cc1 | 10.1016/j.bmcl.2004.02.106 | |||
10287034 | 72957 | 3 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 367 | 11 | 2 | 2 | 4.7 | CCCCCCCCCc1ccc(CN2CCC(P(=O)(O)O)C2)cc1 | 10.1016/j.bmcl.2004.07.049 | |||
CHEMBL184349 | 72957 | 3 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 367 | 11 | 2 | 2 | 4.7 | CCCCCCCCCc1ccc(CN2CCC(P(=O)(O)O)C2)cc1 | 10.1016/j.bmcl.2004.07.049 | |||
10287365 | 17345 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 389 | 12 | 3 | 2 | 5.1 | CCCCCCc1ccc(-c2ccc(CNCCCP(=O)(O)O)cc2)cc1 | 10.1016/j.bmcl.2004.04.070 | |||
CHEMBL116981 | 17345 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 389 | 12 | 3 | 2 | 5.1 | CCCCCCc1ccc(-c2ccc(CNCCCP(=O)(O)O)cc2)cc1 | 10.1016/j.bmcl.2004.04.070 | |||
44234516 | 133207 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 396 | 8 | 3 | 3 | 4.2 | CCc1ccc(-c2ccc(CNCCP(=O)(O)O)nc2-c2ccccc2)cc1 | nan | |||
CHEMBL3651718 | 133207 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 396 | 8 | 3 | 3 | 4.2 | CCc1ccc(-c2ccc(CNCCP(=O)(O)O)nc2-c2ccccc2)cc1 | nan | |||
44234760 | 133210 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 397 | 8 | 3 | 4 | 3.6 | CCc1ccc(-c2ccc(CNCCP(=O)(O)O)nc2-c2ccncc2)cc1 | nan | |||
CHEMBL3651720 | 133210 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 397 | 8 | 3 | 4 | 3.6 | CCc1ccc(-c2ccc(CNCCP(=O)(O)O)nc2-c2ccncc2)cc1 | nan | |||
59504169 | 133745 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 455 | 8 | 1 | 5 | 5.3 | CCOC(=O)c1ccc2c(C(=O)NCc3cccnc3)c(C(C)C)n(Cc3ccccc3)c2c1 | nan | |||
CHEMBL3655532 | 133745 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 455 | 8 | 1 | 5 | 5.3 | CCOC(=O)c1ccc2c(C(=O)NCc3cccnc3)c(C(C)C)n(Cc3ccccc3)c2c1 | nan | |||
59762366 | 133717 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 467 | 8 | 1 | 5 | 5.8 | CC(C)Oc1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ncco3)c2c1 | nan | |||
CHEMBL3655504 | 133717 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 467 | 8 | 1 | 5 | 5.8 | CC(C)Oc1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ncco3)c2c1 | nan | |||
25059487 | 133202 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 462 | 8 | 1 | 3 | 6.4 | CCOc1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccc3)c2c1 | nan | |||
CHEMBL3651713 | 133202 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 462 | 8 | 1 | 3 | 6.4 | CCOc1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccc3)c2c1 | nan | |||
25059487 | 133202 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 462 | 8 | 1 | 3 | 6.4 | CCOc1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccc3)c2c1 | nan | |||
CHEMBL3651713 | 133202 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 462 | 8 | 1 | 3 | 6.4 | CCOc1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccc3)c2c1 | nan | |||
44234005 | 134187 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 505 | 8 | 1 | 5 | 5.6 | CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(OC3CCOC3)cc2n1Cc1ccccn1 | nan | |||
CHEMBL3659685 | 134187 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 505 | 8 | 1 | 5 | 5.6 | CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(OC3CCOC3)cc2n1Cc1ccccn1 | nan | |||
44394153 | 72930 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 363 | 14 | 3 | 3 | 4.3 | CCCCCCCCCCCCCCN1CCC(O)(P(=O)(O)O)C1 | 10.1016/j.bmcl.2004.07.049 | |||
CHEMBL184237 | 72930 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 363 | 14 | 3 | 3 | 4.3 | CCCCCCCCCCCCCCN1CCC(O)(P(=O)(O)O)C1 | 10.1016/j.bmcl.2004.07.049 | |||
44394169 | 73457 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 375 | 16 | 2 | 2 | 5.7 | CCCCCCCCCCCCCCN1CCCC1CCP(=O)(O)O | 10.1016/j.bmcl.2004.07.049 | |||
CHEMBL185447 | 73457 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 375 | 16 | 2 | 2 | 5.7 | CCCCCCCCCCCCCCN1CCCC1CCP(=O)(O)O | 10.1016/j.bmcl.2004.07.049 | |||
44234763 | 133213 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 397 | 8 | 2 | 3 | 4.8 | Cc1ccc(-c2ccc(COCCCP(=O)(O)O)nc2-c2ccccc2)cc1 | nan | |||
CHEMBL3651723 | 133213 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 397 | 8 | 2 | 3 | 4.8 | Cc1ccc(-c2ccc(COCCCP(=O)(O)O)nc2-c2ccccc2)cc1 | nan | |||
127041987 | 143406 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 319 | 11 | 1 | 3 | 3.9 | CCCCCCCCOc1ccc(CN2CC(C(=O)O)C2)cc1 | 10.1021/acs.jmedchem.5b00928 | |||
CHEMBL3739878 | 143406 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 319 | 11 | 1 | 3 | 3.9 | CCCCCCCCOc1ccc(CN2CC(C(=O)O)C2)cc1 | 10.1021/acs.jmedchem.5b00928 | |||
25060263 | 133729 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 489 | 7 | 1 | 3 | 5.7 | CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(C(=O)N(C)C)cc2n1Cc1ccccc1 | nan | |||
CHEMBL3655516 | 133729 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 489 | 7 | 1 | 3 | 5.7 | CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(C(=O)N(C)C)cc2n1Cc1ccccc1 | nan | |||
44344456 | 17415 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 355 | 14 | 3 | 2 | 4.6 | NC(CCCCCCCCCCc1ccccc1)CCP(=O)(O)O | 10.1016/j.bmcl.2004.04.069 | |||
CHEMBL117031 | 17415 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 355 | 14 | 3 | 2 | 4.6 | NC(CCCCCCCCCCc1ccccc1)CCP(=O)(O)O | 10.1016/j.bmcl.2004.04.069 | |||
44344404 | 18133 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 349 | 18 | 3 | 2 | 5.2 | CCCCCCCCCCCCCCCNCCCP(=O)(O)O | 10.1016/j.bmcl.2004.04.069 | |||
CHEMBL117973 | 18133 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 349 | 18 | 3 | 2 | 5.2 | CCCCCCCCCCCCCCCNCCCP(=O)(O)O | 10.1016/j.bmcl.2004.04.069 | |||
11725751 | 19619 | 5 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 355 | 14 | 3 | 2 | 4.6 | CCCCCCCCCc1ccc(CNCCCP(=O)(O)O)cc1 | 10.1016/j.bmcl.2004.04.069 | |||
11725751 | 19619 | 5 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 355 | 14 | 3 | 2 | 4.6 | CCCCCCCCCc1ccc(CNCCCP(=O)(O)O)cc1 | 10.1016/j.bmcl.2004.04.070 | |||
CHEMBL118860 | 19619 | 5 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 355 | 14 | 3 | 2 | 4.6 | CCCCCCCCCc1ccc(CNCCCP(=O)(O)O)cc1 | 10.1016/j.bmcl.2004.04.069 | |||
CHEMBL118860 | 19619 | 5 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 355 | 14 | 3 | 2 | 4.6 | CCCCCCCCCc1ccc(CNCCCP(=O)(O)O)cc1 | 10.1016/j.bmcl.2004.04.070 | |||
10149985 | 20151 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 341 | 13 | 3 | 2 | 4.2 | CCCCCCCCc1ccc(CNCCCP(=O)(O)O)cc1 | 10.1021/acs.jmedchem.6b01575 | |||
CHEMBL119256 | 20151 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 341 | 13 | 3 | 2 | 4.2 | CCCCCCCCc1ccc(CNCCCP(=O)(O)O)cc1 | 10.1021/acs.jmedchem.6b01575 | |||
44394191 | 73083 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 381 | 12 | 3 | 2 | 5.3 | CCCCCCCCCc1ccc(C2CCC(CCP(=O)(O)O)N2)cc1 | 10.1016/j.bmcl.2004.07.049 | |||
CHEMBL184879 | 73083 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 381 | 12 | 3 | 2 | 5.3 | CCCCCCCCCc1ccc(C2CCC(CCP(=O)(O)O)N2)cc1 | 10.1016/j.bmcl.2004.07.049 | |||
44344194 | 18688 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 321 | 16 | 3 | 2 | 4.5 | CCCCCCCCCCCCCNCCCP(=O)(O)O | 10.1016/j.bmcl.2004.04.069 | |||
CHEMBL118265 | 18688 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 321 | 16 | 3 | 2 | 4.5 | CCCCCCCCCCCCCNCCCP(=O)(O)O | 10.1016/j.bmcl.2004.04.069 | |||
44394191 | 73083 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 381 | 12 | 3 | 2 | 5.3 | CCCCCCCCCc1ccc(C2CCC(CCP(=O)(O)O)N2)cc1 | 10.1016/j.bmcl.2004.07.049 | |||
CHEMBL184879 | 73083 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 381 | 12 | 3 | 2 | 5.3 | CCCCCCCCCc1ccc(C2CCC(CCP(=O)(O)O)N2)cc1 | 10.1016/j.bmcl.2004.07.049 | |||
44565717 | 196309 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 479 | 9 | 4 | 5 | 4.6 | C[C@](N)(COP(=O)(O)O)c1nc(-c2ccc(OCc3ccc(-c4ccccc4)cc3)cc2)c[nH]1 | 10.1016/j.bmcl.2009.02.073 | |||
CHEMBL514170 | 196309 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 479 | 9 | 4 | 5 | 4.6 | C[C@](N)(COP(=O)(O)O)c1nc(-c2ccc(OCc3ccc(-c4ccccc4)cc3)cc2)c[nH]1 | 10.1016/j.bmcl.2009.02.073 | |||
44565738 | 196532 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 445 | 11 | 4 | 5 | 3.8 | C[C@](N)(COP(=O)(O)O)c1nc(-c2ccc(OCCCCc3ccccc3)cc2)c[nH]1 | 10.1016/j.bmcl.2009.02.073 | |||
CHEMBL515917 | 196532 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 445 | 11 | 4 | 5 | 3.8 | C[C@](N)(COP(=O)(O)O)c1nc(-c2ccc(OCCCCc3ccccc3)cc2)c[nH]1 | 10.1016/j.bmcl.2009.02.073 | |||
44565717 | 196309 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 479 | 9 | 4 | 5 | 4.6 | C[C@](N)(COP(=O)(O)O)c1nc(-c2ccc(OCc3ccc(-c4ccccc4)cc3)cc2)c[nH]1 | 10.1016/j.bmcl.2010.02.098 | |||
CHEMBL514170 | 196309 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 479 | 9 | 4 | 5 | 4.6 | C[C@](N)(COP(=O)(O)O)c1nc(-c2ccc(OCc3ccc(-c4ccccc4)cc3)cc2)c[nH]1 | 10.1016/j.bmcl.2010.02.098 | |||
44232785 | 133631 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 490 | 8 | 1 | 4 | 6.3 | CCC(=O)Oc1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccc3)c2c1 | nan | |||
CHEMBL3655419 | 133631 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 490 | 8 | 1 | 4 | 6.3 | CCC(=O)Oc1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccc3)c2c1 | nan | |||
59762446 | 133706 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 487 | 8 | 2 | 3 | 7.0 | CC(C)c1c(C(=O)NCc2cc(F)cc(F)c2)c2ccc(NC3CCC3)cc2n1Cc1ccccc1 | nan | |||
CHEMBL3655493 | 133706 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 487 | 8 | 2 | 3 | 7.0 | CC(C)c1c(C(=O)NCc2cc(F)cc(F)c2)c2ccc(NC3CCC3)cc2n1Cc1ccccc1 | nan | |||
10311227 | 176112 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 493 | 17 | 3 | 4 | 5.6 | CCCCCCCCCCOc1c(Br)cc(CNCCCP(=O)(O)O)cc1OC | 10.1016/j.bmcl.2004.04.070 | |||
CHEMBL441826 | 176112 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 493 | 17 | 3 | 4 | 5.6 | CCCCCCCCCCOc1c(Br)cc(CNCCCP(=O)(O)O)cc1OC | 10.1016/j.bmcl.2004.04.070 | |||
11540052 | 187346 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 470 | 10 | 4 | 5 | 3.7 | C[C@](N)(COP(=O)(O)O)C(=O)Nc1ccc(OCCc2ccc(-c3ccccc3)cc2)cc1 | 10.1016/j.bmcl.2009.02.073 | |||
CHEMBL475405 | 187346 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 470 | 10 | 4 | 5 | 3.7 | C[C@](N)(COP(=O)(O)O)C(=O)Nc1ccc(OCCc2ccc(-c3ccccc3)cc2)cc1 | 10.1016/j.bmcl.2009.02.073 | |||
11540052 | 187346 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 470 | 10 | 4 | 5 | 3.7 | C[C@](N)(COP(=O)(O)O)C(=O)Nc1ccc(OCCc2ccc(-c3ccccc3)cc2)cc1 | 10.1016/j.bmcl.2010.02.098 | |||
CHEMBL475405 | 187346 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 470 | 10 | 4 | 5 | 3.7 | C[C@](N)(COP(=O)(O)O)C(=O)Nc1ccc(OCCc2ccc(-c3ccccc3)cc2)cc1 | 10.1016/j.bmcl.2010.02.098 | |||
10217498 | 91861 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 481 | 7 | 1 | 4 | 6.2 | O=C(O)C1CN(Cc2ccc(OCc3cc(-c4ccccc4)c(C(F)(F)F)s3)c(Cl)c2)C1 | 10.1021/jm0492507 | |||
CHEMBL224571 | 91861 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 481 | 7 | 1 | 4 | 6.2 | O=C(O)C1CN(Cc2ccc(OCc3cc(-c4ccccc4)c(C(F)(F)F)s3)c(Cl)c2)C1 | 10.1021/jm0492507 | |||
46885742 | 14473 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 495 | 10 | 4 | 6 | 3.6 | C[C@](N)(COP(=O)(O)O)C(=O)Nc1ccc(OCCc2ccc(-c3ccccc3)cc2)c(C#N)c1 | 10.1016/j.bmcl.2010.02.098 | |||
CHEMBL1088819 | 14473 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 495 | 10 | 4 | 6 | 3.6 | C[C@](N)(COP(=O)(O)O)C(=O)Nc1ccc(OCCc2ccc(-c3ccccc3)cc2)c(C#N)c1 | 10.1016/j.bmcl.2010.02.098 | |||
25008420 | 15236 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 547 | 9 | 4 | 5 | 5.6 | C[C@](N)(COP(=O)(O)O)c1nc(-c2ccc(OCc3ccc(-c4ccccc4)cc3)c(C(F)(F)F)c2)c[nH]1 | 10.1016/j.bmcl.2010.02.098 | |||
CHEMBL1093823 | 15236 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 547 | 9 | 4 | 5 | 5.6 | C[C@](N)(COP(=O)(O)O)c1nc(-c2ccc(OCc3ccc(-c4ccccc4)cc3)c(C(F)(F)F)c2)c[nH]1 | 10.1016/j.bmcl.2010.02.098 | |||
25060261 | 133642 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 448 | 7 | 2 | 3 | 5.5 | CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(CO)cc2n1Cc1ccccc1 | nan | |||
CHEMBL3655430 | 133642 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 448 | 7 | 2 | 3 | 5.5 | CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(CO)cc2n1Cc1ccccc1 | nan | |||
11224984 | 15489 | 23 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 460 | 8 | 2 | 6 | 4.3 | CCC/N=C1\S/C(=C\c2ccc(OC[C@@H](O)CO)c(Cl)c2)C(=O)N1c1ccccc1C | 10.1021/jm100181s | |||
CHEMBL1095833 | 15489 | 23 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 460 | 8 | 2 | 6 | 4.3 | CCC/N=C1\S/C(=C\c2ccc(OC[C@@H](O)CO)c(Cl)c2)C(=O)N1c1ccccc1C | 10.1021/jm100181s | |||
59504164 | 133216 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 418 | 6 | 1 | 2 | 6.0 | CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccccc2n1Cc1ccccc1 | nan | |||
CHEMBL3651726 | 133216 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 418 | 6 | 1 | 2 | 6.0 | CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccccc2n1Cc1ccccc1 | nan | |||
