Ligand source activities (1 row/activity)
Ligands | Receptor | Assay information | Chemical information | ||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Sel. page | Common name |
GPCRdb ID | #Vendors | Reference ligand |
Fold selectivity (Potency) |
# tested GPCRs (Potency) |
Species | p-value (-log) |
Type | Activity Relation |
Activity Value |
Assay Type | Assay Description | Source | Mol weight |
Rot Bonds |
H don | H acc | LogP | Smiles | DOI |
77846754 | 181960 | 0 | None | - | 1 | Human | 10.5 | pEC50 | = | 10.5 | Functional | ChEMBL | 435 | 5 | 1 | 3 | 6.3 | Cc1cc(OC2CCC3(CCCC3)CC2)c(CN2CCC(C(=O)O)CC2)c2ccccc12 | 10.1021/acsmedchemlett.0c00631 | ||
CHEMBL4787458 | 181960 | 0 | None | - | 1 | Human | 10.5 | pEC50 | = | 10.5 | Functional | ChEMBL | 435 | 5 | 1 | 3 | 6.3 | Cc1cc(OC2CCC3(CCCC3)CC2)c(CN2CCC(C(=O)O)CC2)c2ccccc12 | 10.1021/acsmedchemlett.0c00631 | ||
77846502 | 180058 | 0 | None | - | 1 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | 423 | 6 | 2 | 3 | 6.1 | Cc1cc(O[C@H]2CC[C@H](C(C)(C)C)CC2)c(CNC2CC(C(=O)O)C2)c2ccccc12 | 10.1021/acsmedchemlett.0c00631 | ||
CHEMBL4754965 | 180058 | 0 | None | - | 1 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | 423 | 6 | 2 | 3 | 6.1 | Cc1cc(O[C@H]2CC[C@H](C(C)(C)C)CC2)c(CNC2CC(C(=O)O)C2)c2ccccc12 | 10.1021/acsmedchemlett.0c00631 | ||
12573 | 980 | 1 | None | - | 1 | Human | 10.0 | pEC50 | = | 10 | Functional | ChEMBL | 437 | 5 | 1 | 3 | 6.4 | C(C)(C)(C)[C@@H]1CC[C@H](CC1)OC2=C(C3=CC=CC=C3C(=C2)C)CN4CCC(CC4)C(=O)O | 10.1021/acsmedchemlett.0c00631 | ||
77846592 | 980 | 1 | None | - | 1 | Human | 10.0 | pEC50 | = | 10 | Functional | ChEMBL | 437 | 5 | 1 | 3 | 6.4 | C(C)(C)(C)[C@@H]1CC[C@H](CC1)OC2=C(C3=CC=CC=C3C(=C2)C)CN4CCC(CC4)C(=O)O | 10.1021/acsmedchemlett.0c00631 | ||
CHEMBL4748198 | 980 | 1 | None | - | 1 | Human | 10.0 | pEC50 | = | 10 | Functional | ChEMBL | 437 | 5 | 1 | 3 | 6.4 | C(C)(C)(C)[C@@H]1CC[C@H](CC1)OC2=C(C3=CC=CC=C3C(=C2)C)CN4CCC(CC4)C(=O)O | 10.1021/acsmedchemlett.0c00631 | ||
77847762 | 182841 | 0 | None | - | 1 | Human | 10.0 | pEC50 | = | 10 | Functional | ChEMBL | 397 | 7 | 2 | 3 | 5.7 | Cc1cc(O[C@H]2CC[C@H](C(C)(C)C)CC2)c(CNCCC(=O)O)c2ccccc12 | 10.1021/acsmedchemlett.0c00631 | ||
CHEMBL4798593 | 182841 | 0 | None | - | 1 | Human | 10.0 | pEC50 | = | 10 | Functional | ChEMBL | 397 | 7 | 2 | 3 | 5.7 | Cc1cc(O[C@H]2CC[C@H](C(C)(C)C)CC2)c(CNCCC(=O)O)c2ccccc12 | 10.1021/acsmedchemlett.0c00631 | ||
77846503 | 181728 | 0 | None | - | 1 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 451 | 6 | 2 | 3 | 6.9 | Cc1cc(O[C@H]2CC[C@H](C(C)(C)C)CC2)c(CNC2CCC(C(=O)O)CC2)c2ccccc12 | 10.1021/acsmedchemlett.0c00631 | ||
CHEMBL4784199 | 181728 | 0 | None | - | 1 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 451 | 6 | 2 | 3 | 6.9 | Cc1cc(O[C@H]2CC[C@H](C(C)(C)C)CC2)c(CNC2CCC(C(=O)O)CC2)c2ccccc12 | 10.1021/acsmedchemlett.0c00631 | ||
11452022 | 3539 | 33 | None | -3 | 6 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CC[C@@](COP(=O)(O)O)(CO)N | 10.1021/jm050242f | ||
6996 | 3539 | 33 | None | -3 | 6 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CC[C@@](COP(=O)(O)O)(CO)N | 10.1021/jm050242f | ||
CHEMBL366208 | 3539 | 33 | None | -3 | 6 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CC[C@@](COP(=O)(O)O)(CO)N | 10.1021/jm050242f | ||
25192001 | 7976 | 0 | None | -2 | 4 | Human | 9.5 | pEC50 | = | 9.5 | 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 | 7976 | 0 | None | -2 | 4 | Human | 9.5 | pEC50 | = | 9.5 | 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 | ||
11502996 | 158181 | 36 | None | -11 | 3 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 435 | 9 | 1 | 4 | 5.0 | CCCc1ccc(COc2ccc3c(c2)CCC(CN2CC(C(=O)O)C2)=C3C)c(OC)c1 | 10.1021/acs.jmedchem.7b00785 | ||
CHEMBL4093489 | 158181 | 36 | None | -11 | 3 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 435 | 9 | 1 | 4 | 5.0 | CCCc1ccc(COc2ccc3c(c2)CCC(CN2CC(C(=O)O)C2)=C3C)c(OC)c1 | 10.1021/acs.jmedchem.7b00785 | ||
11452022 | 3539 | 33 | None | -3 | 6 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CC[C@@](COP(=O)(O)O)(CO)N | 10.1021/ml100301k | ||
6996 | 3539 | 33 | None | -3 | 6 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CC[C@@](COP(=O)(O)O)(CO)N | 10.1021/ml100301k | ||
CHEMBL366208 | 3539 | 33 | None | -3 | 6 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CC[C@@](COP(=O)(O)O)(CO)N | 10.1021/ml100301k | ||
11452022 | 3539 | 33 | None | -3 | 6 | Human | 9.4 | pEC50 | = | 9.4 | 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 | 3539 | 33 | None | -3 | 6 | Human | 9.4 | pEC50 | = | 9.4 | 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 | 3539 | 33 | None | -3 | 6 | Human | 9.4 | pEC50 | = | 9.4 | 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 | ||
11452022 | 3539 | 33 | None | -3 | 6 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CC[C@@](COP(=O)(O)O)(CO)N | 10.1021/acsmedchemlett.0c00631 | ||
6996 | 3539 | 33 | None | -3 | 6 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CC[C@@](COP(=O)(O)O)(CO)N | 10.1021/acsmedchemlett.0c00631 | ||
CHEMBL366208 | 3539 | 33 | None | -3 | 6 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CC[C@@](COP(=O)(O)O)(CO)N | 10.1021/acsmedchemlett.0c00631 | ||
2924 | 1610 | 37 | None | -4 | 6 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N | 10.1021/acsmedchemlett.5b00448 | ||
44398069 | 1610 | 37 | None | -4 | 6 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N | 10.1021/acsmedchemlett.5b00448 | ||
9908268 | 1610 | 37 | None | -4 | 6 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N | 10.1021/acsmedchemlett.5b00448 | ||
CHEMBL114606 | 1610 | 37 | None | -4 | 6 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N | 10.1021/acsmedchemlett.5b00448 | ||
11222939 | 67233 | 6 | None | -9 | 4 | Human | 9.3 | pEC50 | = | 9.3 | 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 | 67233 | 6 | None | -9 | 4 | Human | 9.3 | pEC50 | = | 9.3 | 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 | 67233 | 6 | None | -9 | 4 | Human | 9.3 | pEC50 | = | 9.3 | 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 | ||
46881623 | 6685 | 0 | None | 5 | 3 | Human | 9.2 | pEC50 | = | 9.2 | 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 | 6685 | 0 | None | 5 | 3 | Human | 9.2 | pEC50 | = | 9.2 | 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 | ||
59384310 | 103912 | 0 | None | -2 | 3 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 511 | 13 | 3 | 7 | 5.2 | CCCCCCCCOc1ccc(-c2nnc([C@@](C)(N)COP(=O)(O)O)s2)cc1C(F)(F)F | 10.1021/ml400194r | ||
CHEMBL3102904 | 103912 | 0 | None | -2 | 3 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 511 | 13 | 3 | 7 | 5.2 | CCCCCCCCOc1ccc(-c2nnc([C@@](C)(N)COP(=O)(O)O)s2)cc1C(F)(F)F | 10.1021/ml400194r | ||
11452022 | 3539 | 33 | None | -3 | 6 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CC[C@@](COP(=O)(O)O)(CO)N | 10.1021/acs.jmedchem.8b01695 | ||
6996 | 3539 | 33 | None | -3 | 6 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CC[C@@](COP(=O)(O)O)(CO)N | 10.1021/acs.jmedchem.8b01695 | ||
CHEMBL366208 | 3539 | 33 | None | -3 | 6 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CC[C@@](COP(=O)(O)O)(CO)N | 10.1021/acs.jmedchem.8b01695 | ||
2924 | 1610 | 37 | None | -4 | 6 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N | 10.1021/acs.jmedchem.0c01109 | ||
44398069 | 1610 | 37 | None | -4 | 6 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N | 10.1021/acs.jmedchem.0c01109 | ||
9908268 | 1610 | 37 | None | -4 | 6 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N | 10.1021/acs.jmedchem.0c01109 | ||
CHEMBL114606 | 1610 | 37 | None | -4 | 6 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N | 10.1021/acs.jmedchem.0c01109 | ||
44412994 | 77917 | 0 | None | -7 | 3 | Human | 9.2 | pEC50 | = | 9.2 | 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 | 77917 | 0 | None | -7 | 3 | Human | 9.2 | pEC50 | = | 9.2 | 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 | ||
77846505 | 179436 | 0 | None | - | 1 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 437 | 6 | 2 | 3 | 6.5 | Cc1cc(O[C@H]2CC[C@H](C(C)(C)C)CC2)c(CNC2CCC(C(=O)O)C2)c2ccccc12 | 10.1021/acsmedchemlett.0c00631 | ||
CHEMBL4747262 | 179436 | 0 | None | - | 1 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 437 | 6 | 2 | 3 | 6.5 | Cc1cc(O[C@H]2CC[C@H](C(C)(C)C)CC2)c(CNC2CCC(C(=O)O)C2)c2ccccc12 | 10.1021/acsmedchemlett.0c00631 | ||
10883396 | 3592 | 39 | None | -2 | 14 | Human | 9.0 | pEC50 | = | 9.0 | 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 | 3592 | 39 | None | -2 | 14 | Human | 9.0 | pEC50 | = | 9.0 | 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 | 3592 | 39 | None | -2 | 14 | Human | 9.0 | pEC50 | = | 9.0 | 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 | 3592 | 39 | None | -2 | 14 | Human | 9.0 | pEC50 | = | 9.0 | 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 | ||
11568622 | 157656 | 0 | None | -1 | 2 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 450 | 9 | 1 | 5 | 4.7 | CCCc1ccc(COc2ccc3c(c2C)CCC(CN2CC(C(=O)O)C2)=C3C)c(OC)n1 | 10.1021/acs.jmedchem.7b00785 | ||
CHEMBL4087932 | 157656 | 0 | None | -1 | 2 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 450 | 9 | 1 | 5 | 4.7 | CCCc1ccc(COc2ccc3c(c2C)CCC(CN2CC(C(=O)O)C2)=C3C)c(OC)n1 | 10.1021/acs.jmedchem.7b00785 | ||
77847765 | 182817 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 423 | 5 | 1 | 3 | 6.0 | Cc1cc(O[C@H]2CC[C@H](C(C)(C)C)CC2)c(CN2CCC(C(=O)O)C2)c2ccccc12 | 10.1021/acsmedchemlett.0c00631 | ||
CHEMBL4798181 | 182817 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 423 | 5 | 1 | 3 | 6.0 | Cc1cc(O[C@H]2CC[C@H](C(C)(C)C)CC2)c(CN2CCC(C(=O)O)C2)c2ccccc12 | 10.1021/acsmedchemlett.0c00631 | ||
44599207 | 3552 | 40 | None | -3 | 5 | Human | 9.0 | pEC50 | = | 9.0 | 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 | 10.1016/j.bmcl.2013.09.058 | ||
5326 | 3552 | 40 | None | -3 | 5 | Human | 9.0 | pEC50 | = | 9.0 | 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 | 10.1016/j.bmcl.2013.09.058 | ||
9289 | 3552 | 40 | None | -3 | 5 | Human | 9.0 | pEC50 | = | 9.0 | 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 | 10.1016/j.bmcl.2013.09.058 | ||
CHEMBL2336071 | 3552 | 40 | None | -3 | 5 | Human | 9.0 | pEC50 | = | 9.0 | 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 | 10.1016/j.bmcl.2013.09.058 | ||
DB12371 | 3552 | 40 | None | -3 | 5 | Human | 9.0 | pEC50 | = | 9.0 | 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 | 10.1016/j.bmcl.2013.09.058 | ||
11619303 | 158404 | 0 | None | -3 | 2 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 449 | 9 | 1 | 4 | 5.3 | CCCc1ccc(COc2ccc3c(c2C)CCC(CN2CC(C(=O)O)C2)=C3C)c(OC)c1 | 10.1021/acs.jmedchem.7b00785 | ||
CHEMBL4095920 | 158404 | 0 | None | -3 | 2 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 449 | 9 | 1 | 4 | 5.3 | CCCc1ccc(COc2ccc3c(c2C)CCC(CN2CC(C(=O)O)C2)=C3C)c(OC)c1 | 10.1021/acs.jmedchem.7b00785 | ||
77846753 | 180267 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 449 | 5 | 1 | 3 | 6.7 | Cc1cc(OC2CCC3(CCCCC3)CC2)c(CN2CCC(C(=O)O)CC2)c2ccccc12 | 10.1021/acsmedchemlett.0c00631 | ||
CHEMBL4757160 | 180267 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 449 | 5 | 1 | 3 | 6.7 | Cc1cc(OC2CCC3(CCCCC3)CC2)c(CN2CCC(C(=O)O)CC2)c2ccccc12 | 10.1021/acsmedchemlett.0c00631 | ||
90324880 | 179776 | 0 | None | - | 1 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 343 | 11 | 2 | 3 | 4.7 | CCCCCCOc1cc(C)c2ccccc2c1CNCCC(=O)O | 10.1021/acsmedchemlett.0c00631 | ||
CHEMBL4751484 | 179776 | 0 | None | - | 1 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 343 | 11 | 2 | 3 | 4.7 | CCCCCCOc1cc(C)c2ccccc2c1CNCCC(=O)O | 10.1021/acsmedchemlett.0c00631 | ||
77847763 | 181226 | 0 | None | - | 1 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 411 | 8 | 2 | 3 | 6.1 | Cc1cc(O[C@H]2CC[C@H](C(C)(C)C)CC2)c(CNCCCC(=O)O)c2ccccc12 | 10.1021/acsmedchemlett.0c00631 | ||
CHEMBL4778095 | 181226 | 0 | None | - | 1 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 411 | 8 | 2 | 3 | 6.1 | Cc1cc(O[C@H]2CC[C@H](C(C)(C)C)CC2)c(CNCCCC(=O)O)c2ccccc12 | 10.1021/acsmedchemlett.0c00631 | ||
46884020 | 8355 | 0 | None | -8 | 4 | Human | 8.8 | pEC50 | = | 8.8 | 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 | ||
CHEMBL1093686 | 8355 | 0 | None | -8 | 4 | Human | 8.8 | pEC50 | = | 8.8 | 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 | ||
10883396 | 3592 | 39 | None | -2 | 14 | Human | 8.7 | pEC50 | = | 8.7 | 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 | 3592 | 39 | None | -2 | 14 | Human | 8.7 | pEC50 | = | 8.7 | 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 | 3592 | 39 | None | -2 | 14 | Human | 8.7 | pEC50 | = | 8.7 | 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 | 3592 | 39 | None | -2 | 14 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 10.1021/ml400194r | ||
10904818 | 300 | 0 | None | -1 | 4 | Human | 8.7 | pEC50 | = | 8.7 | 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 | 300 | 0 | None | -1 | 4 | Human | 8.7 | pEC50 | = | 8.7 | 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 | 300 | 0 | None | -1 | 4 | Human | 8.7 | pEC50 | = | 8.7 | 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 | ||
44406004 | 72370 | 8 | None | -11 | 4 | Human | 8.7 | pEC50 | = | 8.7 | 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 | 72370 | 8 | None | -11 | 4 | Human | 8.7 | pEC50 | = | 8.7 | 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 | ||
11678855 | 133920 | 0 | None | -1 | 3 | Human | 8.7 | pEC50 | = | 8.7 | 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 | 133920 | 0 | None | -1 | 3 | Human | 8.7 | pEC50 | = | 8.7 | 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 | ||
16215109 | 146975 | 0 | None | -1 | 2 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 399 | 12 | 4 | 4 | 3.5 | CCCCCCCCc1ccc([C@H]2C[C@H](COP(=O)(O)O)N[C@@H]2CO)cc1 | 10.1016/j.bmcl.2006.10.014 | ||
44438256 | 146975 | 0 | None | -1 | 2 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 399 | 12 | 4 | 4 | 3.5 | CCCCCCCCc1ccc([C@H]2C[C@H](COP(=O)(O)O)N[C@@H]2CO)cc1 | 10.1016/j.bmcl.2006.10.014 | ||
CHEMBL393055 | 146975 | 0 | None | -1 | 2 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 399 | 12 | 4 | 4 | 3.5 | CCCCCCCCc1ccc([C@H]2C[C@H](COP(=O)(O)O)N[C@@H]2CO)cc1 | 10.1016/j.bmcl.2006.10.014 | ||
16215109 | 146975 | 0 | None | -1 | 2 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 399 | 12 | 4 | 4 | 3.5 | CCCCCCCCc1ccc([C@H]2C[C@H](COP(=O)(O)O)N[C@@H]2CO)cc1 | 10.1016/j.bmcl.2011.09.049 | ||
44438256 | 146975 | 0 | None | -1 | 2 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 399 | 12 | 4 | 4 | 3.5 | CCCCCCCCc1ccc([C@H]2C[C@H](COP(=O)(O)O)N[C@@H]2CO)cc1 | 10.1016/j.bmcl.2011.09.049 | ||
CHEMBL393055 | 146975 | 0 | None | -1 | 2 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 399 | 12 | 4 | 4 | 3.5 | CCCCCCCCc1ccc([C@H]2C[C@H](COP(=O)(O)O)N[C@@H]2CO)cc1 | 10.1016/j.bmcl.2011.09.049 | ||
78321974 | 139784 | 0 | None | -38 | 3 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 409 | 9 | 3 | 3 | 4.8 | CCCCCC[C@@H]1CCc2cc([C@H]3CC[C@](N)(COP(=O)(O)O)C3)ccc2C1 | 10.1021/acsmedchemlett.5b00448 | ||
CHEMBL3806205 | 139784 | 0 | None | -38 | 3 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 409 | 9 | 3 | 3 | 4.8 | CCCCCC[C@@H]1CCc2cc([C@H]3CC[C@](N)(COP(=O)(O)O)C3)ccc2C1 | 10.1021/acsmedchemlett.5b00448 | ||
78321974 | 139784 | 0 | None | -38 | 3 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 409 | 9 | 3 | 3 | 4.8 | CCCCCC[C@@H]1CCc2cc([C@H]3CC[C@](N)(COP(=O)(O)O)C3)ccc2C1 | 10.1021/acs.jmedchem.8b01695 | ||
CHEMBL3806205 | 139784 | 0 | None | -38 | 3 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 409 | 9 | 3 | 3 | 4.8 | CCCCCC[C@@H]1CCc2cc([C@H]3CC[C@](N)(COP(=O)(O)O)C3)ccc2C1 | 10.1021/acs.jmedchem.8b01695 | ||
78321974 | 139784 | 0 | None | -38 | 3 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 409 | 9 | 3 | 3 | 4.8 | CCCCCC[C@@H]1CCc2cc([C@H]3CC[C@](N)(COP(=O)(O)O)C3)ccc2C1 | 10.1021/acs.jmedchem.0c01109 | ||
CHEMBL3806205 | 139784 | 0 | None | -38 | 3 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 409 | 9 | 3 | 3 | 4.8 | CCCCCC[C@@H]1CCc2cc([C@H]3CC[C@](N)(COP(=O)(O)O)C3)ccc2C1 | 10.1021/acs.jmedchem.0c01109 | ||
66655386 | 166967 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 435 | 6 | 1 | 4 | 4.8 | O=C(O)CCN1CCCC2(COc3cc(OCc4c(Cl)cccc4Cl)ccc32)C1 | 10.1016/j.bmcl.2017.12.018 | ||
CHEMBL4218296 | 166967 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 435 | 6 | 1 | 4 | 4.8 | O=C(O)CCN1CCCC2(COc3cc(OCc4c(Cl)cccc4Cl)ccc32)C1 | 10.1016/j.bmcl.2017.12.018 | ||
CHEMBL4300113 | 166967 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 435 | 6 | 1 | 4 | 4.8 | O=C(O)CCN1CCCC2(COc3cc(OCc4c(Cl)cccc4Cl)ccc32)C1 | 10.1016/j.bmcl.2017.12.018 | ||
66655175 | 167014 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 367 | 6 | 1 | 4 | 3.5 | O=C(O)CCN1CCC2(CC1)COc1cc(OCc3ccccc3)ccc12 | 10.1016/j.bmcl.2017.12.018 | ||
CHEMBL4213649 | 167014 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 367 | 6 | 1 | 4 | 3.5 | O=C(O)CCN1CCC2(CC1)COc1cc(OCc3ccccc3)ccc12 | 10.1016/j.bmcl.2017.12.018 | ||
CHEMBL4300641 | 167014 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 367 | 6 | 1 | 4 | 3.5 | O=C(O)CCN1CCC2(CC1)COc1cc(OCc3ccccc3)ccc12 | 10.1016/j.bmcl.2017.12.018 | ||
46881912 | 6688 | 0 | None | -2 | 4 | Human | 6.0 | pEC50 | = | 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 | 6688 | 0 | None | -2 | 4 | Human | 6.0 | pEC50 | = | 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 | ||
44412827 | 77388 | 0 | None | -89 | 3 | Human | 6.0 | pEC50 | = | 6.0 | 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 | 77388 | 0 | None | -89 | 3 | Human | 6.0 | pEC50 | = | 6.0 | 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 | ||
44517795 | 67959 | 0 | None | -109 | 5 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 472 | 6 | 1 | 7 | 3.9 | N#Cc1cc(OC(F)(F)F)cc(-c2nc(-c3ccc4c(c3)CCN4C(=O)CCC(=O)O)no2)c1 | 10.1016/j.bmcl.2011.05.110 | ||
CHEMBL1916399 | 67959 | 0 | None | -109 | 5 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 472 | 6 | 1 | 7 | 3.9 | N#Cc1cc(OC(F)(F)F)cc(-c2nc(-c3ccc4c(c3)CCN4C(=O)CCC(=O)O)no2)c1 | 10.1016/j.bmcl.2011.05.110 | ||
42630194 | 75425 | 0 | None | -7 | 5 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 468 | 5 | 2 | 6 | 5.2 | N#Cc1cc(OC(F)(F)F)cc(-c2nc(-c3ccc4[nH]c5c(c4c3)CCC5CC(=O)O)no2)c1 | 10.1016/j.bmcl.2012.04.129 | ||
CHEMBL2048287 | 75425 | 0 | None | -7 | 5 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 468 | 5 | 2 | 6 | 5.2 | N#Cc1cc(OC(F)(F)F)cc(-c2nc(-c3ccc4[nH]c5c(c4c3)CCC5CC(=O)O)no2)c1 | 10.1016/j.bmcl.2012.04.129 | ||
2924 | 1610 | 37 | None | -4 | 6 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N | 10.1021/acs.jmedchem.5b00928 | ||
44398069 | 1610 | 37 | None | -4 | 6 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N | 10.1021/acs.jmedchem.5b00928 | ||
9908268 | 1610 | 37 | None | -4 | 6 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N | 10.1021/acs.jmedchem.5b00928 | ||
CHEMBL114606 | 1610 | 37 | None | -4 | 6 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N | 10.1021/acs.jmedchem.5b00928 | ||
25154344 | 6462 | 0 | None | -38 | 3 | Human | 6.9 | pEC50 | = | 6.9 | 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 | 6462 | 0 | None | -38 | 3 | Human | 6.9 | pEC50 | = | 6.9 | 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 | ||
66655656 | 166999 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 431 | 5 | 1 | 3 | 5.4 | O=C(O)CCN1CCC2(CC1)COc1cc(/C=C/c3c(Cl)cccc3Cl)ccc12 | 10.1016/j.bmcl.2017.12.018 | ||
CHEMBL4218826 | 166999 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 431 | 5 | 1 | 3 | 5.4 | O=C(O)CCN1CCC2(CC1)COc1cc(/C=C/c3c(Cl)cccc3Cl)ccc12 | 10.1016/j.bmcl.2017.12.018 | ||
CHEMBL4300415 | 166999 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 431 | 5 | 1 | 3 | 5.4 | O=C(O)CCN1CCC2(CC1)COc1cc(/C=C/c3c(Cl)cccc3Cl)ccc12 | 10.1016/j.bmcl.2017.12.018 | ||
66655211 | 167174 | 0 | None | 316 | 2 | Human | 7.9 | pEC50 | = | 7.9 | 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 | 167174 | 0 | None | 316 | 2 | Human | 7.9 | pEC50 | = | 7.9 | 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 | 167174 | 0 | None | 316 | 2 | Human | 7.9 | pEC50 | = | 7.9 | 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 | ||
58344592 | 154029 | 0 | None | -100 | 4 | Human | 7.9 | pEC50 | = | 7.9 | 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 | 154029 | 0 | None | -100 | 4 | Human | 7.9 | pEC50 | = | 7.9 | 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 | 154029 | 0 | None | -100 | 4 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 445 | 7 | 1 | 7 | 3.7 | CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NCC(=O)N(C)C)no2)cc1C#N | nan | ||
11654374 | 77979 | 0 | None | -660 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 406 | 7 | 1 | 5 | 5.5 | Cc1cc(CCC(=O)O)ccc1-c1ncc(-c2ccc(OC(C)C)c(C#N)c2)s1 | 10.1016/j.bmcl.2006.04.064 | ||
CHEMBL211046 | 77979 | 0 | None | -660 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 406 | 7 | 1 | 5 | 5.5 | Cc1cc(CCC(=O)O)ccc1-c1ncc(-c2ccc(OC(C)C)c(C#N)c2)s1 | 10.1016/j.bmcl.2006.04.064 | ||
10883396 | 3592 | 39 | None | -2 | 14 | Human | 6.9 | pEC50 | = | 6.9 | 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 | 3592 | 39 | None | -2 | 14 | Human | 6.9 | pEC50 | = | 6.9 | 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 | 3592 | 39 | None | -2 | 14 | Human | 6.9 | pEC50 | = | 6.9 | 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 | 3592 | 39 | None | -2 | 14 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 10.1021/jm100181s | ||
77846594 | 180920 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 409 | 6 | 1 | 3 | 5.8 | CC[C@H]1CC[C@@H](Oc2cc(C)c3ccccc3c2CN2CCC(C(=O)O)CC2)CC1 | 10.1021/acsmedchemlett.0c00631 | ||
CHEMBL4764896 | 180920 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 409 | 6 | 1 | 3 | 5.8 | CC[C@H]1CC[C@@H](Oc2cc(C)c3ccccc3c2CN2CCC(C(=O)O)CC2)CC1 | 10.1021/acsmedchemlett.0c00631 | ||
66655306 | 167059 | 0 | None | 2 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 469 | 6 | 1 | 4 | 5.1 | O=C(O)CCN1CCC2(CC1)COc1cc(OCc3c(Cl)cccc3C(F)(F)F)ccc12 | 10.1016/j.bmcl.2017.12.018 | ||
CHEMBL4208787 | 167059 | 0 | None | 2 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 469 | 6 | 1 | 4 | 5.1 | O=C(O)CCN1CCC2(CC1)COc1cc(OCc3c(Cl)cccc3C(F)(F)F)ccc12 | 10.1016/j.bmcl.2017.12.018 | ||
CHEMBL4301342 | 167059 | 0 | None | 2 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 469 | 6 | 1 | 4 | 5.1 | O=C(O)CCN1CCC2(CC1)COc1cc(OCc3c(Cl)cccc3C(F)(F)F)ccc12 | 10.1016/j.bmcl.2017.12.018 | ||
66655521 | 167164 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 401 | 6 | 1 | 4 | 4.1 | O=C(O)CCN1CCC2(CC1)COc1cc(OCc3ccccc3Cl)ccc12 | 10.1016/j.bmcl.2017.12.018 | ||
CHEMBL4204779 | 167164 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 401 | 6 | 1 | 4 | 4.1 | O=C(O)CCN1CCC2(CC1)COc1cc(OCc3ccccc3Cl)ccc12 | 10.1016/j.bmcl.2017.12.018 | ||
CHEMBL4302677 | 167164 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 401 | 6 | 1 | 4 | 4.1 | O=C(O)CCN1CCC2(CC1)COc1cc(OCc3ccccc3Cl)ccc12 | 10.1016/j.bmcl.2017.12.018 | ||
11689680 | 79230 | 0 | None | -102 | 3 | Human | 7.9 | pEC50 | = | 7.9 | 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 | 79230 | 0 | None | -102 | 3 | Human | 7.9 | pEC50 | = | 7.9 | 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 | ||
44439851 | 145114 | 0 | None | -37 | 3 | Human | 7.9 | pEC50 | = | 7.9 | 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 | 145114 | 0 | None | -37 | 3 | Human | 7.9 | pEC50 | = | 7.9 | 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 | ||