11725751 | 19619 | 5 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 355 | 14 | 3 | 2 | 4.6 | CCCCCCCCCc1ccc(CNCCCP(=O)(O)O)cc1 | 10.1016/j.bmcl.2004.04.069 | |||
CHEMBL118860 | 19619 | 5 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 355 | 14 | 3 | 2 | 4.6 | CCCCCCCCCc1ccc(CNCCCP(=O)(O)O)cc1 | 10.1016/j.bmcl.2004.04.069 | |||
10149985 | 20151 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 341 | 13 | 3 | 2 | 4.2 | CCCCCCCCc1ccc(CNCCCP(=O)(O)O)cc1 | 10.1016/j.bmcl.2004.04.070 | |||
CHEMBL119256 | 20151 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 341 | 13 | 3 | 2 | 4.2 | CCCCCCCCc1ccc(CNCCCP(=O)(O)O)cc1 | 10.1016/j.bmcl.2004.04.070 | |||
59762348 | 133669 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 477 | 8 | 1 | 5 | 5.3 | CC(=O)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(OC(C)C)cc2n1Cc1ccccn1 | nan | |||
CHEMBL3655456 | 133669 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 477 | 8 | 1 | 5 | 5.3 | CC(=O)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(OC(C)C)cc2n1Cc1ccccn1 | nan | |||
59762396 | 133722 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 512 | 8 | 1 | 5 | 6.6 | CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(Oc3ccccn3)cc2n1Cc1ccccn1 | nan | |||
CHEMBL3655509 | 133722 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 512 | 8 | 1 | 5 | 6.6 | CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(Oc3ccccn3)cc2n1Cc1ccccn1 | nan | |||
59504168 | 133741 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 475 | 8 | 1 | 4 | 6.0 | CO/N=C/c1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccc3)c2c1 | nan | |||
CHEMBL3655528 | 133741 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 475 | 8 | 1 | 4 | 6.0 | CO/N=C/c1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccc3)c2c1 | nan | |||
11683935 | 186120 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 456 | 9 | 4 | 5 | 3.7 | C[C@](N)(COP(=O)(O)O)C(=O)Nc1ccc(OCc2ccc(-c3ccccc3)cc2)cc1 | 10.1016/j.bmcl.2009.02.073 | |||
CHEMBL473563 | 186120 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 456 | 9 | 4 | 5 | 3.7 | C[C@](N)(COP(=O)(O)O)C(=O)Nc1ccc(OCc2ccc(-c3ccccc3)cc2)cc1 | 10.1016/j.bmcl.2009.02.073 | |||
44565716 | 186522 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 493 | 10 | 4 | 5 | 4.6 | C[C@](N)(COP(=O)(O)O)c1nc(-c2ccc(OCCc3ccc(-c4ccccc4)cc3)cc2)c[nH]1 | 10.1016/j.bmcl.2009.02.073 | |||
CHEMBL474418 | 186522 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 493 | 10 | 4 | 5 | 4.6 | C[C@](N)(COP(=O)(O)O)c1nc(-c2ccc(OCCc3ccc(-c4ccccc4)cc3)cc2)c[nH]1 | 10.1016/j.bmcl.2009.02.073 | |||
10127776 | 17825 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 465 | 15 | 3 | 4 | 4.9 | CCCCCCCCOc1c(Br)cc(CNCCCP(=O)(O)O)cc1OC | 10.1016/j.bmcl.2004.04.070 | |||
CHEMBL117723 | 17825 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 465 | 15 | 3 | 4 | 4.9 | CCCCCCCCOc1c(Br)cc(CNCCCP(=O)(O)O)cc1OC | 10.1016/j.bmcl.2004.04.070 | |||
44413415 | 145468 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 461 | 7 | 2 | 4 | 6.1 | O=C(O)CC1CNC(c2ccc(OCc3cc(-c4ccccc4)c(C(F)(F)F)s3)cc2)C1 | 10.1016/j.bmcl.2006.03.090 | |||
CHEMBL377855 | 145468 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 461 | 7 | 2 | 4 | 6.1 | O=C(O)CC1CNC(c2ccc(OCc3cc(-c4ccccc4)c(C(F)(F)F)s3)cc2)C1 | 10.1016/j.bmcl.2006.03.090 | |||
10127776 | 17825 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 465 | 15 | 3 | 4 | 4.9 | CCCCCCCCOc1c(Br)cc(CNCCCP(=O)(O)O)cc1OC | 10.1021/jm0492507 | |||
CHEMBL117723 | 17825 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 465 | 15 | 3 | 4 | 4.9 | CCCCCCCCOc1c(Br)cc(CNCCCP(=O)(O)O)cc1OC | 10.1021/jm0492507 | |||
10215259 | 91882 | 5 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 331 | 11 | 1 | 2 | 4.9 | CCCCCCCCCc1ccc(CN2CCC(C(=O)O)C2)cc1 | 10.1021/jm0492507 | |||
CHEMBL224703 | 91882 | 5 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 331 | 11 | 1 | 2 | 4.9 | CCCCCCCCCc1ccc(CN2CCC(C(=O)O)C2)cc1 | 10.1021/jm0492507 | |||
11248292 | 150284 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 465 | 7 | 1 | 4 | 5.7 | O=C(O)C1CN(Cc2ccc(OCc3cc(-c4ccccc4)c(C(F)(F)F)s3)c(F)c2)C1 | 10.1021/jm0492507 | |||
CHEMBL389880 | 150284 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 465 | 7 | 1 | 4 | 5.7 | O=C(O)C1CN(Cc2ccc(OCc3cc(-c4ccccc4)c(C(F)(F)F)s3)c(F)c2)C1 | 10.1021/jm0492507 | |||
59762332 | 133692 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 495 | 7 | 1 | 3 | 7.1 | CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(-c3ccncc3)cc2n1Cc1ccccc1 | nan | |||
CHEMBL3655478 | 133692 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 495 | 7 | 1 | 3 | 7.1 | CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(-c3ccncc3)cc2n1Cc1ccccc1 | nan | |||
10287034 | 72957 | 3 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 367 | 11 | 2 | 2 | 4.7 | CCCCCCCCCc1ccc(CN2CCC(P(=O)(O)O)C2)cc1 | 10.1021/jm0492507 | |||
CHEMBL184349 | 72957 | 3 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 367 | 11 | 2 | 2 | 4.7 | CCCCCCCCCc1ccc(CN2CCC(P(=O)(O)O)C2)cc1 | 10.1021/jm0492507 | |||
44394330 | 72787 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 375 | 14 | 3 | 3 | 5.4 | CCCCCCCCCCCCCCC1CC(O)(P(C)(=O)O)CCN1 | 10.1016/j.bmcl.2004.07.049 | |||
CHEMBL183688 | 72787 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 375 | 14 | 3 | 3 | 5.4 | CCCCCCCCCCCCCCC1CC(O)(P(C)(=O)O)CCN1 | 10.1016/j.bmcl.2004.07.049 | |||
44394247 | 128994 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 389 | 16 | 3 | 2 | 6.0 | CCCCCCCCCCCCCCNC1CCCCC1CP(=O)(O)O | 10.1016/j.bmcl.2004.07.049 | |||
CHEMBL359762 | 128994 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 389 | 16 | 3 | 2 | 6.0 | CCCCCCCCCCCCCCNC1CCCCC1CP(=O)(O)O | 10.1016/j.bmcl.2004.07.049 | |||
44412364 | 84878 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 453 | 6 | 2 | 5 | 5.6 | O=C(O)C[C@@H]1CC[C@H](c2ccc(-c3noc(-c4ccc([C@H]5CCC(F)(F)C5)cc4)n3)cc2)N1 | 10.1016/j.bmcl.2006.03.038 | |||
CHEMBL210257 | 84878 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 453 | 6 | 2 | 5 | 5.6 | O=C(O)C[C@@H]1CC[C@H](c2ccc(-c3noc(-c4ccc([C@H]5CCC(F)(F)C5)cc4)n3)cc2)N1 | 10.1016/j.bmcl.2006.03.038 | |||
127037695 | 143353 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 333 | 12 | 1 | 3 | 4.3 | CCCCCCCCCOc1ccc(CN2CC(C(=O)O)C2)cc1 | 10.1021/acs.jmedchem.5b00928 | |||
CHEMBL3739440 | 143353 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 333 | 12 | 1 | 3 | 4.3 | CCCCCCCCCOc1ccc(CN2CC(C(=O)O)C2)cc1 | 10.1021/acs.jmedchem.5b00928 | |||
59762334 | 133719 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 586 | 8 | 1 | 7 | 7.0 | CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(Oc3ncc(Br)s3)cc2n1Cc1ncco1 | nan | |||
CHEMBL3655506 | 133719 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 586 | 8 | 1 | 7 | 7.0 | CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(Oc3ncc(Br)s3)cc2n1Cc1ncco1 | nan | |||
44233018 | 133735 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 489 | 9 | 2 | 3 | 6.5 | CC(C)NCc1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccc3)c2c1 | nan | |||
CHEMBL3655522 | 133735 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 489 | 9 | 2 | 3 | 6.5 | CC(C)NCc1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccc3)c2c1 | nan | |||
44234515 | 133206 | 2 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 396 | 8 | 3 | 3 | 4.4 | Cc1ccc(-c2ccc(CNCCCP(=O)(O)O)nc2-c2ccccc2)cc1 | nan | |||
CHEMBL3651717 | 133206 | 2 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 396 | 8 | 3 | 3 | 4.4 | Cc1ccc(-c2ccc(CNCCCP(=O)(O)O)nc2-c2ccccc2)cc1 | nan | |||
91203058 | 133643 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 461 | 8 | 1 | 4 | 6.3 | CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(CN=O)cc2n1Cc1ccccc1 | nan | |||
CHEMBL3655431 | 133643 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 461 | 8 | 1 | 4 | 6.3 | CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(CN=O)cc2n1Cc1ccccc1 | nan | |||
44232783 | 133628 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 505 | 7 | 1 | 4 | 6.1 | CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(OC(=O)N(C)C)cc2n1Cc1ccccc1 | nan | |||
CHEMBL3655416 | 133628 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 505 | 7 | 1 | 4 | 6.1 | CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(OC(=O)N(C)C)cc2n1Cc1ccccc1 | nan | |||
59762375 | 133636 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 473 | 8 | 1 | 5 | 5.5 | CCOC(=O)c1ccc2c(C(=O)NCc3cncc(F)c3)c(C(C)C)n(Cc3ccccc3)c2c1 | nan | |||
CHEMBL3655424 | 133636 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 473 | 8 | 1 | 5 | 5.5 | CCOC(=O)c1ccc2c(C(=O)NCc3cncc(F)c3)c(C(C)C)n(Cc3ccccc3)c2c1 | nan | |||
59762301 | 133639 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 491 | 8 | 1 | 5 | 5.6 | CCOC(=O)c1ccc2c(C(=O)NCc3cc(F)cc(F)c3)c(C(C)C)n(Cc3ccccn3)c2c1 | nan | |||
CHEMBL3655427 | 133639 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 491 | 8 | 1 | 5 | 5.6 | CCOC(=O)c1ccc2c(C(=O)NCc3cc(F)cc(F)c3)c(C(C)C)n(Cc3ccccn3)c2c1 | nan | |||
59762342 | 133725 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 498 | 9 | 1 | 5 | 5.9 | CCOC(=O)Cn1c(C(C)C)c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(OC3CCCC3)cc21 | nan | |||
CHEMBL3655511 | 133725 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 498 | 9 | 1 | 5 | 5.9 | CCOC(=O)Cn1c(C(C)C)c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(OC3CCCC3)cc21 | nan | |||
44233748 | 134184 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 503 | 8 | 2 | 4 | 5.8 | CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(OC3CCNC3)cc2n1Cc1ccccc1 | nan | |||
CHEMBL3659682 | 134184 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 503 | 8 | 2 | 4 | 5.8 | CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(OC3CCNC3)cc2n1Cc1ccccc1 | nan | |||
59762355 | 133637 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 491 | 8 | 1 | 5 | 5.6 | CCOC(=O)c1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3cccnc3)c2c1 | nan | |||
CHEMBL3655425 | 133637 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 491 | 8 | 1 | 5 | 5.6 | CCOC(=O)c1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3cccnc3)c2c1 | nan | |||
25059999 | 133625 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 505 | 10 | 1 | 4 | 6.0 | CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(OCCN(C)C)cc2n1Cc1ccccc1 | nan | |||
CHEMBL3655413 | 133625 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 505 | 10 | 1 | 4 | 6.0 | CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(OCCN(C)C)cc2n1Cc1ccccc1 | nan | |||
59762312 | 133672 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 463 | 7 | 1 | 4 | 5.9 | CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc([N+](=O)[O-])cc2n1Cc1ccccc1 | nan | |||
CHEMBL3655459 | 133672 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 463 | 7 | 1 | 4 | 5.9 | CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc([N+](=O)[O-])cc2n1Cc1ccccc1 | nan | |||
59762384 | 133654 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 502 | 7 | 1 | 5 | 5.6 | CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(C3=N[C@@H](C)CO3)cc2n1Cc1ccccn1 | nan | |||
CHEMBL3655442 | 133654 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 502 | 7 | 1 | 5 | 5.6 | CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(C3=N[C@@H](C)CO3)cc2n1Cc1ccccn1 | nan | |||
44412165 | 84536 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 453 | 6 | 2 | 5 | 5.6 | O=C(O)C[C@@H]1CC[C@H](c2ccc(-c3noc(-c4ccc([C@@H]5CCC(F)(F)C5)cc4)n3)cc2)N1 | 10.1016/j.bmcl.2006.03.038 | |||
CHEMBL209076 | 84536 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 453 | 6 | 2 | 5 | 5.6 | O=C(O)C[C@@H]1CC[C@H](c2ccc(-c3noc(-c4ccc([C@@H]5CCC(F)(F)C5)cc4)n3)cc2)N1 | 10.1016/j.bmcl.2006.03.038 | |||
44565703 | 196311 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 444 | 9 | 4 | 5 | 3.2 | C[C@](N)(COP(=O)(O)O)C(=O)Nc1ccc(OCCc2cccc3ccccc23)cc1 | 10.1016/j.bmcl.2009.02.073 | |||
CHEMBL514189 | 196311 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 444 | 9 | 4 | 5 | 3.2 | C[C@](N)(COP(=O)(O)O)C(=O)Nc1ccc(OCCc2cccc3ccccc23)cc1 | 10.1016/j.bmcl.2009.02.073 | |||
44233019 | 133736 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 475 | 9 | 2 | 3 | 6.1 | CCNCc1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccc3)c2c1 | nan | |||
CHEMBL3655523 | 133736 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 475 | 9 | 2 | 3 | 6.1 | CCNCc1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccc3)c2c1 | nan | |||
10310253 | 20278 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 435 | 14 | 3 | 3 | 4.8 | CCCCCCCCOc1ccc(CNCCCP(=O)(O)O)cc1Br | 10.1016/j.bmcl.2004.04.070 | |||
CHEMBL119354 | 20278 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 435 | 14 | 3 | 3 | 4.8 | CCCCCCCCOc1ccc(CNCCCP(=O)(O)O)cc1Br | 10.1016/j.bmcl.2004.04.070 | |||
10172513 | 16954 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 369 | 14 | 3 | 3 | 4.3 | CCCCCCCCC(=O)c1ccc(CNCCCP(=O)(O)O)cc1 | 10.1016/j.bmcl.2004.04.070 | |||
CHEMBL115970 | 16954 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 369 | 14 | 3 | 3 | 4.3 | CCCCCCCCC(=O)c1ccc(CNCCCP(=O)(O)O)cc1 | 10.1016/j.bmcl.2004.04.070 | |||
25059748 | 133622 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 524 | 9 | 1 | 3 | 7.6 | CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(OCc3ccccc3)cc2n1Cc1ccccc1 | nan | |||
CHEMBL3655410 | 133622 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 524 | 9 | 1 | 3 | 7.6 | CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(OCc3ccccc3)cc2n1Cc1ccccc1 | nan | |||
44159392 | 133737 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 489 | 10 | 2 | 3 | 6.5 | CCCNCc1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccc3)c2c1 | nan | |||
CHEMBL3655524 | 133737 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 489 | 10 | 2 | 3 | 6.5 | CCCNCc1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccc3)c2c1 | nan | |||
44233496 | 134181 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 503 | 9 | 1 | 4 | 6.8 | CCO/N=C(\C)c1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccc3)c2c1 | nan | |||
CHEMBL3659679 | 134181 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 503 | 9 | 1 | 4 | 6.8 | CCO/N=C(\C)c1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccc3)c2c1 | nan | |||
59762325 | 133671 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 506 | 9 | 1 | 6 | 5.5 | CO/N=C(/C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(OC(C)C)cc2n1Cc1ccccn1 | nan | |||
CHEMBL3655458 | 133671 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 506 | 9 | 1 | 6 | 5.5 | CO/N=C(/C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(OC(C)C)cc2n1Cc1ccccn1 | nan | |||
44394220 | 73777 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 375 | 15 | 3 | 2 | 5.8 | CCCCCCCCCCCCCCNC1CCCC(P(=O)(O)O)C1 | 10.1016/j.bmcl.2004.07.049 | |||
CHEMBL186921 | 73777 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 375 | 15 | 3 | 2 | 5.8 | CCCCCCCCCCCCCCNC1CCCC(P(=O)(O)O)C1 | 10.1016/j.bmcl.2004.07.049 | |||
44565714 | 186076 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 484 | 11 | 4 | 5 | 4.1 | C[C@](N)(COP(=O)(O)O)C(=O)Nc1ccc(OCCCc2ccc(-c3ccccc3)cc2)cc1 | 10.1016/j.bmcl.2009.02.073 | |||
CHEMBL473238 | 186076 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 484 | 11 | 4 | 5 | 4.1 | C[C@](N)(COP(=O)(O)O)C(=O)Nc1ccc(OCCCc2ccc(-c3ccccc3)cc2)cc1 | 10.1016/j.bmcl.2009.02.073 | |||
10215741 | 17785 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 371 | 13 | 3 | 4 | 3.5 | CCCCCCCOC(=O)c1ccc(CNCCCP(=O)(O)O)cc1 | 10.1016/j.bmcl.2004.04.070 | |||
CHEMBL117403 | 17785 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 371 | 13 | 3 | 4 | 3.5 | CCCCCCCOC(=O)c1ccc(CNCCCP(=O)(O)O)cc1 | 10.1016/j.bmcl.2004.04.070 | |||
10172338 | 117324 | 3 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 355 | 13 | 3 | 2 | 4.4 | CCCCCCCCc1ccc(CCC(N)CCP(=O)(O)O)cc1 | 10.1016/j.bmcl.2004.04.069 | |||
CHEMBL325198 | 117324 | 3 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 355 | 13 | 3 | 2 | 4.4 | CCCCCCCCc1ccc(CCC(N)CCP(=O)(O)O)cc1 | 10.1016/j.bmcl.2004.04.069 | |||
137655932 | 165736 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 355 | 13 | 3 | 2 | 4.4 | CCCCCCCCc1ccc(CC[C@@H](N)CCP(=O)(O)O)cc1 | 10.1021/acs.jmedchem.6b01575 | |||
CHEMBL4095976 | 165736 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 355 | 13 | 3 | 2 | 4.4 | CCCCCCCCc1ccc(CC[C@@H](N)CCP(=O)(O)O)cc1 | 10.1021/acs.jmedchem.6b01575 | |||
59762427 | 133658 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 506 | 8 | 1 | 6 | 5.6 | CC[C@H]1COC(c2ccc3c(C(=O)NCc4ccc(F)c(F)c4)c(C(C)C)n(Cc4ncco4)c3c2)=N1 | nan | |||
CHEMBL3655446 | 133658 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 506 | 8 | 1 | 6 | 5.6 | CC[C@H]1COC(c2ccc3c(C(=O)NCc4ccc(F)c(F)c4)c(C(C)C)n(Cc4ncco4)c3c2)=N1 | nan | |||
10172338 | 117324 | 3 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 355 | 13 | 3 | 2 | 4.4 | CCCCCCCCc1ccc(CCC(N)CCP(=O)(O)O)cc1 | 10.1016/j.bmcl.2004.02.106 | |||
CHEMBL325198 | 117324 | 3 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 355 | 13 | 3 | 2 | 4.4 | CCCCCCCCc1ccc(CCC(N)CCP(=O)(O)O)cc1 | 10.1016/j.bmcl.2004.02.106 | |||
46885743 | 14474 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 504 | 10 | 4 | 5 | 4.4 | C[C@](N)(COP(=O)(O)O)C(=O)Nc1ccc(OCCc2ccc(-c3ccccc3)cc2)c(Cl)c1 | 10.1016/j.bmcl.2010.02.098 | |||
CHEMBL1088820 | 14474 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 504 | 10 | 4 | 5 | 4.4 | C[C@](N)(COP(=O)(O)O)C(=O)Nc1ccc(OCCc2ccc(-c3ccccc3)cc2)c(Cl)c1 | 10.1016/j.bmcl.2010.02.098 | |||
44234004 | 134189 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 493 | 10 | 1 | 5 | 5.4 | COCCOc1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccn3)c2c1 | nan | |||
CHEMBL3659687 | 134189 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 493 | 10 | 1 | 5 | 5.4 | COCCOc1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccn3)c2c1 | nan | |||
59762421 | 133685 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 474 | 9 | 1 | 5 | 5.7 | CC(C)COc1ccc2c(C(=O)NCc3cncc(F)c3)c(C(C)C)n(Cc3ccccn3)c2c1 | nan | |||
CHEMBL3655471 | 133685 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 474 | 9 | 1 | 5 | 5.7 | CC(C)COc1ccc2c(C(=O)NCc3cncc(F)c3)c(C(C)C)n(Cc3ccccn3)c2c1 | nan | |||
57554674 | 143577 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 399 | 12 | 3 | 4 | 4.5 | CCCCCCCCOc1ccc([C@@H]2CC[C@](N)(COP(=O)(O)O)C2)cc1 | 10.1021/acs.jmedchem.5b00928 | |||
CHEMBL3741414 | 143577 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 399 | 12 | 3 | 4 | 4.5 | CCCCCCCCOc1ccc([C@@H]2CC[C@](N)(COP(=O)(O)O)C2)cc1 | 10.1021/acs.jmedchem.5b00928 | |||
25059486 | 133619 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 490 | 10 | 1 | 3 | 7.2 | CCCCOc1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccc3)c2c1 | nan | |||
CHEMBL3655407 | 133619 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 490 | 10 | 1 | 3 | 7.2 | CCCCOc1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccc3)c2c1 | nan | |||
25160863 | 133623 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 502 | 8 | 1 | 3 | 7.3 | CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(OC3CCCC3)cc2n1Cc1ccccc1 | nan | |||
CHEMBL3655411 | 133623 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 502 | 8 | 1 | 3 | 7.3 | CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(OC3CCCC3)cc2n1Cc1ccccc1 | nan | |||
44234003 | 134188 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 503 | 8 | 1 | 4 | 6.7 | CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(OC3CCCC3)cc2n1Cc1ccccn1 | nan | |||
CHEMBL3659686 | 134188 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 503 | 8 | 1 | 4 | 6.7 | CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(OC3CCCC3)cc2n1Cc1ccccn1 | nan | |||
11725751 | 19619 | 5 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 355 | 14 | 3 | 2 | 4.6 | CCCCCCCCCc1ccc(CNCCCP(=O)(O)O)cc1 | 10.1016/j.bmcl.2004.07.049 | |||
CHEMBL118860 | 19619 | 5 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 355 | 14 | 3 | 2 | 4.6 | CCCCCCCCCc1ccc(CNCCCP(=O)(O)O)cc1 | 10.1016/j.bmcl.2004.07.049 | |||
44344193 | 121690 | 5 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 335 | 17 | 3 | 2 | 4.8 | CCCCCCCCCCCCCCNCCCP(=O)(O)O | 10.1016/j.bmcl.2004.04.069 | |||
CHEMBL334213 | 121690 | 5 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 335 | 17 | 3 | 2 | 4.8 | CCCCCCCCCCCCCCNCCCP(=O)(O)O | 10.1016/j.bmcl.2004.04.069 | |||
44344193 | 121690 | 5 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 335 | 17 | 3 | 2 | 4.8 | CCCCCCCCCCCCCCNCCCP(=O)(O)O | 10.1021/jm0492507 | |||
CHEMBL334213 | 121690 | 5 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 335 | 17 | 3 | 2 | 4.8 | CCCCCCCCCCCCCCNCCCP(=O)(O)O | 10.1021/jm0492507 | |||
44591264 | 186758 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 420 | 13 | 4 | 5 | 3.3 | CCCCCCCCOc1ccc(NC(=O)[C@@](C)(N)COP(=O)(O)O)c(F)c1 | 10.1016/j.bmcl.2008.11.072 | |||
CHEMBL474688 | 186758 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 420 | 13 | 4 | 5 | 3.3 | CCCCCCCCOc1ccc(NC(=O)[C@@](C)(N)COP(=O)(O)O)c(F)c1 | 10.1016/j.bmcl.2008.11.072 | |||
44344193 | 121690 | 5 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 335 | 17 | 3 | 2 | 4.8 | CCCCCCCCCCCCCCNCCCP(=O)(O)O | 10.1016/j.bmcl.2004.07.049 | |||
CHEMBL334213 | 121690 | 5 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 335 | 17 | 3 | 2 | 4.8 | CCCCCCCCCCCCCCNCCCP(=O)(O)O | 10.1016/j.bmcl.2004.07.049 | |||
10363915 | 141971 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 405 | 7 | 1 | 5 | 4.6 | CCC(C)(C)c1ccc(-c2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3)no2)cc1 | 10.1021/jm0503244 | |||
CHEMBL372066 | 141971 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 405 | 7 | 1 | 5 | 4.6 | CCC(C)(C)c1ccc(-c2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3)no2)cc1 | 10.1021/jm0503244 | |||
44394220 | 73777 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 375 | 15 | 3 | 2 | 5.8 | CCCCCCCCCCCCCCNC1CCCC(P(=O)(O)O)C1 | 10.1016/j.bmcl.2004.07.049 | |||
CHEMBL186921 | 73777 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 375 | 15 | 3 | 2 | 5.8 | CCCCCCCCCCCCCCNC1CCCC(P(=O)(O)O)C1 | 10.1016/j.bmcl.2004.07.049 | |||
59504172 | 133215 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 460 | 6 | 2 | 3 | 6.3 | O=C(NCc1ccc(F)c(F)c1)c1c(C2CCCC2)n(Cc2ccccc2)c2ccc(O)cc12 | nan | |||
CHEMBL3651725 | 133215 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 460 | 6 | 2 | 3 | 6.3 | O=C(NCc1ccc(F)c(F)c1)c1c(C2CCCC2)n(Cc2ccccc2)c2ccc(O)cc12 | nan | |||
44565622 | 186119 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 428 | 11 | 4 | 5 | 3.6 | C[C@](N)(COP(=O)(O)O)C(=O)Nc1ccc(OCCCCC2CCCCC2)cc1 | 10.1016/j.bmcl.2009.02.073 | |||
CHEMBL473562 | 186119 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 428 | 11 | 4 | 5 | 3.6 | C[C@](N)(COP(=O)(O)O)C(=O)Nc1ccc(OCCCCC2CCCCC2)cc1 | 10.1016/j.bmcl.2009.02.073 | |||
44413447 | 145461 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 431 | 6 | 2 | 5 | 5.6 | O=C(O)C[C@@H]1CN[C@@H](c2ccc(-c3noc(-c4ccc(C5CCCCC5)cc4)n3)cc2)C1 | 10.1016/j.bmcl.2006.03.090 | |||
CHEMBL377828 | 145461 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 431 | 6 | 2 | 5 | 5.6 | O=C(O)C[C@@H]1CN[C@@H](c2ccc(-c3noc(-c4ccc(C5CCCCC5)cc4)n3)cc2)C1 | 10.1016/j.bmcl.2006.03.090 | |||
25160740 | 133618 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 434 | 6 | 2 | 3 | 5.7 | CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(O)cc2n1Cc1ccccc1 | nan | |||
CHEMBL3655406 | 133618 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 434 | 6 | 2 | 3 | 5.7 | CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(O)cc2n1Cc1ccccc1 | nan | |||
25059747 | 133621 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 518 | 12 | 1 | 3 | 8.0 | CCCCCCOc1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccc3)c2c1 | nan | |||
CHEMBL3655409 | 133621 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 518 | 12 | 1 | 3 | 8.0 | CCCCCCOc1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccc3)c2c1 | nan | |||
49787250 | 133211 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 424 | 10 | 3 | 3 | 5.0 | CCCc1ccc(-c2ccc(CNCCCP(=O)(O)O)nc2-c2ccccc2)cc1 | nan | |||
CHEMBL3651721 | 133211 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 424 | 10 | 3 | 3 | 5.0 | CCCc1ccc(-c2ccc(CNCCCP(=O)(O)O)nc2-c2ccccc2)cc1 | nan | |||
24752909 | 133218 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 410 | 9 | 3 | 3 | 4.6 | CCc1ccc(-c2ccc(CNCCCP(=O)(O)O)nc2-c2ccccc2)cc1 | nan | |||
CHEMBL3651728 | 133218 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 410 | 9 | 3 | 3 | 4.6 | CCc1ccc(-c2ccc(CNCCCP(=O)(O)O)nc2-c2ccccc2)cc1 | nan | |||
44341466 | 16786 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 371 | 13 | 4 | 3 | 3.7 | CCCCCCCCc1ccc(CC[C@H](N)C[C@@H](O)P(=O)(O)O)cc1 | 10.1016/j.bmcl.2004.02.106 | |||
CHEMBL114976 | 16786 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 371 | 13 | 4 | 3 | 3.7 | CCCCCCCCc1ccc(CC[C@H](N)C[C@@H](O)P(=O)(O)O)cc1 | 10.1016/j.bmcl.2004.02.106 | |||
44341291 | 16909 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 371 | 13 | 4 | 3 | 3.7 | CCCCCCCCc1ccc(CC[C@H](N)C[C@H](O)P(=O)(O)O)cc1 | 10.1016/j.bmcl.2004.02.106 | |||
CHEMBL115714 | 16909 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 371 | 13 | 4 | 3 | 3.7 | CCCCCCCCc1ccc(CC[C@H](N)C[C@H](O)P(=O)(O)O)cc1 | 10.1016/j.bmcl.2004.02.106 | |||
44234006 | 134190 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 473 | 8 | 1 | 4 | 5.4 | C#CCOc1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccn3)c2c1 | nan | |||
CHEMBL3659688 | 134190 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 473 | 8 | 1 | 4 | 5.4 | C#CCOc1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccn3)c2c1 | nan | |||
46885745 | 15182 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 484 | 10 | 4 | 5 | 4.0 | Cc1cc(NC(=O)[C@@](C)(N)COP(=O)(O)O)ccc1OCCc1ccc(-c2ccccc2)cc1 | 10.1016/j.bmcl.2010.02.098 | |||