46224767 | 197618 | 0 | None | -18 | 4 | Human | 6.9 | pEC50 | = | 6.9 | 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 | 197618 | 0 | None | -18 | 4 | Human | 6.9 | pEC50 | = | 6.9 | 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 | ||
44412865 | 79493 | 0 | None | -616 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 417 | 7 | 1 | 6 | 5.0 | Cc1cc(CCC(=O)O)ccc1-c1nnc(-c2cnc(OC(C)C)c(Cl)c2)s1 | 10.1016/j.bmcl.2006.04.064 | ||
CHEMBL212420 | 79493 | 0 | None | -616 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 417 | 7 | 1 | 6 | 5.0 | Cc1cc(CCC(=O)O)ccc1-c1nnc(-c2cnc(OC(C)C)c(Cl)c2)s1 | 10.1016/j.bmcl.2006.04.064 | ||
44438257 | 93393 | 0 | None | 2 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 399 | 12 | 4 | 4 | 3.5 | CCCCCCCCc1ccc([C@H]2C[C@H](CO)N[C@@H]2COP(=O)(O)O)cc1 | 10.1016/j.bmcl.2006.10.014 | ||
44438258 | 93393 | 0 | None | 2 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 399 | 12 | 4 | 4 | 3.5 | CCCCCCCCc1ccc([C@H]2C[C@H](CO)N[C@@H]2COP(=O)(O)O)cc1 | 10.1016/j.bmcl.2006.10.014 | ||
CHEMBL247698 | 93393 | 0 | None | 2 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 399 | 12 | 4 | 4 | 3.5 | CCCCCCCCc1ccc([C@H]2C[C@H](CO)N[C@@H]2COP(=O)(O)O)cc1 | 10.1016/j.bmcl.2006.10.014 | ||
25110406 | 1270 | 47 | None | -70 | 4 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 409 | 9 | 2 | 7 | 3.8 | OCCNC1CCc2c1cccc2c1noc(n1)c1ccc(c(c1)OCC)OCC | nan | ||
2928 | 1270 | 47 | None | -70 | 4 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 409 | 9 | 2 | 7 | 3.8 | OCCNC1CCc2c1cccc2c1noc(n1)c1ccc(c(c1)OCC)OCC | nan | ||
CHEMBL3922179 | 1270 | 47 | None | -70 | 4 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 409 | 9 | 2 | 7 | 3.8 | OCCNC1CCc2c1cccc2c1noc(n1)c1ccc(c(c1)OCC)OCC | nan | ||
11603726 | 76477 | 0 | None | -588 | 3 | Human | 6.9 | pEC50 | = | 6.9 | 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 | 76477 | 0 | None | -588 | 3 | Human | 6.9 | pEC50 | = | 6.9 | 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 | ||
25182899 | 6046 | 0 | None | -11 | 3 | Human | 6.9 | pEC50 | = | 6.9 | 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 | 6046 | 0 | None | -11 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 350 | 7 | 2 | 5 | 3.2 | CCCN(CC1CC1)c1cc(C(=O)Nc2ccc3[nH]ncc3c2)ncn1 | 10.1016/j.bmcl.2010.01.102 | ||
57390239 | 67566 | 0 | None | 1 | 4 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 339 | 3 | 0 | 4 | 3.7 | C/N=C1\S/C(=C\c2cc(C)n(Cc3ccccc3)c2C)C(=O)N1C | 10.1016/j.bmcl.2011.09.049 | ||
CHEMBL1910687 | 67566 | 0 | None | 1 | 4 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 339 | 3 | 0 | 4 | 3.7 | C/N=C1\S/C(=C\c2cc(C)n(Cc3ccccc3)c2C)C(=O)N1C | 10.1016/j.bmcl.2011.09.049 | ||
42630194 | 75425 | 0 | None | -7 | 5 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 468 | 5 | 2 | 6 | 5.2 | N#Cc1cc(OC(F)(F)F)cc(-c2nc(-c3ccc4[nH]c5c(c4c3)CCC5CC(=O)O)no2)c1 | 10.1016/j.bmcl.2012.04.129 | ||
CHEMBL2048287 | 75425 | 0 | None | -7 | 5 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 468 | 5 | 2 | 6 | 5.2 | N#Cc1cc(OC(F)(F)F)cc(-c2nc(-c3ccc4[nH]c5c(c4c3)CCC5CC(=O)O)no2)c1 | 10.1016/j.bmcl.2012.04.129 | ||
44412936 | 138237 | 0 | None | -213 | 3 | Human | 7.8 | pEC50 | = | 7.8 | 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 | 138237 | 0 | None | -213 | 3 | Human | 7.8 | pEC50 | = | 7.8 | 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 | ||
58344526 | 149595 | 2 | None | -95 | 5 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 404 | 7 | 2 | 7 | 3.6 | CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NCCO)no2)cc1C#N | nan | ||
CHEMBL3951270 | 149595 | 2 | None | -95 | 5 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 404 | 7 | 2 | 7 | 3.6 | CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NCCO)no2)cc1C#N | nan | ||
58344520 | 146043 | 0 | None | -169 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 445 | 7 | 1 | 7 | 3.7 | CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4NCC(=O)N(C)C)no2)cc1C#N | nan | ||
CHEMBL3922998 | 146043 | 0 | None | -169 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 445 | 7 | 1 | 7 | 3.7 | CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4NCC(=O)N(C)C)no2)cc1C#N | nan | ||
66655198 | 163108 | 0 | None | 79 | 3 | Human | 7.8 | pEC50 | = | 7.8 | 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 | 163108 | 0 | None | 79 | 3 | Human | 7.8 | pEC50 | = | 7.8 | 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 | ||
66655680 | 167046 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 429 | 7 | 1 | 4 | 4.7 | CCc1cccc(Cl)c1COc1ccc2c(c1)OCC21CCN(CCC(=O)O)CC1 | 10.1016/j.bmcl.2017.12.018 | ||
CHEMBL4210234 | 167046 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 429 | 7 | 1 | 4 | 4.7 | CCc1cccc(Cl)c1COc1ccc2c(c1)OCC21CCN(CCC(=O)O)CC1 | 10.1016/j.bmcl.2017.12.018 | ||
CHEMBL4301008 | 167046 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 429 | 7 | 1 | 4 | 4.7 | CCc1cccc(Cl)c1COc1ccc2c(c1)OCC21CCN(CCC(=O)O)CC1 | 10.1016/j.bmcl.2017.12.018 | ||
145947403 | 167107 | 0 | None | 125 | 3 | Human | 7.8 | pEC50 | = | 7.8 | 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 | 167107 | 0 | None | 125 | 3 | Human | 7.8 | pEC50 | = | 7.8 | 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 | 167107 | 0 | None | 125 | 3 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 443 | 8 | 1 | 4 | 5.1 | CCCc1cccc(Cl)c1COc1ccc2c(c1)OCC21CCN(CCC(=O)O)CC1 | 10.1016/j.bmcl.2017.12.018 | ||
56601980 | 167125 | 0 | None | 19 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 443 | 7 | 1 | 4 | 4.9 | CCc1cccc(Cl)c1COc1ccc2c(c1)OCC21CCN(CC(C)C(=O)O)CC1 | 10.1016/j.bmcl.2017.12.018 | ||
CHEMBL4205225 | 167125 | 0 | None | 19 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 443 | 7 | 1 | 4 | 4.9 | CCc1cccc(Cl)c1COc1ccc2c(c1)OCC21CCN(CC(C)C(=O)O)CC1 | 10.1016/j.bmcl.2017.12.018 | ||
CHEMBL4302166 | 167125 | 0 | None | 19 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 443 | 7 | 1 | 4 | 4.9 | CCc1cccc(Cl)c1COc1ccc2c(c1)OCC21CCN(CC(C)C(=O)O)CC1 | 10.1016/j.bmcl.2017.12.018 | ||
11603528 | 139528 | 0 | None | -154 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 391 | 7 | 1 | 7 | 3.3 | Cc1cc(CCC(=O)O)ccc1-n1nnc(-c2ccc(OC(C)C)c(C#N)c2)n1 | 10.1016/j.bmcl.2006.04.064 | ||
CHEMBL380040 | 139528 | 0 | None | -154 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 391 | 7 | 1 | 7 | 3.3 | Cc1cc(CCC(=O)O)ccc1-n1nnc(-c2ccc(OC(C)C)c(C#N)c2)n1 | 10.1016/j.bmcl.2006.04.064 | ||
77846593 | 181927 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 457 | 6 | 1 | 3 | 6.6 | Cc1cc(O[C@H]2CC[C@@H](c3ccccc3)CC2)c(CN2CCC(C(=O)O)CC2)c2ccccc12 | 10.1021/acsmedchemlett.0c00631 | ||
CHEMBL4787014 | 181927 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 457 | 6 | 1 | 3 | 6.6 | Cc1cc(O[C@H]2CC[C@@H](c3ccccc3)CC2)c(CN2CCC(C(=O)O)CC2)c2ccccc12 | 10.1021/acsmedchemlett.0c00631 | ||
66655846 | 167192 | 0 | None | 39 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 435 | 6 | 1 | 4 | 4.8 | O=C(O)CCN1CCC2(CC1)COc1cc(OCc3c(Cl)cccc3Cl)ccc12 | 10.1016/j.bmcl.2017.12.018 | ||
CHEMBL4215002 | 167192 | 0 | None | 39 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 435 | 6 | 1 | 4 | 4.8 | O=C(O)CCN1CCC2(CC1)COc1cc(OCc3c(Cl)cccc3Cl)ccc12 | 10.1016/j.bmcl.2017.12.018 | ||
CHEMBL4303021 | 167192 | 0 | None | 39 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 435 | 6 | 1 | 4 | 4.8 | O=C(O)CCN1CCC2(CC1)COc1cc(OCc3c(Cl)cccc3Cl)ccc12 | 10.1016/j.bmcl.2017.12.018 | ||
49848557 | 1080 | 0 | None | -6 | 5 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 461 | 7 | 1 | 8 | 4.0 | OC(=O)CCN1CCc2c(C1)c(C)n(n2)c1nnc(s1)c1ccc(c(c1)Cl)OC(C)C | 10.1021/acs.jmedchem.5b01512 | ||
9492 | 1080 | 0 | None | -6 | 5 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 461 | 7 | 1 | 8 | 4.0 | OC(=O)CCN1CCc2c(C1)c(C)n(n2)c1nnc(s1)c1ccc(c(c1)Cl)OC(C)C | 10.1021/acs.jmedchem.5b01512 | ||
CHEMBL3769933 | 1080 | 0 | None | -6 | 5 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 461 | 7 | 1 | 8 | 4.0 | OC(=O)CCN1CCc2c(C1)c(C)n(n2)c1nnc(s1)c1ccc(c(c1)Cl)OC(C)C | 10.1021/acs.jmedchem.5b01512 | ||
44125170 | 65624 | 1 | None | -16 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 446 | 7 | 1 | 7 | 4.2 | Cc1c(-c2noc(-c3ccc(OC(C)C)c(C#N)c3)n2)ccc2c1CCN(CCC(=O)O)C2 | 10.1021/jm200609t | ||
CHEMBL1836169 | 65624 | 1 | None | -16 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 446 | 7 | 1 | 7 | 4.2 | Cc1c(-c2noc(-c3ccc(OC(C)C)c(C#N)c3)n2)ccc2c1CCN(CCC(=O)O)C2 | 10.1021/jm200609t | ||
77846674 | 180378 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 549 | 5 | 1 | 3 | 6.7 | CC(C)(C)[C@H]1CC[C@H](Oc2cc(I)c3ccccc3c2CN2CCC(C(=O)O)CC2)CC1 | 10.1021/acsmedchemlett.0c00631 | ||
CHEMBL4758438 | 180378 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 549 | 5 | 1 | 3 | 6.7 | CC(C)(C)[C@H]1CC[C@H](Oc2cc(I)c3ccccc3c2CN2CCC(C(=O)O)CC2)CC1 | 10.1021/acsmedchemlett.0c00631 | ||
11977938 | 70566 | 24 | None | -11 | 4 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 461 | 8 | 1 | 7 | 5.3 | CCc1cc(CN2CC(C(=O)O)C2)sc1-c1noc(-c2ccc(Oc3ccccc3)cc2)n1 | 10.1016/j.ejmech.2012.02.022 | ||
CHEMBL1951304 | 70566 | 24 | None | -11 | 4 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 461 | 8 | 1 | 7 | 5.3 | CCc1cc(CN2CC(C(=O)O)C2)sc1-c1noc(-c2ccc(Oc3ccccc3)cc2)n1 | 10.1016/j.ejmech.2012.02.022 | ||
9969355 | 58133 | 0 | None | -1 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 369 | 14 | 2 | 3 | 4.5 | O=C(O)CCNCCCc1ccc(OCCCCCc2ccccc2)cc1 | 10.1016/j.bmcl.2011.01.029 | ||
CHEMBL1683041 | 58133 | 0 | None | -1 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 369 | 14 | 2 | 3 | 4.5 | O=C(O)CCNCCCc1ccc(OCCCCCc2ccccc2)cc1 | 10.1016/j.bmcl.2011.01.029 | ||
52938055 | 147082 | 0 | None | -478 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 482 | 9 | 1 | 8 | 3.6 | COCCS(=O)(=O)N[C@H]1CCc2c(-c3noc(-c4ccc(OC(C)C)c(C#N)c4)n3)cccc21 | nan | ||
CHEMBL3931243 | 147082 | 0 | None | -478 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 482 | 9 | 1 | 8 | 3.6 | COCCS(=O)(=O)N[C@H]1CCc2c(-c3noc(-c4ccc(OC(C)C)c(C#N)c4)n3)cccc21 | nan | ||
11869937 | 197478 | 8 | None | -75 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 292 | 2 | 0 | 3 | 3.8 | Cc1nn(C(=O)/C=C/c2ccccc2)c2c1[C@H]1[C@@H](C2)C1(C)C | 10.1016/j.bmcl.2009.11.045 | ||
CHEMBL589402 | 197478 | 8 | None | -75 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 292 | 2 | 0 | 3 | 3.8 | Cc1nn(C(=O)/C=C/c2ccccc2)c2c1[C@H]1[C@@H](C2)C1(C)C | 10.1016/j.bmcl.2009.11.045 | ||
44422604 | 85023 | 0 | None | -9 | 5 | Human | 7.7 | pEC50 | = | 7.7 | 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 | 85023 | 0 | None | -9 | 5 | Human | 7.7 | pEC50 | = | 7.7 | 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 | ||
46881875 | 7249 | 0 | None | -1 | 4 | Human | 7.7 | pEC50 | = | 7.7 | 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 | 7249 | 0 | None | -1 | 4 | Human | 7.7 | pEC50 | = | 7.7 | 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 | ||
66655362 | 163067 | 0 | None | 79 | 3 | Human | 7.7 | pEC50 | = | 7.7 | 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 | 163067 | 0 | None | 79 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 423 | 8 | 1 | 4 | 4.6 | CCc1cccc(CC)c1COc1ccc2c(c1)OCC21CCN(CCC(=O)O)CC1 | 10.1016/j.bmcl.2017.12.018 | ||
66654900 | 167029 | 0 | None | 199 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 485 | 7 | 1 | 5 | 5.0 | O=C(O)CCN1CCC2(CC1)COc1cc(OCc3c(Cl)cccc3OC(F)(F)F)ccc12 | 10.1016/j.bmcl.2017.12.018 | ||
CHEMBL4217573 | 167029 | 0 | None | 199 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 485 | 7 | 1 | 5 | 5.0 | O=C(O)CCN1CCC2(CC1)COc1cc(OCc3c(Cl)cccc3OC(F)(F)F)ccc12 | 10.1016/j.bmcl.2017.12.018 | ||
CHEMBL4300821 | 167029 | 0 | None | 199 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 485 | 7 | 1 | 5 | 5.0 | O=C(O)CCN1CCC2(CC1)COc1cc(OCc3c(Cl)cccc3OC(F)(F)F)ccc12 | 10.1016/j.bmcl.2017.12.018 | ||
56599785 | 167099 | 0 | None | 12 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 487 | 7 | 2 | 5 | 4.4 | O=P(O)(O)OCCN1CCC2(CC1)COc1cc(OCc3c(Cl)cccc3Cl)ccc12 | 10.1016/j.bmcl.2017.12.018 | ||
CHEMBL4205748 | 167099 | 0 | None | 12 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 487 | 7 | 2 | 5 | 4.4 | O=P(O)(O)OCCN1CCC2(CC1)COc1cc(OCc3c(Cl)cccc3Cl)ccc12 | 10.1016/j.bmcl.2017.12.018 | ||
CHEMBL4301854 | 167099 | 0 | None | 12 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 487 | 7 | 2 | 5 | 4.4 | O=P(O)(O)OCCN1CCC2(CC1)COc1cc(OCc3c(Cl)cccc3Cl)ccc12 | 10.1016/j.bmcl.2017.12.018 | ||
53492750 | 65635 | 0 | None | -6 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 448 | 7 | 2 | 8 | 3.1 | Cc1c(-c2noc(-c3ccc(OC(C)C)c(C#N)c3)n2)ccc2c1CCN(C(CO)CO)C2 | 10.1021/jm200609t | ||
CHEMBL1836215 | 65635 | 0 | None | -6 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 448 | 7 | 2 | 8 | 3.1 | Cc1c(-c2noc(-c3ccc(OC(C)C)c(C#N)c3)n2)ccc2c1CCN(C(CO)CO)C2 | 10.1021/jm200609t | ||
25182769 | 6188 | 0 | None | -7 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 380 | 6 | 2 | 5 | 4.3 | Cc1cc(O)ccc1NC(=O)c1cc(N(CC2CC2)C2CCCCC2)ncn1 | 10.1016/j.bmcl.2010.01.102 | ||
CHEMBL1081645 | 6188 | 0 | None | -7 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 380 | 6 | 2 | 5 | 4.3 | Cc1cc(O)ccc1NC(=O)c1cc(N(CC2CC2)C2CCCCC2)ncn1 | 10.1016/j.bmcl.2010.01.102 | ||
57390243 | 67580 | 0 | None | -2 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 383 | 6 | 0 | 5 | 3.7 | COCC/N=C1\S/C(=C\c2cc(C)n(Cc3ccccc3)c2C)C(=O)N1C | 10.1016/j.bmcl.2011.09.049 | ||
CHEMBL1910802 | 67580 | 0 | None | -2 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 383 | 6 | 0 | 5 | 3.7 | COCC/N=C1\S/C(=C\c2cc(C)n(Cc3ccccc3)c2C)C(=O)N1C | 10.1016/j.bmcl.2011.09.049 | ||
11222939 | 67233 | 6 | None | -9 | 4 | Human | 5.7 | pEC50 | = | 5.7 | 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 | 67233 | 6 | None | -9 | 4 | Human | 5.7 | pEC50 | = | 5.7 | 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 | 67233 | 6 | None | -9 | 4 | Human | 5.7 | pEC50 | = | 5.7 | 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 | ||
66655583 | 167015 | 0 | None | 7 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 435 | 6 | 1 | 4 | 4.8 | O=C(O)CCN1CCC2(CC1)COc1cc(OCc3cccc(Cl)c3Cl)ccc12 | 10.1016/j.bmcl.2017.12.018 | ||
CHEMBL4210576 | 167015 | 0 | None | 7 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 435 | 6 | 1 | 4 | 4.8 | O=C(O)CCN1CCC2(CC1)COc1cc(OCc3cccc(Cl)c3Cl)ccc12 | 10.1016/j.bmcl.2017.12.018 | ||
CHEMBL4300642 | 167015 | 0 | None | 7 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 435 | 6 | 1 | 4 | 4.8 | O=C(O)CCN1CCC2(CC1)COc1cc(OCc3cccc(Cl)c3Cl)ccc12 | 10.1016/j.bmcl.2017.12.018 | ||
66655587 | 167075 | 0 | None | 5 | 3 | Human | 6.7 | pEC50 | = | 6.7 | 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 | 167075 | 0 | None | 5 | 3 | Human | 6.7 | pEC50 | = | 6.7 | 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 | 167075 | 0 | None | 5 | 3 | Human | 6.7 | pEC50 | = | 6.7 | 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 | ||
68082485 | 166959 | 0 | None | -1 | 3 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 395 | 8 | 1 | 4 | 3.9 | O=C(O)CCN1CCC2(CC1)COc1cc(OCCCc3ccccc3)ccc12 | 10.1016/j.bmcl.2017.12.018 | ||
CHEMBL4207162 | 166959 | 0 | None | -1 | 3 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 395 | 8 | 1 | 4 | 3.9 | O=C(O)CCN1CCC2(CC1)COc1cc(OCCCc3ccccc3)ccc12 | 10.1016/j.bmcl.2017.12.018 | ||
CHEMBL4300006 | 166959 | 0 | None | -1 | 3 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 395 | 8 | 1 | 4 | 3.9 | O=C(O)CCN1CCC2(CC1)COc1cc(OCCCc3ccccc3)ccc12 | 10.1016/j.bmcl.2017.12.018 | ||
59384375 | 103911 | 0 | None | -4 | 3 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 510 | 13 | 3 | 6 | 5.9 | CCCCCCCCOc1ccc(-c2cnc([C@@](C)(N)COP(=O)(O)O)s2)cc1C(F)(F)F | 10.1021/ml400194r | ||
CHEMBL3102903 | 103911 | 0 | None | -4 | 3 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 510 | 13 | 3 | 6 | 5.9 | CCCCCCCCOc1ccc(-c2cnc([C@@](C)(N)COP(=O)(O)O)s2)cc1C(F)(F)F | 10.1021/ml400194r | ||
46881847 | 6980 | 0 | None | -2 | 4 | Human | 8.7 | pEC50 | = | 8.7 | 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 | 6980 | 0 | None | -2 | 4 | Human | 8.7 | pEC50 | = | 8.7 | 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 | ||
77847681 | 182708 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 409 | 5 | 1 | 3 | 5.6 | Cc1cc(O[C@H]2CC[C@H](C(C)(C)C)CC2)c(CN2CC(C(=O)O)C2)c2ccccc12 | 10.1021/acsmedchemlett.0c00631 | ||
CHEMBL4796939 | 182708 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 409 | 5 | 1 | 3 | 5.6 | Cc1cc(O[C@H]2CC[C@H](C(C)(C)C)CC2)c(CN2CC(C(=O)O)C2)c2ccccc12 | 10.1021/acsmedchemlett.0c00631 | ||
66655236 | 167126 | 0 | None | 50 | 2 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 445 | 7 | 1 | 4 | 5.4 | CCc1cccc(Cl)c1CSc1ccc2c(c1)OCC21CCN(CCC(=O)O)CC1 | 10.1016/j.bmcl.2017.12.018 | ||
CHEMBL4210019 | 167126 | 0 | None | 50 | 2 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 445 | 7 | 1 | 4 | 5.4 | CCc1cccc(Cl)c1CSc1ccc2c(c1)OCC21CCN(CCC(=O)O)CC1 | 10.1016/j.bmcl.2017.12.018 | ||
CHEMBL4302167 | 167126 | 0 | None | 50 | 2 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 445 | 7 | 1 | 4 | 5.4 | CCc1cccc(Cl)c1CSc1ccc2c(c1)OCC21CCN(CCC(=O)O)CC1 | 10.1016/j.bmcl.2017.12.018 | ||
11222939 | 67233 | 6 | None | -9 | 4 | Human | 8.5 | pEC50 | = | 8.5 | 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 | 67233 | 6 | None | -9 | 4 | Human | 8.5 | pEC50 | = | 8.5 | 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 | 67233 | 6 | None | -9 | 4 | Human | 8.5 | pEC50 | = | 8.5 | 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 | ||
58344778 | 154000 | 0 | None | -117 | 5 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 360 | 4 | 1 | 6 | 4.0 | CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4N)no2)cc1C#N | nan | ||
CHEMBL3902160 | 154000 | 0 | None | -117 | 5 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 360 | 4 | 1 | 6 | 4.0 | CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4N)no2)cc1C#N | nan | ||
CHEMBL3990889 | 154000 | 0 | None | -117 | 5 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 360 | 4 | 1 | 6 | 4.0 | CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4N)no2)cc1C#N | nan | ||
44412661 | 139013 | 0 | None | -14 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 406 | 7 | 1 | 5 | 5.5 | Cc1cc(CCC(=O)O)ccc1-c1cnc(-c2ccc(OC(C)C)c(C#N)c2)s1 | 10.1016/j.bmcl.2006.04.064 | ||
CHEMBL379612 | 139013 | 0 | None | -14 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 406 | 7 | 1 | 5 | 5.5 | Cc1cc(CCC(=O)O)ccc1-c1cnc(-c2ccc(OC(C)C)c(C#N)c2)s1 | 10.1016/j.bmcl.2006.04.064 | ||
46866185 | 7251 | 0 | None | -10 | 4 | Human | 6.7 | pEC50 | = | 6.7 | 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 | 7251 | 0 | None | -10 | 4 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 321 | 12 | 2 | 3 | 4.2 | CCCCCCCOc1ccc(CC[C@](C)(N)CC(=O)O)cc1 | 10.1016/j.bmcl.2010.01.118 | ||
44138103 | 75431 | 0 | None | -131 | 4 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 468 | 5 | 1 | 7 | 5.1 | N#Cc1cc(OC(F)(F)F)cc(-c2nc(-c3ccc4c(c3)cc3n4CCC3CC(=O)O)no2)c1 | 10.1016/j.bmcl.2012.04.129 | ||
CHEMBL2048293 | 75431 | 0 | None | -131 | 4 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 468 | 5 | 1 | 7 | 5.1 | N#Cc1cc(OC(F)(F)F)cc(-c2nc(-c3ccc4c(c3)cc3n4CCC3CC(=O)O)no2)c1 | 10.1016/j.bmcl.2012.04.129 | ||
11676168 | 70606 | 9 | None | -19 | 4 | Human | 7.7 | pEC50 | = | 7.7 | 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 | 70606 | 9 | None | -19 | 4 | Human | 7.7 | pEC50 | = | 7.7 | 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 | ||
44438261 | 93427 | 0 | None | 1 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 399 | 12 | 4 | 4 | 3.5 | CCCCCCCCc1ccc([C@@H]2C[C@@H](CO)N[C@H]2COP(=O)(O)O)cc1 | 10.1016/j.bmcl.2006.10.014 | ||
44438262 | 93427 | 0 | None | 1 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 399 | 12 | 4 | 4 | 3.5 | CCCCCCCCc1ccc([C@@H]2C[C@@H](CO)N[C@H]2COP(=O)(O)O)cc1 | 10.1016/j.bmcl.2006.10.014 | ||
CHEMBL247901 | 93427 | 0 | None | 1 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 399 | 12 | 4 | 4 | 3.5 | CCCCCCCCc1ccc([C@@H]2C[C@@H](CO)N[C@H]2COP(=O)(O)O)cc1 | 10.1016/j.bmcl.2006.10.014 | ||
11646599 | 77313 | 0 | None | -1047 | 3 | Human | 6.7 | pEC50 | = | 6.7 | 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 | 77313 | 0 | None | -1047 | 3 | Human | 6.7 | pEC50 | = | 6.7 | 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 | ||
10311 | 1267 | 34 | None | -37 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 405 | 5 | 0 | 5 | 3.9 | COCCN=C1S/C(=C\c2cc(n(c2C)c2ccc(cc2F)F)C)/C(=O)N1C | 10.1016/j.bmcl.2011.09.049 | ||
49835928 | 1267 | 34 | None | -37 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 405 | 5 | 0 | 5 | 3.9 | COCCN=C1S/C(=C\c2cc(n(c2C)c2ccc(cc2F)F)C)/C(=O)N1C | 10.1016/j.bmcl.2011.09.049 | ||
CHEMBL1910803 | 1267 | 34 | None | -37 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 405 | 5 | 0 | 5 | 3.9 | COCCN=C1S/C(=C\c2cc(n(c2C)c2ccc(cc2F)F)C)/C(=O)N1C | 10.1016/j.bmcl.2011.09.049 | ||
57397321 | 67569 | 0 | None | -1 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 403 | 5 | 0 | 4 | 4.7 | CC/N=C1\S/C(=C\c2cc(C)n(Cc3c(F)cccc3F)c2C)C(=O)N1CC | 10.1016/j.bmcl.2011.09.049 | ||
CHEMBL1910690 | 67569 | 0 | None | -1 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 403 | 5 | 0 | 4 | 4.7 | CC/N=C1\S/C(=C\c2cc(C)n(Cc3c(F)cccc3F)c2C)C(=O)N1CC | 10.1016/j.bmcl.2011.09.049 | ||
11632823 | 137843 | 0 | None | -234 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 405 | 7 | 1 | 4 | 6.1 | Cc1cc(CCC(=O)O)ccc1-c1ccc(-c2ccc(OC(C)C)c(C#N)c2)s1 | 10.1016/j.bmcl.2006.04.064 | ||
CHEMBL377181 | 137843 | 0 | None | -234 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 405 | 7 | 1 | 4 | 6.1 | Cc1cc(CCC(=O)O)ccc1-c1ccc(-c2ccc(OC(C)C)c(C#N)c2)s1 | 10.1016/j.bmcl.2006.04.064 | ||
77846755 | 181300 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 381 | 5 | 1 | 3 | 5.2 | Cc1cc(OC2CCCCC2)c(CN2CCC(C(=O)O)CC2)c2ccccc12 | 10.1021/acsmedchemlett.0c00631 | ||
CHEMBL4778961 | 181300 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 381 | 5 | 1 | 3 | 5.2 | Cc1cc(OC2CCCCC2)c(CN2CCC(C(=O)O)CC2)c2ccccc12 | 10.1021/acsmedchemlett.0c00631 | ||
49835989 | 67562 | 1 | None | -3 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 353 | 4 | 0 | 4 | 4.4 | CC/N=C1\S/C(=C\c2cc(C)n(-c3ccccc3)c2C)C(=O)N1CC | 10.1016/j.bmcl.2011.09.049 | ||
CHEMBL1910681 | 67562 | 1 | None | -3 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 353 | 4 | 0 | 4 | 4.4 | CC/N=C1\S/C(=C\c2cc(C)n(-c3ccccc3)c2C)C(=O)N1CC | 10.1016/j.bmcl.2011.09.049 | ||
11626664 | 77575 | 0 | None | -239 | 3 | Human | 7.6 | pEC50 | = | 7.6 | 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 | 77575 | 0 | None | -239 | 3 | Human | 7.6 | pEC50 | = | 7.6 | 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 | ||
11177439 | 67550 | 0 | None | -239 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 413 | 7 | 4 | 3 | 3.6 | N[C@H](CNC(=O)c1cc2c(-c3ccccc3Cc3ccccc3)cccc2[nH]1)C(=O)O | 10.1016/j.bmcl.2011.09.049 | ||
CHEMBL1910654 | 67550 | 0 | None | -239 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 413 | 7 | 4 | 3 | 3.6 | N[C@H](CNC(=O)c1cc2c(-c3ccccc3Cc3ccccc3)cccc2[nH]1)C(=O)O | 10.1016/j.bmcl.2011.09.049 | ||
66655406 | 166988 | 0 | None | 50 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 443 | 7 | 1 | 4 | 5.2 | CC(C)c1cccc(Cl)c1COc1ccc2c(c1)OCC21CCN(CCC(=O)O)CC1 | 10.1016/j.bmcl.2017.12.018 | ||
CHEMBL4205333 | 166988 | 0 | None | 50 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 443 | 7 | 1 | 4 | 5.2 | CC(C)c1cccc(Cl)c1COc1ccc2c(c1)OCC21CCN(CCC(=O)O)CC1 | 10.1016/j.bmcl.2017.12.018 | ||
CHEMBL4300295 | 166988 | 0 | None | 50 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 443 | 7 | 1 | 4 | 5.2 | CC(C)c1cccc(Cl)c1COc1ccc2c(c1)OCC21CCN(CCC(=O)O)CC1 | 10.1016/j.bmcl.2017.12.018 | ||
66655633 | 167038 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 395 | 3 | 1 | 3 | 3.9 | O=C(O)CCN1CCC2(CC1)COc1cc(C#Cc3ccccc3Cl)ccc12 | 10.1016/j.bmcl.2017.12.018 | ||
CHEMBL4213894 | 167038 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 395 | 3 | 1 | 3 | 3.9 | O=C(O)CCN1CCC2(CC1)COc1cc(C#Cc3ccccc3Cl)ccc12 | 10.1016/j.bmcl.2017.12.018 | ||
CHEMBL4300915 | 167038 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 395 | 3 | 1 | 3 | 3.9 | O=C(O)CCN1CCC2(CC1)COc1cc(C#Cc3ccccc3Cl)ccc12 | 10.1016/j.bmcl.2017.12.018 | ||
25182621 | 6193 | 0 | None | 4 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 326 | 4 | 3 | 5 | 3.5 | Cc1cc(O)ccc1NC(=O)c1cc(NC2CCCCC2)ncn1 | 10.1016/j.bmcl.2010.01.102 | ||
CHEMBL1081654 | 6193 | 0 | None | 4 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 326 | 4 | 3 | 5 | 3.5 | Cc1cc(O)ccc1NC(=O)c1cc(NC2CCCCC2)ncn1 | 10.1016/j.bmcl.2010.01.102 | ||
44412867 | 79332 | 0 | None | -660 | 3 | Human | 6.6 | pEC50 | = | 6.6 | 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 | 79332 | 0 | None | -660 | 3 | Human | 6.6 | pEC50 | = | 6.6 | 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 | ||
44412868 | 79354 | 0 | None | -812 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 406 | 6 | 1 | 5 | 4.8 | COc1ccc(-c2nc(-c3ccc(CCC(=O)O)cc3C)no2)cc1C(F)(F)F | 10.1016/j.bmcl.2006.04.084 | ||
CHEMBL211806 | 79354 | 0 | None | -812 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 406 | 6 | 1 | 5 | 4.8 | COc1ccc(-c2nc(-c3ccc(CCC(=O)O)cc3C)no2)cc1C(F)(F)F | 10.1016/j.bmcl.2006.04.084 | ||
44412908 | 77230 | 0 | None | -109 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 318 | 3 | 0 | 3 | 5.8 | Cc1ccccc1-c1noc(-c2ccc(C3CCCCC3)cc2)n1 | 10.1016/j.bmcl.2006.04.084 | ||
CHEMBL208786 | 77230 | 0 | None | -109 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 318 | 3 | 0 | 3 | 5.8 | Cc1ccccc1-c1noc(-c2ccc(C3CCCCC3)cc2)n1 | 10.1016/j.bmcl.2006.04.084 | ||
76955634 | 182862 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 383 | 6 | 2 | 3 | 5.3 | Cc1cc(O[C@H]2CC[C@H](C(C)(C)C)CC2)c(CNCC(=O)O)c2ccccc12 | 10.1021/acsmedchemlett.0c00631 | ||
CHEMBL4798888 | 182862 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 383 | 6 | 2 | 3 | 5.3 | Cc1cc(O[C@H]2CC[C@H](C(C)(C)C)CC2)c(CNCC(=O)O)c2ccccc12 | 10.1021/acsmedchemlett.0c00631 | ||
11682696 | 79535 | 0 | None | -245 | 3 | Human | 6.6 | pEC50 | = | 6.6 | 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 | 79535 | 0 | None | -245 | 3 | Human | 6.6 | pEC50 | = | 6.6 | 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 | ||
69263869 | 104230 | 0 | None | -63 | 4 | Human | 6.6 | pEC50 | = | 6.6 | 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 | 104230 | 0 | None | -63 | 4 | Human | 6.6 | pEC50 | = | 6.6 | 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 | ||
24825339 | 91334 | 0 | None | -66 | 3 | Human | 7.5 | pEC50 | = | 7.5 | 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 | 91334 | 0 | None | -66 | 3 | Human | 7.5 | pEC50 | = | 7.5 | 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 | ||
46866186 | 7250 | 0 | None | -6 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 307 | 11 | 2 | 3 | 3.8 | CCCCCCCOc1ccc(CC[C@](C)(N)C(=O)O)cc1 | 10.1016/j.bmcl.2010.01.118 | ||
CHEMBL1086171 | 7250 | 0 | None | -6 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 307 | 11 | 2 | 3 | 3.8 | CCCCCCCOc1ccc(CC[C@](C)(N)C(=O)O)cc1 | 10.1016/j.bmcl.2010.01.118 | ||
44138103 | 75431 | 0 | None | -131 | 4 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 468 | 5 | 1 | 7 | 5.1 | N#Cc1cc(OC(F)(F)F)cc(-c2nc(-c3ccc4c(c3)cc3n4CCC3CC(=O)O)no2)c1 | 10.1016/j.bmcl.2012.04.129 | ||
CHEMBL2048293 | 75431 | 0 | None | -131 | 4 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 468 | 5 | 1 | 7 | 5.1 | N#Cc1cc(OC(F)(F)F)cc(-c2nc(-c3ccc4c(c3)cc3n4CCC3CC(=O)O)no2)c1 | 10.1016/j.bmcl.2012.04.129 | ||
44600476 | 57102 | 6 | None | -14 | 3 | Human | 7.5 | pEC50 | = | 7.5 | 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 | 57102 | 6 | None | -14 | 3 | Human | 7.5 | pEC50 | = | 7.5 | 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 | ||
44412971 | 138405 | 0 | None | -102 | 3 | Human | 8.5 | pEC50 | = | 8.5 | 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 | 138405 | 0 | None | -102 | 3 | Human | 8.5 | pEC50 | = | 8.5 | 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 | ||
2924 | 1610 | 37 | None | -4 | 6 | 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/acs.jmedchem.5b00928 | ||
44398069 | 1610 | 37 | None | -4 | 6 | 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/acs.jmedchem.5b00928 | ||
9908268 | 1610 | 37 | None | -4 | 6 | 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/acs.jmedchem.5b00928 | ||
CHEMBL114606 | 1610 | 37 | None | -4 | 6 | 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/acs.jmedchem.5b00928 | ||
118877433 | 176766 | 0 | None | -14 | 3 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 459 | 8 | 3 | 4 | 4.5 | COc1ccccc1CC[C@@H]1CCc2cc([C@H]3CC[C@](N)(COP(=O)(O)O)C3)ccc2C1 | 10.1021/acs.jmedchem.8b01695 | ||
CHEMBL4637401 | 176766 | 0 | None | -14 | 3 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 459 | 8 | 3 | 4 | 4.5 | COc1ccccc1CC[C@@H]1CCc2cc([C@H]3CC[C@](N)(COP(=O)(O)O)C3)ccc2C1 | 10.1021/acs.jmedchem.8b01695 | ||
118877603 | 179848 | 0 | None | -4 | 3 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 425 | 10 | 3 | 4 | 4.1 | COCCCCC[C@@H]1CCc2cc([C@H]3CC[C@](N)(COP(=O)(O)O)C3)ccc2C1 | 10.1021/acs.jmedchem.0c01109 | ||
CHEMBL4752394 | 179848 | 0 | None | -4 | 3 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 425 | 10 | 3 | 4 | 4.1 | COCCCCC[C@@H]1CCc2cc([C@H]3CC[C@](N)(COP(=O)(O)O)C3)ccc2C1 | 10.1021/acs.jmedchem.0c01109 | ||
77846507 | 179187 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 437 | 6 | 1 | 3 | 6.4 | Cc1cc(O[C@H]2CC[C@H](C(C)(C)C)CC2)c(CN2CCC(CC(=O)O)C2)c2ccccc12 | 10.1021/acsmedchemlett.0c00631 | ||
CHEMBL4744455 | 179187 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 437 | 6 | 1 | 3 | 6.4 | Cc1cc(O[C@H]2CC[C@H](C(C)(C)C)CC2)c(CN2CCC(CC(=O)O)C2)c2ccccc12 | 10.1021/acsmedchemlett.0c00631 | ||
11496072 | 145491 | 0 | None | -32 | 3 | Human | 8.4 | pEC50 | = | 8.4 | 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 | 145491 | 0 | None | -32 | 3 | Human | 8.4 | pEC50 | = | 8.4 | 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 | ||
44422601 | 85155 | 0 | None | -8 | 5 | Human | 7.5 | pEC50 | = | 7.5 | 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 | 85155 | 0 | None | -8 | 5 | Human | 7.5 | pEC50 | = | 7.5 | 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 | ||
44422605 | 85149 | 0 | None | 2 | 3 | Human | 7.5 | pEC50 | = | 7.5 | 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 | ||
CHEMBL228103 | 85149 | 0 | None | 2 | 3 | Human | 7.5 | pEC50 | = | 7.5 | 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 | ||
66655585 | 166955 | 0 | None | 199 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 421 | 5 | 1 | 4 | 4.4 | O=C(O)CN1CCC2(CC1)COc1cc(OCc3c(Cl)cccc3Cl)ccc12 | 10.1016/j.bmcl.2017.12.018 | ||
CHEMBL4209307 | 166955 | 0 | None | 199 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 421 | 5 | 1 | 4 | 4.4 | O=C(O)CN1CCC2(CC1)COc1cc(OCc3c(Cl)cccc3Cl)ccc12 | 10.1016/j.bmcl.2017.12.018 | ||
CHEMBL4299904 | 166955 | 0 | None | 199 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 421 | 5 | 1 | 4 | 4.4 | O=C(O)CN1CCC2(CC1)COc1cc(OCc3c(Cl)cccc3Cl)ccc12 | 10.1016/j.bmcl.2017.12.018 | ||
66655579 | 166992 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 429 | 7 | 1 | 4 | 4.7 | CCc1cccc(Cl)c1COc1ccc2c(c1)OCC21CCCN(CCC(=O)O)C1 | 10.1016/j.bmcl.2017.12.018 | ||
CHEMBL4206573 | 166992 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 429 | 7 | 1 | 4 | 4.7 | CCc1cccc(Cl)c1COc1ccc2c(c1)OCC21CCCN(CCC(=O)O)C1 | 10.1016/j.bmcl.2017.12.018 | ||
CHEMBL4300331 | 166992 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 429 | 7 | 1 | 4 | 4.7 | CCc1cccc(Cl)c1COc1ccc2c(c1)OCC21CCCN(CCC(=O)O)C1 | 10.1016/j.bmcl.2017.12.018 | ||
145947321 | 167105 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 436 | 6 | 1 | 5 | 4.2 | O=C(O)CCN1CCC2(CC1)COc1cc(OCc3cc(Cl)nc(Cl)c3)ccc12 | 10.1016/j.bmcl.2017.12.018 | ||
CHEMBL4218094 | 167105 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 436 | 6 | 1 | 5 | 4.2 | O=C(O)CCN1CCC2(CC1)COc1cc(OCc3cc(Cl)nc(Cl)c3)ccc12 | 10.1016/j.bmcl.2017.12.018 | ||
CHEMBL4301951 | 167105 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 436 | 6 | 1 | 5 | 4.2 | O=C(O)CCN1CCC2(CC1)COc1cc(OCc3cc(Cl)nc(Cl)c3)ccc12 | 10.1016/j.bmcl.2017.12.018 | ||
66655208 | 167122 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 401 | 6 | 1 | 4 | 4.1 | O=C(O)CCN1CCC2(CC1)COc1cc(OCc3cccc(Cl)c3)ccc12 | 10.1016/j.bmcl.2017.12.018 | ||
CHEMBL4210080 | 167122 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 401 | 6 | 1 | 4 | 4.1 | O=C(O)CCN1CCC2(CC1)COc1cc(OCc3cccc(Cl)c3)ccc12 | 10.1016/j.bmcl.2017.12.018 | ||
CHEMBL4302153 | 167122 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 401 | 6 | 1 | 4 | 4.1 | O=C(O)CCN1CCC2(CC1)COc1cc(OCc3cccc(Cl)c3)ccc12 | 10.1016/j.bmcl.2017.12.018 | ||
107970 | 1609 | 76 | None | -77 | 4 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 307 | 12 | 3 | 3 | 3.2 | CCCCCCCCc1ccc(cc1)CCC(CO)(CO)N | 10.1016/j.bmcl.2017.12.018 | ||
2407 | 1609 | 76 | None | -77 | 4 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 307 | 12 | 3 | 3 | 3.2 | CCCCCCCCc1ccc(cc1)CCC(CO)(CO)N | 10.1016/j.bmcl.2017.12.018 | ||
4167 | 1609 | 76 | None | -77 | 4 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 307 | 12 | 3 | 3 | 3.2 | CCCCCCCCc1ccc(cc1)CCC(CO)(CO)N | 10.1016/j.bmcl.2017.12.018 | ||
CHEMBL314854 | 1609 | 76 | None | -77 | 4 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 307 | 12 | 3 | 3 | 3.2 | CCCCCCCCc1ccc(cc1)CCC(CO)(CO)N | 10.1016/j.bmcl.2017.12.018 | ||
DB08868 | 1609 | 76 | None | -77 | 4 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 307 | 12 | 3 | 3 | 3.2 | CCCCCCCCc1ccc(cc1)CCC(CO)(CO)N | 10.1016/j.bmcl.2017.12.018 | ||
67194420 | 142480 | 0 | None | -645 | 4 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 468 | 8 | 2 | 8 | 3.0 | CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NS(=O)(=O)CCO)no2)cc1C#N | nan | ||
CHEMBL3894716 | 142480 | 0 | None | -645 | 4 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 468 | 8 | 2 | 8 | 3.0 | CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NS(=O)(=O)CCO)no2)cc1C#N | nan | ||
25192001 | 7976 | 0 | None | -2 | 4 | Human | 7.5 | pEC50 | = | 7.5 | 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 | 7976 | 0 | None | -2 | 4 | Human | 7.5 | pEC50 | = | 7.5 | 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 | ||
44412604 | 137878 | 0 | None | -10 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 405 | 7 | 1 | 4 | 6.1 | Cc1cc(CCC(=O)O)ccc1-c1cc(-c2ccc(OC(C)C)c(C#N)c2)cs1 | 10.1016/j.bmcl.2006.04.064 | ||
CHEMBL377339 | 137878 | 0 | None | -10 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 405 | 7 | 1 | 4 | 6.1 | Cc1cc(CCC(=O)O)ccc1-c1cc(-c2ccc(OC(C)C)c(C#N)c2)cs1 | 10.1016/j.bmcl.2006.04.064 | ||
44412605 | 139024 | 0 | None | -2 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 405 | 7 | 1 | 4 | 6.1 | Cc1cc(CCC(=O)O)ccc1-c1csc(-c2ccc(OC(C)C)c(C#N)c2)c1 | 10.1016/j.bmcl.2006.04.064 | ||
CHEMBL379660 | 139024 | 0 | None | -2 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 405 | 7 | 1 | 4 | 6.1 | Cc1cc(CCC(=O)O)ccc1-c1csc(-c2ccc(OC(C)C)c(C#N)c2)c1 | 10.1016/j.bmcl.2006.04.064 | ||
46224714 | 197577 | 0 | None | -12 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 360 | 2 | 0 | 3 | 4.9 | Cc1nn(C(=O)/C=C/c2cccc(C(F)(F)F)c2)c2c1[C@H]1[C@@H](C2)C1(C)C | 10.1016/j.bmcl.2009.11.045 | ||
CHEMBL590134 | 197577 | 0 | None | -12 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 360 | 2 | 0 | 3 | 4.9 | Cc1nn(C(=O)/C=C/c2cccc(C(F)(F)F)c2)c2c1[C@H]1[C@@H](C2)C1(C)C | 10.1016/j.bmcl.2009.11.045 | ||
11545181 | 3952 | 4 | None | -1 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | 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 | 3952 | 4 | None | -1 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | 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 | 3952 | 4 | None | -1 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | 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 | ||
90660718 | 59669 | 0 | None | -3 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 391 | 4 | 0 | 5 | 3.9 | C/N=C1\S/C(=C/c2cc(C)n(Cc3c(F)cccc3F)c2C)C(=O)N1OC | nan | ||
CHEMBL1734070 | 59669 | 0 | None | -3 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 391 | 4 | 0 | 5 | 3.9 | C/N=C1\S/C(=C/c2cc(C)n(Cc3c(F)cccc3F)c2C)C(=O)N1OC | nan | ||
57400714 | 67568 | 0 | None | -1 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 375 | 3 | 0 | 4 | 4.0 | C/N=C1\S/C(=C\c2cc(C)n(Cc3c(F)cccc3F)c2C)C(=O)N1C | 10.1016/j.bmcl.2011.09.049 | ||
CHEMBL1910689 | 67568 | 0 | None | -1 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 375 | 3 | 0 | 4 | 4.0 | C/N=C1\S/C(=C\c2cc(C)n(Cc3c(F)cccc3F)c2C)C(=O)N1C | 10.1016/j.bmcl.2011.09.049 | ||
57390238 | 67561 | 0 | None | -7 | 3 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 377 | 2 | 0 | 4 | 4.4 | C/N=C1\S/C(=C\c2cc(C)n(-c3ccc(Cl)cc3F)c2C)C(=O)N1C | 10.1016/j.bmcl.2011.09.049 | ||
CHEMBL1910680 | 67561 | 0 | None | -7 | 3 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 377 | 2 | 0 | 4 | 4.4 | C/N=C1\S/C(=C\c2cc(C)n(-c3ccc(Cl)cc3F)c2C)C(=O)N1C | 10.1016/j.bmcl.2011.09.049 | ||
46224768 | 197619 | 0 | None | -20 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 293 | 2 | 0 | 4 | 3.2 | Cc1nn(C(=O)/C=C/c2cccnc2)c2c1[C@H]1[C@@H](C2)C1(C)C | 10.1016/j.bmcl.2009.11.045 | ||
CHEMBL590384 | 197619 | 0 | None | -20 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 293 | 2 | 0 | 4 | 3.2 | Cc1nn(C(=O)/C=C/c2cccnc2)c2c1[C@H]1[C@@H](C2)C1(C)C | 10.1016/j.bmcl.2009.11.045 | ||
77846675 | 178835 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 457 | 5 | 1 | 3 | 6.8 | CC(C)(C)[C@H]1CC[C@H](Oc2cc(Cl)c3ccccc3c2CN2CCC(C(=O)O)CC2)CC1 | 10.1021/acsmedchemlett.0c00631 | ||
CHEMBL4740175 | 178835 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 457 | 5 | 1 | 3 | 6.8 | CC(C)(C)[C@H]1CC[C@H](Oc2cc(Cl)c3ccccc3c2CN2CCC(C(=O)O)CC2)CC1 | 10.1021/acsmedchemlett.0c00631 | ||
46881877 | 7026 | 0 | None | -5 | 4 | Human | 5.4 | pEC50 | = | 5.4 | 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 | 7026 | 0 | None | -5 | 4 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 359 | 13 | 2 | 5 | 3.8 | CCCCCCCOc1ccc(CC[C@](C)(N)CCc2nnn[nH]2)cc1 | 10.1016/j.bmcl.2010.01.118 | ||
57398998 | 67570 | 0 | None | 3 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 375 | 3 | 0 | 4 | 4.0 | C/N=C1\S/C(=C\c2cc(C)n(Cc3ccc(F)cc3F)c2C)C(=O)N1C | 10.1016/j.bmcl.2011.09.049 | ||
CHEMBL1910691 | 67570 | 0 | None | 3 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 375 | 3 | 0 | 4 | 4.0 | C/N=C1\S/C(=C\c2cc(C)n(Cc3ccc(F)cc3F)c2C)C(=O)N1C | 10.1016/j.bmcl.2011.09.049 | ||
44439852 | 93413 | 0 | None | -47 | 2 | Human | 7.4 | pEC50 | = | 7.4 | 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 | ||
CHEMBL247766 | 93413 | 0 | None | -47 | 2 | Human | 7.4 | pEC50 | = | 7.4 | 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 | ||
77847766 | 180931 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 451 | 5 | 1 | 3 | 6.8 | Cc1cc(O[C@H]2CC[C@H](C(C)(C)C)CC2)c(CN2CCC(C)(C(=O)O)CC2)c2ccccc12 | 10.1021/acsmedchemlett.0c00631 | ||
CHEMBL4765011 | 180931 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 451 | 5 | 1 | 3 | 6.8 | Cc1cc(O[C@H]2CC[C@H](C(C)(C)C)CC2)c(CN2CCC(C)(C(=O)O)CC2)c2ccccc12 | 10.1021/acsmedchemlett.0c00631 | ||
58344502 | 142313 | 0 | None | -398 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 459 | 5 | 2 | 7 | 3.4 | CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4NC(=O)N3CC(O)C3)no2)cc1C#N | nan | ||
CHEMBL3893172 | 142313 | 0 | None | -398 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 459 | 5 | 2 | 7 | 3.4 | CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4NC(=O)N3CC(O)C3)no2)cc1C#N | nan | ||
66655999 | 167093 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 361 | 3 | 1 | 3 | 3.3 | O=C(O)CCN1CCC2(CC1)COc1cc(C#Cc3ccccc3)ccc12 | 10.1016/j.bmcl.2017.12.018 | ||
CHEMBL4208055 | 167093 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 361 | 3 | 1 | 3 | 3.3 | O=C(O)CCN1CCC2(CC1)COc1cc(C#Cc3ccccc3)ccc12 | 10.1016/j.bmcl.2017.12.018 | ||
CHEMBL4301752 | 167093 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 361 | 3 | 1 | 3 | 3.3 | O=C(O)CCN1CCC2(CC1)COc1cc(C#Cc3ccccc3)ccc12 | 10.1016/j.bmcl.2017.12.018 | ||
2924 | 1610 | 37 | None | -4 | 6 | Human | 8.4 | pEC50 | = | 8.4 | 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 | 1610 | 37 | None | -4 | 6 | Human | 8.4 | pEC50 | = | 8.4 | 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 | 1610 | 37 | None | -4 | 6 | Human | 8.4 | pEC50 | = | 8.4 | 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 | 1610 | 37 | None | -4 | 6 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N | 10.1016/j.bmc.2006.10.060 | ||
46872626 | 213 | 18 | None | 72 | 2 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 365 | 6 | 1 | 3 | 4.1 | OC(=O)C1CN(C1)Cc1ccc(cc1)OCc1ccc(c(c1)Cl)Cl | 10.1021/acs.jmedchem.5b00928 | ||
9496 | 213 | 18 | None | 72 | 2 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 365 | 6 | 1 | 3 | 4.1 | OC(=O)C1CN(C1)Cc1ccc(cc1)OCc1ccc(c(c1)Cl)Cl | 10.1021/acs.jmedchem.5b00928 | ||
CHEMBL3741589 | 213 | 18 | None | 72 | 2 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 365 | 6 | 1 | 3 | 4.1 | OC(=O)C1CN(C1)Cc1ccc(cc1)OCc1ccc(c(c1)Cl)Cl | 10.1021/acs.jmedchem.5b00928 | ||
52938427 | 2936 | 47 | None | -33 | 5 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 404 | 7 | 2 | 7 | 3.6 | OCCN[C@H]1CCc2c1cccc2c1noc(n1)c1ccc(c(c1)C#N)OC(C)C | 10.1016/j.bmcl.2019.06.042 | ||
5383 | 2936 | 47 | None | -33 | 5 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 404 | 7 | 2 | 7 | 3.6 | OCCN[C@H]1CCc2c1cccc2c1noc(n1)c1ccc(c(c1)C#N)OC(C)C | 10.1016/j.bmcl.2019.06.042 | ||
8709 | 2936 | 47 | None | -33 | 5 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 404 | 7 | 2 | 7 | 3.6 | OCCN[C@H]1CCc2c1cccc2c1noc(n1)c1ccc(c(c1)C#N)OC(C)C | 10.1016/j.bmcl.2019.06.042 | ||
CHEMBL3707247 | 2936 | 47 | None | -33 | 5 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 404 | 7 | 2 | 7 | 3.6 | OCCN[C@H]1CCc2c1cccc2c1noc(n1)c1ccc(c(c1)C#N)OC(C)C | 10.1016/j.bmcl.2019.06.042 | ||
DB12612 | 2936 | 47 | None | -33 | 5 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 404 | 7 | 2 | 7 | 3.6 | OCCN[C@H]1CCc2c1cccc2c1noc(n1)c1ccc(c(c1)C#N)OC(C)C | 10.1016/j.bmcl.2019.06.042 | ||
2924 | 1610 | 37 | None | -4 | 6 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N | 10.1021/jm050242f | ||
44398069 | 1610 | 37 | None | -4 | 6 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N | 10.1021/jm050242f | ||
9908268 | 1610 | 37 | None | -4 | 6 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N | 10.1021/jm050242f | ||
CHEMBL114606 | 1610 | 37 | None | -4 | 6 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N | 10.1021/jm050242f | ||
118877584 | 181871 | 0 | None | -7 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 411 | 9 | 3 | 4 | 3.7 | CCOCCC[C@H]1CCc2cc([C@H]3CC[C@](N)(COP(=O)(O)O)C3)ccc2C1 | 10.1021/acs.jmedchem.0c01109 | ||
CHEMBL4786296 | 181871 | 0 | None | -7 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 411 | 9 | 3 | 4 | 3.7 | CCOCCC[C@H]1CCc2cc([C@H]3CC[C@](N)(COP(=O)(O)O)C3)ccc2C1 | 10.1021/acs.jmedchem.0c01109 | ||
24825338 | 77357 | 0 | None | -467 | 3 | Human | 7.4 | pEC50 | = | 7.4 | 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 | 77357 | 0 | None | -467 | 3 | Human | 7.4 | pEC50 | = | 7.4 | 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 | ||
24825338 | 77357 | 0 | None | -467 | 3 | Human | 7.4 | pEC50 | = | 7.4 | 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 | 77357 | 0 | None | -467 | 3 | Human | 7.4 | pEC50 | = | 7.4 | 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 | ||
44412854 | 165378 | 0 | None | -4 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 376 | 5 | 1 | 4 | 5.4 | Cc1cc(CC(=O)O)ccc1-c1noc(-c2ccc(C3CCCCC3)cc2)n1 | 10.1016/j.bmcl.2006.04.084 | ||
CHEMBL425058 | 165378 | 0 | None | -4 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 376 | 5 | 1 | 4 | 5.4 | Cc1cc(CC(=O)O)ccc1-c1noc(-c2ccc(C3CCCCC3)cc2)n1 | 10.1016/j.bmcl.2006.04.084 | ||
90318298 | 179001 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 371 | 13 | 2 | 3 | 5.5 | CCCCCCCCOc1cc(C)c2ccccc2c1CNCCC(=O)O | 10.1021/acsmedchemlett.0c00631 | ||
CHEMBL4742052 | 179001 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 371 | 13 | 2 | 3 | 5.5 | CCCCCCCCOc1cc(C)c2ccccc2c1CNCCC(=O)O | 10.1021/acsmedchemlett.0c00631 | ||
44422579 | 85154 | 0 | None | -1 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 356 | 13 | 4 | 3 | 3.9 | CCCCCCCCc1cccc(NC[C@H](N)CCP(=O)(O)O)c1 | 10.1016/j.bmc.2006.10.060 | ||
CHEMBL228138 | 85154 | 0 | None | -1 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 356 | 13 | 4 | 3 | 3.9 | CCCCCCCCc1cccc(NC[C@H](N)CCP(=O)(O)O)c1 | 10.1016/j.bmc.2006.10.060 | ||
44412578 | 77778 | 0 | None | -26 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 391 | 7 | 1 | 7 | 3.3 | Cc1cc(CCC(=O)O)ccc1-c1nnn(-c2ccc(OC(C)C)c(C#N)c2)n1 | 10.1016/j.bmcl.2006.04.064 | ||
CHEMBL210345 | 77778 | 0 | None | -26 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 391 | 7 | 1 | 7 | 3.3 | Cc1cc(CCC(=O)O)ccc1-c1nnn(-c2ccc(OC(C)C)c(C#N)c2)n1 | 10.1016/j.bmcl.2006.04.064 | ||
11575913 | 77768 | 0 | None | 5 | 2 | Human | 7.4 | pEC50 | = | 7.4 | 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 | 77768 | 0 | None | 5 | 2 | Human | 7.4 | pEC50 | = | 7.4 | 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 | ||
54764919 | 69558 | 36 | None | -123 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 415 | 4 | 2 | 4 | 4.7 | COc1ccncc1C(=O)NC(=O)Nc1ccc(-c2ccccc2)c(C(F)(F)F)c1 | 10.1021/ml2001399 | ||
CHEMBL1938952 | 69558 | 36 | None | -123 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 415 | 4 | 2 | 4 | 4.7 | COc1ccncc1C(=O)NC(=O)Nc1ccc(-c2ccccc2)c(C(F)(F)F)c1 | 10.1021/ml2001399 | ||
16038017 | 138888 | 0 | None | -398 | 3 | Human | 7.4 | pEC50 | = | 7.4 | 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 | 138888 | 0 | None | -398 | 3 | Human | 7.4 | pEC50 | = | 7.4 | 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 | ||
52938426 | 3324 | 8 | None | -70 | 5 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 360 | 4 | 1 | 6 | 4.0 | N#Cc1cc(ccc1OC(C)C)c1onc(n1)c1cccc2c1CC[C@@H]2N | nan | ||
9889 | 3324 | 8 | None | -70 | 5 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 360 | 4 | 1 | 6 | 4.0 | N#Cc1cc(ccc1OC(C)C)c1onc(n1)c1cccc2c1CC[C@@H]2N | nan | ||
CHEMBL3899384 | 3324 | 8 | None | -70 | 5 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 360 | 4 | 1 | 6 | 4.0 | N#Cc1cc(ccc1OC(C)C)c1onc(n1)c1cccc2c1CC[C@@H]2N | nan | ||
44412621 | 77992 | 0 | None | -416 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 391 | 7 | 1 | 6 | 4.4 | Cc1cc(CCC(=O)O)ccc1-c1nnc(-c2ccc(OC(C)C)c(C#N)c2)o1 | 10.1016/j.bmcl.2006.04.064 | ||
CHEMBL211081 | 77992 | 0 | None | -416 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 391 | 7 | 1 | 6 | 4.4 | Cc1cc(CCC(=O)O)ccc1-c1nnc(-c2ccc(OC(C)C)c(C#N)c2)o1 | 10.1016/j.bmcl.2006.04.064 | ||