CHEMBL1093424 | 15182 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 484 | 10 | 4 | 5 | 4.0 | Cc1cc(NC(=O)[C@@](C)(N)COP(=O)(O)O)ccc1OCCc1ccc(-c2ccccc2)cc1 | 10.1016/j.bmcl.2010.02.098 | |||
59762297 | 133651 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 501 | 7 | 1 | 4 | 6.2 | CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(C3=N[C@@H](C)CO3)cc2n1Cc1ccccc1 | nan | |||
CHEMBL3655439 | 133651 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 501 | 7 | 1 | 4 | 6.2 | CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(C3=N[C@@H](C)CO3)cc2n1Cc1ccccc1 | nan | |||
25060265 | 133731 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 489 | 8 | 2 | 3 | 5.8 | CCNC(=O)c1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccc3)c2c1 | nan | |||
CHEMBL3655518 | 133731 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 489 | 8 | 2 | 3 | 5.8 | CCNC(=O)c1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccc3)c2c1 | nan | |||
24804606 | 133214 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 434 | 6 | 2 | 3 | 5.7 | CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2cc(O)ccc2n1Cc1ccccc1 | nan | |||
CHEMBL3651724 | 133214 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 434 | 6 | 2 | 3 | 5.7 | CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2cc(O)ccc2n1Cc1ccccc1 | nan | |||
59762420 | 133648 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 498 | 8 | 1 | 5 | 5.8 | CC[C@H]1COC(c2ccc3c(C(=O)NCc4cncc(F)c4)c(C(C)C)n(Cc4ccccc4)c3c2)=N1 | nan | |||
CHEMBL3655436 | 133648 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 498 | 8 | 1 | 5 | 5.8 | CC[C@H]1COC(c2ccc3c(C(=O)NCc4cncc(F)c4)c(C(C)C)n(Cc4ccccc4)c3c2)=N1 | nan | |||
10125882 | 172363 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 337 | 14 | 2 | 2 | 4.9 | CCCCCCCCCc1ccc(CNCC(F)CC(=O)O)cc1 | 10.1016/j.bmcl.2004.04.069 | |||
CHEMBL424254 | 172363 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 337 | 14 | 2 | 2 | 4.9 | CCCCCCCCCc1ccc(CNCC(F)CC(=O)O)cc1 | 10.1016/j.bmcl.2004.04.069 | |||
59762303 | 133638 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 481 | 8 | 1 | 6 | 5.2 | CCOC(=O)c1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ncco3)c2c1 | nan | |||
CHEMBL3655426 | 133638 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 481 | 8 | 1 | 6 | 5.2 | CCOC(=O)c1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ncco3)c2c1 | nan | |||
59762418 | 133645 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 487 | 7 | 1 | 4 | 5.8 | CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(C3=NCCO3)cc2n1Cc1ccccc1 | nan | |||
CHEMBL3655433 | 133645 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 487 | 7 | 1 | 4 | 5.8 | CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(C3=NCCO3)cc2n1Cc1ccccc1 | nan | |||
59762298 | 133680 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 518 | 8 | 1 | 4 | 6.6 | CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(OC3CCOCC3)cc2n1Cc1ccccc1 | nan | |||
CHEMBL3655467 | 133680 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 518 | 8 | 1 | 4 | 6.6 | CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(OC3CCOCC3)cc2n1Cc1ccccc1 | nan | |||
59762305 | 133682 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 519 | 8 | 1 | 5 | 6.0 | CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(OC3CCOCC3)cc2n1Cc1ccccn1 | nan | |||
CHEMBL3655469 | 133682 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 519 | 8 | 1 | 5 | 6.0 | CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(OC3CCOCC3)cc2n1Cc1ccccn1 | nan | |||
44233017 | 133733 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 501 | 8 | 1 | 3 | 6.6 | CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(CN3CCCC3)cc2n1Cc1ccccc1 | nan | |||
CHEMBL3655520 | 133733 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 501 | 8 | 1 | 3 | 6.6 | CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(CN3CCCC3)cc2n1Cc1ccccc1 | nan | |||
10125862 | 18397 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 335 | 14 | 3 | 3 | 3.9 | CCCCCCCCCc1ccc(CNCCC(O)C(=O)O)cc1 | 10.1016/j.bmcl.2004.04.069 | |||
CHEMBL118068 | 18397 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 335 | 14 | 3 | 3 | 3.9 | CCCCCCCCCc1ccc(CNCCC(O)C(=O)O)cc1 | 10.1016/j.bmcl.2004.04.069 | |||
44394248 | 73023 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 361 | 15 | 3 | 2 | 5.4 | CCCCCCCCCCCCCCNC1CCC(P(=O)(O)O)C1 | 10.1016/j.bmcl.2004.07.049 | |||
CHEMBL184591 | 73023 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 361 | 15 | 3 | 2 | 5.4 | CCCCCCCCCCCCCCNC1CCC(P(=O)(O)O)C1 | 10.1016/j.bmcl.2004.07.049 | |||
44565595 | 186050 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 476 | 10 | 4 | 6 | 3.8 | C[C@](N)(COP(=O)(O)O)C(=O)Nc1ccc(OCCc2ccc(-c3cccs3)cc2)cc1 | 10.1016/j.bmcl.2009.02.073 | |||
CHEMBL473016 | 186050 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 476 | 10 | 4 | 6 | 3.8 | C[C@](N)(COP(=O)(O)O)C(=O)Nc1ccc(OCCc2ccc(-c3cccs3)cc2)cc1 | 10.1016/j.bmcl.2009.02.073 | |||
59762320 | 133712 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 499 | 7 | 1 | 5 | 5.8 | CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(-c3ccnn3C)cc2n1Cc1ccccn1 | nan | |||
CHEMBL3655499 | 133712 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 499 | 7 | 1 | 5 | 5.8 | CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(-c3ccnn3C)cc2n1Cc1ccccn1 | nan | |||
59762432 | 133703 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 501 | 8 | 2 | 3 | 7.4 | CC(C)c1c(C(=O)NCc2cc(F)cc(F)c2)c2ccc(NC3CCCC3)cc2n1Cc1ccccc1 | nan | |||
CHEMBL3655490 | 133703 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 501 | 8 | 2 | 3 | 7.4 | CC(C)c1c(C(=O)NCc2cc(F)cc(F)c2)c2ccc(NC3CCCC3)cc2n1Cc1ccccc1 | nan | |||
59762280 | 133721 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 507 | 8 | 1 | 5 | 6.6 | Cc1cc(Cn2c(C(C)C)c(C(=O)NCc3ccc(F)c(F)c3)c3ccc(OC4CCCC4)cc32)no1 | nan | |||
CHEMBL3655508 | 133721 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 507 | 8 | 1 | 5 | 6.6 | Cc1cc(Cn2c(C(C)C)c(C(=O)NCc3ccc(F)c(F)c3)c3ccc(OC4CCCC4)cc32)no1 | nan | |||
44412165 | 84536 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 453 | 6 | 2 | 5 | 5.6 | O=C(O)C[C@@H]1CC[C@H](c2ccc(-c3noc(-c4ccc([C@@H]5CCC(F)(F)C5)cc4)n3)cc2)N1 | 10.1016/j.bmcl.2006.03.038 | |||
CHEMBL209076 | 84536 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 453 | 6 | 2 | 5 | 5.6 | O=C(O)C[C@@H]1CC[C@H](c2ccc(-c3noc(-c4ccc([C@@H]5CCC(F)(F)C5)cc4)n3)cc2)N1 | 10.1016/j.bmcl.2006.03.038 | |||
11503967 | 14793 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 482 | 10 | 4 | 5 | 3.9 | C[C@](N)(COP(=O)(O)O)C(=O)Nc1ccc(C(=O)CCc2ccc(-c3ccccc3)cc2)cc1 | 10.1016/j.bmcl.2010.02.098 | |||
CHEMBL1090796 | 14793 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 482 | 10 | 4 | 5 | 3.9 | C[C@](N)(COP(=O)(O)O)C(=O)Nc1ccc(C(=O)CCc2ccc(-c3ccccc3)cc2)cc1 | 10.1016/j.bmcl.2010.02.098 | |||
91433973 | 133670 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 492 | 9 | 1 | 6 | 5.9 | CC(C)Oc1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C(C)N=O)n(Cc3ccccn3)c2c1 | nan | |||
CHEMBL3655457 | 133670 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 492 | 9 | 1 | 6 | 5.9 | CC(C)Oc1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C(C)N=O)n(Cc3ccccn3)c2c1 | nan | |||
44233016 | 133633 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 478 | 9 | 1 | 4 | 6.0 | COCOc1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccc3)c2c1 | nan | |||
CHEMBL3655421 | 133633 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 478 | 9 | 1 | 4 | 6.0 | COCOc1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccc3)c2c1 | nan | |||
10193676 | 20511 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 355 | 14 | 2 | 2 | 5.2 | CCCCCCCCCc1ccc(CNCCC(F)(F)C(=O)O)cc1 | 10.1016/j.bmcl.2004.04.069 | |||
CHEMBL119516 | 20511 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 355 | 14 | 2 | 2 | 5.2 | CCCCCCCCCc1ccc(CNCCC(F)(F)C(=O)O)cc1 | 10.1016/j.bmcl.2004.04.069 | |||
59762407 | 133713 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 514 | 7 | 1 | 5 | 6.7 | Cc1noc(C)c1-c1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccn3)c2c1 | nan | |||
CHEMBL3655500 | 133713 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 514 | 7 | 1 | 5 | 6.7 | Cc1noc(C)c1-c1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccn3)c2c1 | nan | |||
59762390 | 133665 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 504 | 8 | 1 | 6 | 4.9 | CC(C)Oc1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C3=NCCO3)n(Cc3ccccn3)c2c1 | nan | |||
CHEMBL3655452 | 133665 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 504 | 8 | 1 | 6 | 4.9 | CC(C)Oc1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C3=NCCO3)n(Cc3ccccn3)c2c1 | nan | |||
59762449 | 133716 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 467 | 9 | 1 | 5 | 5.8 | CCCOc1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ncco3)c2c1 | nan | |||
CHEMBL3655503 | 133716 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 467 | 9 | 1 | 5 | 5.8 | CCCOc1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ncco3)c2c1 | nan | |||
25160865 | 133629 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 518 | 7 | 1 | 4 | 7.0 | CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(OC(=O)C(C)(C)C)cc2n1Cc1ccccc1 | nan | |||
CHEMBL3655417 | 133629 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 518 | 7 | 1 | 4 | 7.0 | CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(OC(=O)C(C)(C)C)cc2n1Cc1ccccc1 | nan | |||
25060538 | 133739 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 518 | 10 | 1 | 4 | 7.0 | CCCCOC(=O)c1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccc3)c2c1 | nan | |||
CHEMBL3655526 | 133739 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 518 | 10 | 1 | 4 | 7.0 | CCCCOC(=O)c1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccc3)c2c1 | nan | |||
44344413 | 117322 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 355 | 14 | 3 | 2 | 4.3 | CCCCCCCCc1ccc(CCNCCCP(=O)(O)O)cc1 | 10.1016/j.bmcl.2004.04.069 | |||
CHEMBL325193 | 117322 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 355 | 14 | 3 | 2 | 4.3 | CCCCCCCCc1ccc(CCNCCCP(=O)(O)O)cc1 | 10.1016/j.bmcl.2004.04.069 | |||
44394273 | 71352 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 395 | 12 | 3 | 2 | 5.6 | CCCCCCCCCc1ccc(CN[C@H]2CCC[C@H](P(=O)(O)O)C2)cc1 | 10.1016/j.bmcl.2004.07.049 | |||
CHEMBL181597 | 71352 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 395 | 12 | 3 | 2 | 5.6 | CCCCCCCCCc1ccc(CN[C@H]2CCC[C@H](P(=O)(O)O)C2)cc1 | 10.1016/j.bmcl.2004.07.049 | |||
10126584 | 20367 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 391 | 14 | 3 | 3 | 4.7 | CCCCCCCCOc1ccc(CNCCCP(=O)(O)O)cc1Cl | 10.1016/j.bmcl.2004.04.070 | |||
CHEMBL119413 | 20367 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 391 | 14 | 3 | 3 | 4.7 | CCCCCCCCOc1ccc(CNCCCP(=O)(O)O)cc1Cl | 10.1016/j.bmcl.2004.04.070 | |||
9796603 | 171100 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 307 | 14 | 3 | 2 | 4.2 | CCCCCCCCCCCCC(N)CCP(=O)(O)O | 10.1016/j.bmcl.2004.04.069 | |||
CHEMBL421234 | 171100 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 307 | 14 | 3 | 2 | 4.2 | CCCCCCCCCCCCC(N)CCP(=O)(O)O | 10.1016/j.bmcl.2004.04.069 | |||
127037694 | 143433 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 347 | 13 | 1 | 3 | 4.7 | CCCCCCCCCCOc1ccc(CN2CC(C(=O)O)C2)cc1 | 10.1021/acs.jmedchem.5b00928 | |||
CHEMBL3740062 | 143433 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 347 | 13 | 1 | 3 | 4.7 | CCCCCCCCCCOc1ccc(CN2CC(C(=O)O)C2)cc1 | 10.1021/acs.jmedchem.5b00928 | |||
59762318 | 133659 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 502 | 7 | 1 | 5 | 5.6 | CC(C)c1c(C(=O)NCc2cc(F)cc(F)c2)c2ccc(C3=N[C@@H](C)CO3)cc2n1Cc1ccccn1 | nan | |||
CHEMBL3655447 | 133659 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 502 | 7 | 1 | 5 | 5.6 | CC(C)c1c(C(=O)NCc2cc(F)cc(F)c2)c2ccc(C3=N[C@@H](C)CO3)cc2n1Cc1ccccn1 | nan | |||
44234761 | 133212 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 411 | 9 | 2 | 3 | 5.1 | CCc1ccc(-c2ccc(COCCCP(=O)(O)O)nc2-c2ccccc2)cc1 | nan | |||
CHEMBL3651722 | 133212 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 411 | 9 | 2 | 3 | 5.1 | CCc1ccc(-c2ccc(COCCCP(=O)(O)O)nc2-c2ccccc2)cc1 | nan | |||
11575787 | 77407 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 439 | 6 | 1 | 5 | 4.8 | O=C(O)C1CN(Cc2ccc(-c3noc(-c4ccc([C@@H]5CCC(F)(F)C5)cc4)n3)cc2)C1 | 10.1021/jm0503244 | |||
CHEMBL195014 | 77407 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 439 | 6 | 1 | 5 | 4.8 | O=C(O)C1CN(Cc2ccc(-c3noc(-c4ccc([C@@H]5CCC(F)(F)C5)cc4)n3)cc2)C1 | 10.1021/jm0503244 | |||
59762422 | 133691 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 468 | 8 | 1 | 3 | 7.0 | CC(C)Cn1c(C(C)C)c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(OC3CCCC3)cc21 | nan | |||
CHEMBL3655477 | 133691 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 468 | 8 | 1 | 3 | 7.0 | CC(C)Cn1c(C(C)C)c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(OC3CCCC3)cc21 | nan | |||