44422606 | 85147 | 0 | None | 2 | 5 | Human | 7.3 | pEC50 | = | 7.3 | 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 | 85147 | 0 | None | 2 | 5 | Human | 7.3 | pEC50 | = | 7.3 | 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 | ||
44342175 | 85095 | 0 | None | -2 | 4 | Human | 6.3 | pEC50 | = | 6.3 | Functional | 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 | 85095 | 0 | None | -2 | 4 | Human | 6.3 | pEC50 | = | 6.3 | Functional | 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 | 85095 | 0 | None | -2 | 4 | Human | 6.3 | pEC50 | = | 6.3 | Functional | 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 | ||
67196597 | 147430 | 0 | None | -562 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 482 | 9 | 1 | 8 | 3.6 | COCCS(=O)(=O)N[C@@H]1CCc2c(-c3noc(-c4ccc(OC(C)C)c(C#N)c4)n3)cccc21 | nan | ||
CHEMBL3933952 | 147430 | 0 | None | -562 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 482 | 9 | 1 | 8 | 3.6 | COCCS(=O)(=O)N[C@@H]1CCc2c(-c3noc(-c4ccc(OC(C)C)c(C#N)c4)n3)cccc21 | nan | ||
44439850 | 145494 | 0 | None | -24 | 3 | Human | 8.3 | pEC50 | = | 8.3 | 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 | 145494 | 0 | None | -24 | 3 | Human | 8.3 | pEC50 | = | 8.3 | 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 | ||
44439851 | 145114 | 0 | None | -37 | 3 | Human | 8.3 | pEC50 | = | 8.3 | 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 | 145114 | 0 | None | -37 | 3 | Human | 8.3 | pEC50 | = | 8.3 | 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 | ||
46872626 | 213 | 18 | None | 72 | 2 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 365 | 6 | 1 | 3 | 4.1 | OC(=O)C1CN(C1)Cc1ccc(cc1)OCc1ccc(c(c1)Cl)Cl | 10.1021/acs.jmedchem.5b00928 | ||
9496 | 213 | 18 | None | 72 | 2 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 365 | 6 | 1 | 3 | 4.1 | OC(=O)C1CN(C1)Cc1ccc(cc1)OCc1ccc(c(c1)Cl)Cl | 10.1021/acs.jmedchem.5b00928 | ||
CHEMBL3741589 | 213 | 18 | None | 72 | 2 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 365 | 6 | 1 | 3 | 4.1 | OC(=O)C1CN(C1)Cc1ccc(cc1)OCc1ccc(c(c1)Cl)Cl | 10.1021/acs.jmedchem.5b00928 | ||
44438259 | 93394 | 0 | None | 2 | 2 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 399 | 12 | 4 | 4 | 3.5 | CCCCCCCCc1ccc([C@@H]2C[C@@H](COP(=O)(O)O)N[C@H]2CO)cc1 | 10.1016/j.bmcl.2006.10.014 | ||
44438260 | 93394 | 0 | None | 2 | 2 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 399 | 12 | 4 | 4 | 3.5 | CCCCCCCCc1ccc([C@@H]2C[C@@H](COP(=O)(O)O)N[C@H]2CO)cc1 | 10.1016/j.bmcl.2006.10.014 | ||
CHEMBL247699 | 93394 | 0 | None | 2 | 2 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 399 | 12 | 4 | 4 | 3.5 | CCCCCCCCc1ccc([C@@H]2C[C@@H](COP(=O)(O)O)N[C@H]2CO)cc1 | 10.1016/j.bmcl.2006.10.014 | ||
44406009 | 72364 | 0 | None | -10 | 4 | Human | 7.3 | pEC50 | = | 7.3 | 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 | 72364 | 0 | None | -10 | 4 | Human | 7.3 | pEC50 | = | 7.3 | 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 | ||
46224769 | 199158 | 0 | None | -251 | 4 | Human | 6.3 | pEC50 | = | 6.3 | 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 | 199158 | 0 | None | -251 | 4 | Human | 6.3 | pEC50 | = | 6.3 | 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 | ||
57397320 | 67567 | 0 | None | 1 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 357 | 3 | 0 | 4 | 3.8 | C/N=C1\S/C(=C\c2cc(C)n(Cc3ccccc3F)c2C)C(=O)N1C | 10.1016/j.bmcl.2011.09.049 | ||
CHEMBL1910688 | 67567 | 0 | None | 1 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 357 | 3 | 0 | 4 | 3.8 | C/N=C1\S/C(=C\c2cc(C)n(Cc3ccccc3F)c2C)C(=O)N1C | 10.1016/j.bmcl.2011.09.049 | ||
11588811 | 3949 | 39 | None | 1 | 4 | Human | 7.3 | pEC50 | = | 7.3 | 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 | 3949 | 39 | None | 1 | 4 | Human | 7.3 | pEC50 | = | 7.3 | 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 | 3949 | 39 | None | 1 | 4 | Human | 7.3 | pEC50 | = | 7.3 | 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 | 3949 | 39 | None | 1 | 4 | Human | 7.3 | pEC50 | = | 7.3 | 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 | ||
11501873 | 139617 | 0 | None | -275 | 3 | Human | 6.3 | pEC50 | = | 6.3 | 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 | 139617 | 0 | None | -275 | 3 | Human | 6.3 | pEC50 | = | 6.3 | 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 | ||
52938427 | 2936 | 47 | None | -33 | 5 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 404 | 7 | 2 | 7 | 3.6 | OCCN[C@H]1CCc2c1cccc2c1noc(n1)c1ccc(c(c1)C#N)OC(C)C | nan | ||
5383 | 2936 | 47 | None | -33 | 5 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 404 | 7 | 2 | 7 | 3.6 | OCCN[C@H]1CCc2c1cccc2c1noc(n1)c1ccc(c(c1)C#N)OC(C)C | nan | ||
8709 | 2936 | 47 | None | -33 | 5 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 404 | 7 | 2 | 7 | 3.6 | OCCN[C@H]1CCc2c1cccc2c1noc(n1)c1ccc(c(c1)C#N)OC(C)C | nan | ||
CHEMBL3707247 | 2936 | 47 | None | -33 | 5 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 404 | 7 | 2 | 7 | 3.6 | OCCN[C@H]1CCc2c1cccc2c1noc(n1)c1ccc(c(c1)C#N)OC(C)C | nan | ||
DB12612 | 2936 | 47 | None | -33 | 5 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 404 | 7 | 2 | 7 | 3.6 | OCCN[C@H]1CCc2c1cccc2c1noc(n1)c1ccc(c(c1)C#N)OC(C)C | nan | ||
25110382 | 145576 | 0 | None | -354 | 5 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 366 | 6 | 1 | 6 | 4.2 | CCOc1ccc(-c2nc(-c3cccc4c3CCC4O)no2)cc1OCC | nan | ||
CHEMBL3919445 | 145576 | 0 | None | -354 | 5 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 366 | 6 | 1 | 6 | 4.2 | CCOc1ccc(-c2nc(-c3cccc4c3CCC4O)no2)cc1OCC | nan | ||
58344715 | 142541 | 0 | None | -575 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 468 | 8 | 2 | 8 | 3.0 | CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4NS(=O)(=O)CCO)no2)cc1C#N | nan | ||
CHEMBL3895230 | 142541 | 0 | None | -575 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 468 | 8 | 2 | 8 | 3.0 | CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4NS(=O)(=O)CCO)no2)cc1C#N | nan | ||
11224984 | 8629 | 18 | None | -13 | 4 | Human | 7.2 | pEC50 | = | 7.2 | 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 | 8629 | 18 | None | -13 | 4 | Human | 7.2 | pEC50 | = | 7.2 | 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 | ||
44412882 | 76935 | 0 | None | -1174 | 3 | Human | 6.2 | pEC50 | = | 6.2 | 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 | 76935 | 0 | None | -1174 | 3 | Human | 6.2 | pEC50 | = | 6.2 | 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 | ||
25182926 | 7859 | 0 | None | 3 | 3 | Human | 8.2 | pEC50 | = | 8.2 | 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 | 7859 | 0 | None | 3 | 3 | Human | 8.2 | pEC50 | = | 8.2 | 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 | ||
66655775 | 167124 | 0 | None | 158 | 2 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 453 | 6 | 1 | 4 | 4.9 | O=C(O)CCN1CCC2(CC1)COc1c2ccc(OCc2c(Cl)cccc2Cl)c1F | 10.1016/j.bmcl.2017.12.018 | ||
CHEMBL4208771 | 167124 | 0 | None | 158 | 2 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 453 | 6 | 1 | 4 | 4.9 | O=C(O)CCN1CCC2(CC1)COc1c2ccc(OCc2c(Cl)cccc2Cl)c1F | 10.1016/j.bmcl.2017.12.018 | ||
CHEMBL4302165 | 167124 | 0 | None | 158 | 2 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 453 | 6 | 1 | 4 | 4.9 | O=C(O)CCN1CCC2(CC1)COc1c2ccc(OCc2c(Cl)cccc2Cl)c1F | 10.1016/j.bmcl.2017.12.018 | ||
11689680 | 79230 | 0 | None | -102 | 3 | Human | 8.2 | pEC50 | = | 8.2 | 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 | 79230 | 0 | None | -102 | 3 | Human | 8.2 | pEC50 | = | 8.2 | 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 | ||
11689680 | 79230 | 0 | None | -102 | 3 | Human | 8.2 | pEC50 | = | 8.2 | 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 | 79230 | 0 | None | -102 | 3 | Human | 8.2 | pEC50 | = | 8.2 | 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 | ||
90318624 | 180753 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 423 | 5 | 1 | 3 | 6.1 | CC(C)(C)[C@H]1CC[C@H](Oc2ccc3ccccc3c2CN2CCC(C(=O)O)CC2)CC1 | 10.1021/acsmedchemlett.0c00631 | ||
CHEMBL4762836 | 180753 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 423 | 5 | 1 | 3 | 6.1 | CC(C)(C)[C@H]1CC[C@H](Oc2ccc3ccccc3c2CN2CCC(C(=O)O)CC2)CC1 | 10.1021/acsmedchemlett.0c00631 | ||
57395471 | 67578 | 0 | None | -58 | 3 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 389 | 4 | 0 | 4 | 4.7 | CC/N=C1\S/C(=C\c2cc(C)n(-c3ccc(F)cc3F)c2C)C(=O)N1CC | 10.1016/j.bmcl.2011.09.049 | ||
CHEMBL1910800 | 67578 | 0 | None | -58 | 3 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 389 | 4 | 0 | 4 | 4.7 | CC/N=C1\S/C(=C\c2cc(C)n(-c3ccc(F)cc3F)c2C)C(=O)N1CC | 10.1016/j.bmcl.2011.09.049 | ||
45377662 | 83702 | 0 | None | -204 | 4 | Human | 7.2 | pEC50 | = | 7.2 | 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 | 83702 | 0 | None | -204 | 4 | Human | 7.2 | pEC50 | = | 7.2 | 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 | ||
56601979 | 167108 | 0 | None | 19 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 449 | 6 | 1 | 4 | 5.0 | CC(CN1CCC2(CC1)COc1cc(OCc3c(Cl)cccc3Cl)ccc12)C(=O)O | 10.1016/j.bmcl.2017.12.018 | ||
CHEMBL4217349 | 167108 | 0 | None | 19 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 449 | 6 | 1 | 4 | 5.0 | CC(CN1CCC2(CC1)COc1cc(OCc3c(Cl)cccc3Cl)ccc12)C(=O)O | 10.1016/j.bmcl.2017.12.018 | ||
CHEMBL4301966 | 167108 | 0 | None | 19 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 449 | 6 | 1 | 4 | 5.0 | CC(CN1CCC2(CC1)COc1cc(OCc3c(Cl)cccc3Cl)ccc12)C(=O)O | 10.1016/j.bmcl.2017.12.018 | ||
66655050 | 167140 | 0 | None | 100 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 419 | 6 | 1 | 4 | 4.3 | O=C(O)CCN1CCC2(CC1)COc1cc(OCc3c(F)cccc3Cl)ccc12 | 10.1016/j.bmcl.2017.12.018 | ||
CHEMBL4207361 | 167140 | 0 | None | 100 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 419 | 6 | 1 | 4 | 4.3 | O=C(O)CCN1CCC2(CC1)COc1cc(OCc3c(F)cccc3Cl)ccc12 | 10.1016/j.bmcl.2017.12.018 | ||
CHEMBL4302356 | 167140 | 0 | None | 100 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 419 | 6 | 1 | 4 | 4.3 | O=C(O)CCN1CCC2(CC1)COc1cc(OCc3c(F)cccc3Cl)ccc12 | 10.1016/j.bmcl.2017.12.018 | ||
11452022 | 3539 | 33 | None | -3 | 6 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CC[C@@](COP(=O)(O)O)(CO)N | 10.1021/jm200609t | ||
6996 | 3539 | 33 | None | -3 | 6 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CC[C@@](COP(=O)(O)O)(CO)N | 10.1021/jm200609t | ||
CHEMBL366208 | 3539 | 33 | None | -3 | 6 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CC[C@@](COP(=O)(O)O)(CO)N | 10.1021/jm200609t | ||
57398996 | 67558 | 1 | None | -1 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 343 | 2 | 0 | 4 | 3.8 | C/N=C1\S/C(=C\c2cc(C)n(-c3ccc(F)cc3)c2C)C(=O)N1C | 10.1016/j.bmcl.2011.09.049 | ||
CHEMBL1910674 | 67558 | 1 | None | -1 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 343 | 2 | 0 | 4 | 3.8 | C/N=C1\S/C(=C\c2cc(C)n(-c3ccc(F)cc3)c2C)C(=O)N1C | 10.1016/j.bmcl.2011.09.049 | ||
77846591 | 181303 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 451 | 7 | 1 | 3 | 6.8 | CCC(C)(C)[C@H]1CC[C@H](Oc2cc(C)c3ccccc3c2CN2CCC(C(=O)O)CC2)CC1 | 10.1021/acsmedchemlett.0c00631 | ||
CHEMBL4779029 | 181303 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 451 | 7 | 1 | 3 | 6.8 | CCC(C)(C)[C@H]1CC[C@H](Oc2cc(C)c3ccccc3c2CN2CCC(C(=O)O)CC2)CC1 | 10.1021/acsmedchemlett.0c00631 | ||
66655836 | 166998 | 0 | None | 39 | 2 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 449 | 6 | 1 | 4 | 5.1 | Cc1cc(Cl)c(COc2ccc3c(c2)OCC32CCN(CCC(=O)O)CC2)c(Cl)c1 | 10.1016/j.bmcl.2017.12.018 | ||
CHEMBL4213167 | 166998 | 0 | None | 39 | 2 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 449 | 6 | 1 | 4 | 5.1 | Cc1cc(Cl)c(COc2ccc3c(c2)OCC32CCN(CCC(=O)O)CC2)c(Cl)c1 | 10.1016/j.bmcl.2017.12.018 | ||
CHEMBL4300404 | 166998 | 0 | None | 39 | 2 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 449 | 6 | 1 | 4 | 5.1 | Cc1cc(Cl)c(COc2ccc3c(c2)OCC32CCN(CCC(=O)O)CC2)c(Cl)c1 | 10.1016/j.bmcl.2017.12.018 | ||
1776080 | 67551 | 7 | None | -3 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 343 | 2 | 0 | 4 | 3.8 | C/N=C1\S/C(=C\c2cc(C)n(-c3ccccc3F)c2C)C(=O)N1C | 10.1016/j.bmcl.2011.09.049 | ||
CHEMBL1910655 | 67551 | 7 | None | -3 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 343 | 2 | 0 | 4 | 3.8 | C/N=C1\S/C(=C\c2cc(C)n(-c3ccccc3F)c2C)C(=O)N1C | 10.1016/j.bmcl.2011.09.049 | ||
11603726 | 76477 | 0 | None | -588 | 3 | Human | 7.1 | pEC50 | = | 7.1 | 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 | 76477 | 0 | None | -588 | 3 | Human | 7.1 | pEC50 | = | 7.1 | 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 | ||
44422573 | 85131 | 0 | None | -2 | 4 | Human | 7.1 | pEC50 | = | 7.1 | 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 | 85131 | 0 | None | -2 | 4 | Human | 7.1 | pEC50 | = | 7.1 | 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 | ||
58344692 | 144389 | 0 | None | -758 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 459 | 5 | 2 | 7 | 3.4 | CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NC(=O)N3CC(O)C3)no2)cc1C#N | nan | ||
CHEMBL3910269 | 144389 | 0 | None | -758 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 459 | 5 | 2 | 7 | 3.4 | CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NC(=O)N3CC(O)C3)no2)cc1C#N | nan | ||
145948099 | 167157 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 469 | 5 | 1 | 5 | 3.8 | O=C(O)CN1CCC2(CC1)COc1cc(S(=O)(=O)Cc3c(Cl)cccc3Cl)ccc12 | 10.1016/j.bmcl.2017.12.018 | ||
CHEMBL4209494 | 167157 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 469 | 5 | 1 | 5 | 3.8 | O=C(O)CN1CCC2(CC1)COc1cc(S(=O)(=O)Cc3c(Cl)cccc3Cl)ccc12 | 10.1016/j.bmcl.2017.12.018 | ||
CHEMBL4302573 | 167157 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 469 | 5 | 1 | 5 | 3.8 | O=C(O)CN1CCC2(CC1)COc1cc(S(=O)(=O)Cc3c(Cl)cccc3Cl)ccc12 | 10.1016/j.bmcl.2017.12.018 | ||
136212602 | 11648 | 7 | None | 2 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 369 | 11 | 4 | 4 | 3.6 | CCCCCCCCc1ccc2nc([C@@H](N)COP(=O)(O)O)[nH]c2c1 | 10.1016/j.bmcl.2011.09.049 | ||
44394498 | 11648 | 7 | None | 2 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 369 | 11 | 4 | 4 | 3.6 | CCCCCCCCc1ccc2nc([C@@H](N)COP(=O)(O)O)[nH]c2c1 | 10.1016/j.bmcl.2011.09.049 | ||
CHEMBL1181619 | 11648 | 7 | None | 2 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 369 | 11 | 4 | 4 | 3.6 | CCCCCCCCc1ccc2nc([C@@H](N)COP(=O)(O)O)[nH]c2c1 | 10.1016/j.bmcl.2011.09.049 | ||
CHEMBL1910653 | 11648 | 7 | None | 2 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 369 | 11 | 4 | 4 | 3.6 | CCCCCCCCc1ccc2nc([C@@H](N)COP(=O)(O)O)[nH]c2c1 | 10.1016/j.bmcl.2011.09.049 | ||
46224715 | 197578 | 0 | None | -7 | 4 | Human | 7.1 | pEC50 | = | 7.1 | 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 | 197578 | 0 | None | -7 | 4 | Human | 7.1 | pEC50 | = | 7.1 | 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 | ||
11611053 | 77589 | 0 | None | -912 | 3 | Human | 6.1 | pEC50 | = | 6.1 | 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 | 77589 | 0 | None | -912 | 3 | Human | 6.1 | pEC50 | = | 6.1 | 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 | ||
44412883 | 76944 | 0 | None | -58 | 3 | Human | 6.1 | pEC50 | = | 6.1 | 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 | 76944 | 0 | None | -58 | 3 | Human | 6.1 | pEC50 | = | 6.1 | 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 | ||
44547414 | 68001 | 0 | None | -67 | 6 | Human | 7.1 | pEC50 | = | 7.1 | 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 | 68001 | 0 | None | -67 | 6 | Human | 7.1 | pEC50 | = | 7.1 | 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 | ||
44439851 | 145114 | 0 | None | -37 | 3 | Human | 7.1 | pEC50 | = | 7.1 | 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 | 145114 | 0 | None | -37 | 3 | Human | 7.1 | pEC50 | = | 7.1 | 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 | ||
11662328 | 91333 | 0 | None | -33 | 3 | Human | 8.0 | pEC50 | = | 8 | 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 | 91333 | 0 | None | -33 | 3 | Human | 8.0 | pEC50 | = | 8 | 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 | ||
46224712 | 199118 | 0 | None | -35 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 352 | 4 | 0 | 5 | 3.9 | COc1ccc(/C=C/C(=O)n2nc(C)c3c2C[C@@H]2[C@H]3C2(C)C)cc1OC | 10.1016/j.bmcl.2009.11.045 | ||
CHEMBL600762 | 199118 | 0 | None | -35 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 352 | 4 | 0 | 5 | 3.9 | COc1ccc(/C=C/C(=O)n2nc(C)c3c2C[C@@H]2[C@H]3C2(C)C)cc1OC | 10.1016/j.bmcl.2009.11.045 | ||
11697013 | 77872 | 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 | 77872 | 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 | ||
11697013 | 77872 | 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 | 77872 | 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 | ||
25182773 | 7545 | 0 | None | -53 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 443 | 7 | 2 | 6 | 3.2 | Cc1cc(S(N)(=O)=O)ccc1NC(=O)c1cc(N(CC2CC2)C2CCCCC2)ncn1 | 10.1016/j.bmcl.2010.01.102 | ||
CHEMBL1088177 | 7545 | 0 | None | -53 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 443 | 7 | 2 | 6 | 3.2 | Cc1cc(S(N)(=O)=O)ccc1NC(=O)c1cc(N(CC2CC2)C2CCCCC2)ncn1 | 10.1016/j.bmcl.2010.01.102 | ||
44607575 | 52267 | 0 | None | -69 | 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 | 52267 | 0 | None | -69 | 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 | ||
44607577 | 43645 | 0 | None | -120 | 2 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 415 | 5 | 1 | 2 | 7.8 | CC(C)c1cccc(C(C)C)c1NC(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1 | nan | ||
CHEMBL1511839 | 43645 | 0 | None | -120 | 2 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 415 | 5 | 1 | 2 | 7.8 | CC(C)c1cccc(C(C)C)c1NC(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1 | nan | ||
2328694 | 53446 | 2 | None | -8 | 5 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 408 | 6 | 2 | 3 | 5.2 | O=C(Nc1ccccc1)Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 | nan | ||
CHEMBL1603615 | 53446 | 2 | None | -8 | 5 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 408 | 6 | 2 | 3 | 5.2 | O=C(Nc1ccccc1)Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 | nan | ||
46872388 | 136248 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 303 | 8 | 1 | 3 | 3.4 | CCCCCC(=O)c1ccc(CN2CCC(C(=O)O)C2)cc1 | 10.1021/acs.jmedchem.5b00928 | ||
CHEMBL3741172 | 136248 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 303 | 8 | 1 | 3 | 3.4 | CCCCCC(=O)c1ccc(CN2CCC(C(=O)O)C2)cc1 | 10.1021/acs.jmedchem.5b00928 | ||
4492589 | 30692 | 7 | None | -181 | 4 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 359 | 3 | 1 | 2 | 6.1 | Cc1cccc(C)c1NC(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1 | 10.1016/j.bmcl.2011.06.132 | ||
CHEMBL1397874 | 30692 | 7 | None | -181 | 4 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 359 | 3 | 1 | 2 | 6.1 | Cc1cccc(C)c1NC(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1 | 10.1016/j.bmcl.2011.06.132 | ||
44607578 | 52068 | 0 | None | -45 | 2 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 379 | 7 | 1 | 4 | 5.5 | CCOc1ccc(OC)cc1-c1ccc(C(=O)Nc2c(C)cccc2CC)o1 | nan | ||
CHEMBL1589684 | 52068 | 0 | None | -45 | 2 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 379 | 7 | 1 | 4 | 5.5 | CCOc1ccc(OC)cc1-c1ccc(C(=O)Nc2c(C)cccc2CC)o1 | nan | ||
59451874 | 136123 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 289 | 8 | 1 | 3 | 3.0 | CCCCCC(=O)c1ccc(CN2CC(C(=O)O)C2)cc1 | 10.1021/acs.jmedchem.5b00928 | ||
CHEMBL3740009 | 136123 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 289 | 8 | 1 | 3 | 3.0 | CCCCCC(=O)c1ccc(CN2CC(C(=O)O)C2)cc1 | 10.1021/acs.jmedchem.5b00928 | ||
46872386 | 136073 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 323 | 6 | 1 | 3 | 3.0 | O=C(Cc1ccccc1)c1ccc(CN2CCC(C(=O)O)C2)cc1 | 10.1021/acs.jmedchem.5b00928 | ||
CHEMBL3739593 | 136073 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 323 | 6 | 1 | 3 | 3.0 | O=C(Cc1ccccc1)c1ccc(CN2CCC(C(=O)O)C2)cc1 | 10.1021/acs.jmedchem.5b00928 | ||
59451795 | 136183 | 1 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 309 | 6 | 1 | 3 | 2.6 | O=C(Cc1ccccc1)c1ccc(CN2CC(C(=O)O)C2)cc1 | 10.1021/acs.jmedchem.5b00928 | ||
CHEMBL3740604 | 136183 | 1 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 309 | 6 | 1 | 3 | 2.6 | O=C(Cc1ccccc1)c1ccc(CN2CC(C(=O)O)C2)cc1 | 10.1021/acs.jmedchem.5b00928 | ||
6217704 | 32367 | 3 | None | 7 | 6 | Human | 7.5 | pIC50 | = | 7.5 | 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 | 32367 | 3 | None | 7 | 6 | Human | 7.5 | pIC50 | = | 7.5 | 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 | ||
59451808 | 136223 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 317 | 9 | 1 | 3 | 3.7 | CCCCCCC(=O)c1ccc(CN2CCC(C(=O)O)C2)cc1 | 10.1021/acs.jmedchem.5b00928 | ||
CHEMBL3740964 | 136223 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 317 | 9 | 1 | 3 | 3.7 | CCCCCCC(=O)c1ccc(CN2CCC(C(=O)O)C2)cc1 | 10.1021/acs.jmedchem.5b00928 | ||
46872389 | 136106 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 303 | 9 | 1 | 3 | 3.4 | CCCCCCC(=O)c1ccc(CN2CC(C(=O)O)C2)cc1 | 10.1021/acs.jmedchem.5b00928 | ||
CHEMBL3739887 | 136106 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 303 | 9 | 1 | 3 | 3.4 | CCCCCCC(=O)c1ccc(CN2CC(C(=O)O)C2)cc1 | 10.1021/acs.jmedchem.5b00928 | ||
59451857 | 136142 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 391 | 6 | 1 | 3 | 4.3 | O=C(Cc1ccc(Cl)c(Cl)c1)c1ccc(CN2CCC(C(=O)O)C2)cc1 | 10.1021/acs.jmedchem.5b00928 | ||
CHEMBL3740180 | 136142 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 391 | 6 | 1 | 3 | 4.3 | O=C(Cc1ccc(Cl)c(Cl)c1)c1ccc(CN2CCC(C(=O)O)C2)cc1 | 10.1021/acs.jmedchem.5b00928 | ||
59451852 | 136339 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 377 | 6 | 1 | 3 | 3.9 | O=C(Cc1ccc(Cl)c(Cl)c1)c1ccc(CN2CC(C(=O)O)C2)cc1 | 10.1021/acs.jmedchem.5b00928 | ||
CHEMBL3741988 | 136339 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 377 | 6 | 1 | 3 | 3.9 | O=C(Cc1ccc(Cl)c(Cl)c1)c1ccc(CN2CC(C(=O)O)C2)cc1 | 10.1021/acs.jmedchem.5b00928 | ||
1363299 | 32724 | 10 | None | -37 | 5 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 359 | 3 | 1 | 2 | 6.1 | Cc1cccc(C)c1NC(=O)c1ccc(-c2ccc(Cl)cc2Cl)o1 | nan | ||
CHEMBL1415555 | 32724 | 10 | None | -37 | 5 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 359 | 3 | 1 | 2 | 6.1 | Cc1cccc(C)c1NC(=O)c1ccc(-c2ccc(Cl)cc2Cl)o1 | nan | ||
71450073 | 82177 | 0 | None | -288 | 4 | Human | 6.0 | pIC50 | = | 6.0 | 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 | 82177 | 0 | None | -288 | 4 | Human | 6.0 | pIC50 | = | 6.0 | 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 | ||
11363176 | 3100 | 42 | None | -3 | 4 | Human | 8.1 | pEC50 | = | 8.1 | 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 | 3100 | 42 | None | -3 | 4 | Human | 8.1 | pEC50 | = | 8.1 | 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 | 3100 | 42 | None | -3 | 4 | Human | 8.1 | pEC50 | = | 8.1 | 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 | 3100 | 42 | None | -3 | 4 | Human | 8.1 | pEC50 | = | 8.1 | 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 | ||
52938427 | 2936 | 47 | None | -33 | 5 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 404 | 7 | 2 | 7 | 3.6 | OCCN[C@H]1CCc2c1cccc2c1noc(n1)c1ccc(c(c1)C#N)OC(C)C | None | ||
5383 | 2936 | 47 | None | -33 | 5 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 404 | 7 | 2 | 7 | 3.6 | OCCN[C@H]1CCc2c1cccc2c1noc(n1)c1ccc(c(c1)C#N)OC(C)C | None | ||
8709 | 2936 | 47 | None | -33 | 5 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 404 | 7 | 2 | 7 | 3.6 | OCCN[C@H]1CCc2c1cccc2c1noc(n1)c1ccc(c(c1)C#N)OC(C)C | None | ||
CHEMBL3707247 | 2936 | 47 | None | -33 | 5 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 404 | 7 | 2 | 7 | 3.6 | OCCN[C@H]1CCc2c1cccc2c1noc(n1)c1ccc(c(c1)C#N)OC(C)C | None | ||
DB12612 | 2936 | 47 | None | -33 | 5 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 404 | 7 | 2 | 7 | 3.6 | OCCN[C@H]1CCc2c1cccc2c1noc(n1)c1ccc(c(c1)C#N)OC(C)C | None | ||
44599207 | 3552 | 40 | None | -3 | 5 | Human | 8.1 | pEC50 | = | 8.1 | 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 | 3552 | 40 | None | -3 | 5 | Human | 8.1 | pEC50 | = | 8.1 | 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 | 3552 | 40 | None | -3 | 5 | Human | 8.1 | pEC50 | = | 8.1 | 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 | 3552 | 40 | None | -3 | 5 | Human | 8.1 | pEC50 | = | 8.1 | 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 | 3552 | 40 | None | -3 | 5 | Human | 8.1 | pEC50 | = | 8.1 | 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 | ||
107970 | 1609 | 76 | None | -77 | 4 | Human | 8.0 | pEC50 | = | 8.0 | Functional | Drug Central | 307 | 12 | 3 | 3 | 3.2 | CCCCCCCCc1ccc(cc1)CCC(CO)(CO)N | None | ||
2407 | 1609 | 76 | None | -77 | 4 | Human | 8.0 | pEC50 | = | 8.0 | Functional | Drug Central | 307 | 12 | 3 | 3 | 3.2 | CCCCCCCCc1ccc(cc1)CCC(CO)(CO)N | None | ||
4167 | 1609 | 76 | None | -77 | 4 | Human | 8.0 | pEC50 | = | 8.0 | Functional | Drug Central | 307 | 12 | 3 | 3 | 3.2 | CCCCCCCCc1ccc(cc1)CCC(CO)(CO)N | None | ||
CHEMBL314854 | 1609 | 76 | None | -77 | 4 | Human | 8.0 | pEC50 | = | 8.0 | Functional | Drug Central | 307 | 12 | 3 | 3 | 3.2 | CCCCCCCCc1ccc(cc1)CCC(CO)(CO)N | None | ||
DB08868 | 1609 | 76 | None | -77 | 4 | Human | 8.0 | pEC50 | = | 8.0 | Functional | Drug Central | 307 | 12 | 3 | 3 | 3.2 | CCCCCCCCc1ccc(cc1)CCC(CO)(CO)N | None | ||
52938426 | 3324 | 8 | None | -70 | 5 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Guide to Pharmacology | 360 | 4 | 1 | 6 | 4.0 | N#Cc1cc(ccc1OC(C)C)c1onc(n1)c1cccc2c1CC[C@@H]2N | 29608575 | ||
9889 | 3324 | 8 | None | -70 | 5 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Guide to Pharmacology | 360 | 4 | 1 | 6 | 4.0 | N#Cc1cc(ccc1OC(C)C)c1onc(n1)c1cccc2c1CC[C@@H]2N | 29608575 | ||
CHEMBL3899384 | 3324 | 8 | None | -70 | 5 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Guide to Pharmacology | 360 | 4 | 1 | 6 | 4.0 | N#Cc1cc(ccc1OC(C)C)c1onc(n1)c1cccc2c1CC[C@@H]2N | 29608575 | ||
44623998 | 1566 | 33 | None | -75 | 8 | Human | 7.6 | pEC50 | = | 7.6 | Functional | Guide to Pharmacology | 457 | 6 | 2 | 2 | 6.9 | OC(=O)C[C@H]1CCc2c1[nH]c1c2cc(cc1)OCc1ccc(c(c1)C(F)(F)F)C1CCCC1 | 25516790 | ||
9331 | 1566 | 33 | None | -75 | 8 | Human | 7.6 | pEC50 | = | 7.6 | Functional | Guide to Pharmacology | 457 | 6 | 2 | 2 | 6.9 | OC(=O)C[C@H]1CCc2c1[nH]c1c2cc(cc1)OCc1ccc(c(c1)C(F)(F)F)C1CCCC1 | 25516790 | ||
CHEMBL3358920 | 1566 | 33 | None | -75 | 8 | Human | 7.6 | pEC50 | = | 7.6 | Functional | Guide to Pharmacology | 457 | 6 | 2 | 2 | 6.9 | OC(=O)C[C@H]1CCc2c1[nH]c1c2cc(cc1)OCc1ccc(c(c1)C(F)(F)F)C1CCCC1 | 25516790 | ||
DB14766 | 1566 | 33 | None | -75 | 8 | Human | 7.6 | pEC50 | = | 7.6 | Functional | Guide to Pharmacology | 457 | 6 | 2 | 2 | 6.9 | OC(=O)C[C@H]1CCc2c1[nH]c1c2cc(cc1)OCc1ccc(c(c1)C(F)(F)F)C1CCCC1 | 25516790 | ||
46872626 | 213 | 18 | None | 72 | 2 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Guide to Pharmacology | 365 | 6 | 1 | 3 | 4.1 | OC(=O)C1CN(C1)Cc1ccc(cc1)OCc1ccc(c(c1)Cl)Cl | 26509640 | ||
46872626 | 213 | 18 | None | 72 | 2 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Guide to Pharmacology | 365 | 6 | 1 | 3 | 4.1 | OC(=O)C1CN(C1)Cc1ccc(cc1)OCc1ccc(c(c1)Cl)Cl | 29688337 | ||
9496 | 213 | 18 | None | 72 | 2 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Guide to Pharmacology | 365 | 6 | 1 | 3 | 4.1 | OC(=O)C1CN(C1)Cc1ccc(cc1)OCc1ccc(c(c1)Cl)Cl | 26509640 | ||
9496 | 213 | 18 | None | 72 | 2 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Guide to Pharmacology | 365 | 6 | 1 | 3 | 4.1 | OC(=O)C1CN(C1)Cc1ccc(cc1)OCc1ccc(c(c1)Cl)Cl | 29688337 | ||
CHEMBL3741589 | 213 | 18 | None | 72 | 2 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Guide to Pharmacology | 365 | 6 | 1 | 3 | 4.1 | OC(=O)C1CN(C1)Cc1ccc(cc1)OCc1ccc(c(c1)Cl)Cl | 26509640 | ||
CHEMBL3741589 | 213 | 18 | None | 72 | 2 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Guide to Pharmacology | 365 | 6 | 1 | 3 | 4.1 | OC(=O)C1CN(C1)Cc1ccc(cc1)OCc1ccc(c(c1)Cl)Cl | 29688337 | ||
52938427 | 2936 | 47 | None | -33 | 5 | Human | 8.0 | pEC50 | = | 8.0 | 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 | 2936 | 47 | None | -33 | 5 | Human | 8.0 | pEC50 | = | 8.0 | 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 | 2936 | 47 | None | -33 | 5 | Human | 8.0 | pEC50 | = | 8.0 | 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 | 2936 | 47 | None | -33 | 5 | Human | 8.0 | pEC50 | = | 8.0 | 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 | 2936 | 47 | None | -33 | 5 | Human | 8.0 | pEC50 | = | 8.0 | Functional | Guide to Pharmacology | 404 | 7 | 2 | 7 | 3.6 | OCCN[C@H]1CCc2c1cccc2c1noc(n1)c1ccc(c(c1)C#N)OC(C)C | 26990079 | ||
44599207 | 3552 | 40 | None | -3 | 5 | Human | 9.0 | pEC50 | = | 9.0 | 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 | 22646698 | ||
44599207 | 3552 | 40 | None | -3 | 5 | Human | 9.0 | pEC50 | = | 9.0 | 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 | 24125884 | ||
44599207 | 3552 | 40 | None | -3 | 5 | Human | 9.0 | pEC50 | = | 9.0 | 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 | 9735753 | ||
5326 | 3552 | 40 | None | -3 | 5 | Human | 9.0 | pEC50 | = | 9.0 | 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 | 22646698 | ||
5326 | 3552 | 40 | None | -3 | 5 | Human | 9.0 | pEC50 | = | 9.0 | 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 | 24125884 | ||
5326 | 3552 | 40 | None | -3 | 5 | Human | 9.0 | pEC50 | = | 9.0 | 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 | 9735753 | ||
9289 | 3552 | 40 | None | -3 | 5 | Human | 9.0 | pEC50 | = | 9.0 | 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 | 22646698 | ||
9289 | 3552 | 40 | None | -3 | 5 | Human | 9.0 | pEC50 | = | 9.0 | 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 | 24125884 | ||
9289 | 3552 | 40 | None | -3 | 5 | Human | 9.0 | pEC50 | = | 9.0 | 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 | 9735753 | ||
CHEMBL2336071 | 3552 | 40 | None | -3 | 5 | Human | 9.0 | pEC50 | = | 9.0 | 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 | 22646698 | ||
CHEMBL2336071 | 3552 | 40 | None | -3 | 5 | Human | 9.0 | pEC50 | = | 9.0 | 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 | 24125884 | ||
CHEMBL2336071 | 3552 | 40 | None | -3 | 5 | Human | 9.0 | pEC50 | = | 9.0 | 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 | 9735753 | ||
DB12371 | 3552 | 40 | None | -3 | 5 | Human | 9.0 | pEC50 | = | 9.0 | 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 | 22646698 | ||
DB12371 | 3552 | 40 | None | -3 | 5 | Human | 9.0 | pEC50 | = | 9.0 | 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 | 24125884 | ||
DB12371 | 3552 | 40 | None | -3 | 5 | Human | 9.0 | pEC50 | = | 9.0 | 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 | 9735753 | ||
16755143 | 499 | 0 | None | -1 | 4 | Human | 8.1 | pEC50 | = | 8.1 | 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 | 499 | 0 | None | -1 | 4 | Human | 8.1 | pEC50 | = | 8.1 | 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 | 499 | 0 | None | -1 | 4 | Human | 8.1 | pEC50 | = | 8.1 | 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 | 499 | 0 | None | -1 | 4 | Human | 8.1 | pEC50 | = | 8.1 | 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 | ||
46872626 | 213 | 18 | None | 72 | 2 | Human | 8.4 | pEC50 | = | 8.4 | Functional | Guide to Pharmacology | 365 | 6 | 1 | 3 | 4.1 | OC(=O)C1CN(C1)Cc1ccc(cc1)OCc1ccc(c(c1)Cl)Cl | 26509640 | ||
9496 | 213 | 18 | None | 72 | 2 | Human | 8.4 | pEC50 | = | 8.4 | Functional | Guide to Pharmacology | 365 | 6 | 1 | 3 | 4.1 | OC(=O)C1CN(C1)Cc1ccc(cc1)OCc1ccc(c(c1)Cl)Cl | 26509640 | ||
CHEMBL3741589 | 213 | 18 | None | 72 | 2 | Human | 8.4 | pEC50 | = | 8.4 | Functional | Guide to Pharmacology | 365 | 6 | 1 | 3 | 4.1 | OC(=O)C1CN(C1)Cc1ccc(cc1)OCc1ccc(c(c1)Cl)Cl | 26509640 | ||
49848557 | 1080 | 0 | None | -6 | 5 | Human | 7.8 | pEC50 | = | 7.8 | 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 | 1080 | 0 | None | -6 | 5 | Human | 7.8 | pEC50 | = | 7.8 | 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 | 1080 | 0 | None | -6 | 5 | Human | 7.8 | pEC50 | = | 7.8 | 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 | ||
11259583 | 520 | 12 | None | -380 | 6 | Human | 6.5 | pEC50 | = | 6.5 | 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 | 520 | 12 | None | -380 | 6 | Human | 6.5 | pEC50 | = | 6.5 | 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 | 520 | 12 | None | -380 | 6 | Human | 6.5 | pEC50 | = | 6.5 | 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 | ||
11311 | 1847 | 0 | None | -3 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | Guide to Pharmacology | 440 | 8 | 1 | 7 | 5.1 | OC(=O)CCCn1ccc2c1cccc2c1noc(n1)c1cnc(c(c1)Cl)OC(C)C | 27128606 | ||
24988201 | 1847 | 0 | None | -3 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | Guide to Pharmacology | 440 | 8 | 1 | 7 | 5.1 | OC(=O)CCCn1ccc2c1cccc2c1noc(n1)c1cnc(c(c1)Cl)OC(C)C | 27128606 | ||
CHEMBL4297542 | 1847 | 0 | None | -3 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | Guide to Pharmacology | 440 | 8 | 1 | 7 | 5.1 | OC(=O)CCCn1ccc2c1cccc2c1noc(n1)c1cnc(c(c1)Cl)OC(C)C | 27128606 | ||
DB11987 | 1847 | 0 | None | -3 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | Guide to Pharmacology | 440 | 8 | 1 | 7 | 5.1 | OC(=O)CCCn1ccc2c1cccc2c1noc(n1)c1cnc(c(c1)Cl)OC(C)C | 27128606 | ||
52938427 | 2936 | 47 | None | -33 | 5 | Human | 7.3 | pEC50 | = | 7.3 | Functional | Guide to Pharmacology | 404 | 7 | 2 | 7 | 3.6 | OCCN[C@H]1CCc2c1cccc2c1noc(n1)c1ccc(c(c1)C#N)OC(C)C | None | ||
5383 | 2936 | 47 | None | -33 | 5 | Human | 7.3 | pEC50 | = | 7.3 | Functional | Guide to Pharmacology | 404 | 7 | 2 | 7 | 3.6 | OCCN[C@H]1CCc2c1cccc2c1noc(n1)c1ccc(c(c1)C#N)OC(C)C | None | ||
8709 | 2936 | 47 | None | -33 | 5 | Human | 7.3 | pEC50 | = | 7.3 | Functional | Guide to Pharmacology | 404 | 7 | 2 | 7 | 3.6 | OCCN[C@H]1CCc2c1cccc2c1noc(n1)c1ccc(c(c1)C#N)OC(C)C | None | ||
CHEMBL3707247 | 2936 | 47 | None | -33 | 5 | Human | 7.3 | pEC50 | = | 7.3 | Functional | Guide to Pharmacology | 404 | 7 | 2 | 7 | 3.6 | OCCN[C@H]1CCc2c1cccc2c1noc(n1)c1ccc(c(c1)C#N)OC(C)C | None | ||
DB12612 | 2936 | 47 | None | -33 | 5 | Human | 7.3 | pEC50 | = | 7.3 | Functional | Guide to Pharmacology | 404 | 7 | 2 | 7 | 3.6 | OCCN[C@H]1CCc2c1cccc2c1noc(n1)c1ccc(c(c1)C#N)OC(C)C | None | ||
10883396 | 3592 | 39 | None | -12 | 14 | Mouse | 7.9 | pEC50 | = | 7.9 | 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 | 3592 | 39 | None | -12 | 14 | Mouse | 7.9 | pEC50 | = | 7.9 | 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 | 3592 | 39 | None | -12 | 14 | Mouse | 7.9 | pEC50 | = | 7.9 | 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 | 3592 | 39 | None | -12 | 14 | Mouse | 7.9 | pEC50 | = | 7.9 | 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 | 3592 | 39 | None | -12 | 14 | Mouse | 7.9 | pEC50 | = | 7.9 | 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 | 3592 | 39 | None | -12 | 14 | Mouse | 7.9 | pEC50 | = | 7.9 | 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 | 3592 | 39 | None | -12 | 14 | Mouse | 7.9 | pEC50 | = | 7.9 | 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 | 3592 | 39 | None | -12 | 14 | Mouse | 7.9 | pEC50 | = | 7.9 | 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 | 3592 | 39 | None | -2 | 14 | Human | 8.2 | pEC50 | = | 8.2 | 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 | 3592 | 39 | None | -2 | 14 | Human | 8.2 | pEC50 | = | 8.2 | 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 | 3592 | 39 | None | -2 | 14 | Human | 8.2 | pEC50 | = | 8.2 | 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 | 3592 | 39 | None | -2 | 14 | Human | 8.2 | pEC50 | = | 8.2 | 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 | 3592 | 39 | None | -2 | 14 | Human | 8.2 | pEC50 | = | 8.2 | 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 | 3592 | 39 | None | -2 | 14 | Human | 8.2 | pEC50 | = | 8.2 | 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 | 3592 | 39 | None | -2 | 14 | Human | 8.2 | pEC50 | = | 8.2 | 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 | 3592 | 39 | None | -2 | 14 | Human | 8.2 | pEC50 | = | 8.2 | 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 | 3592 | 39 | None | -2 | 14 | Human | 8.2 | pEC50 | = | 8.2 | 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 | 3592 | 39 | None | -2 | 14 | Human | 8.2 | pEC50 | = | 8.2 | 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 | 3592 | 39 | None | -2 | 14 | Human | 8.2 | pEC50 | = | 8.2 | 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 | 3592 | 39 | None | -2 | 14 | Human | 8.2 | pEC50 | = | 8.2 | 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 | 3592 | 39 | None | -2 | 14 | Human | 8.2 | pEC50 | = | 8.2 | 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 | 3592 | 39 | None | -2 | 14 | Human | 8.2 | pEC50 | = | 8.2 | 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 | 3592 | 39 | None | -2 | 14 | Human | 8.2 | pEC50 | = | 8.2 | 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 | 3592 | 39 | None | -2 | 14 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Guide to Pharmacology | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 17114004 | ||
6992 | 3946 | 0 | None | 7 | 2 | Human | 8.6 | pEC50 | = | 8.6 | Functional | Guide to Pharmacology | 369 | 11 | 3 | 3 | 4.3 | CCCCCCCCc1cccc(c1)C1CC(C1)(N)COP(=O)(O)O | 21632869 | ||
73755254 | 3946 | 0 | None | 7 | 2 | Human | 8.6 | pEC50 | = | 8.6 | Functional | Guide to Pharmacology | 369 | 11 | 3 | 3 | 4.3 | CCCCCCCCc1cccc(c1)C1CC(C1)(N)COP(=O)(O)O | 21632869 | ||
10904818 | 300 | 0 | None | -1 | 4 | Human | 8.9 | pEC50 | = | 8.9 | Functional | Guide to Pharmacology | 373 | 13 | 3 | 4 | 3.8 | CCCCCCCOc1ccc(cc1)CC[C@](COP(=O)(O)O)(N)C | 11967257 | ||
10904818 | 300 | 0 | None | -1 | 4 | Human | 8.9 | pEC50 | = | 8.9 | Functional | Guide to Pharmacology | 373 | 13 | 3 | 4 | 3.8 | CCCCCCCOc1ccc(cc1)CC[C@](COP(=O)(O)O)(N)C | 14732717 | ||
2937 | 300 | 0 | None | -1 | 4 | Human | 8.9 | pEC50 | = | 8.9 | Functional | Guide to Pharmacology | 373 | 13 | 3 | 4 | 3.8 | CCCCCCCOc1ccc(cc1)CC[C@](COP(=O)(O)O)(N)C | 11967257 | ||
2937 | 300 | 0 | None | -1 | 4 | Human | 8.9 | pEC50 | = | 8.9 | Functional | Guide to Pharmacology | 373 | 13 | 3 | 4 | 3.8 | CCCCCCCOc1ccc(cc1)CC[C@](COP(=O)(O)O)(N)C | 14732717 | ||
CHEMBL382739 | 300 | 0 | None | -1 | 4 | Human | 8.9 | pEC50 | = | 8.9 | Functional | Guide to Pharmacology | 373 | 13 | 3 | 4 | 3.8 | CCCCCCCOc1ccc(cc1)CC[C@](COP(=O)(O)O)(N)C | 11967257 | ||
CHEMBL382739 | 300 | 0 | None | -1 | 4 | Human | 8.9 | pEC50 | = | 8.9 | Functional | Guide to Pharmacology | 373 | 13 | 3 | 4 | 3.8 | CCCCCCCOc1ccc(cc1)CC[C@](COP(=O)(O)O)(N)C | 14732717 | ||
2924 | 1610 | 37 | None | -4 | 6 | Human | 8.9 | pEC50 | = | 8.9 | Functional | Guide to Pharmacology | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N | 11967257 | ||
2924 | 1610 | 37 | None | -4 | 6 | Human | 8.9 | pEC50 | = | 8.9 | Functional | Guide to Pharmacology | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N | 14747617 | ||
2924 | 1610 | 37 | None | -4 | 6 | Human | 8.9 | pEC50 | = | 8.9 | Functional | Guide to Pharmacology | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N | 17114004 | ||
44398069 | 1610 | 37 | None | -4 | 6 | Human | 8.9 | pEC50 | = | 8.9 | Functional | Guide to Pharmacology | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N | 11967257 | ||
44398069 | 1610 | 37 | None | -4 | 6 | Human | 8.9 | pEC50 | = | 8.9 | Functional | Guide to Pharmacology | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N | 14747617 | ||
44398069 | 1610 | 37 | None | -4 | 6 | Human | 8.9 | pEC50 | = | 8.9 | Functional | Guide to Pharmacology | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N | 17114004 | ||
9908268 | 1610 | 37 | None | -4 | 6 | Human | 8.9 | pEC50 | = | 8.9 | Functional | Guide to Pharmacology | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N | 11967257 | ||
9908268 | 1610 | 37 | None | -4 | 6 | Human | 8.9 | pEC50 | = | 8.9 | Functional | Guide to Pharmacology | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N | 14747617 | ||
9908268 | 1610 | 37 | None | -4 | 6 | Human | 8.9 | pEC50 | = | 8.9 | Functional | Guide to Pharmacology | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N | 17114004 | ||
CHEMBL114606 | 1610 | 37 | None | -4 | 6 | Human | 8.9 | pEC50 | = | 8.9 | Functional | Guide to Pharmacology | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N | 11967257 | ||
CHEMBL114606 | 1610 | 37 | None | -4 | 6 | Human | 8.9 | pEC50 | = | 8.9 | Functional | Guide to Pharmacology | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N | 14747617 | ||
CHEMBL114606 | 1610 | 37 | None | -4 | 6 | Human | 8.9 | pEC50 | = | 8.9 | Functional | Guide to Pharmacology | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N | 17114004 | ||
11259583 | 520 | 12 | None | -354 | 6 | Mouse | 6.5 | pEC50 | None | 6.5 | 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 | 520 | 12 | None | -354 | 6 | Mouse | 6.5 | pEC50 | None | 6.5 | 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 | 520 | 12 | None | -354 | 6 | Mouse | 6.5 | pEC50 | None | 6.5 | 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 | ||
11545181 | 3952 | 4 | None | -1 | 3 | Human | 7.5 | pEC50 | None | 7.5 | Functional | Guide to Pharmacology | 370 | 12 | 4 | 3 | 3.4 | CCCCCCCCc1cccc(c1)NC(=O)[C@@H](CCP(=O)(O)O)N | 17113298 | ||
2930 | 3952 | 4 | None | -1 | 3 | Human | 7.5 | pEC50 | None | 7.5 | Functional | Guide to Pharmacology | 370 | 12 | 4 | 3 | 3.4 | CCCCCCCCc1cccc(c1)NC(=O)[C@@H](CCP(=O)(O)O)N | 17113298 | ||
CHEMBL389033 | 3952 | 4 | None | -1 | 3 | Human | 7.5 | pEC50 | None | 7.5 | Functional | Guide to Pharmacology | 370 | 12 | 4 | 3 | 3.4 | CCCCCCCCc1cccc(c1)NC(=O)[C@@H](CCP(=O)(O)O)N | 17113298 | ||
12573 | 980 | 1 | None | - | 1 | Human | 10.0 | pIC50 | = | 10 | Functional | Guide to Pharmacology | 437 | 5 | 1 | 3 | 6.4 | C(C)(C)(C)[C@@H]1CC[C@H](CC1)OC2=C(C3=CC=CC=C3C(=C2)C)CN4CCC(CC4)C(=O)O | 33738061 | ||
77846592 | 980 | 1 | None | - | 1 | Human | 10.0 | pIC50 | = | 10 | Functional | Guide to Pharmacology | 437 | 5 | 1 | 3 | 6.4 | C(C)(C)(C)[C@@H]1CC[C@H](CC1)OC2=C(C3=CC=CC=C3C(=C2)C)CN4CCC(CC4)C(=O)O | 33738061 | ||
CHEMBL4748198 | 980 | 1 | None | - | 1 | Human | 10.0 | pIC50 | = | 10 | Functional | Guide to Pharmacology | 437 | 5 | 1 | 3 | 6.4 | C(C)(C)(C)[C@@H]1CC[C@H](CC1)OC2=C(C3=CC=CC=C3C(=C2)C)CN4CCC(CC4)C(=O)O | 33738061 | ||
107970 | 1609 | 76 | None | -77 | 4 | Human | 5.7 | pIC50 | = | 5.7 | Functional | Guide to Pharmacology | 307 | 12 | 3 | 3 | 3.2 | CCCCCCCCc1ccc(cc1)CCC(CO)(CO)N | 15615513 | ||
2407 | 1609 | 76 | None | -77 | 4 | Human | 5.7 | pIC50 | = | 5.7 | Functional | Guide to Pharmacology | 307 | 12 | 3 | 3 | 3.2 | CCCCCCCCc1ccc(cc1)CCC(CO)(CO)N | 15615513 | ||
4167 | 1609 | 76 | None | -77 | 4 | Human | 5.7 | pIC50 | = | 5.7 | Functional | Guide to Pharmacology | 307 | 12 | 3 | 3 | 3.2 | CCCCCCCCc1ccc(cc1)CCC(CO)(CO)N | 15615513 | ||
CHEMBL314854 | 1609 | 76 | None | -77 | 4 | Human | 5.7 | pIC50 | = | 5.7 | Functional | Guide to Pharmacology | 307 | 12 | 3 | 3 | 3.2 | CCCCCCCCc1ccc(cc1)CCC(CO)(CO)N | 15615513 | ||
DB08868 | 1609 | 76 | None | -77 | 4 | Human | 5.7 | pIC50 | = | 5.7 | Functional | Guide to Pharmacology | 307 | 12 | 3 | 3 | 3.2 | CCCCCCCCc1ccc(cc1)CCC(CO)(CO)N | 15615513 | ||
2924 | 1610 | 37 | None | -4 | 6 | Human | 9.2 | pIC50 | = | 9.2 | Functional | Guide to Pharmacology | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N | 14747617 | ||
44398069 | 1610 | 37 | None | -4 | 6 | Human | 9.2 | pIC50 | = | 9.2 | Functional | Guide to Pharmacology | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N | 14747617 | ||
9908268 | 1610 | 37 | None | -4 | 6 | Human | 9.2 | pIC50 | = | 9.2 | Functional | Guide to Pharmacology | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N | 14747617 | ||
CHEMBL114606 | 1610 | 37 | None | -4 | 6 | Human | 9.2 | pIC50 | = | 9.2 | Functional | Guide to Pharmacology | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N | 14747617 | ||
10430549 | 1032 | 33 | None | -1 | 4 | Human | 9.0 | pIC50 | None | 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 | 1032 | 33 | None | -1 | 4 | Human | 9.0 | pIC50 | None | 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 | 1032 | 33 | None | -1 | 4 | Human | 9.0 | pIC50 | None | 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 | Receptor | Assay information | Chemical information | ||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Sel. page | Common name |
GPCRdb ID | #Vendors | Reference ligand |
Fold selectivity (Affinity) |
# tested GPCRs (Affinity) |
Species | p-value (-log) |
Type | Activity Relation |
Activity Value |
Assay Type | Assay Description | Source | Mol weight |
Rot Bonds |
H don | H acc | LogP | Smiles | DOI |
10883396 | 3592 | 39 | None | - | 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 | 3592 | 39 | None | - | 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 | 3592 | 39 | None | - | 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 | 3592 | 39 | None | - | 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 | ||
107970 | 1609 | 76 | None | - | 0 | Human | 9.5 | pEC50 | = | 9.5 | Binding | ChEMBL | 307 | 12 | 3 | 3 | 3.2 | CCCCCCCCc1ccc(cc1)CCC(CO)(CO)N | 10.1016/j.bmcl.2013.09.058 | ||
2407 | 1609 | 76 | None | - | 0 | Human | 9.5 | pEC50 | = | 9.5 | Binding | ChEMBL | 307 | 12 | 3 | 3 | 3.2 | CCCCCCCCc1ccc(cc1)CCC(CO)(CO)N | 10.1016/j.bmcl.2013.09.058 | ||
4167 | 1609 | 76 | None | - | 0 | Human | 9.5 | pEC50 | = | 9.5 | Binding | ChEMBL | 307 | 12 | 3 | 3 | 3.2 | CCCCCCCCc1ccc(cc1)CCC(CO)(CO)N | 10.1016/j.bmcl.2013.09.058 | ||
CHEMBL314854 | 1609 | 76 | None | - | 0 | Human | 9.5 | pEC50 | = | 9.5 | Binding | ChEMBL | 307 | 12 | 3 | 3 | 3.2 | CCCCCCCCc1ccc(cc1)CCC(CO)(CO)N | 10.1016/j.bmcl.2013.09.058 | ||
DB08868 | 1609 | 76 | None | - | 0 | Human | 9.5 | pEC50 | = | 9.5 | Binding | ChEMBL | 307 | 12 | 3 | 3 | 3.2 | CCCCCCCCc1ccc(cc1)CCC(CO)(CO)N | 10.1016/j.bmcl.2013.09.058 | ||
49868651 | 170582 | 0 | None | - | 0 | Human | 9.3 | pEC50 | = | 9.3 | Binding | ChEMBL | 542 | 8 | 2 | 8 | 5.3 | O=C(O)C[C@H]1CCCN(C[C@@H](O)c2ccc(-c3noc(-c4onc(-c5ccccc5)c4C(F)(F)F)n3)cc2)C1 | 10.1021/acs.jmedchem.6b00373 | ||
CHEMBL4458575 | 170582 | 0 | None | - | 0 | Human | 9.3 | pEC50 | = | 9.3 | Binding | ChEMBL | 542 | 8 | 2 | 8 | 5.3 | O=C(O)C[C@H]1CCCN(C[C@@H](O)c2ccc(-c3noc(-c4onc(-c5ccccc5)c4C(F)(F)F)n3)cc2)C1 | 10.1021/acs.jmedchem.6b00373 | ||
50925337 | 169884 | 6 | None | - | 0 | Human | 9.0 | pEC50 | = | 9.0 | Binding | ChEMBL | 528 | 7 | 2 | 8 | 4.9 | O=C(O)[C@H]1CCCN(C[C@@H](O)c2ccc(-c3noc(-c4onc(-c5ccccc5)c4C(F)(F)F)n3)cc2)C1 | 10.1021/acs.jmedchem.6b00373 | ||
CHEMBL4448752 | 169884 | 6 | None | - | 0 | Human | 9.0 | pEC50 | = | 9.0 | Binding | ChEMBL | 528 | 7 | 2 | 8 | 4.9 | O=C(O)[C@H]1CCCN(C[C@@H](O)c2ccc(-c3noc(-c4onc(-c5ccccc5)c4C(F)(F)F)n3)cc2)C1 | 10.1021/acs.jmedchem.6b00373 | ||
10883396 | 3592 | 39 | None | - | 4 | Human | 8.8 | pEC50 | = | 8.8 | 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 | 3592 | 39 | None | - | 4 | Human | 8.8 | pEC50 | = | 8.8 | 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 | 3592 | 39 | None | - | 4 | Human | 8.8 | pEC50 | = | 8.8 | 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 | 3592 | 39 | None | - | 4 | Human | 8.8 | pEC50 | = | 8.8 | 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 | ||