44394161 | 73799 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 389 | 16 | 2 | 2 | 6.1 | CCCCCCCCCCCCCC1CCCCN1CCCP(=O)(O)O | 10.1016/j.bmcl.2004.07.049 | |||
CHEMBL187061 | 73799 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 389 | 16 | 2 | 2 | 6.1 | CCCCCCCCCCCCCC1CCCCN1CCCP(=O)(O)O | 10.1016/j.bmcl.2004.07.049 | |||
59762398 | 133694 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 496 | 7 | 1 | 4 | 6.5 | CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(-c3ccncc3)cc2n1Cc1ccccn1 | nan | |||
CHEMBL3655480 | 133694 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 496 | 7 | 1 | 4 | 6.5 | CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(-c3ccncc3)cc2n1Cc1ccccn1 | nan | |||
44159394 | 133749 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 472 | 8 | 1 | 4 | 6.1 | CCOC(=O)c1ccc2c(C(=O)NCc3cccc(F)c3)c(C(C)C)n(Cc3ccccc3)c2c1 | nan | |||
CHEMBL3655536 | 133749 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 472 | 8 | 1 | 4 | 6.1 | CCOC(=O)c1ccc2c(C(=O)NCc3cccc(F)c3)c(C(C)C)n(Cc3ccccc3)c2c1 | nan | |||
11604577 | 79100 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 439 | 6 | 1 | 5 | 4.8 | O=C(O)C1CN(Cc2ccc(-c3noc(-c4ccc([C@H]5CCC(F)(F)C5)cc4)n3)cc2)C1 | 10.1021/jm0503244 | |||
CHEMBL198415 | 79100 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 439 | 6 | 1 | 5 | 4.8 | O=C(O)C1CN(Cc2ccc(-c3noc(-c4ccc([C@H]5CCC(F)(F)C5)cc4)n3)cc2)C1 | 10.1021/jm0503244 | |||
59762399 | 133647 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 484 | 7 | 1 | 5 | 5.4 | CC(C)c1c(C(=O)NCc2cncc(F)c2)c2ccc(C3=N[C@@H](C)CO3)cc2n1Cc1ccccc1 | nan | |||
CHEMBL3655435 | 133647 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 484 | 7 | 1 | 5 | 5.4 | CC(C)c1c(C(=O)NCc2cncc(F)c2)c2ccc(C3=N[C@@H](C)CO3)cc2n1Cc1ccccc1 | nan | |||
44233493 | 133750 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 472 | 8 | 1 | 4 | 6.1 | CCOC(=O)c1ccc2c(C(=O)NCc3ccc(F)cc3)c(C(C)C)n(Cc3ccccc3)c2c1 | nan | |||
CHEMBL3655537 | 133750 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 472 | 8 | 1 | 4 | 6.1 | CCOC(=O)c1ccc2c(C(=O)NCc3ccc(F)cc3)c(C(C)C)n(Cc3ccccc3)c2c1 | nan | |||
10174548 | 19573 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 507 | 18 | 3 | 4 | 6.0 | CCCCCCCCCCCOc1c(Br)cc(CNCCCP(=O)(O)O)cc1OC | 10.1016/j.bmcl.2004.04.070 | |||
CHEMBL118815 | 19573 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 507 | 18 | 3 | 4 | 6.0 | CCCCCCCCCCCOc1c(Br)cc(CNCCCP(=O)(O)O)cc1OC | 10.1016/j.bmcl.2004.04.070 | |||
11271470 | 144362 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 475 | 8 | 1 | 4 | 6.1 | CCc1cc(CN2CC(C(=O)O)C2)ccc1OCc1cc(-c2ccccc2)c(C(F)(F)F)s1 | 10.1021/jm0492507 | |||
CHEMBL375488 | 144362 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 475 | 8 | 1 | 4 | 6.1 | CCc1cc(CN2CC(C(=O)O)C2)ccc1OCc1cc(-c2ccccc2)c(C(F)(F)F)s1 | 10.1021/jm0492507 | |||
10309462 | 20404 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 385 | 14 | 3 | 3 | 4.7 | CCCCCCCCOc1c(C)cc(CNCCCP(=O)(O)O)cc1C | 10.1016/j.bmcl.2004.04.070 | |||
CHEMBL119440 | 20404 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 385 | 14 | 3 | 3 | 4.7 | CCCCCCCCOc1c(C)cc(CNCCCP(=O)(O)O)cc1C | 10.1016/j.bmcl.2004.04.070 | |||
59762317 | 133657 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 502 | 7 | 1 | 5 | 5.6 | CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(C3=N[C@@H](C)CO3)cc2n1Cc1cccnc1 | nan | |||
CHEMBL3655445 | 133657 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 502 | 7 | 1 | 5 | 5.6 | CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(C3=N[C@@H](C)CO3)cc2n1Cc1cccnc1 | nan | |||
59762406 | 133677 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 501 | 8 | 2 | 3 | 7.4 | CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(NC3CCCC3)cc2n1Cc1ccccc1 | nan | |||
CHEMBL3655464 | 133677 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 501 | 8 | 2 | 3 | 7.4 | CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(NC3CCCC3)cc2n1Cc1ccccc1 | nan | |||
44233494 | 133751 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 504 | 8 | 1 | 4 | 6.6 | CC(C)OC(=O)c1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccc3)c2c1 | nan | |||
CHEMBL3655538 | 133751 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 504 | 8 | 1 | 4 | 6.6 | CC(C)OC(=O)c1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccc3)c2c1 | nan | |||
46885796 | 15183 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 538 | 10 | 4 | 5 | 4.8 | C[C@](N)(COP(=O)(O)O)C(=O)Nc1ccc(OCCc2ccc(-c3ccccc3)cc2)c(C(F)(F)F)c1 | 10.1016/j.bmcl.2010.02.098 | |||
CHEMBL1093429 | 15183 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 538 | 10 | 4 | 5 | 4.8 | C[C@](N)(COP(=O)(O)O)C(=O)Nc1ccc(OCCc2ccc(-c3ccccc3)cc2)c(C(F)(F)F)c1 | 10.1016/j.bmcl.2010.02.098 | |||
44344270 | 116893 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 395 | 13 | 3 | 5 | 3.9 | CCCCCCCc1nc(-c2ccc(CNCCCP(=O)(O)O)cc2)no1 | 10.1016/j.bmcl.2004.04.070 | |||
CHEMBL323617 | 116893 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 395 | 13 | 3 | 5 | 3.9 | CCCCCCCc1nc(-c2ccc(CNCCCP(=O)(O)O)cc2)no1 | 10.1016/j.bmcl.2004.04.070 | |||
59762335 | 133652 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 531 | 9 | 1 | 5 | 5.8 | COC[C@H]1COC(c2ccc3c(C(=O)NCc4ccc(F)c(F)c4)c(C(C)C)n(Cc4ccccc4)c3c2)=N1 | nan | |||
CHEMBL3655440 | 133652 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 531 | 9 | 1 | 5 | 5.8 | COC[C@H]1COC(c2ccc3c(C(=O)NCc4ccc(F)c(F)c4)c(C(C)C)n(Cc4ccccc4)c3c2)=N1 | nan | |||
44413365 | 84157 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 467 | 6 | 2 | 5 | 5.8 | O=C(O)C[C@@H]1CN[C@@H](c2ccc(-c3noc(-c4ccc(C5CCC(F)(F)CC5)cc4)n3)cc2)C1 | 10.1016/j.bmcl.2006.03.090 | |||
CHEMBL208648 | 84157 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 467 | 6 | 2 | 5 | 5.8 | O=C(O)C[C@@H]1CN[C@@H](c2ccc(-c3noc(-c4ccc(C5CCC(F)(F)CC5)cc4)n3)cc2)C1 | 10.1016/j.bmcl.2006.03.090 | |||
44344446 | 121599 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 349 | 17 | 3 | 2 | 5.4 | CCCCCCCCCCCCCCCC(N)CCP(=O)(O)O | 10.1016/j.bmcl.2004.04.069 | |||
CHEMBL334144 | 121599 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 349 | 17 | 3 | 2 | 5.4 | CCCCCCCCCCCCCCCC(N)CCP(=O)(O)O | 10.1016/j.bmcl.2004.04.069 | |||
59762347 | 133646 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 515 | 7 | 1 | 4 | 6.6 | CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(C3=NC(C)(C)CO3)cc2n1Cc1ccccc1 | nan | |||
CHEMBL3655434 | 133646 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 515 | 7 | 1 | 4 | 6.6 | CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(C3=NC(C)(C)CO3)cc2n1Cc1ccccc1 | nan | |||
59762321 | 133661 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 484 | 7 | 1 | 5 | 5.4 | CC(C)c1c(C(=O)NCc2ccc(F)cc2)c2ccc(C3=N[C@@H](C)CO3)cc2n1Cc1ccccn1 | nan | |||
CHEMBL3655449 | 133661 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 484 | 7 | 1 | 5 | 5.4 | CC(C)c1c(C(=O)NCc2ccc(F)cc2)c2ccc(C3=N[C@@H](C)CO3)cc2n1Cc1ccccn1 | nan | |||
59762323 | 133681 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 536 | 8 | 1 | 5 | 6.9 | CC(C)c1c(C(=O)NCc2ccc(C(F)(F)F)nc2)c2ccc(OC3CCCC3)cc2n1Cc1ccccn1 | nan | |||
CHEMBL3655468 | 133681 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 536 | 8 | 1 | 5 | 6.9 | CC(C)c1c(C(=O)NCc2ccc(C(F)(F)F)nc2)c2ccc(OC3CCCC3)cc2n1Cc1ccccn1 | nan | |||
44413274 | 145489 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 447 | 6 | 2 | 4 | 5.7 | O=C(O)C1CNC(c2ccc(OCc3cc(-c4ccccc4)c(C(F)(F)F)s3)cc2)C1 | 10.1016/j.bmcl.2006.03.090 | |||
CHEMBL377968 | 145489 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 447 | 6 | 2 | 4 | 5.7 | O=C(O)C1CNC(c2ccc(OCc3cc(-c4ccccc4)c(C(F)(F)F)s3)cc2)C1 | 10.1016/j.bmcl.2006.03.090 | |||
59762313 | 133666 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 463 | 8 | 1 | 5 | 4.9 | CC(C)Oc1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C=O)n(Cc3ccccn3)c2c1 | nan | |||
CHEMBL3655453 | 133666 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 463 | 8 | 1 | 5 | 4.9 | CC(C)Oc1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C=O)n(Cc3ccccn3)c2c1 | nan | |||
59762322 | 133649 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 501 | 7 | 1 | 4 | 6.2 | CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(C3=N[C@H](C)CO3)cc2n1Cc1ccccc1 | nan | |||
CHEMBL3655437 | 133649 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 501 | 7 | 1 | 4 | 6.2 | CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(C3=N[C@H](C)CO3)cc2n1Cc1ccccc1 | nan | |||
101863648 | 165266 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 303 | 10 | 1 | 2 | 4.1 | CCCCCCCCc1ccc(CN2CC(C(=O)O)C2)cc1 | 10.1021/acs.jmedchem.6b01575 | |||
CHEMBL4090982 | 165266 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 303 | 10 | 1 | 2 | 4.1 | CCCCCCCCc1ccc(CN2CC(C(=O)O)C2)cc1 | 10.1021/acs.jmedchem.6b01575 | |||
10149721 | 91872 | 5 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 317 | 11 | 1 | 2 | 4.5 | CCCCCCCCCc1ccc(CN2CC(C(=O)O)C2)cc1 | 10.1021/jm0492507 | |||
CHEMBL224623 | 91872 | 5 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 317 | 11 | 1 | 2 | 4.5 | CCCCCCCCCc1ccc(CN2CC(C(=O)O)C2)cc1 | 10.1021/jm0492507 | |||
25059488 | 133203 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 476 | 9 | 1 | 3 | 6.8 | CCCOc1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccc3)c2c1 | nan | |||
CHEMBL3651714 | 133203 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 476 | 9 | 1 | 3 | 6.8 | CCCOc1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccc3)c2c1 | nan | |||
25059488 | 133203 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 476 | 9 | 1 | 3 | 6.8 | CCCOc1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccc3)c2c1 | nan | |||
CHEMBL3651714 | 133203 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 476 | 9 | 1 | 3 | 6.8 | CCCOc1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccc3)c2c1 | nan | |||
59762293 | 133686 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 518 | 8 | 1 | 6 | 6.7 | CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(Oc3nccs3)cc2n1Cc1ccccn1 | nan | |||
CHEMBL3655472 | 133686 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 518 | 8 | 1 | 6 | 6.7 | CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(Oc3nccs3)cc2n1Cc1ccccn1 | nan | |||
59762353 | 133689 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 503 | 8 | 1 | 4 | 6.7 | CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(OC3CCCC3)cc2n1Cc1cccnc1 | nan | |||
CHEMBL3655475 | 133689 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 503 | 8 | 1 | 4 | 6.7 | CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(OC3CCCC3)cc2n1Cc1cccnc1 | nan | |||
44234256 | 134191 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 491 | 9 | 1 | 4 | 6.5 | CC(C)COc1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccn3)c2c1 | nan | |||
CHEMBL3659689 | 134191 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 491 | 9 | 1 | 4 | 6.5 | CC(C)COc1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccn3)c2c1 | nan | |||
44394279 | 73924 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 375 | 16 | 3 | 2 | 5.8 | CCCCCCCCCCCCCC[C@H]1CC[C@H](CCP(=O)(O)O)N1 | 10.1016/j.bmcl.2004.07.049 | |||
CHEMBL187588 | 73924 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 375 | 16 | 3 | 2 | 5.8 | CCCCCCCCCCCCCC[C@H]1CC[C@H](CCP(=O)(O)O)N1 | 10.1016/j.bmcl.2004.07.049 | |||
44591265 | 186760 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 425 | 13 | 4 | 5 | 4.1 | CCCCCCCCOc1ccc(-c2c[nH]c([C@@](C)(N)COP(=O)(O)O)n2)cc1 | 10.1016/j.bmcl.2008.11.072 | |||
CHEMBL474689 | 186760 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 425 | 13 | 4 | 5 | 4.1 | CCCCCCCCOc1ccc(-c2c[nH]c([C@@](C)(N)COP(=O)(O)O)n2)cc1 | 10.1016/j.bmcl.2008.11.072 | |||
44591266 | 186079 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 443 | 13 | 4 | 5 | 4.2 | CCCCCCCCOc1ccc(-c2c[nH]c([C@@](C)(N)COP(=O)(O)O)n2)cc1F | 10.1016/j.bmcl.2008.11.072 | |||
CHEMBL473269 | 186079 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 443 | 13 | 4 | 5 | 4.2 | CCCCCCCCOc1ccc(-c2c[nH]c([C@@](C)(N)COP(=O)(O)O)n2)cc1F | 10.1016/j.bmcl.2008.11.072 | |||
44591249 | 187415 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 402 | 13 | 4 | 5 | 3.2 | CCCCCCCCOc1ccc(NC(=O)[C@@](C)(N)COP(=O)(O)O)cc1 | 10.1016/j.bmcl.2008.11.072 | |||
CHEMBL475495 | 187415 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 402 | 13 | 4 | 5 | 3.2 | CCCCCCCCOc1ccc(NC(=O)[C@@](C)(N)COP(=O)(O)O)cc1 | 10.1016/j.bmcl.2008.11.072 | |||
44591250 | 196533 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 420 | 13 | 4 | 5 | 3.3 | CCCCCCCCOc1ccc(NC(=O)[C@@](C)(N)COP(=O)(O)O)cc1F | 10.1016/j.bmcl.2008.11.072 | |||
CHEMBL515921 | 196533 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 420 | 13 | 4 | 5 | 3.3 | CCCCCCCCOc1ccc(NC(=O)[C@@](C)(N)COP(=O)(O)O)cc1F | 10.1016/j.bmcl.2008.11.072 | |||
44565712 | 196592 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 484 | 10 | 4 | 5 | 4.0 | Cc1ccccc1-c1ccc(CCOc2ccc(NC(=O)[C@@](C)(N)COP(=O)(O)O)cc2)cc1 | 10.1016/j.bmcl.2009.02.073 | |||