134130131 | 141755 | 0 | None | - | 0 | Human | 5.0 | pEC50 | = | 5.0 | Binding | ChEMBL | 339 | 7 | 2 | 3 | 4.8 | Cc1cccc(-c2cccc3cc(CNCCCC(=O)O)sc23)c1 | 10.1016/j.bmcl.2016.11.050 | ||
CHEMBL3885151 | 141755 | 0 | None | - | 0 | Human | 5.0 | pEC50 | = | 5.0 | Binding | ChEMBL | 339 | 7 | 2 | 3 | 4.8 | Cc1cccc(-c2cccc3cc(CNCCCC(=O)O)sc23)c1 | 10.1016/j.bmcl.2016.11.050 | ||
46174905 | 115788 | 0 | None | - | 0 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 457 | 6 | 1 | 3 | 6.9 | O=C(O)CC1CCn2c1cc1cc(OCc3ccc(C4CCCC4)c(C(F)(F)F)c3)ccc12 | 10.1021/ml500422m | ||
CHEMBL3358955 | 115788 | 0 | None | - | 0 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 457 | 6 | 1 | 3 | 6.9 | O=C(O)CC1CCn2c1cc1cc(OCc3ccc(C4CCCC4)c(C(F)(F)F)c3)ccc12 | 10.1021/ml500422m | ||
134129958 | 141748 | 0 | None | - | 0 | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 376 | 6 | 3 | 4 | 4.2 | NC(CNCc1cc2cccc(-c3ccc4ccccc4c3)c2s1)C(=O)O | 10.1016/j.bmcl.2016.11.050 | ||
CHEMBL3885074 | 141748 | 0 | None | - | 0 | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 376 | 6 | 3 | 4 | 4.2 | NC(CNCc1cc2cccc(-c3ccc4ccccc4c3)c2s1)C(=O)O | 10.1016/j.bmcl.2016.11.050 | ||
44342468 | 12012 | 0 | None | - | 0 | Human | 7.0 | pEC50 | = | 7.0 | 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 | 12012 | 0 | None | - | 0 | Human | 7.0 | pEC50 | = | 7.0 | 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 | 12012 | 0 | None | - | 0 | Human | 7.0 | pEC50 | = | 7.0 | 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 | ||
11682677 | 11677 | 0 | None | - | 0 | Human | 7.9 | pEC50 | = | 7.9 | 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 | 11677 | 0 | None | - | 0 | Human | 7.9 | pEC50 | = | 7.9 | 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 | 11677 | 0 | None | - | 0 | Human | 7.9 | pEC50 | = | 7.9 | 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 | ||
44342231 | 11994 | 3 | None | - | 0 | Human | 5.9 | pEC50 | = | 5.9 | 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 | 11994 | 3 | None | - | 0 | Human | 5.9 | pEC50 | = | 5.9 | 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 | 11994 | 3 | None | - | 0 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 408 | 19 | 4 | 4 | 4.0 | CCCCCCCCCCCCCCCCNC(=O)[C@@H](N)COP(=O)(O)O | 10.1016/s0960-894x(03)00812-6 | ||
134131071 | 141589 | 0 | None | - | 0 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 375 | 7 | 2 | 3 | 5.7 | O=C(O)CCCNCc1cc2cc(-c3ccc4ccccc4c3)ccc2s1 | 10.1016/j.bmcl.2016.11.050 | ||
CHEMBL3883377 | 141589 | 0 | None | - | 0 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 375 | 7 | 2 | 3 | 5.7 | O=C(O)CCCNCc1cc2cc(-c3ccc4ccccc4c3)ccc2s1 | 10.1016/j.bmcl.2016.11.050 | ||
134130884 | 141618 | 0 | None | - | 0 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 389 | 8 | 2 | 3 | 6.1 | O=C(O)CCCCNCc1cc2c(-c3ccc4ccccc4c3)cccc2s1 | 10.1016/j.bmcl.2016.11.050 | ||
CHEMBL3883572 | 141618 | 0 | None | - | 0 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 389 | 8 | 2 | 3 | 6.1 | O=C(O)CCCCNCc1cc2c(-c3ccc4ccccc4c3)cccc2s1 | 10.1016/j.bmcl.2016.11.050 | ||
134131188 | 141766 | 0 | None | - | 0 | Human | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 354 | 7 | 3 | 4 | 3.6 | CCc1ccccc1-c1cccc2cc(CNCC(N)C(=O)O)sc12 | 10.1016/j.bmcl.2016.11.050 | ||
CHEMBL3885229 | 141766 | 0 | None | - | 0 | Human | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 354 | 7 | 3 | 4 | 3.6 | CCc1ccccc1-c1cccc2cc(CNCC(N)C(=O)O)sc12 | 10.1016/j.bmcl.2016.11.050 | ||
44398049 | 13067 | 0 | None | - | 0 | Human | 7.8 | pEC50 | = | 7.8 | 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 | 13067 | 0 | None | - | 0 | Human | 7.8 | pEC50 | = | 7.8 | 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 | 13067 | 0 | None | - | 0 | Human | 7.8 | pEC50 | = | 7.8 | 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 | ||
44342331 | 11311 | 0 | None | - | 0 | Human | 6.8 | pEC50 | = | 6.8 | 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 | 11311 | 0 | None | - | 0 | Human | 6.8 | pEC50 | = | 6.8 | 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 | 11311 | 0 | None | - | 0 | Human | 6.8 | pEC50 | = | 6.8 | 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 | ||
44342244 | 64545 | 3 | None | - | 0 | Human | 5.8 | pEC50 | = | 5.8 | 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 | 64545 | 3 | None | - | 0 | Human | 5.8 | pEC50 | = | 5.8 | 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 | 64545 | 3 | None | - | 0 | Human | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 380 | 17 | 4 | 4 | 3.2 | CCCCCCCCCCCCCCNC(=O)[C@@H](N)COP(=O)(O)O | 10.1016/s0960-894x(03)00812-6 | ||
134130571 | 141685 | 0 | None | - | 0 | Human | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 423 | 6 | 2 | 3 | 7.0 | O=C(O)Cc1cccc(NCc2cc3cccc(-c4ccc5ccccc5c4)c3s2)c1 | 10.1016/j.bmcl.2016.11.050 | ||
CHEMBL3884292 | 141685 | 0 | None | - | 0 | Human | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 423 | 6 | 2 | 3 | 7.0 | O=C(O)Cc1cccc(NCc2cc3cccc(-c4ccc5ccccc5c4)c3s2)c1 | 10.1016/j.bmcl.2016.11.050 | ||
44398076 | 12791 | 0 | None | - | 0 | Human | 7.8 | pEC50 | = | 7.8 | 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 | 12791 | 0 | None | - | 0 | Human | 7.8 | pEC50 | = | 7.8 | 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 | 12791 | 0 | None | - | 0 | Human | 7.8 | pEC50 | = | 7.8 | 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 | ||
134131598 | 141738 | 0 | None | - | 0 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 373 | 4 | 1 | 3 | 5.2 | O=C(O)C1CN(Cc2cc3c(-c4ccc5ccccc5c4)cccc3s2)C1 | 10.1016/j.bmcl.2016.11.050 | ||
CHEMBL3884966 | 141738 | 0 | None | - | 0 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 373 | 4 | 1 | 3 | 5.2 | O=C(O)C1CN(Cc2cc3c(-c4ccc5ccccc5c4)cccc3s2)C1 | 10.1016/j.bmcl.2016.11.050 | ||
53362086 | 115855 | 0 | None | - | 0 | Human | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 481 | 7 | 1 | 4 | 6.6 | CC(C)Oc1ccc(COc2ccc3c(c2)c(Cl)c2n3CC[C@@H]2CC(=O)O)cc1C(F)(F)F | 10.1021/ml500422m | ||
CHEMBL3359523 | 115855 | 0 | None | - | 0 | Human | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 481 | 7 | 1 | 4 | 6.6 | CC(C)Oc1ccc(COc2ccc3c(c2)c(Cl)c2n3CC[C@@H]2CC(=O)O)cc1C(F)(F)F | 10.1021/ml500422m | ||
134131470 | 141763 | 0 | None | - | 0 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 401 | 7 | 2 | 3 | 6.4 | CCc1ccccc1-c1cccc2cc(CNc3ccc(CC(=O)O)cc3)sc12 | 10.1016/j.bmcl.2016.11.050 | ||
CHEMBL3885195 | 141763 | 0 | None | - | 0 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 401 | 7 | 2 | 3 | 6.4 | CCc1ccccc1-c1cccc2cc(CNc3ccc(CC(=O)O)cc3)sc12 | 10.1016/j.bmcl.2016.11.050 | ||
134130538 | 141629 | 0 | None | - | 0 | Human | 4.7 | pEC50 | = | 4.7 | Binding | ChEMBL | 351 | 5 | 1 | 3 | 4.6 | CCc1ccccc1-c1cccc2sc(CN3CC(C(=O)O)C3)cc12 | 10.1016/j.bmcl.2016.11.050 | ||
CHEMBL3883646 | 141629 | 0 | None | - | 0 | Human | 4.7 | pEC50 | = | 4.7 | Binding | ChEMBL | 351 | 5 | 1 | 3 | 4.6 | CCc1ccccc1-c1cccc2sc(CN3CC(C(=O)O)C3)cc12 | 10.1016/j.bmcl.2016.11.050 | ||
134131301 | 141630 | 0 | None | - | 0 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 423 | 6 | 2 | 3 | 7.0 | O=C(O)Cc1cccc(NCc2cc3c(-c4ccc5ccccc5c4)cccc3s2)c1 | 10.1016/j.bmcl.2016.11.050 | ||
CHEMBL3883658 | 141630 | 0 | None | - | 0 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 423 | 6 | 2 | 3 | 7.0 | O=C(O)Cc1cccc(NCc2cc3c(-c4ccc5ccccc5c4)cccc3s2)c1 | 10.1016/j.bmcl.2016.11.050 | ||
124171453 | 136802 | 0 | None | - | 0 | Human | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 473 | 6 | 0 | 7 | 4.5 | Cc1nc(CC(C)C)cc(-c2nc(-c3cc(F)c(O[C@@H]4CCC(=O)N(C)C4)cc3Cl)no2)n1 | 10.1016/j.bmcl.2015.11.090 | ||
CHEMBL3752660 | 136802 | 0 | None | - | 0 | Human | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 473 | 6 | 0 | 7 | 4.5 | Cc1nc(CC(C)C)cc(-c2nc(-c3cc(F)c(O[C@@H]4CCC(=O)N(C)C4)cc3Cl)no2)n1 | 10.1016/j.bmcl.2015.11.090 | ||
134130169 | 141621 | 0 | None | - | 0 | Human | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 373 | 4 | 1 | 3 | 5.2 | O=C(O)C1CN(Cc2cc3cc(-c4ccc5ccccc5c4)ccc3s2)C1 | 10.1016/j.bmcl.2016.11.050 | ||
CHEMBL3883597 | 141621 | 0 | None | - | 0 | Human | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 373 | 4 | 1 | 3 | 5.2 | O=C(O)C1CN(Cc2cc3cc(-c4ccc5ccccc5c4)ccc3s2)C1 | 10.1016/j.bmcl.2016.11.050 | ||
134130662 | 141742 | 0 | None | - | 0 | Human | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 375 | 6 | 2 | 3 | 5.5 | CC(CNCc1cc2cc(-c3ccc4ccccc4c3)ccc2s1)C(=O)O | 10.1016/j.bmcl.2016.11.050 | ||
CHEMBL3884995 | 141742 | 0 | None | - | 0 | Human | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 375 | 6 | 2 | 3 | 5.5 | CC(CNCc1cc2cc(-c3ccc4ccccc4c3)ccc2s1)C(=O)O | 10.1016/j.bmcl.2016.11.050 | ||
134130114 | 141739 | 0 | None | - | 0 | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 375 | 7 | 2 | 3 | 5.7 | O=C(O)CCCNCc1cc2cccc(-c3cccc4ccccc34)c2s1 | 10.1016/j.bmcl.2016.11.050 | ||
CHEMBL3884986 | 141739 | 0 | None | - | 0 | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 375 | 7 | 2 | 3 | 5.7 | O=C(O)CCCNCc1cc2cccc(-c3cccc4ccccc34)c2s1 | 10.1016/j.bmcl.2016.11.050 | ||
44623998 | 1566 | 33 | None | - | 0 | Human | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 457 | 6 | 2 | 2 | 6.9 | OC(=O)C[C@H]1CCc2c1[nH]c1c2cc(cc1)OCc1ccc(c(c1)C(F)(F)F)C1CCCC1 | 10.1021/ml500389m | ||
9331 | 1566 | 33 | None | - | 0 | Human | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 457 | 6 | 2 | 2 | 6.9 | OC(=O)C[C@H]1CCc2c1[nH]c1c2cc(cc1)OCc1ccc(c(c1)C(F)(F)F)C1CCCC1 | 10.1021/ml500389m | ||
CHEMBL3358920 | 1566 | 33 | None | - | 0 | Human | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 457 | 6 | 2 | 2 | 6.9 | OC(=O)C[C@H]1CCc2c1[nH]c1c2cc(cc1)OCc1ccc(c(c1)C(F)(F)F)C1CCCC1 | 10.1021/ml500389m | ||
DB14766 | 1566 | 33 | None | - | 0 | Human | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 457 | 6 | 2 | 2 | 6.9 | OC(=O)C[C@H]1CCc2c1[nH]c1c2cc(cc1)OCc1ccc(c(c1)C(F)(F)F)C1CCCC1 | 10.1021/ml500389m | ||
44394564 | 12152 | 0 | None | - | 0 | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 289 | 9 | 3 | 3 | 3.5 | CCCCCCCCc1ccc2[nH]c([C@@H](N)CO)nc2c1 | 10.1016/j.bmcl.2004.07.030 | ||
CHEMBL1184660 | 12152 | 0 | None | - | 0 | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 289 | 9 | 3 | 3 | 3.5 | CCCCCCCCc1ccc2[nH]c([C@@H](N)CO)nc2c1 | 10.1016/j.bmcl.2004.07.030 | ||
CHEMBL363076 | 12152 | 0 | None | - | 0 | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 289 | 9 | 3 | 3 | 3.5 | CCCCCCCCc1ccc2[nH]c([C@@H](N)CO)nc2c1 | 10.1016/j.bmcl.2004.07.030 | ||
134130188 | 141660 | 0 | None | - | 0 | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 367 | 9 | 2 | 3 | 5.5 | CCc1ccccc1-c1cccc2cc(CNCCCCC(=O)O)sc12 | 10.1016/j.bmcl.2016.11.050 | ||
CHEMBL3884048 | 141660 | 0 | None | - | 0 | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 367 | 9 | 2 | 3 | 5.5 | CCc1ccccc1-c1cccc2cc(CNCCCCC(=O)O)sc12 | 10.1016/j.bmcl.2016.11.050 | ||
134130519 | 141649 | 0 | None | - | 0 | Human | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 361 | 6 | 2 | 3 | 5.3 | O=C(O)CCNCc1cc2cc(-c3ccc4ccccc4c3)ccc2s1 | 10.1016/j.bmcl.2016.11.050 | ||
CHEMBL3883972 | 141649 | 0 | None | - | 0 | Human | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 361 | 6 | 2 | 3 | 5.3 | O=C(O)CCNCc1cc2cc(-c3ccc4ccccc4c3)ccc2s1 | 10.1016/j.bmcl.2016.11.050 | ||
134130022 | 141678 | 0 | None | - | 0 | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 339 | 7 | 2 | 3 | 4.7 | CCc1ccccc1-c1cccc2cc(CNCCC(=O)O)sc12 | 10.1016/j.bmcl.2016.11.050 | ||
CHEMBL3884172 | 141678 | 0 | None | - | 0 | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 339 | 7 | 2 | 3 | 4.7 | CCc1ccccc1-c1cccc2cc(CNCCC(=O)O)sc12 | 10.1016/j.bmcl.2016.11.050 | ||
11675907 | 11671 | 0 | None | - | 0 | Human | 7.6 | pEC50 | = | 7.6 | 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 | 11671 | 0 | None | - | 0 | Human | 7.6 | pEC50 | = | 7.6 | 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 | 11671 | 0 | None | - | 0 | Human | 7.6 | pEC50 | = | 7.6 | 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 | ||
134130111 | 141771 | 0 | None | - | 0 | Human | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 347 | 5 | 2 | 3 | 4.9 | O=C(O)CNCc1cc2cccc(-c3ccc4ccccc4c3)c2s1 | 10.1016/j.bmcl.2016.11.050 | ||
CHEMBL3885275 | 141771 | 0 | None | - | 0 | Human | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 347 | 5 | 2 | 3 | 4.9 | O=C(O)CNCc1cc2cccc(-c3ccc4ccccc4c3)c2s1 | 10.1016/j.bmcl.2016.11.050 | ||
134131081 | 141606 | 0 | None | - | 0 | Human | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 361 | 6 | 2 | 3 | 5.3 | O=C(O)CCNCc1cc2cccc(-c3ccc4ccccc4c3)c2s1 | 10.1016/j.bmcl.2016.11.050 | ||
CHEMBL3883456 | 141606 | 0 | None | - | 0 | Human | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 361 | 6 | 2 | 3 | 5.3 | O=C(O)CCNCc1cc2cccc(-c3ccc4ccccc4c3)c2s1 | 10.1016/j.bmcl.2016.11.050 | ||
134130375 | 141670 | 0 | None | - | 0 | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 339 | 7 | 2 | 3 | 4.8 | Cc1ccc(-c2cccc3cc(CNCCCC(=O)O)sc23)cc1 | 10.1016/j.bmcl.2016.11.050 | ||
CHEMBL3884099 | 141670 | 0 | None | - | 0 | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 339 | 7 | 2 | 3 | 4.8 | Cc1ccc(-c2cccc3cc(CNCCCC(=O)O)sc23)cc1 | 10.1016/j.bmcl.2016.11.050 | ||
44398170 | 11667 | 0 | None | - | 0 | Human | 7.5 | pEC50 | = | 7.5 | 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 | 11667 | 0 | None | - | 0 | Human | 7.5 | pEC50 | = | 7.5 | 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 | 11667 | 0 | None | - | 0 | Human | 7.5 | pEC50 | = | 7.5 | 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 | ||
134130732 | 141662 | 0 | None | - | 0 | Human | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | 393 | 7 | 2 | 3 | 5.5 | O=C(O)CCCNCc1cc2cccc(-c3cccc(C(F)(F)F)c3)c2s1 | 10.1016/j.bmcl.2016.11.050 | ||
CHEMBL3884056 | 141662 | 0 | None | - | 0 | Human | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | 393 | 7 | 2 | 3 | 5.5 | O=C(O)CCCNCc1cc2cccc(-c3cccc(C(F)(F)F)c3)c2s1 | 10.1016/j.bmcl.2016.11.050 | ||
134130546 | 141637 | 0 | None | - | 0 | Human | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 361 | 6 | 2 | 3 | 5.3 | O=C(O)CCNCc1cc2c(-c3ccc4ccccc4c3)cccc2s1 | 10.1016/j.bmcl.2016.11.050 | ||
CHEMBL3883812 | 141637 | 0 | None | - | 0 | Human | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 361 | 6 | 2 | 3 | 5.3 | O=C(O)CCNCc1cc2c(-c3ccc4ccccc4c3)cccc2s1 | 10.1016/j.bmcl.2016.11.050 | ||
134131256 | 141645 | 0 | None | - | 0 | Human | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | 369 | 7 | 2 | 5 | 4.3 | O=C(O)CCCNCc1cc2cccc(-c3ccc4c(c3)OCO4)c2s1 | 10.1016/j.bmcl.2016.11.050 | ||
CHEMBL3883947 | 141645 | 0 | None | - | 0 | Human | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | 369 | 7 | 2 | 5 | 4.3 | O=C(O)CCCNCc1cc2cccc(-c3ccc4c(c3)OCO4)c2s1 | 10.1016/j.bmcl.2016.11.050 | ||
134130150 | 141607 | 0 | None | - | 0 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 376 | 6 | 3 | 4 | 4.2 | NC(CNCc1cc2c(-c3ccc4ccccc4c3)cccc2s1)C(=O)O | 10.1016/j.bmcl.2016.11.050 | ||
CHEMBL3883471 | 141607 | 0 | None | - | 0 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 376 | 6 | 3 | 4 | 4.2 | NC(CNCc1cc2c(-c3ccc4ccccc4c3)cccc2s1)C(=O)O | 10.1016/j.bmcl.2016.11.050 | ||
124171444 | 136885 | 0 | None | - | 0 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 435 | 7 | 1 | 7 | 4.0 | Cc1cc(-c2nc(-c3cc(C)c(OC[C@@H]4CCC(=O)N4)c(C)n3)no2)cc(CC(C)C)n1 | 10.1016/j.bmcl.2015.11.090 | ||
CHEMBL3753300 | 136885 | 0 | None | - | 0 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 435 | 7 | 1 | 7 | 4.0 | Cc1cc(-c2nc(-c3cc(C)c(OC[C@@H]4CCC(=O)N4)c(C)n3)no2)cc(CC(C)C)n1 | 10.1016/j.bmcl.2015.11.090 | ||
124171442 | 136924 | 0 | None | - | 0 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 422 | 6 | 2 | 8 | 3.3 | Cc1cc(-c2nc(-c3ccc(O[C@H]4CCC(=O)NC4)c(C)n3)no2)cc(NC(C)C)n1 | 10.1016/j.bmcl.2015.11.090 | ||
CHEMBL3753609 | 136924 | 0 | None | - | 0 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 422 | 6 | 2 | 8 | 3.3 | Cc1cc(-c2nc(-c3ccc(O[C@H]4CCC(=O)NC4)c(C)n3)no2)cc(NC(C)C)n1 | 10.1016/j.bmcl.2015.11.090 | ||
134130316 | 141790 | 0 | None | - | 0 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 347 | 5 | 2 | 3 | 4.9 | O=C(O)CNCc1cc2cc(-c3ccc4ccccc4c3)ccc2s1 | 10.1016/j.bmcl.2016.11.050 | ||
CHEMBL3885468 | 141790 | 0 | None | - | 0 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 347 | 5 | 2 | 3 | 4.9 | O=C(O)CNCc1cc2cc(-c3ccc4ccccc4c3)ccc2s1 | 10.1016/j.bmcl.2016.11.050 | ||
134131399 | 141783 | 0 | None | - | 0 | Human | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | 339 | 7 | 2 | 3 | 4.8 | Cc1ccccc1-c1cccc2cc(CNCCCC(=O)O)sc12 | 10.1016/j.bmcl.2016.11.050 | ||
CHEMBL3885401 | 141783 | 0 | None | - | 0 | Human | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | 339 | 7 | 2 | 3 | 4.8 | Cc1ccccc1-c1cccc2cc(CNCCCC(=O)O)sc12 | 10.1016/j.bmcl.2016.11.050 | ||
134130548 | 141657 | 0 | None | - | 0 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 423 | 6 | 2 | 3 | 6.7 | O=C(O)c1ccc(CNCc2cc3c(-c4ccc5ccccc5c4)cccc3s2)cc1 | 10.1016/j.bmcl.2016.11.050 | ||
CHEMBL3884011 | 141657 | 0 | None | - | 0 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 423 | 6 | 2 | 3 | 6.7 | O=C(O)c1ccc(CNCc2cc3c(-c4ccc5ccccc5c4)cccc3s2)cc1 | 10.1016/j.bmcl.2016.11.050 | ||
124171447 | 136906 | 0 | None | - | 0 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 425 | 6 | 1 | 7 | 3.5 | Cc1nc(CC(C)C)cc(-c2nc(-c3ccc(O[C@@H]4CCC(=O)NC4)c(F)c3)no2)n1 | 10.1016/j.bmcl.2015.11.090 | ||
CHEMBL3753479 | 136906 | 0 | None | - | 0 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 425 | 6 | 1 | 7 | 3.5 | Cc1nc(CC(C)C)cc(-c2nc(-c3ccc(O[C@@H]4CCC(=O)NC4)c(F)c3)no2)n1 | 10.1016/j.bmcl.2015.11.090 | ||
44398058 | 11661 | 0 | None | - | 0 | Human | 7.4 | pEC50 | = | 7.4 | 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 | 11661 | 0 | None | - | 0 | Human | 7.4 | pEC50 | = | 7.4 | 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 | 11661 | 0 | None | - | 0 | Human | 7.4 | pEC50 | = | 7.4 | 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 | ||
124221654 | 1103 | 1 | None | - | 0 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 375 | 7 | 2 | 3 | 5.7 | OC(=O)CCCNCc1cc2c(s1)c(ccc2)c1ccc2c(c1)cccc2 | 10.1016/j.bmcl.2016.11.050 | ||
9495 | 1103 | 1 | None | - | 0 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 375 | 7 | 2 | 3 | 5.7 | OC(=O)CCCNCc1cc2c(s1)c(ccc2)c1ccc2c(c1)cccc2 | 10.1016/j.bmcl.2016.11.050 | ||
CHEMBL3884038 | 1103 | 1 | None | - | 0 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 375 | 7 | 2 | 3 | 5.7 | OC(=O)CCCNCc1cc2c(s1)c(ccc2)c1ccc2c(c1)cccc2 | 10.1016/j.bmcl.2016.11.050 | ||
44394289 | 12303 | 0 | None | - | 0 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 383 | 11 | 4 | 4 | 3.7 | CCCCCCCCc1ccc2[nH]c(C(C)(N)COP(=O)(O)O)nc2c1 | 10.1016/j.bmcl.2004.07.030 | ||
CHEMBL1185803 | 12303 | 0 | None | - | 0 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 383 | 11 | 4 | 4 | 3.7 | CCCCCCCCc1ccc2[nH]c(C(C)(N)COP(=O)(O)O)nc2c1 | 10.1016/j.bmcl.2004.07.030 | ||
CHEMBL433593 | 12303 | 0 | None | - | 0 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 383 | 11 | 4 | 4 | 3.7 | CCCCCCCCc1ccc2[nH]c(C(C)(N)COP(=O)(O)O)nc2c1 | 10.1016/j.bmcl.2004.07.030 | ||
44394521 | 11656 | 1 | None | - | 0 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 289 | 9 | 3 | 3 | 3.5 | CCCCCCCCc1ccc2[nH]c([C@H](N)CO)nc2c1 | 10.1016/j.bmcl.2004.07.030 | ||
CHEMBL1181640 | 11656 | 1 | None | - | 0 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 289 | 9 | 3 | 3 | 3.5 | CCCCCCCCc1ccc2[nH]c([C@H](N)CO)nc2c1 | 10.1016/j.bmcl.2004.07.030 | ||
CHEMBL186815 | 11656 | 1 | None | - | 0 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 289 | 9 | 3 | 3 | 3.5 | CCCCCCCCc1ccc2[nH]c([C@H](N)CO)nc2c1 | 10.1016/j.bmcl.2004.07.030 | ||
134131209 | 141786 | 0 | None | - | 0 | Human | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 401 | 7 | 2 | 3 | 6.4 | CCc1ccccc1-c1cccc2cc(CNc3cccc(CC(=O)O)c3)sc12 | 10.1016/j.bmcl.2016.11.050 | ||
CHEMBL3885415 | 141786 | 0 | None | - | 0 | Human | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 401 | 7 | 2 | 3 | 6.4 | CCc1ccccc1-c1cccc2cc(CNc3cccc(CC(=O)O)c3)sc12 | 10.1016/j.bmcl.2016.11.050 | ||
2924 | 1610 | 37 | None | - | 0 | Human | 7.4 | pEC50 | = | 7.4 | 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 | 1610 | 37 | None | - | 0 | Human | 7.4 | pEC50 | = | 7.4 | 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 | 1610 | 37 | None | - | 0 | Human | 7.4 | pEC50 | = | 7.4 | 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 | 1610 | 37 | None | - | 0 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N | 10.1016/j.bmcl.2005.05.097 | ||
134131067 | 141653 | 0 | None | - | 0 | Human | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 423 | 6 | 2 | 3 | 7.0 | O=C(O)Cc1ccc(NCc2cc3cccc(-c4ccc5ccccc5c4)c3s2)cc1 | 10.1016/j.bmcl.2016.11.050 | ||
CHEMBL3883991 | 141653 | 0 | None | - | 0 | Human | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 423 | 6 | 2 | 3 | 7.0 | O=C(O)Cc1ccc(NCc2cc3cccc(-c4ccc5ccccc5c4)c3s2)cc1 | 10.1016/j.bmcl.2016.11.050 | ||
10023913 | 12027 | 0 | None | - | 0 | Human | 7.4 | pEC50 | = | 7.4 | 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 | 12027 | 0 | None | - | 0 | Human | 7.4 | pEC50 | = | 7.4 | 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 | 12027 | 0 | None | - | 0 | Human | 7.4 | pEC50 | = | 7.4 | 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 | ||
67249162 | 115852 | 0 | None | - | 0 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 404 | 7 | 1 | 5 | 4.8 | CC(C)Oc1ccc(COc2ccc3c(c2)cc2n3CCC2CC(=O)O)cc1C#N | 10.1021/ml500422m | ||
CHEMBL3359520 | 115852 | 0 | None | - | 0 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 404 | 7 | 1 | 5 | 4.8 | CC(C)Oc1ccc(COc2ccc3c(c2)cc2n3CCC2CC(=O)O)cc1C#N | 10.1021/ml500422m | ||
134129983 | 141616 | 0 | None | - | 0 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 389 | 8 | 2 | 3 | 6.1 | O=C(O)CCCCNCc1cc2cccc(-c3ccc4ccccc4c3)c2s1 | 10.1016/j.bmcl.2016.11.050 | ||
CHEMBL3883555 | 141616 | 0 | None | - | 0 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 389 | 8 | 2 | 3 | 6.1 | O=C(O)CCCCNCc1cc2cccc(-c3ccc4ccccc4c3)c2s1 | 10.1016/j.bmcl.2016.11.050 | ||
134130146 | 141593 | 0 | None | - | 0 | Human | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 353 | 7 | 2 | 3 | 4.9 | CCc1ccccc1-c1cccc2cc(CNCC(C)C(=O)O)sc12 | 10.1016/j.bmcl.2016.11.050 | ||
CHEMBL3883401 | 141593 | 0 | None | - | 0 | Human | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 353 | 7 | 2 | 3 | 4.9 | CCc1ccccc1-c1cccc2cc(CNCC(C)C(=O)O)sc12 | 10.1016/j.bmcl.2016.11.050 | ||
44342219 | 11306 | 0 | None | - | 0 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 344 | 10 | 4 | 4 | 2.2 | CCCCCCc1ccc(NC(=O)[C@H](N)COP(=O)(O)O)cc1 | 10.1016/s0960-894x(03)00812-6 | ||
CHEMBL115344 | 11306 | 0 | None | - | 0 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 344 | 10 | 4 | 4 | 2.2 | CCCCCCc1ccc(NC(=O)[C@H](N)COP(=O)(O)O)cc1 | 10.1016/s0960-894x(03)00812-6 | ||
CHEMBL1180152 | 11306 | 0 | None | - | 0 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 344 | 10 | 4 | 4 | 2.2 | CCCCCCc1ccc(NC(=O)[C@H](N)COP(=O)(O)O)cc1 | 10.1016/s0960-894x(03)00812-6 | ||
10883396 | 3592 | 39 | None | - | 4 | Human | 7.4 | pEC50 | = | 7.4 | 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 | 3592 | 39 | None | - | 4 | Human | 7.4 | pEC50 | = | 7.4 | 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 | 3592 | 39 | None | - | 4 | Human | 7.4 | pEC50 | = | 7.4 | 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 | 3592 | 39 | None | - | 4 | Human | 7.4 | pEC50 | = | 7.4 | 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 | ||