CHEMBL516380 | 196592 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 484 | 10 | 4 | 5 | 4.0 | Cc1ccccc1-c1ccc(CCOc2ccc(NC(=O)[C@@](C)(N)COP(=O)(O)O)cc2)cc1 | 10.1016/j.bmcl.2009.02.073 | |||
59762319 | 133698 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 464 | 7 | 1 | 5 | 5.3 | CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc([N+](=O)[O-])cc2n1Cc1ccccn1 | nan | |||
CHEMBL3655484 | 133698 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 464 | 7 | 1 | 5 | 5.3 | CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc([N+](=O)[O-])cc2n1Cc1ccccn1 | nan | |||
59762282 | 133644 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 499 | 8 | 2 | 3 | 5.4 | C#CCNC(=O)c1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccc3)c2c1 | nan | |||
CHEMBL3655432 | 133644 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 499 | 8 | 2 | 3 | 5.4 | C#CCNC(=O)c1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccc3)c2c1 | nan | |||
59762349 | 133676 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 501 | 7 | 1 | 3 | 6.1 | CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(N3CCCC3=O)cc2n1Cc1ccccc1 | nan | |||
CHEMBL3655463 | 133676 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 501 | 7 | 1 | 3 | 6.1 | CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(N3CCCC3=O)cc2n1Cc1ccccc1 | nan | |||
59762413 | 133707 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 469 | 8 | 2 | 3 | 6.8 | CC(C)c1c(C(=O)NCc2ccc(F)cc2)c2ccc(NC3CCC3)cc2n1Cc1ccccc1 | nan | |||
CHEMBL3655494 | 133707 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 469 | 8 | 2 | 3 | 6.8 | CC(C)c1c(C(=O)NCc2ccc(F)cc2)c2ccc(NC3CCC3)cc2n1Cc1ccccc1 | nan | |||
72555272 | 133710 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 475 | 8 | 1 | 4 | 6.1 | C=C(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(OC(C)C)cc2n1Cc1ccccn1 | nan | |||
CHEMBL3655497 | 133710 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 475 | 8 | 1 | 4 | 6.1 | C=C(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(OC(C)C)cc2n1Cc1ccccn1 | nan | |||
44394211 | 73937 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 375 | 14 | 2 | 3 | 5.4 | CCCCCCCCCCCCCCN1CCC(O)(P(C)(=O)O)CC1 | 10.1016/j.bmcl.2004.07.049 | |||
CHEMBL187645 | 73937 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 375 | 14 | 2 | 3 | 5.4 | CCCCCCCCCCCCCCN1CCC(O)(P(C)(=O)O)CC1 | 10.1016/j.bmcl.2004.07.049 | |||
10271422 | 16709 | 1 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 385 | 14 | 4 | 3 | 3.8 | CCCCCCCCc1ccc(CCC(N)(CO)CCP(=O)(O)O)cc1 | 10.1016/j.bmcl.2004.02.106 | |||
CHEMBL114584 | 16709 | 1 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 385 | 14 | 4 | 3 | 3.8 | CCCCCCCCc1ccc(CCC(N)(CO)CCP(=O)(O)O)cc1 | 10.1016/j.bmcl.2004.02.106 | |||
127037696 | 143585 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 305 | 10 | 1 | 3 | 3.6 | CCCCCCCOc1ccc(CN2CC(C(=O)O)C2)cc1 | 10.1021/acs.jmedchem.5b00928 | |||
CHEMBL3741496 | 143585 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 305 | 10 | 1 | 3 | 3.6 | CCCCCCCOc1ccc(CN2CC(C(=O)O)C2)cc1 | 10.1021/acs.jmedchem.5b00928 | |||
59762429 | 133718 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 508 | 8 | 1 | 7 | 6.3 | CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(Oc3nccs3)cc2n1Cc1ncco1 | nan | |||
CHEMBL3655505 | 133718 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 508 | 8 | 1 | 7 | 6.3 | CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(Oc3nccs3)cc2n1Cc1ncco1 | nan | |||
10127475 | 172808 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 447 | 7 | 1 | 4 | 5.5 | O=C(O)C1CN(Cc2ccc(OCc3cc(-c4ccccc4)c(C(F)(F)F)s3)cc2)C1 | 10.1016/j.bmcl.2006.03.090 | |||
CHEMBL425563 | 172808 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 447 | 7 | 1 | 4 | 5.5 | O=C(O)C1CN(Cc2ccc(OCc3cc(-c4ccccc4)c(C(F)(F)F)s3)cc2)C1 | 10.1016/j.bmcl.2006.03.090 | |||
10127475 | 172808 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 447 | 7 | 1 | 4 | 5.5 | O=C(O)C1CN(Cc2ccc(OCc3cc(-c4ccccc4)c(C(F)(F)F)s3)cc2)C1 | 10.1021/jm0492507 | |||
CHEMBL425563 | 172808 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 447 | 7 | 1 | 4 | 5.5 | O=C(O)C1CN(Cc2ccc(OCc3cc(-c4ccccc4)c(C(F)(F)F)s3)cc2)C1 | 10.1021/jm0492507 | |||
59762336 | 133720 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 439 | 6 | 2 | 5 | 5.0 | Cc1cc(Cn2c(C(C)C)c(C(=O)NCc3ccc(F)c(F)c3)c3ccc(O)cc32)no1 | nan | |||
CHEMBL3655507 | 133720 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 439 | 6 | 2 | 5 | 5.0 | Cc1cc(Cn2c(C(C)C)c(C(=O)NCc3ccc(F)c(F)c3)c3ccc(O)cc32)no1 | nan | |||
54582607 | 69233 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 375 | 3 | 2 | 3 | 5.8 | Cc1cc(O)cc(C)c1NC(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1 | 10.1016/j.bmcl.2011.04.097 | |||
CHEMBL1779895 | 69233 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 375 | 3 | 2 | 3 | 5.8 | Cc1cc(O)cc(C)c1NC(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1 | 10.1016/j.bmcl.2011.04.097 | |||
44344298 | 20316 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 395 | 13 | 3 | 6 | 3.0 | CCCCCCCn1nnc(-c2ccc(CNCCCP(=O)(O)O)cc2)n1 | 10.1016/j.bmcl.2004.04.070 | |||
CHEMBL119382 | 20316 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 395 | 13 | 3 | 6 | 3.0 | CCCCCCCn1nnc(-c2ccc(CNCCCP(=O)(O)O)cc2)n1 | 10.1016/j.bmcl.2004.04.070 | |||
59762414 | 133693 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 486 | 8 | 1 | 5 | 6.0 | CC(C)c1c(C(=O)NCc2cncc(F)c2)c2ccc(OC3CCCC3)cc2n1Cc1cccnc1 | nan | |||
CHEMBL3655479 | 133693 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 486 | 8 | 1 | 5 | 6.0 | CC(C)c1c(C(=O)NCc2cncc(F)c2)c2ccc(OC3CCCC3)cc2n1Cc1cccnc1 | nan | |||
44159276 | 133617 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 448 | 7 | 1 | 3 | 6.0 | COc1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccc3)c2c1 | nan | |||
CHEMBL3655405 | 133617 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 448 | 7 | 1 | 3 | 6.0 | COc1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccc3)c2c1 | nan | |||
44234002 | 134186 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 491 | 8 | 1 | 5 | 5.6 | CCOC(=O)c1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccn3)c2c1 | nan | |||
CHEMBL3659684 | 134186 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 491 | 8 | 1 | 5 | 5.6 | CCOC(=O)c1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccn3)c2c1 | nan | |||
59762364 | 133711 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 497 | 7 | 1 | 5 | 5.9 | CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(-c3cncnc3)cc2n1Cc1ccccn1 | nan | |||
CHEMBL3655498 | 133711 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 497 | 7 | 1 | 5 | 5.9 | CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(-c3cncnc3)cc2n1Cc1ccccn1 | nan | |||
10317453 | 77193 | 0 | None | - | 0 | Human | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | 377 | 7 | 1 | 5 | 3.9 | CCCc1ccc(-c2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3)no2)cc1 | 10.1021/jm0503244 | |||
CHEMBL194578 | 77193 | 0 | None | - | 0 | Human | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | 377 | 7 | 1 | 5 | 3.9 | CCCc1ccc(-c2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3)no2)cc1 | 10.1021/jm0503244 | |||
59762338 | 131195 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 486 | 7 | 1 | 5 | 6.1 | CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(-c3nnco3)cc2n1Cc1ccccc1 | nan | |||
CHEMBL3639543 | 131195 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 486 | 7 | 1 | 5 | 6.1 | CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(-c3nnco3)cc2n1Cc1ccccc1 | nan | |||
10150372 | 119685 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 371 | 14 | 3 | 3 | 4.4 | CCCCCCCCOc1ccc(CNCCCP(=O)(O)O)cc1C | 10.1016/j.bmcl.2004.04.070 | |||
CHEMBL331054 | 119685 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 371 | 14 | 3 | 3 | 4.4 | CCCCCCCCOc1ccc(CNCCCP(=O)(O)O)cc1C | 10.1016/j.bmcl.2004.04.070 | |||
44565739 | 185739 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 459 | 12 | 4 | 5 | 4.2 | C[C@](N)(COP(=O)(O)O)c1nc(-c2ccc(OCCCCCc3ccccc3)cc2)c[nH]1 | 10.1016/j.bmcl.2009.02.073 | |||
CHEMBL470511 | 185739 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 459 | 12 | 4 | 5 | 4.2 | C[C@](N)(COP(=O)(O)O)c1nc(-c2ccc(OCCCCCc3ccccc3)cc2)c[nH]1 | 10.1016/j.bmcl.2009.02.073 | |||
25059745 | 133204 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 476 | 8 | 1 | 3 | 6.8 | CC(C)Oc1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccc3)c2c1 | nan | |||
CHEMBL3651715 | 133204 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 476 | 8 | 1 | 3 | 6.8 | CC(C)Oc1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccc3)c2c1 | nan | |||
25059745 | 133204 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 476 | 8 | 1 | 3 | 6.8 | CC(C)Oc1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccc3)c2c1 | nan | |||
CHEMBL3651715 | 133204 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 476 | 8 | 1 | 3 | 6.8 | CC(C)Oc1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccc3)c2c1 | nan | |||
25060000 | 133626 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 504 | 8 | 1 | 4 | 6.2 | CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(OC3CCOC3)cc2n1Cc1ccccc1 | nan | |||
CHEMBL3655414 | 133626 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 504 | 8 | 1 | 4 | 6.2 | CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(OC3CCOC3)cc2n1Cc1ccccc1 | nan | |||
44233020 | 133634 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 504 | 8 | 1 | 4 | 6.5 | CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(OC3CCCO3)cc2n1Cc1ccccc1 | nan | |||
CHEMBL3655422 | 133634 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 504 | 8 | 1 | 4 | 6.5 | CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(OC3CCCO3)cc2n1Cc1ccccc1 | nan | |||
24812110 | 17522 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 373 | 13 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(CCC(N)(CO)OP(=O)(O)O)cc1 | 10.1016/j.bmcl.2004.04.069 | |||
CHEMBL117130 | 17522 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 373 | 13 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(CCC(N)(CO)OP(=O)(O)O)cc1 | 10.1016/j.bmcl.2004.04.069 | |||
11452022 | 10368 | 39 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CC[C@@](COP(=O)(O)O)(CO)N | 10.1021/ml100227q | |||
6996 | 10368 | 39 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CC[C@@](COP(=O)(O)O)(CO)N | 10.1021/ml100227q | |||
CHEMBL366208 | 10368 | 39 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CC[C@@](COP(=O)(O)O)(CO)N | 10.1021/ml100227q | |||
2924 | 8421 | 43 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N | 10.1021/jm0492507 | |||
44398069 | 8421 | 43 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N | 10.1021/jm0492507 | |||
9908268 | 8421 | 43 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N | 10.1021/jm0492507 | |||
CHEMBL114606 | 8421 | 43 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N | 10.1021/jm0492507 | |||
2924 | 8421 | 43 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N | 10.1016/j.bmcl.2004.02.106 | |||
44398069 | 8421 | 43 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N | 10.1016/j.bmcl.2004.02.106 | |||
9908268 | 8421 | 43 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N | 10.1016/j.bmcl.2004.02.106 | |||
CHEMBL114606 | 8421 | 43 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N | 10.1016/j.bmcl.2004.02.106 | |||
46905530 | 17064 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 389 | 14 | 5 | 6 | 2.6 | CCCCCCCCc1ccc(CCC(N)(CO)CO[PH](O)(O)O)cc1 | 10.1016/j.bmcl.2004.07.049 | |||
CHEMBL1161691 | 17064 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 389 | 14 | 5 | 6 | 2.6 | CCCCCCCCc1ccc(CCC(N)(CO)CO[PH](O)(O)O)cc1 | 10.1016/j.bmcl.2004.07.049 | |||
25059749 | 133624 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 492 | 10 | 1 | 4 | 6.0 | COCCOc1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccc3)c2c1 | nan | |||
CHEMBL3655412 | 133624 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 492 | 10 | 1 | 4 | 6.0 | COCCOc1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccc3)c2c1 | nan | |||
10173327 | 17824 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 421 | 15 | 3 | 4 | 4.7 | CCCCCCCCOc1c(Cl)cc(CNCCCP(=O)(O)O)cc1OC | 10.1016/j.bmcl.2004.04.070 | |||
CHEMBL117715 | 17824 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 421 | 15 | 3 | 4 | 4.7 | CCCCCCCCOc1c(Cl)cc(CNCCCP(=O)(O)O)cc1OC | 10.1016/j.bmcl.2004.04.070 | |||
9885762 | 16506 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 371 | 13 | 4 | 3 | 3.7 | CCCCCCCCc1ccc(CCC(N)CC(O)P(=O)(O)O)cc1 | 10.1016/j.bmcl.2004.02.106 | |||
CHEMBL113344 | 16506 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 371 | 13 | 4 | 3 | 3.7 | CCCCCCCCc1ccc(CCC(N)CC(O)P(=O)(O)O)cc1 | 10.1016/j.bmcl.2004.02.106 | |||