134130183 | 141636 | 0 | None | - | 0 | Human | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 423 | 6 | 2 | 3 | 6.7 | O=C(O)c1ccc(CNCc2cc3cccc(-c4ccc5ccccc5c4)c3s2)cc1 | 10.1016/j.bmcl.2016.11.050 | ||
CHEMBL3883805 | 141636 | 0 | None | - | 0 | Human | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 423 | 6 | 2 | 3 | 6.7 | O=C(O)c1ccc(CNCc2cc3cccc(-c4ccc5ccccc5c4)c3s2)cc1 | 10.1016/j.bmcl.2016.11.050 | ||
134131169 | 141731 | 0 | None | - | 0 | Human | 5.3 | pEC50 | = | 5.3 | Binding | ChEMBL | 381 | 7 | 2 | 3 | 5.8 | CC(C)(C)c1ccc(-c2cccc3cc(CNCCCC(=O)O)sc23)cc1 | 10.1016/j.bmcl.2016.11.050 | ||
CHEMBL3884888 | 141731 | 0 | None | - | 0 | Human | 5.3 | pEC50 | = | 5.3 | Binding | ChEMBL | 381 | 7 | 2 | 3 | 5.8 | CC(C)(C)c1ccc(-c2cccc3cc(CNCCCC(=O)O)sc23)cc1 | 10.1016/j.bmcl.2016.11.050 | ||
67250226 | 115854 | 0 | None | - | 0 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 438 | 7 | 1 | 5 | 5.5 | CC(C)Oc1ccc(COc2ccc3c(c2)c(Cl)c2n3CC[C@@H]2CC(=O)O)cc1C#N | 10.1021/ml500422m | ||
CHEMBL3359522 | 115854 | 0 | None | - | 0 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 438 | 7 | 1 | 5 | 5.5 | CC(C)Oc1ccc(COc2ccc3c(c2)c(Cl)c2n3CC[C@@H]2CC(=O)O)cc1C#N | 10.1021/ml500422m | ||
134131475 | 141655 | 0 | None | - | 0 | Human | 5.3 | pEC50 | = | 5.3 | Binding | ChEMBL | 401 | 7 | 2 | 3 | 6.4 | CCc1ccccc1-c1cccc2sc(CNc3ccc(CC(=O)O)cc3)cc12 | 10.1016/j.bmcl.2016.11.050 | ||
CHEMBL3883998 | 141655 | 0 | None | - | 0 | Human | 5.3 | pEC50 | = | 5.3 | Binding | ChEMBL | 401 | 7 | 2 | 3 | 6.4 | CCc1ccccc1-c1cccc2sc(CNc3ccc(CC(=O)O)cc3)cc12 | 10.1016/j.bmcl.2016.11.050 | ||
134130066 | 141721 | 0 | None | - | 0 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 401 | 8 | 2 | 3 | 6.2 | O=C(O)CCCNCc1cc2cccc(-c3cccc(-c4ccccc4)c3)c2s1 | 10.1016/j.bmcl.2016.11.050 | ||
CHEMBL3884809 | 141721 | 0 | None | - | 0 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 401 | 8 | 2 | 3 | 6.2 | O=C(O)CCCNCc1cc2cccc(-c3cccc(-c4ccccc4)c3)c2s1 | 10.1016/j.bmcl.2016.11.050 | ||
49839234 | 117448 | 1 | None | - | 0 | Human | 8.2 | pEC50 | = | 8.2 | 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 | 117448 | 1 | None | - | 0 | Human | 8.2 | pEC50 | = | 8.2 | 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 | ||
134131291 | 141619 | 0 | None | - | 0 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 373 | 4 | 1 | 3 | 5.2 | O=C(O)C1CN(Cc2cc3cccc(-c4ccc5ccccc5c4)c3s2)C1 | 10.1016/j.bmcl.2016.11.050 | ||
CHEMBL3883579 | 141619 | 0 | None | - | 0 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 373 | 4 | 1 | 3 | 5.2 | O=C(O)C1CN(Cc2cc3cccc(-c4ccc5ccccc5c4)c3s2)C1 | 10.1016/j.bmcl.2016.11.050 | ||
134130695 | 141604 | 0 | None | - | 0 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 347 | 5 | 2 | 3 | 4.9 | O=C(O)CNCc1cc2c(-c3ccc4ccccc4c3)cccc2s1 | 10.1016/j.bmcl.2016.11.050 | ||
CHEMBL3883447 | 141604 | 0 | None | - | 0 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 347 | 5 | 2 | 3 | 4.9 | O=C(O)CNCc1cc2c(-c3ccc4ccccc4c3)cccc2s1 | 10.1016/j.bmcl.2016.11.050 | ||
44398012 | 12158 | 0 | None | - | 0 | Human | 7.3 | pEC50 | = | 7.3 | 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 | 12158 | 0 | None | - | 0 | Human | 7.3 | pEC50 | = | 7.3 | 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 | 12158 | 0 | None | - | 0 | Human | 7.3 | pEC50 | = | 7.3 | 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 | ||
44342175 | 85095 | 0 | None | - | 2 | Human | 7.3 | pEC50 | = | 7.3 | 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 | 85095 | 0 | None | - | 2 | Human | 7.3 | pEC50 | = | 7.3 | 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 | 85095 | 0 | None | - | 2 | Human | 7.3 | pEC50 | = | 7.3 | 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 | ||
44342339 | 11301 | 0 | None | - | 0 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 344 | 10 | 4 | 4 | 2.2 | CCCCCCc1ccc(NC(=O)[C@@H](N)COP(=O)(O)O)cc1 | 10.1016/s0960-894x(03)00812-6 | ||
CHEMBL114031 | 11301 | 0 | None | - | 0 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 344 | 10 | 4 | 4 | 2.2 | CCCCCCc1ccc(NC(=O)[C@@H](N)COP(=O)(O)O)cc1 | 10.1016/s0960-894x(03)00812-6 | ||
CHEMBL1180115 | 11301 | 0 | None | - | 0 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 344 | 10 | 4 | 4 | 2.2 | CCCCCCc1ccc(NC(=O)[C@@H](N)COP(=O)(O)O)cc1 | 10.1016/s0960-894x(03)00812-6 | ||
134131363 | 141718 | 0 | None | - | 0 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 393 | 7 | 2 | 3 | 5.5 | O=C(O)CCCNCc1cc2cccc(-c3ccc(C(F)(F)F)cc3)c2s1 | 10.1016/j.bmcl.2016.11.050 | ||
CHEMBL3884795 | 141718 | 0 | None | - | 0 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 393 | 7 | 2 | 3 | 5.5 | O=C(O)CCCNCc1cc2cccc(-c3ccc(C(F)(F)F)cc3)c2s1 | 10.1016/j.bmcl.2016.11.050 | ||
44394497 | 66361 | 0 | None | - | 0 | Human | 8.2 | pEC50 | = | 8.2 | Binding | ChEMBL | 497 | 11 | 4 | 6 | 4.3 | CCCCCCCCc1ccc2[nH]c([C@@H](N)COP(=O)(O)O)nc2c1.COC(=O)C(F)(F)F | 10.1016/j.bmcl.2004.07.030 | ||
CHEMBL185491 | 66361 | 0 | None | - | 0 | Human | 8.2 | pEC50 | = | 8.2 | Binding | ChEMBL | 497 | 11 | 4 | 6 | 4.3 | CCCCCCCCc1ccc2[nH]c([C@@H](N)COP(=O)(O)O)nc2c1.COC(=O)C(F)(F)F | 10.1016/j.bmcl.2004.07.030 | ||
134131381 | 141777 | 0 | None | - | 0 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 375 | 7 | 2 | 3 | 5.7 | O=C(O)CCCNCc1cc2c(-c3ccc4ccccc4c3)cccc2s1 | 10.1016/j.bmcl.2016.11.050 | ||
CHEMBL3885331 | 141777 | 0 | None | - | 0 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 375 | 7 | 2 | 3 | 5.7 | O=C(O)CCCNCc1cc2c(-c3ccc4ccccc4c3)cccc2s1 | 10.1016/j.bmcl.2016.11.050 | ||
44342221 | 11987 | 0 | None | - | 0 | Human | 6.2 | pEC50 | = | 6.2 | 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 | 11987 | 0 | None | - | 0 | Human | 6.2 | pEC50 | = | 6.2 | 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 | 11987 | 0 | None | - | 0 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 352 | 15 | 4 | 4 | 2.5 | CCCCCCCCCCCCNC(=O)[C@@H](N)COP(=O)(O)O | 10.1016/s0960-894x(03)00812-6 | ||
134130947 | 141697 | 0 | None | - | 0 | Human | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 401 | 8 | 2 | 3 | 6.2 | O=C(O)CCCNCc1cc2cccc(-c3ccc(-c4ccccc4)cc3)c2s1 | 10.1016/j.bmcl.2016.11.050 | ||
CHEMBL3884580 | 141697 | 0 | None | - | 0 | Human | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 401 | 8 | 2 | 3 | 6.2 | O=C(O)CCCNCc1cc2cccc(-c3ccc(-c4ccccc4)cc3)c2s1 | 10.1016/j.bmcl.2016.11.050 | ||
134131043 | 141746 | 0 | None | - | 0 | Human | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 401 | 7 | 2 | 3 | 6.1 | CCc1ccccc1-c1cccc2sc(CNCc3ccc(C(=O)O)cc3)cc12 | 10.1016/j.bmcl.2016.11.050 | ||
CHEMBL3885068 | 141746 | 0 | None | - | 0 | Human | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 401 | 7 | 2 | 3 | 6.1 | CCc1ccccc1-c1cccc2sc(CNCc3ccc(C(=O)O)cc3)cc12 | 10.1016/j.bmcl.2016.11.050 | ||
44398074 | 12777 | 0 | None | - | 0 | Human | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 345 | 11 | 4 | 4 | 3.1 | CCCCCCCCc1ccc(-c2c[nH]c(C(N)(CO)CO)n2)cc1 | 10.1016/j.bmcl.2005.05.097 | ||
CHEMBL1188885 | 12777 | 0 | None | - | 0 | Human | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 345 | 11 | 4 | 4 | 3.1 | CCCCCCCCc1ccc(-c2c[nH]c(C(N)(CO)CO)n2)cc1 | 10.1016/j.bmcl.2005.05.097 | ||
CHEMBL537632 | 12777 | 0 | None | - | 0 | Human | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 345 | 11 | 4 | 4 | 3.1 | CCCCCCCCc1ccc(-c2c[nH]c(C(N)(CO)CO)n2)cc1 | 10.1016/j.bmcl.2005.05.097 | ||
134131297 | 141625 | 0 | None | - | 0 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 389 | 8 | 2 | 3 | 6.1 | O=C(O)CCCCNCc1cc2cc(-c3ccc4ccccc4c3)ccc2s1 | 10.1016/j.bmcl.2016.11.050 | ||
CHEMBL3883621 | 141625 | 0 | None | - | 0 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 389 | 8 | 2 | 3 | 6.1 | O=C(O)CCCCNCc1cc2cc(-c3ccc4ccccc4c3)ccc2s1 | 10.1016/j.bmcl.2016.11.050 | ||
134130023 | 141679 | 0 | None | - | 0 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 376 | 6 | 3 | 4 | 4.2 | NC(CNCc1cc2cc(-c3ccc4ccccc4c3)ccc2s1)C(=O)O | 10.1016/j.bmcl.2016.11.050 | ||
CHEMBL3884173 | 141679 | 0 | None | - | 0 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 376 | 6 | 3 | 4 | 4.2 | NC(CNCc1cc2cc(-c3ccc4ccccc4c3)ccc2s1)C(=O)O | 10.1016/j.bmcl.2016.11.050 | ||
66829311 | 139279 | 0 | None | - | 0 | Human | 6.1 | pEC50 | = | 6.1 | Binding | 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 | 139279 | 0 | None | - | 0 | Human | 6.1 | pEC50 | = | 6.1 | Binding | 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 | ||
134131316 | 141667 | 0 | None | - | 0 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 423 | 6 | 2 | 3 | 7.0 | O=C(O)Cc1cccc(NCc2cc3cc(-c4ccc5ccccc5c4)ccc3s2)c1 | 10.1016/j.bmcl.2016.11.050 | ||
CHEMBL3884077 | 141667 | 0 | None | - | 0 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 423 | 6 | 2 | 3 | 7.0 | O=C(O)Cc1cccc(NCc2cc3cc(-c4ccc5ccccc5c4)ccc3s2)c1 | 10.1016/j.bmcl.2016.11.050 | ||
44394327 | 11647 | 0 | None | - | 0 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 383 | 11 | 4 | 4 | 4.0 | CCCCCCCCc1ccc2[nH]c([C@@H](N)[C@@H](C)OP(=O)(O)O)nc2c1 | 10.1016/j.bmcl.2004.07.030 | ||
CHEMBL1181601 | 11647 | 0 | None | - | 0 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 383 | 11 | 4 | 4 | 4.0 | CCCCCCCCc1ccc2[nH]c([C@@H](N)[C@@H](C)OP(=O)(O)O)nc2c1 | 10.1016/j.bmcl.2004.07.030 | ||
CHEMBL183894 | 11647 | 0 | None | - | 0 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 383 | 11 | 4 | 4 | 4.0 | CCCCCCCCc1ccc2[nH]c([C@@H](N)[C@@H](C)OP(=O)(O)O)nc2c1 | 10.1016/j.bmcl.2004.07.030 | ||
44394459 | 123120 | 0 | None | - | 0 | Human | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 497 | 11 | 4 | 6 | 4.3 | CCCCCCCCc1ccc2[nH]c([C@H](N)COP(=O)(O)O)nc2c1.COC(=O)C(F)(F)F | 10.1016/j.bmcl.2004.07.030 | ||
CHEMBL361915 | 123120 | 0 | None | - | 0 | Human | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 497 | 11 | 4 | 6 | 4.3 | CCCCCCCCc1ccc2[nH]c([C@H](N)COP(=O)(O)O)nc2c1.COC(=O)C(F)(F)F | 10.1016/j.bmcl.2004.07.030 | ||
46174905 | 115788 | 0 | None | - | 0 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 457 | 6 | 1 | 3 | 6.9 | O=C(O)CC1CCn2c1cc1cc(OCc3ccc(C4CCCC4)c(C(F)(F)F)c3)ccc12 | 10.1021/ml500422m | ||
CHEMBL3358955 | 115788 | 0 | None | - | 0 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 457 | 6 | 1 | 3 | 6.9 | O=C(O)CC1CCn2c1cc1cc(OCc3ccc(C4CCCC4)c(C(F)(F)F)c3)ccc12 | 10.1021/ml500422m | ||
44398172 | 11674 | 0 | None | - | 0 | Human | 6.1 | pEC50 | = | 6.1 | 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 | 11674 | 0 | None | - | 0 | Human | 6.1 | pEC50 | = | 6.1 | 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 | 11674 | 0 | None | - | 0 | Human | 6.1 | pEC50 | = | 6.1 | 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 | ||
134130192 | 141672 | 0 | None | - | 0 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 375 | 6 | 2 | 3 | 5.5 | CC(CNCc1cc2cccc(-c3ccc4ccccc4c3)c2s1)C(=O)O | 10.1016/j.bmcl.2016.11.050 | ||
CHEMBL3884134 | 141672 | 0 | None | - | 0 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 375 | 6 | 2 | 3 | 5.5 | CC(CNCc1cc2cccc(-c3ccc4ccccc4c3)c2s1)C(=O)O | 10.1016/j.bmcl.2016.11.050 | ||
10883396 | 3592 | 39 | None | - | 4 | Human | 8.0 | pEC50 | = | 8.0 | 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.2005.05.097 | ||
5283560 | 3592 | 39 | None | - | 4 | Human | 8.0 | pEC50 | = | 8.0 | 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.2005.05.097 | ||
911 | 3592 | 39 | None | - | 4 | Human | 8.0 | pEC50 | = | 8.0 | 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.2005.05.097 | ||
CHEMBL225155 | 3592 | 39 | None | - | 4 | Human | 8.0 | pEC50 | = | 8.0 | 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.2005.05.097 | ||
10883396 | 3592 | 39 | None | - | 4 | Human | 8.0 | pEC50 | = | 8.0 | 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 | 3592 | 39 | None | - | 4 | Human | 8.0 | pEC50 | = | 8.0 | 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 | 3592 | 39 | None | - | 4 | Human | 8.0 | pEC50 | = | 8.0 | 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 | 3592 | 39 | None | - | 4 | Human | 8.0 | pEC50 | = | 8.0 | 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 | ||
67249162 | 115852 | 0 | None | - | 0 | Human | 5.0 | pEC50 | = | 5.0 | Binding | ChEMBL | 404 | 7 | 1 | 5 | 4.8 | CC(C)Oc1ccc(COc2ccc3c(c2)cc2n3CCC2CC(=O)O)cc1C#N | 10.1021/ml500422m | ||
CHEMBL3359520 | 115852 | 0 | None | - | 0 | Human | 5.0 | pEC50 | = | 5.0 | Binding | ChEMBL | 404 | 7 | 1 | 5 | 4.8 | CC(C)Oc1ccc(COc2ccc3c(c2)cc2n3CCC2CC(=O)O)cc1C#N | 10.1021/ml500422m | ||
11743459 | 140260 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | 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 | 140260 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | 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 | ||
11575787 | 70288 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | 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 | 70288 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | 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 | ||
11604577 | 71981 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | 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 | 71981 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | 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 | ||
10408874 | 72145 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 403 | 6 | 1 | 5 | 4.6 | O=C(O)C1CN(Cc2ccc(-c3noc(-c4ccc(C5CCCC5)cc4)n3)cc2)C1 | 10.1021/jm0503244 | ||
CHEMBL198976 | 72145 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 403 | 6 | 1 | 5 | 4.6 | O=C(O)C1CN(Cc2ccc(-c3noc(-c4ccc(C5CCCC5)cc4)n3)cc2)C1 | 10.1021/jm0503244 | ||
10883396 | 3592 | 39 | None | - | 4 | Human | 9.3 | pIC50 | = | 9.3 | 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 | 3592 | 39 | None | - | 4 | Human | 9.3 | pIC50 | = | 9.3 | 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 | 3592 | 39 | None | - | 4 | Human | 9.3 | pIC50 | = | 9.3 | 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 | 3592 | 39 | None | - | 4 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 10.1021/jm0492507 | ||
44394191 | 65977 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 381 | 12 | 3 | 2 | 5.3 | CCCCCCCCCc1ccc(C2CCC(CCP(=O)(O)O)N2)cc1 | 10.1016/j.bmcl.2004.07.049 | ||
CHEMBL184879 | 65977 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 381 | 12 | 3 | 2 | 5.3 | CCCCCCCCCc1ccc(C2CCC(CCP(=O)(O)O)N2)cc1 | 10.1016/j.bmcl.2004.07.049 | ||
44394191 | 65977 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 381 | 12 | 3 | 2 | 5.3 | CCCCCCCCCc1ccc(C2CCC(CCP(=O)(O)O)N2)cc1 | 10.1016/j.bmcl.2004.07.049 | ||
CHEMBL184879 | 65977 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 381 | 12 | 3 | 2 | 5.3 | CCCCCCCCCc1ccc(C2CCC(CCP(=O)(O)O)N2)cc1 | 10.1016/j.bmcl.2004.07.049 | ||
2924 | 1610 | 37 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N | 10.1021/jm0492507 | ||
44398069 | 1610 | 37 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N | 10.1021/jm0492507 | ||
9908268 | 1610 | 37 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N | 10.1021/jm0492507 | ||
CHEMBL114606 | 1610 | 37 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 387 | 14 | 4 | 4 | 3.3 | CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N | 10.1021/jm0492507 | ||
46905530 | 10195 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | 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 | 10195 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | 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 | ||
9979368 | 71362 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 417 | 6 | 1 | 5 | 5.0 | O=C(O)C1CN(Cc2ccc(-c3noc(-c4ccc(C5CCCCC5)cc4)n3)cc2)C1 | 10.1021/jm0503244 | ||
CHEMBL196534 | 71362 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 417 | 6 | 1 | 5 | 5.0 | O=C(O)C1CN(Cc2ccc(-c3noc(-c4ccc(C5CCCCC5)cc4)n3)cc2)C1 | 10.1021/jm0503244 | ||
10430549 | 1032 | 33 | None | - | 0 | Human | 9.0 | pIC50 | = | 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 | 1032 | 33 | None | - | 0 | Human | 9.0 | pIC50 | = | 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 | 1032 | 33 | None | - | 0 | Human | 9.0 | pIC50 | = | 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 | ||
10045980 | 69497 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 391 | 8 | 1 | 5 | 4.3 | CCCCc1ccc(-c2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3)no2)cc1 | 10.1021/jm0503244 | ||
CHEMBL193789 | 69497 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 391 | 8 | 1 | 5 | 4.3 | CCCCc1ccc(-c2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3)no2)cc1 | 10.1021/jm0503244 | ||
49830722 | 71410 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 379 | 6 | 1 | 3 | 4.1 | Cc1cc(OCc2cccc(C(F)(F)F)c2)ccc1CN1CC(C(=O)O)C1 | 10.1021/acs.jmedchem.5b00928 | ||
CHEMBL1966501 | 71410 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 379 | 6 | 1 | 3 | 4.1 | Cc1cc(OCc2cccc(C(F)(F)F)c2)ccc1CN1CC(C(=O)O)C1 | 10.1021/acs.jmedchem.5b00928 | ||
49830919 | 71647 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 363 | 6 | 1 | 2 | 4.0 | O=C(O)C1CN(Cc2ccc(CCc3cccc(C(F)(F)F)c3)cc2)C1 | 10.1021/acs.jmedchem.5b00928 | ||
CHEMBL1973936 | 71647 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 363 | 6 | 1 | 2 | 4.0 | O=C(O)C1CN(Cc2ccc(CCc3cccc(C(F)(F)F)c3)cc2)C1 | 10.1021/acs.jmedchem.5b00928 | ||
46872619 | 72157 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 379 | 6 | 1 | 3 | 4.4 | Cc1cc(OCc2ccc(Cl)c(Cl)c2)ccc1CN1CC(C(=O)O)C1 | 10.1021/acs.jmedchem.5b00928 | ||
CHEMBL1990223 | 72157 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 379 | 6 | 1 | 3 | 4.4 | Cc1cc(OCc2ccc(Cl)c(Cl)c2)ccc1CN1CC(C(=O)O)C1 | 10.1021/acs.jmedchem.5b00928 | ||
127037695 | 136052 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 333 | 12 | 1 | 3 | 4.3 | CCCCCCCCCOc1ccc(CN2CC(C(=O)O)C2)cc1 | 10.1021/acs.jmedchem.5b00928 | ||
CHEMBL3739440 | 136052 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 333 | 12 | 1 | 3 | 4.3 | CCCCCCCCCOc1ccc(CN2CC(C(=O)O)C2)cc1 | 10.1021/acs.jmedchem.5b00928 | ||
59451793 | 136239 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 399 | 6 | 1 | 3 | 4.5 | O=C(O)C1CN(Cc2ccc(OCc3cccc(C(F)(F)F)c3)c(Cl)c2)C1 | 10.1021/acs.jmedchem.5b00928 | ||
CHEMBL3741092 | 136239 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 399 | 6 | 1 | 3 | 4.5 | O=C(O)C1CN(Cc2ccc(OCc3cccc(C(F)(F)F)c3)c(Cl)c2)C1 | 10.1021/acs.jmedchem.5b00928 | ||
10430549 | 1032 | 33 | None | - | 0 | Human | 9.0 | pIC50 | = | 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 | 1032 | 33 | None | - | 0 | Human | 9.0 | pIC50 | = | 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 | 1032 | 33 | None | - | 0 | Human | 9.0 | pIC50 | = | 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 | ||
10883396 | 3592 | 39 | None | - | 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.2008.11.072 | ||
5283560 | 3592 | 39 | None | - | 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.2008.11.072 | ||
911 | 3592 | 39 | None | - | 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.2008.11.072 | ||
CHEMBL225155 | 3592 | 39 | None | - | 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.2008.11.072 | ||
44591266 | 178720 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | 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 | 178720 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | 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 | ||
44394273 | 64247 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | 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 | 64247 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | 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 | ||
44591265 | 179401 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | 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 | 179401 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | 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 | ||
10317453 | 70075 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 377 | 7 | 1 | 5 | 3.9 | CCCc1ccc(-c2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3)no2)cc1 | 10.1021/jm0503244 | ||
CHEMBL194578 | 70075 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 377 | 7 | 1 | 5 | 3.9 | CCCc1ccc(-c2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3)no2)cc1 | 10.1021/jm0503244 | ||
10363915 | 134670 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | 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 | 134670 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | 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 | ||
59451812 | 136366 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 331 | 6 | 1 | 3 | 3.4 | O=C(O)C1CN(Cc2ccc(OCc3cccc(Cl)c3)cc2)C1 | 10.1021/acs.jmedchem.5b00928 | ||
CHEMBL3742245 | 136366 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 331 | 6 | 1 | 3 | 3.4 | O=C(O)C1CN(Cc2ccc(OCc3cccc(Cl)c3)cc2)C1 | 10.1021/acs.jmedchem.5b00928 | ||
59451770 | 136376 | 1 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 277 | 8 | 1 | 3 | 2.8 | CCCCCOc1ccc(CN2CC(C(=O)O)C2)cc1 | 10.1021/acs.jmedchem.5b00928 | ||
CHEMBL3742304 | 136376 | 1 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 277 | 8 | 1 | 3 | 2.8 | CCCCCOc1ccc(CN2CC(C(=O)O)C2)cc1 | 10.1021/acs.jmedchem.5b00928 | ||
10127776 | 10950 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 465 | 15 | 3 | 4 | 4.9 | CCCCCCCCOc1c(Br)cc(CNCCCP(=O)(O)O)cc1OC | 10.1021/jm0492507 | ||
CHEMBL117723 | 10950 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 465 | 15 | 3 | 4 | 4.9 | CCCCCCCCOc1c(Br)cc(CNCCCP(=O)(O)O)cc1OC | 10.1021/jm0492507 | ||
11271470 | 137059 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | 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 | 137059 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | 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 | ||
44412282 | 77893 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 405 | 7 | 2 | 5 | 4.9 | CC(C)Cc1ccc(-c2nc(-c3ccc([C@@H]4CC[C@@H](CC(=O)O)N4)cc3)no2)cc1 | 10.1016/j.bmcl.2006.03.038 | ||
CHEMBL210785 | 77893 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 405 | 7 | 2 | 5 | 4.9 | CC(C)Cc1ccc(-c2nc(-c3ccc([C@@H]4CC[C@@H](CC(=O)O)N4)cc3)no2)cc1 | 10.1016/j.bmcl.2006.03.038 | ||
11502026 | 71110 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 391 | 5 | 1 | 5 | 4.2 | CC(C)(C)c1ccc(-c2nnc(-c3ccc(CN4CC(C(=O)O)C4)cc3)o2)cc1 | 10.1021/jm0503244 | ||
CHEMBL196149 | 71110 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 391 | 5 | 1 | 5 | 4.2 | CC(C)(C)c1ccc(-c2nnc(-c3ccc(CN4CC(C(=O)O)C4)cc3)o2)cc1 | 10.1021/jm0503244 | ||
11683935 | 178761 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | 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 | 178761 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | 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 | ||
59451878 | 136172 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 311 | 6 | 1 | 3 | 3.3 | C[C@@H](Oc1ccc(CN2CC(C(=O)O)C2)cc1)c1ccccc1 | 10.1021/acs.jmedchem.5b00928 | ||
CHEMBL3740494 | 136172 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 311 | 6 | 1 | 3 | 3.3 | C[C@@H](Oc1ccc(CN2CC(C(=O)O)C2)cc1)c1ccccc1 | 10.1021/acs.jmedchem.5b00928 | ||
10251062 | 70293 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 411 | 6 | 1 | 5 | 4.6 | O=C(O)C1CN(Cc2ccc(-c3noc(-c4ccc(-c5ccccc5)cc4)n3)cc2)C1 | 10.1021/jm0503244 | ||
CHEMBL195025 | 70293 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 411 | 6 | 1 | 5 | 4.6 | O=C(O)C1CN(Cc2ccc(-c3noc(-c4ccc(-c5ccccc5)cc4)n3)cc2)C1 | 10.1021/jm0503244 | ||