11690779 | 196494 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 442 | 8 | 4 | 5 | 3.9 | C[C@](N)(COP(=O)(O)O)C(=O)Nc1ccc(Oc2ccc(-c3ccccc3)cc2)cc1 | 10.1016/j.bmcl.2009.02.073 | |||
CHEMBL515603 | 196494 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 442 | 8 | 4 | 5 | 3.9 | C[C@](N)(COP(=O)(O)O)C(=O)Nc1ccc(Oc2ccc(-c3ccccc3)cc2)cc1 | 10.1016/j.bmcl.2009.02.073 | |||
59762379 | 133664 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 492 | 9 | 1 | 5 | 5.1 | CC(C)Oc1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(CN(C)C)n(Cc3ccccn3)c2c1 | nan | |||
CHEMBL3655451 | 133664 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 492 | 9 | 1 | 5 | 5.1 | CC(C)Oc1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(CN(C)C)n(Cc3ccccn3)c2c1 | nan | |||
25060264 | 133730 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 503 | 8 | 2 | 3 | 6.2 | CC(C)NC(=O)c1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccc3)c2c1 | nan | |||
CHEMBL3655517 | 133730 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 503 | 8 | 2 | 3 | 6.2 | CC(C)NC(=O)c1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccc3)c2c1 | nan | |||
59762294 | 133687 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 435 | 6 | 2 | 4 | 5.1 | CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(O)cc2n1Cc1cccnc1 | nan | |||
CHEMBL3655473 | 133687 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 435 | 6 | 2 | 4 | 5.1 | CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(O)cc2n1Cc1cccnc1 | nan | |||
10125714 | 117294 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 319 | 13 | 2 | 2 | 4.7 | CCCCCCCCc1ccc(CCC(N)CCC(=O)O)cc1 | 10.1016/j.bmcl.2004.02.106 | |||
CHEMBL325050 | 117294 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 319 | 13 | 2 | 2 | 4.7 | CCCCCCCCc1ccc(CCC(N)CCC(=O)O)cc1 | 10.1016/j.bmcl.2004.02.106 | |||
59762300 | 133708 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 488 | 8 | 2 | 4 | 6.4 | CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(NC3CCC3)cc2n1Cc1ccccn1 | nan | |||
CHEMBL3655495 | 133708 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 488 | 8 | 2 | 4 | 6.4 | CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(NC3CCC3)cc2n1Cc1ccccn1 | nan | |||
44412415 | 84953 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 419 | 8 | 2 | 5 | 5.3 | CC(C)Cc1ccc(-c2nc(-c3ccc([C@@H]4CC[C@@H](CCC(=O)O)N4)cc3)no2)cc1 | 10.1016/j.bmcl.2006.03.038 | |||
CHEMBL210468 | 84953 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 419 | 8 | 2 | 5 | 5.3 | CC(C)Cc1ccc(-c2nc(-c3ccc([C@@H]4CC[C@@H](CCC(=O)O)N4)cc3)no2)cc1 | 10.1016/j.bmcl.2006.03.038 | |||
44233747 | 134183 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 603 | 8 | 1 | 5 | 7.4 | CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(OC3CCN(C(=O)OC(C)(C)C)C3)cc2n1Cc1ccccc1 | nan | |||
CHEMBL3659681 | 134183 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 603 | 8 | 1 | 5 | 7.4 | CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(OC3CCN(C(=O)OC(C)(C)C)C3)cc2n1Cc1ccccc1 | nan | |||
10172545 | 16397 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 371 | 13 | 4 | 3 | 3.4 | CCCCCCCCc1ccc(CCC(N)C(O)CP(=O)(O)O)cc1 | 10.1016/j.bmcl.2004.02.106 | |||
CHEMBL112655 | 16397 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 371 | 13 | 4 | 3 | 3.4 | CCCCCCCCc1ccc(CCC(N)C(O)CP(=O)(O)O)cc1 | 10.1016/j.bmcl.2004.02.106 | |||
59762315 | 133667 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 465 | 8 | 2 | 5 | 4.6 | CC(C)Oc1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(CO)n(Cc3ccccn3)c2c1 | nan | |||
CHEMBL3655454 | 133667 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 465 | 8 | 2 | 5 | 4.6 | CC(C)Oc1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(CO)n(Cc3ccccn3)c2c1 | nan | |||
59762403 | 133641 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 473 | 8 | 1 | 5 | 5.5 | CCOC(=O)c1ccc2c(C(=O)NCc3ccc(F)cc3)c(C(C)C)n(Cc3ccccn3)c2c1 | nan | |||
CHEMBL3655429 | 133641 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 473 | 8 | 1 | 5 | 5.5 | CCOC(=O)c1ccc2c(C(=O)NCc3ccc(F)cc3)c(C(C)C)n(Cc3ccccn3)c2c1 | nan | |||
44413349 | 84414 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 453 | 6 | 2 | 5 | 5.4 | O=C(O)C[C@@H]1CN[C@@H](c2ccc(-c3noc(-c4ccc([C@@H]5CCC(F)(F)C5)cc4)n3)cc2)C1 | 10.1016/j.bmcl.2006.03.090 | |||
CHEMBL208838 | 84414 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 453 | 6 | 2 | 5 | 5.4 | O=C(O)C[C@@H]1CN[C@@H](c2ccc(-c3noc(-c4ccc([C@@H]5CCC(F)(F)C5)cc4)n3)cc2)C1 | 10.1016/j.bmcl.2006.03.090 | |||
10271422 | 16709 | 1 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 385 | 14 | 4 | 3 | 3.8 | CCCCCCCCc1ccc(CCC(N)(CO)CCP(=O)(O)O)cc1 | 10.1021/acs.jmedchem.6b01575 | |||
CHEMBL114584 | 16709 | 1 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 385 | 14 | 4 | 3 | 3.8 | CCCCCCCCc1ccc(CCC(N)(CO)CCP(=O)(O)O)cc1 | 10.1021/acs.jmedchem.6b01575 | |||
25060002 | 133635 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 490 | 8 | 1 | 4 | 6.2 | CCOC(=O)c1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccc3)c2c1 | nan | |||
CHEMBL3655423 | 133635 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 490 | 8 | 1 | 4 | 6.2 | CCOC(=O)c1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccc3)c2c1 | nan | |||
69228911 | 133655 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 516 | 8 | 1 | 5 | 6.0 | CC[C@H]1COC(c2ccc3c(C(=O)NCc4ccc(F)c(F)c4)c(C(C)C)n(Cc4ccccn4)c3c2)=N1 | nan | |||
CHEMBL3655443 | 133655 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 516 | 8 | 1 | 5 | 6.0 | CC[C@H]1COC(c2ccc3c(C(=O)NCc4ccc(F)c(F)c4)c(C(C)C)n(Cc4ccccn4)c3c2)=N1 | nan | |||
59762358 | 133695 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 489 | 8 | 1 | 4 | 6.3 | CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(OC3CCC3)cc2n1Cc1cccnc1 | nan | |||
CHEMBL3655481 | 133695 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 489 | 8 | 1 | 4 | 6.3 | CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(OC3CCC3)cc2n1Cc1cccnc1 | nan | |||
44394212 | 73944 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 373 | 15 | 2 | 2 | 6.5 | CCCCCCCCCCCCCC1CCCC(CCP(C)(=O)O)N1 | 10.1016/j.bmcl.2004.07.049 | |||
CHEMBL187692 | 73944 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 373 | 15 | 2 | 2 | 6.5 | CCCCCCCCCCCCCC1CCCC(CCP(C)(=O)O)N1 | 10.1016/j.bmcl.2004.07.049 | |||
59762417 | 133704 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 483 | 8 | 2 | 3 | 7.2 | CC(C)c1c(C(=O)NCc2ccc(F)cc2)c2ccc(NC3CCCC3)cc2n1Cc1ccccc1 | nan | |||
CHEMBL3655491 | 133704 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 483 | 8 | 2 | 3 | 7.2 | CC(C)c1c(C(=O)NCc2ccc(F)cc2)c2ccc(NC3CCCC3)cc2n1Cc1ccccc1 | nan | |||
59762438 | 133705 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 484 | 8 | 2 | 4 | 6.6 | CC(C)c1c(C(=O)NCc2cncc(F)c2)c2ccc(NC3CCCC3)cc2n1Cc1ccccc1 | nan | |||
CHEMBL3655492 | 133705 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 484 | 8 | 2 | 4 | 6.6 | CC(C)c1c(C(=O)NCc2cncc(F)c2)c2ccc(NC3CCCC3)cc2n1Cc1ccccc1 | nan | |||
46885797 | 14802 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 538 | 10 | 4 | 5 | 4.8 | C[C@](N)(COP(=O)(O)O)C(=O)Nc1ccc(OCCc2ccc(-c3ccccc3)cc2)cc1C(F)(F)F | 10.1016/j.bmcl.2010.02.098 | |||
CHEMBL1090828 | 14802 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 538 | 10 | 4 | 5 | 4.8 | C[C@](N)(COP(=O)(O)O)C(=O)Nc1ccc(OCCc2ccc(-c3ccccc3)cc2)cc1C(F)(F)F | 10.1016/j.bmcl.2010.02.098 | |||
44341399 | 213746 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 724 | 25 | 7 | 5 | 7.9 | CCCCCCCCc1ccc(CCC(N)/C=C/P(=O)(O)O)cc1.CCCCCCCCc1ccc(CCC(N)C(O)CP(=O)(O)O)cc1 | 10.1016/j.bmcl.2004.02.106 | |||
CHEMBL91283 | 213746 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 724 | 25 | 7 | 5 | 7.9 | CCCCCCCCc1ccc(CCC(N)/C=C/P(=O)(O)O)cc1.CCCCCCCCc1ccc(CCC(N)C(O)CP(=O)(O)O)cc1 | 10.1016/j.bmcl.2004.02.106 | |||
10126736 | 117265 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 401 | 16 | 3 | 4 | 4.5 | CCCCCCCCOc1ccc(CNCCCP(=O)(O)O)cc1OCC | 10.1016/j.bmcl.2004.04.070 | |||
CHEMBL324820 | 117265 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 401 | 16 | 3 | 4 | 4.5 | CCCCCCCCOc1ccc(CNCCCP(=O)(O)O)cc1OCC | 10.1016/j.bmcl.2004.04.070 | |||
10288527 | 91804 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 461 | 7 | 1 | 4 | 5.8 | Cc1cc(CN2CC(C(=O)O)C2)ccc1OCc1cc(-c2ccccc2)c(C(F)(F)F)s1 | 10.1021/jm0492507 | |||
CHEMBL224005 | 91804 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 461 | 7 | 1 | 4 | 5.8 | Cc1cc(CN2CC(C(=O)O)C2)ccc1OCc1cc(-c2ccccc2)c(C(F)(F)F)s1 | 10.1021/jm0492507 | |||
44412353 | 173007 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 435 | 6 | 2 | 5 | 5.5 | O=C(O)C[C@@H]1CC[C@H](c2ccc(-c3noc(-c4ccc(C5CCCC5)c(F)c4)n3)cc2)N1 | 10.1016/j.bmcl.2006.03.038 | |||
CHEMBL426688 | 173007 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 435 | 6 | 2 | 5 | 5.5 | O=C(O)C[C@@H]1CC[C@H](c2ccc(-c3noc(-c4ccc(C5CCCC5)c(F)c4)n3)cc2)N1 | 10.1016/j.bmcl.2006.03.038 | |||
59762425 | 133697 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 533 | 9 | 1 | 4 | 5.8 | CC(C)Oc1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C[N+]3(C)CCCC3)n(Cc3ccccn3)c2c1 | nan | |||
CHEMBL3655483 | 133697 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 533 | 9 | 1 | 4 | 5.8 | CC(C)Oc1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C[N+]3(C)CCCC3)n(Cc3ccccn3)c2c1 | nan | |||
10309022 | 16809 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 355 | 13 | 2 | 3 | 4.1 | CCCCCCCCc1ccc(CCC(N)CCS(=O)(=O)O)cc1 | 10.1016/j.bmcl.2004.02.106 | |||
CHEMBL115131 | 16809 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 355 | 13 | 2 | 3 | 4.1 | CCCCCCCCc1ccc(CCC(N)CCS(=O)(=O)O)cc1 | 10.1016/j.bmcl.2004.02.106 | |||
59762374 | 133653 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 502 | 7 | 1 | 5 | 5.6 | CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(C3=N[C@H](C)CO3)cc2n1Cc1cccnc1 | nan | |||
CHEMBL3655441 | 133653 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 502 | 7 | 1 | 5 | 5.6 | CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(C3=N[C@H](C)CO3)cc2n1Cc1cccnc1 | nan | |||
44412165 | 84536 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 453 | 6 | 2 | 5 | 5.6 | O=C(O)C[C@@H]1CC[C@H](c2ccc(-c3noc(-c4ccc([C@@H]5CCC(F)(F)C5)cc4)n3)cc2)N1 | 10.1016/j.bmcl.2006.03.038 | |||
CHEMBL209076 | 84536 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 453 | 6 | 2 | 5 | 5.6 | O=C(O)C[C@@H]1CC[C@H](c2ccc(-c3noc(-c4ccc([C@@H]5CCC(F)(F)C5)cc4)n3)cc2)N1 | 10.1016/j.bmcl.2006.03.038 | |||
162650548 | 186910 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 366 | 4 | 1 | 4 | 4.9 | CCC/N=C1\S/C(=C\c2ccc(O)c(C)c2)C(=O)N1c1ccccc1C | 10.1021/acsmedchemlett.8b00616 | |||
CHEMBL4748743 | 186910 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 366 | 4 | 1 | 4 | 4.9 | CCC/N=C1\S/C(=C\c2ccc(O)c(C)c2)C(=O)N1c1ccccc1C | 10.1021/acsmedchemlett.8b00616 | |||
44234259 | 134192 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 491 | 10 | 1 | 4 | 6.6 | CCCCOc1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccn3)c2c1 | nan | |||
CHEMBL3659690 | 134192 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 491 | 10 | 1 | 4 | 6.6 | CCCCOc1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccn3)c2c1 | nan | |||
44394212 | 73944 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 373 | 15 | 2 | 2 | 6.5 | CCCCCCCCCCCCCC1CCCC(CCP(C)(=O)O)N1 | 10.1016/j.bmcl.2004.07.049 | |||
CHEMBL187692 | 73944 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 373 | 15 | 2 | 2 | 6.5 | CCCCCCCCCCCCCC1CCCC(CCP(C)(=O)O)N1 | 10.1016/j.bmcl.2004.07.049 | |||
10172354 | 120563 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 357 | 14 | 3 | 3 | 4.1 | CCCCCCCCOc1ccc(CNCCCP(=O)(O)O)cc1 | 10.1016/j.bmcl.2004.04.070 | |||
CHEMBL332373 | 120563 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 357 | 14 | 3 | 3 | 4.1 | CCCCCCCCOc1ccc(CNCCCP(=O)(O)O)cc1 | 10.1016/j.bmcl.2004.04.070 | |||
44159278 | 133627 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 518 | 8 | 1 | 5 | 5.7 | CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(OC3CCOC3=O)cc2n1Cc1ccccc1 | nan | |||
CHEMBL3655415 | 133627 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 518 | 8 | 1 | 5 | 5.7 | CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(OC3CCOC3=O)cc2n1Cc1ccccc1 | nan | |||
9824415 | 117333 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 437 | 13 | 3 | 4 | 4.1 | CCCCCCOc1c(Br)cc(CNCCCP(=O)(O)O)cc1OC | 10.1016/j.bmcl.2004.04.070 | |||
CHEMBL325247 | 117333 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 437 | 13 | 3 | 4 | 4.1 | CCCCCCOc1c(Br)cc(CNCCCP(=O)(O)O)cc1OC | 10.1016/j.bmcl.2004.04.070 | |||
10174181 | 18041 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 479 | 16 | 3 | 4 | 5.2 | CCCCCCCCCOc1c(Br)cc(CNCCCP(=O)(O)O)cc1OC | 10.1016/j.bmcl.2004.04.070 | |||
CHEMBL117910 | 18041 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 479 | 16 | 3 | 4 | 5.2 | CCCCCCCCCOc1c(Br)cc(CNCCCP(=O)(O)O)cc1OC | 10.1016/j.bmcl.2004.04.070 | |||
10384596 | 16908 | 2 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 371 | 13 | 4 | 3 | 3.7 | CCCCCCCCc1ccc(CC[C@@H](N)C[C@H](O)P(=O)(O)O)cc1 | 10.1016/j.bmcl.2004.02.106 | |||
CHEMBL115713 | 16908 | 2 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 371 | 13 | 4 | 3 | 3.7 | CCCCCCCCc1ccc(CC[C@@H](N)C[C@H](O)P(=O)(O)O)cc1 | 10.1016/j.bmcl.2004.02.106 | |||
44233257 | 133743 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 468 | 8 | 1 | 5 | 5.9 | CC(C)c1c(C(=O)NCc2cccnc2)c2ccc(OC3CCCC3)cc2n1Cc1ccccn1 | nan | |||
CHEMBL3655530 | 133743 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 468 | 8 | 1 | 5 | 5.9 | CC(C)c1c(C(=O)NCc2cccnc2)c2ccc(OC3CCCC3)cc2n1Cc1ccccn1 | nan | |||
59762412 | 133701 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 515 | 8 | 1 | 3 | 7.4 | CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(N(C)C3CCCC3)cc2n1Cc1ccccc1 | nan | |||
CHEMBL3655488 | 133701 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 515 | 8 | 1 | 3 | 7.4 | CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(N(C)C3CCCC3)cc2n1Cc1ccccc1 | nan | |||
59762389 | 133726 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 493 | 8 | 1 | 6 | 4.9 | COC(=O)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(OC(C)C)cc2n1Cc1ccccn1 | nan | |||
CHEMBL3655512 | 133726 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 493 | 8 | 1 | 6 | 4.9 | COC(=O)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(OC(C)C)cc2n1Cc1ccccn1 | nan | |||
59762299 | 133640 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 474 | 8 | 1 | 6 | 4.8 | CCOC(=O)c1ccc2c(C(=O)NCc3cncc(F)c3)c(C(C)C)n(Cc3ccccn3)c2c1 | nan | |||
CHEMBL3655428 | 133640 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 474 | 8 | 1 | 6 | 4.8 | CCOC(=O)c1ccc2c(C(=O)NCc3cncc(F)c3)c(C(C)C)n(Cc3ccccn3)c2c1 | nan | |||
44159393 | 133742 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 517 | 10 | 1 | 4 | 7.0 | CC(C)CO/N=C/c1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccc3)c2c1 | nan | |||
CHEMBL3655529 | 133742 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 517 | 10 | 1 | 4 | 7.0 | CC(C)CO/N=C/c1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccc3)c2c1 | nan | |||
59762286 | 133675 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 503 | 8 | 2 | 3 | 6.6 | CC(C)C(=O)Nc1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccc3)c2c1 | nan | |||
CHEMBL3655462 | 133675 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 503 | 8 | 2 | 3 | 6.6 | CC(C)C(=O)Nc1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccc3)c2c1 | nan | |||
59762434 | 133678 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 515 | 9 | 1 | 5 | 6.6 | CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(OCc3ncco3)cc2n1Cc1ccccc1 | nan | |||
CHEMBL3655465 | 133678 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 515 | 9 | 1 | 5 | 6.6 | CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(OCc3ncco3)cc2n1Cc1ccccc1 | nan | |||
44233255 | 133740 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 505 | 8 | 1 | 5 | 5.9 | CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(OC3CCCO3)cc2n1Cc1ccccn1 | nan | |||
CHEMBL3655527 | 133740 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 505 | 8 | 1 | 5 | 5.9 | CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(OC3CCCO3)cc2n1Cc1ccccn1 | nan | |||
44233256 | 133744 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 454 | 8 | 1 | 4 | 5.9 | CCOC(=O)c1ccc2c(C(=O)NCc3ccccc3)c(C(C)C)n(Cc3ccccc3)c2c1 | nan | |||
CHEMBL3655531 | 133744 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 454 | 8 | 1 | 4 | 5.9 | CCOC(=O)c1ccc2c(C(=O)NCc3ccccc3)c(C(C)C)n(Cc3ccccc3)c2c1 | nan | |||
44394116 | 73124 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 349 | 17 | 2 | 2 | 5.2 | CCCCCCCCCCCCCCN(C)CCCP(=O)(O)O | 10.1016/j.bmcl.2004.07.049 | |||
CHEMBL185100 | 73124 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 349 | 17 | 2 | 2 | 5.2 | CCCCCCCCCCCCCCN(C)CCCP(=O)(O)O | 10.1016/j.bmcl.2004.07.049 | |||
44234511 | 134194 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 489 | 8 | 1 | 5 | 5.3 | CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(/C=N/N(C)C)cc2n1Cc1ccccn1 | nan | |||
CHEMBL3659692 | 134194 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 489 | 8 | 1 | 5 | 5.3 | CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(/C=N/N(C)C)cc2n1Cc1ccccn1 | nan | |||
10289318 | 120804 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 513 | 14 | 3 | 3 | 5.6 | CCCCCCCCOc1c(Br)cc(CNCCCP(=O)(O)O)cc1Br | 10.1016/j.bmcl.2004.04.070 | |||
CHEMBL332667 | 120804 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 513 | 14 | 3 | 3 | 5.6 | CCCCCCCCOc1c(Br)cc(CNCCCP(=O)(O)O)cc1Br | 10.1016/j.bmcl.2004.04.070 | |||
10287343 | 19091 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 387 | 15 | 3 | 4 | 4.1 | CCCCCCCCOc1ccc(CNCCCP(=O)(O)O)cc1OC | 10.1016/j.bmcl.2004.04.070 | |||
CHEMBL118508 | 19091 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 387 | 15 | 3 | 4 | 4.1 | CCCCCCCCOc1ccc(CNCCCP(=O)(O)O)cc1OC | 10.1016/j.bmcl.2004.04.070 | |||
44159279 | 133734 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 475 | 8 | 1 | 3 | 6.1 | CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(CN(C)C)cc2n1Cc1ccccc1 | nan | |||
CHEMBL3655521 | 133734 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 475 | 8 | 1 | 3 | 6.1 | CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(CN(C)C)cc2n1Cc1ccccc1 | nan | |||
59495631 | 164032 | 0 | None | -1318 | 2 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 430 | 8 | 1 | 6 | 5.0 | COCc1cc(-c2nc(-c3cccc(OCC(=O)O)c3)no2)ccc1-c1ccccc1C | 10.1021/acs.jmedchem.6b01575 | |||
CHEMBL4076530 | 164032 | 0 | None | -1318 | 2 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 430 | 8 | 1 | 6 | 5.0 | COCc1cc(-c2nc(-c3cccc(OCC(=O)O)c3)no2)ccc1-c1ccccc1C | 10.1021/acs.jmedchem.6b01575 | |||
137644547 | 164818 | 0 | None | -758 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 494 | 7 | 1 | 5 | 7.0 | COCc1cc(-c2nc(-c3ccc(-c4ccc(C(=O)O)c(F)c4)cc3)no2)ccc1-c1ccccc1C | 10.1021/acs.jmedchem.6b01575 | |||
CHEMBL4085783 | 164818 | 0 | None | -758 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 494 | 7 | 1 | 5 | 7.0 | COCc1cc(-c2nc(-c3ccc(-c4ccc(C(=O)O)c(F)c4)cc3)no2)ccc1-c1ccccc1C | 10.1021/acs.jmedchem.6b01575 | |||
11545181 | 10787 | 6 | None | -31 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 370 | 12 | 4 | 3 | 3.4 | CCCCCCCCc1cccc(c1)NC(=O)[C@@H](CCP(=O)(O)O)N | 10.1016/j.bmc.2006.10.060 | |||
2930 | 10787 | 6 | None | -31 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 370 | 12 | 4 | 3 | 3.4 | CCCCCCCCc1cccc(c1)NC(=O)[C@@H](CCP(=O)(O)O)N | 10.1016/j.bmc.2006.10.060 | |||
CHEMBL389033 | 10787 | 6 | None | -31 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 370 | 12 | 4 | 3 | 3.4 | CCCCCCCCc1cccc(c1)NC(=O)[C@@H](CCP(=O)(O)O)N | 10.1016/j.bmc.2006.10.060 | |||
44342175 | 92295 | 0 | None | -10 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 372 | 12 | 4 | 4 | 3.0 | CCCCCCCCc1ccc(NC(=O)[C@H](N)COP(=O)(O)O)cc1 | 10.1016/j.bmc.2006.10.060 | |||
CHEMBL227371 | 92295 | 0 | None | -10 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 372 | 12 | 4 | 4 | 3.0 | CCCCCCCCc1ccc(NC(=O)[C@H](N)COP(=O)(O)O)cc1 | 10.1016/j.bmc.2006.10.060 | |||
CHEMBL422074 | 92295 | 0 | None | -10 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 372 | 12 | 4 | 4 | 3.0 | CCCCCCCCc1ccc(NC(=O)[C@H](N)COP(=O)(O)O)cc1 | 10.1016/j.bmc.2006.10.060 | |||
57699087 | 110374 | 0 | None | -19 | 2 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 362 | 6 | 1 | 6 | 2.1 | CCn1c(OC)nnc1[C@@H](C)NS(=O)(=O)c1ccc(F)c(Cl)c1 | 10.1016/j.bmcl.2013.09.058 | |||
CHEMBL3086532 | 110374 | 0 | None | -19 | 2 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 362 | 6 | 1 | 6 | 2.1 | CCn1c(OC)nnc1[C@@H](C)NS(=O)(=O)c1ccc(F)c(Cl)c1 | 10.1016/j.bmcl.2013.09.058 | |||
11363176 | 9923 | 47 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | Guide to Pharmacology | 460 | 8 | 2 | 6 | 4.3 | CCCN=C1S/C(=C\c2ccc(c(c2)Cl)OC[C@@H](CO)O)/C(=O)N1c1ccccc1C | 20446681 | |||
5446 | 9923 | 47 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | Guide to Pharmacology | 460 | 8 | 2 | 6 | 4.3 | CCCN=C1S/C(=C\c2ccc(c(c2)Cl)OC[C@@H](CO)O)/C(=O)N1c1ccccc1C | 20446681 | |||
9320 | 9923 | 47 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | Guide to Pharmacology | 460 | 8 | 2 | 6 | 4.3 | CCCN=C1S/C(=C\c2ccc(c(c2)Cl)OC[C@@H](CO)O)/C(=O)N1c1ccccc1C | 20446681 | |||
CHEMBL1096146 | 9923 | 47 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | Guide to Pharmacology | 460 | 8 | 2 | 6 | 4.3 | CCCN=C1S/C(=C\c2ccc(c(c2)Cl)OC[C@@H](CO)O)/C(=O)N1c1ccccc1C | 20446681 | |||
10883396 | 10421 | 45 | None | -1 | 4 | Human | 8.6 | pKd | = | 8.6 | Binding | Guide to Pharmacology | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 10446161 | |||
10883396 | 10421 | 45 | None | -1 | 4 | Human | 8.6 | pKd | = | 8.6 | Binding | Guide to Pharmacology | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 17170199 | |||
10883396 | 10421 | 45 | None | -1 | 4 | Human | 8.6 | pKd | = | 8.6 | Binding | Guide to Pharmacology | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 9988698 | |||
5283560 | 10421 | 45 | None | -1 | 4 | Human | 8.6 | pKd | = | 8.6 | Binding | Guide to Pharmacology | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 10446161 | |||
5283560 | 10421 | 45 | None | -1 | 4 | Human | 8.6 | pKd | = | 8.6 | Binding | Guide to Pharmacology | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 17170199 | |||
5283560 | 10421 | 45 | None | -1 | 4 | Human | 8.6 | pKd | = | 8.6 | Binding | Guide to Pharmacology | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 9988698 | |||
911 | 10421 | 45 | None | -1 | 4 | Human | 8.6 | pKd | = | 8.6 | Binding | Guide to Pharmacology | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 10446161 | |||
911 | 10421 | 45 | None | -1 | 4 | Human | 8.6 | pKd | = | 8.6 | Binding | Guide to Pharmacology | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 17170199 | |||
911 | 10421 | 45 | None | -1 | 4 | Human | 8.6 | pKd | = | 8.6 | Binding | Guide to Pharmacology | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 9988698 | |||
CHEMBL225155 | 10421 | 45 | None | -1 | 4 | Human | 8.6 | pKd | = | 8.6 | Binding | Guide to Pharmacology | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 10446161 | |||
CHEMBL225155 | 10421 | 45 | None | -1 | 4 | Human | 8.6 | pKd | = | 8.6 | Binding | Guide to Pharmacology | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 17170199 | |||
CHEMBL225155 | 10421 | 45 | None | -1 | 4 | Human | 8.6 | pKd | = | 8.6 | Binding | Guide to Pharmacology | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 9988698 | |||
11588811 | 10784 | 45 | None | -85 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | Guide to Pharmacology | 372 | 12 | 4 | 4 | 3.0 | CCCCCCCCc1cccc(c1)NC(=O)[C@@H](COP(=O)(O)O)N | 15590668 | |||
136212600 | 10784 | 45 | None | -85 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | Guide to Pharmacology | 372 | 12 | 4 | 4 | 3.0 | CCCCCCCCc1cccc(c1)NC(=O)[C@@H](COP(=O)(O)O)N | 15590668 | |||
3324 | 10784 | 45 | None | -85 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | Guide to Pharmacology | 372 | 12 | 4 | 4 | 3.0 | CCCCCCCCc1cccc(c1)NC(=O)[C@@H](COP(=O)(O)O)N | 15590668 | |||
CHEMBL228102 | 10784 | 45 | None | -85 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | Guide to Pharmacology | 372 | 12 | 4 | 4 | 3.0 | CCCCCCCCc1cccc(c1)NC(=O)[C@@H](COP(=O)(O)O)N | 15590668 | |||
11545181 | 10787 | 6 | None | -31 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | Guide to Pharmacology | 370 | 12 | 4 | 3 | 3.4 | CCCCCCCCc1cccc(c1)NC(=O)[C@@H](CCP(=O)(O)O)N | 17113298 | |||
2930 | 10787 | 6 | None | -31 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | Guide to Pharmacology | 370 | 12 | 4 | 3 | 3.4 | CCCCCCCCc1cccc(c1)NC(=O)[C@@H](CCP(=O)(O)O)N | 17113298 | |||
CHEMBL389033 | 10787 | 6 | None | -31 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | Guide to Pharmacology | 370 | 12 | 4 | 3 | 3.4 | CCCCCCCCc1cccc(c1)NC(=O)[C@@H](CCP(=O)(O)O)N | 17113298 | |||
10310 | 10661 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | Guide to Pharmacology | 363 | 4 | 2 | 3 | 5.3 | Clc1ccc(cc1)NNC(=Nc1ccc(cc1)Cl)C(=O)C(C)(C)C | 20097776 | |||
16046248 | 10661 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | Guide to Pharmacology | 363 | 4 | 2 | 3 | 5.3 | Clc1ccc(cc1)NNC(=Nc1ccc(cc1)Cl)C(=O)C(C)(C)C | 20097776 | |||
CHEMBL4303550 | 10661 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | Guide to Pharmacology | 363 | 4 | 2 | 3 | 5.3 | Clc1ccc(cc1)NNC(=Nc1ccc(cc1)Cl)C(=O)C(C)(C)C | 20097776 | |||
6992 | 10781 | 0 | None | -23 | 5 | Human | 7.3 | pKi | = | 7.3 | Binding | Guide to Pharmacology | 369 | 11 | 3 | 3 | 4.3 | CCCCCCCCc1cccc(c1)C1CC(C1)(N)COP(=O)(O)O | 21632869 | |||
73755254 | 10781 | 0 | None | -23 | 5 | Human | 7.3 | pKi | = | 7.3 | Binding | Guide to Pharmacology | 369 | 11 | 3 | 3 | 4.3 | CCCCCCCCc1cccc(c1)C1CC(C1)(N)COP(=O)(O)O | 21632869 |