44413349 | 77286 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | 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 | 77286 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | 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 | ||
10149721 | 84673 | 4 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 317 | 11 | 1 | 2 | 4.5 | CCCCCCCCCc1ccc(CN2CC(C(=O)O)C2)cc1 | 10.1021/jm0492507 | ||
CHEMBL224623 | 84673 | 4 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 317 | 11 | 1 | 2 | 4.5 | CCCCCCCCCc1ccc(CN2CC(C(=O)O)C2)cc1 | 10.1021/jm0492507 | ||
44394220 | 66668 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 375 | 15 | 3 | 2 | 5.8 | CCCCCCCCCCCCCCNC1CCCC(P(=O)(O)O)C1 | 10.1016/j.bmcl.2004.07.049 | ||
CHEMBL186921 | 66668 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 375 | 15 | 3 | 2 | 5.8 | CCCCCCCCCCCCCCNC1CCCC(P(=O)(O)O)C1 | 10.1016/j.bmcl.2004.07.049 | ||
59451743 | 136254 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 361 | 7 | 1 | 4 | 3.4 | COc1cc(CN2CC(C(=O)O)C2)ccc1OCc1ccccc1Cl | 10.1021/acs.jmedchem.5b00928 | ||
CHEMBL3741222 | 136254 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 361 | 7 | 1 | 4 | 3.4 | COc1cc(CN2CC(C(=O)O)C2)ccc1OCc1ccccc1Cl | 10.1021/acs.jmedchem.5b00928 | ||
10249979 | 71302 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 393 | 7 | 1 | 6 | 3.7 | CC(C)Oc1ccc(-c2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3)no2)cc1 | 10.1021/jm0503244 | ||
CHEMBL196357 | 71302 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 393 | 7 | 1 | 6 | 3.7 | CC(C)Oc1ccc(-c2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3)no2)cc1 | 10.1021/jm0503244 | ||
11603220 | 134658 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 375 | 6 | 1 | 5 | 3.8 | O=C(O)C1CN(Cc2ccc(-c3noc(-c4ccc(C5CC5)cc4)n3)cc2)C1 | 10.1021/jm0503244 | ||
CHEMBL371985 | 134658 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 375 | 6 | 1 | 5 | 3.8 | O=C(O)C1CN(Cc2ccc(-c3noc(-c4ccc(C5CC5)cc4)n3)cc2)C1 | 10.1021/jm0503244 | ||
11408903 | 84702 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | 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 | 84702 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | 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 | ||
44565738 | 189161 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | 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 | 189161 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | 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 | ||
10195325 | 84696 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | 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 | 84696 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | 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 | ||
46872748 | 136352 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 319 | 9 | 1 | 3 | 3.9 | CCCCCCOc1ccc(CN2CCC[C@H](C(=O)O)C2)cc1 | 10.1021/acs.jmedchem.5b00928 | ||
CHEMBL3742107 | 136352 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 319 | 9 | 1 | 3 | 3.9 | CCCCCCOc1ccc(CN2CCC[C@H](C(=O)O)C2)cc1 | 10.1021/acs.jmedchem.5b00928 | ||
11540052 | 179985 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | 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 | 179985 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | 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 | ||
59451751 | 136198 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 319 | 9 | 1 | 3 | 3.9 | CCCCCCOc1ccc(CN2CCC[C@@H](C(=O)O)C2)cc1 | 10.1021/acs.jmedchem.5b00928 | ||
CHEMBL3740739 | 136198 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 319 | 9 | 1 | 3 | 3.9 | CCCCCCOc1ccc(CN2CCC[C@@H](C(=O)O)C2)cc1 | 10.1021/acs.jmedchem.5b00928 | ||
44412221 | 76757 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | 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 | ||
CHEMBL207580 | 76757 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | 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 | ||
44412165 | 77408 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | 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 | 77408 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | 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 | ||
10288527 | 84605 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | 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 | 84605 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | 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 | ||
44344193 | 114414 | 5 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 335 | 17 | 3 | 2 | 4.8 | CCCCCCCCCCCCCCNCCCP(=O)(O)O | 10.1021/jm0492507 | ||
CHEMBL334213 | 114414 | 5 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 335 | 17 | 3 | 2 | 4.8 | CCCCCCCCCCCCCCNCCCP(=O)(O)O | 10.1021/jm0492507 | ||
44344193 | 114414 | 5 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 335 | 17 | 3 | 2 | 4.8 | CCCCCCCCCCCCCCNCCCP(=O)(O)O | 10.1016/j.bmcl.2004.07.049 | ||
CHEMBL334213 | 114414 | 5 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 335 | 17 | 3 | 2 | 4.8 | CCCCCCCCCCCCCCNCCCP(=O)(O)O | 10.1016/j.bmcl.2004.07.049 | ||
44413274 | 138182 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | 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 | 138182 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | 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 | ||
44394220 | 66668 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 375 | 15 | 3 | 2 | 5.8 | CCCCCCCCCCCCCCNC1CCCC(P(=O)(O)O)C1 | 10.1016/j.bmcl.2004.07.049 | ||
CHEMBL186921 | 66668 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 375 | 15 | 3 | 2 | 5.8 | CCCCCCCCCCCCCCNC1CCCC(P(=O)(O)O)C1 | 10.1016/j.bmcl.2004.07.049 | ||
11503967 | 7939 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | 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 | 7939 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | 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 | ||
44413430 | 138240 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | 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 | 138240 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | 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 | ||
4492589 | 30692 | 7 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 359 | 3 | 1 | 2 | 6.1 | Cc1cccc(C)c1NC(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1 | 10.1016/j.bmcl.2011.04.097 | ||
CHEMBL1397874 | 30692 | 7 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 359 | 3 | 1 | 2 | 6.1 | Cc1cccc(C)c1NC(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1 | 10.1016/j.bmcl.2011.04.097 | ||
11224984 | 8629 | 18 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | 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 | 8629 | 18 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | 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 | ||
59451867 | 136266 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 335 | 4 | 1 | 2 | 4.2 | O=C(O)C1CN(Cc2ccc(-c3cc(Cl)cc(Cl)c3)cc2)C1 | 10.1021/acs.jmedchem.5b00928 | ||
CHEMBL3741338 | 136266 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 335 | 4 | 1 | 2 | 4.2 | O=C(O)C1CN(Cc2ccc(-c3cc(Cl)cc(Cl)c3)cc2)C1 | 10.1021/acs.jmedchem.5b00928 | ||
44412165 | 77408 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | 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 | 77408 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | 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 | ||
44394212 | 66834 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 373 | 15 | 2 | 2 | 6.5 | CCCCCCCCCCCCCC1CCCC(CCP(C)(=O)O)N1 | 10.1016/j.bmcl.2004.07.049 | ||
CHEMBL187692 | 66834 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 373 | 15 | 2 | 2 | 6.5 | CCCCCCCCCCCCCC1CCCC(CCP(C)(=O)O)N1 | 10.1016/j.bmcl.2004.07.049 | ||
44412364 | 77749 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | 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 | 77749 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | 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 | ||
46872874 | 136092 | 2 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 319 | 9 | 1 | 3 | 3.9 | CCCCCCOc1ccc(CN2CCC(C(=O)O)CC2)cc1 | 10.1021/acs.jmedchem.5b00928 | ||
CHEMBL3739759 | 136092 | 2 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 319 | 9 | 1 | 3 | 3.9 | CCCCCCOc1ccc(CN2CCC(C(=O)O)CC2)cc1 | 10.1021/acs.jmedchem.5b00928 | ||
59451883 | 136312 | 1 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 295 | 6 | 1 | 2 | 3.0 | O=C(O)C1CN(Cc2ccc(CCc3ccccc3)cc2)C1 | 10.1021/acs.jmedchem.5b00928 | ||
CHEMBL3741743 | 136312 | 1 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 295 | 6 | 1 | 2 | 3.0 | O=C(O)C1CN(Cc2ccc(CCc3ccccc3)cc2)C1 | 10.1021/acs.jmedchem.5b00928 | ||
10174255 | 84793 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | 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 | 84793 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | 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 | ||
44394279 | 66814 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | 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 | 66814 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | 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 | ||
10217498 | 84662 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | 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 | 84662 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | 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 | ||
44412232 | 165767 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | 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 | 165767 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | 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 | ||
46885798 | 7949 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 561 | 10 | 4 | 5 | 5.7 | C[C@](N)(COP(=O)(O)O)c1nc(-c2ccc(OCCc3ccc(-c4ccccc4)cc3)c(C(F)(F)F)c2)c[nH]1 | 10.1016/j.bmcl.2010.02.098 | ||
CHEMBL1090829 | 7949 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 561 | 10 | 4 | 5 | 5.7 | C[C@](N)(COP(=O)(O)O)c1nc(-c2ccc(OCCc3ccc(-c4ccccc4)cc3)c(C(F)(F)F)c2)c[nH]1 | 10.1016/j.bmcl.2010.02.098 | ||
44412165 | 77408 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | 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 | ||
CHEMBL209076 | 77408 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | 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 | ||
49830724 | 72040 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 399 | 6 | 1 | 3 | 4.5 | O=C(O)C1CN(Cc2ccc(OCc3cccc(C(F)(F)F)c3)cc2Cl)C1 | 10.1021/acs.jmedchem.5b00928 | ||
CHEMBL1986265 | 72040 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 399 | 6 | 1 | 3 | 4.5 | O=C(O)C1CN(Cc2ccc(OCc3cccc(C(F)(F)F)c3)cc2Cl)C1 | 10.1021/acs.jmedchem.5b00928 | ||
49830723 | 72387 | 1 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 383 | 6 | 1 | 3 | 3.9 | O=C(O)C1CN(Cc2ccc(OCc3cccc(C(F)(F)F)c3)cc2F)C1 | 10.1021/acs.jmedchem.5b00928 | ||
CHEMBL1998478 | 72387 | 1 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 383 | 6 | 1 | 3 | 3.9 | O=C(O)C1CN(Cc2ccc(OCc3cccc(C(F)(F)F)c3)cc2F)C1 | 10.1021/acs.jmedchem.5b00928 | ||
59451819 | 136293 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 383 | 6 | 1 | 3 | 3.9 | O=C(O)C1CN(Cc2ccc(OCc3cccc(C(F)(F)F)c3)c(F)c2)C1 | 10.1021/acs.jmedchem.5b00928 | ||
CHEMBL3741572 | 136293 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 383 | 6 | 1 | 3 | 3.9 | O=C(O)C1CN(Cc2ccc(OCc3cccc(C(F)(F)F)c3)c(F)c2)C1 | 10.1021/acs.jmedchem.5b00928 | ||
10883396 | 3592 | 39 | None | - | 4 | Human | 8.7 | pIC50 | = | 8.7 | 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 | 3592 | 39 | None | - | 4 | Human | 8.7 | pIC50 | = | 8.7 | 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 | 3592 | 39 | None | - | 4 | Human | 8.7 | pIC50 | = | 8.7 | 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 | 3592 | 39 | None | - | 4 | Human | 8.7 | pIC50 | = | 8.7 | 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 | ||
10287034 | 65852 | 3 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 367 | 11 | 2 | 2 | 4.7 | CCCCCCCCCc1ccc(CN2CCC(P(=O)(O)O)C2)cc1 | 10.1016/j.bmcl.2004.07.049 | ||
CHEMBL184349 | 65852 | 3 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 367 | 11 | 2 | 2 | 4.7 | CCCCCCCCCc1ccc(CN2CCC(P(=O)(O)O)C2)cc1 | 10.1016/j.bmcl.2004.07.049 | ||
44565597 | 178707 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | 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 | 178707 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | 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 | ||
11696807 | 125436 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 391 | 5 | 1 | 5 | 4.2 | CC(C)(C)c1ccc(-c2noc(-c3ccc(CN4CC(C(=O)O)C4)cc3)n2)cc1 | 10.1021/jm0503244 | ||
CHEMBL364899 | 125436 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 391 | 5 | 1 | 5 | 4.2 | CC(C)(C)c1ccc(-c2noc(-c3ccc(CN4CC(C(=O)O)C4)cc3)n2)cc1 | 10.1021/jm0503244 | ||
44412416 | 77827 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | 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 | 77827 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | 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 | ||
44412233 | 77783 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 405 | 7 | 2 | 5 | 4.9 | CC(C)Cc1ccc(-c2nc(-c3ccc([C@H]4CC[C@@H](CC(=O)O)N4)cc3)no2)cc1 | 10.1016/j.bmcl.2006.03.038 | ||
CHEMBL210352 | 77783 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 405 | 7 | 2 | 5 | 4.9 | CC(C)Cc1ccc(-c2nc(-c3ccc([C@H]4CC[C@@H](CC(=O)O)N4)cc3)no2)cc1 | 10.1016/j.bmcl.2006.03.038 | ||
44565716 | 179163 | 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 | 179163 | 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 | ||
44413365 | 77029 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | 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 | 77029 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | 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 | ||
11168252 | 84660 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 515 | 7 | 1 | 4 | 6.5 | O=C(O)C1CN(Cc2ccc(OCc3cc(-c4ccccc4)c(C(F)(F)F)s3)c(C(F)(F)F)c2)C1 | 10.1021/jm0492507 | ||
CHEMBL224549 | 84660 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 515 | 7 | 1 | 4 | 6.5 | O=C(O)C1CN(Cc2ccc(OCc3cc(-c4ccccc4)c(C(F)(F)F)s3)c(C(F)(F)F)c2)C1 | 10.1021/jm0492507 | ||
107970 | 1609 | 76 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 307 | 12 | 3 | 3 | 3.2 | CCCCCCCCc1ccc(cc1)CCC(CO)(CO)N | 10.1021/jm0492507 | ||
2407 | 1609 | 76 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 307 | 12 | 3 | 3 | 3.2 | CCCCCCCCc1ccc(cc1)CCC(CO)(CO)N | 10.1021/jm0492507 | ||
4167 | 1609 | 76 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 307 | 12 | 3 | 3 | 3.2 | CCCCCCCCc1ccc(cc1)CCC(CO)(CO)N | 10.1021/jm0492507 | ||
CHEMBL314854 | 1609 | 76 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 307 | 12 | 3 | 3 | 3.2 | CCCCCCCCc1ccc(cc1)CCC(CO)(CO)N | 10.1021/jm0492507 | ||
DB08868 | 1609 | 76 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 307 | 12 | 3 | 3 | 3.2 | CCCCCCCCc1ccc(cc1)CCC(CO)(CO)N | 10.1021/jm0492507 | ||
59451797 | 136379 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 335 | 4 | 1 | 2 | 4.2 | O=C(O)C1CN(Cc2ccc(-c3ccc(Cl)c(Cl)c3)cc2)C1 | 10.1021/acs.jmedchem.5b00928 | ||
CHEMBL3742345 | 136379 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 335 | 4 | 1 | 2 | 4.2 | O=C(O)C1CN(Cc2ccc(-c3ccc(Cl)c(Cl)c3)cc2)C1 | 10.1021/acs.jmedchem.5b00928 | ||
10127475 | 165476 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | 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 | 165476 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | 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 | 165476 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | 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 | 165476 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | 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 | ||
44394161 | 66690 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 389 | 16 | 2 | 2 | 6.1 | CCCCCCCCCCCCCC1CCCCN1CCCP(=O)(O)O | 10.1016/j.bmcl.2004.07.049 | ||
CHEMBL187061 | 66690 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 389 | 16 | 2 | 2 | 6.1 | CCCCCCCCCCCCCC1CCCCN1CCCP(=O)(O)O | 10.1016/j.bmcl.2004.07.049 | ||
44394116 | 66018 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 349 | 17 | 2 | 2 | 5.2 | CCCCCCCCCCCCCCN(C)CCCP(=O)(O)O | 10.1016/j.bmcl.2004.07.049 | ||
CHEMBL185100 | 66018 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 349 | 17 | 2 | 2 | 5.2 | CCCCCCCCCCCCCCN(C)CCCP(=O)(O)O | 10.1016/j.bmcl.2004.07.049 | ||
46872507 | 136144 | 1 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 311 | 6 | 1 | 3 | 3.3 | CC(Oc1ccc(CN2CC(C(=O)O)C2)cc1)c1ccccc1 | 10.1021/acs.jmedchem.5b00928 | ||
CHEMBL3740188 | 136144 | 1 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 311 | 6 | 1 | 3 | 3.3 | CC(Oc1ccc(CN2CC(C(=O)O)C2)cc1)c1ccccc1 | 10.1021/acs.jmedchem.5b00928 | ||
59451779 | 136062 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 305 | 9 | 1 | 3 | 3.6 | CCCCCCOc1ccc(CN2CC[C@@H](C(=O)O)C2)cc1 | 10.1021/acs.jmedchem.5b00928 | ||
CHEMBL3739509 | 136062 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 305 | 9 | 1 | 3 | 3.6 | CCCCCCOc1ccc(CN2CC[C@@H](C(=O)O)C2)cc1 | 10.1021/acs.jmedchem.5b00928 | ||
44565622 | 178760 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | 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 | 178760 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | 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 | ||
44394211 | 66827 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 375 | 14 | 2 | 3 | 5.4 | CCCCCCCCCCCCCCN1CCC(O)(P(C)(=O)O)CC1 | 10.1016/j.bmcl.2004.07.049 | ||
CHEMBL187645 | 66827 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 375 | 14 | 2 | 3 | 5.4 | CCCCCCCCCCCCCCN1CCC(O)(P(C)(=O)O)CC1 | 10.1016/j.bmcl.2004.07.049 | ||
46872872 | 136119 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 333 | 9 | 1 | 3 | 4.2 | CCCCCCOc1ccc(CN2CCC(C(=O)O)C(C)C2)cc1 | 10.1021/acs.jmedchem.5b00928 | ||
CHEMBL3739964 | 136119 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 333 | 9 | 1 | 3 | 4.2 | CCCCCCOc1ccc(CN2CCC(C(=O)O)C(C)C2)cc1 | 10.1021/acs.jmedchem.5b00928 | ||
10215259 | 84683 | 5 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 331 | 11 | 1 | 2 | 4.9 | CCCCCCCCCc1ccc(CN2CCC(C(=O)O)C2)cc1 | 10.1021/jm0492507 | ||
CHEMBL224703 | 84683 | 5 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 331 | 11 | 1 | 2 | 4.9 | CCCCCCCCCc1ccc(CN2CCC(C(=O)O)C2)cc1 | 10.1021/jm0492507 | ||
59451870 | 136136 | 2 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 277 | 7 | 1 | 3 | 2.6 | CC(C)CCOc1ccc(CN2CC(C(=O)O)C2)cc1 | 10.1021/acs.jmedchem.5b00928 | ||
CHEMBL3740090 | 136136 | 2 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 277 | 7 | 1 | 3 | 2.6 | CC(C)CCOc1ccc(CN2CC(C(=O)O)C2)cc1 | 10.1021/acs.jmedchem.5b00928 | ||
59451813 | 136164 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 295 | 5 | 1 | 2 | 3.4 | CCc1ccc(-c2ccc(CN3CC(C(=O)O)C3)cc2)cc1 | 10.1021/acs.jmedchem.5b00928 | ||
CHEMBL3740359 | 136164 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 295 | 5 | 1 | 2 | 3.4 | CCc1ccc(-c2ccc(CN3CC(C(=O)O)C3)cc2)cc1 | 10.1021/acs.jmedchem.5b00928 | ||
10883396 | 3592 | 39 | None | - | 4 | Human | 8.5 | pIC50 | = | 8.5 | 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 | 3592 | 39 | None | - | 4 | Human | 8.5 | pIC50 | = | 8.5 | 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 | 3592 | 39 | None | - | 4 | Human | 8.5 | pIC50 | = | 8.5 | 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 | 3592 | 39 | None | - | 4 | Human | 8.5 | pIC50 | = | 8.5 | 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 | 3592 | 39 | None | - | 4 | Human | 8.5 | pIC50 | = | 8.5 | 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 | 3592 | 39 | None | - | 4 | Human | 8.5 | pIC50 | = | 8.5 | 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 | 3592 | 39 | None | - | 4 | Human | 8.5 | pIC50 | = | 8.5 | 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 | 3592 | 39 | None | - | 4 | Human | 8.5 | pIC50 | = | 8.5 | 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 | ||
44591264 | 179399 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | 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 | 179399 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | 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 | ||
44565739 | 178382 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | 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 | 178382 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | 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 | ||
44412294 | 138120 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | 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 | ||
CHEMBL377637 | 138120 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | 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 | ||
44412353 | 165675 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | 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 | 165675 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | 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 | ||
11495139 | 138375 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | 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 | ||
CHEMBL378300 | 138375 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | 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 | ||
54582607 | 62130 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | 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 | 62130 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | 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 | ||
11752659 | 165591 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 515 | 7 | 1 | 4 | 6.8 | O=C(O)C1CN(Cc2cc(Cl)c(OCc3cc(-c4ccccc4)c(C(F)(F)F)s3)c(Cl)c2)C1 | 10.1021/jm0492507 | ||
CHEMBL426191 | 165591 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 515 | 7 | 1 | 4 | 6.8 | O=C(O)C1CN(Cc2cc(Cl)c(OCc3cc(-c4ccccc4)c(C(F)(F)F)s3)c(Cl)c2)C1 | 10.1021/jm0492507 | ||
44394153 | 65825 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 363 | 14 | 3 | 3 | 4.3 | CCCCCCCCCCCCCCN1CCC(O)(P(=O)(O)O)C1 | 10.1016/j.bmcl.2004.07.049 | ||
CHEMBL184237 | 65825 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 363 | 14 | 3 | 3 | 4.3 | CCCCCCCCCCCCCCN1CCC(O)(P(=O)(O)O)C1 | 10.1016/j.bmcl.2004.07.049 | ||
59451739 | 136202 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 311 | 6 | 1 | 3 | 3.1 | Cc1ccccc1COc1ccc(CN2CC(C(=O)O)C2)cc1 | 10.1021/acs.jmedchem.5b00928 | ||
CHEMBL3740768 | 136202 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 311 | 6 | 1 | 3 | 3.1 | Cc1ccccc1COc1ccc(CN2CC(C(=O)O)C2)cc1 | 10.1021/acs.jmedchem.5b00928 | ||
44413415 | 138161 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | 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 | 138161 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | 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 | ||
11653967 | 70230 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 389 | 6 | 1 | 5 | 4.2 | O=C(O)C1CN(Cc2ccc(-c3noc(-c4ccc(C5CCC5)cc4)n3)cc2)C1 | 10.1021/jm0503244 | ||
CHEMBL194898 | 70230 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 389 | 6 | 1 | 5 | 4.2 | O=C(O)C1CN(Cc2ccc(-c3noc(-c4ccc(C5CCC5)cc4)n3)cc2)C1 | 10.1021/jm0503244 | ||
49830828 | 71471 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 365 | 6 | 1 | 3 | 4.1 | O=C(O)C1CN(Cc2ccc(OCc3ccc(Cl)cc3Cl)cc2)C1 | 10.1021/acs.jmedchem.5b00928 | ||
CHEMBL1968499 | 71471 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 365 | 6 | 1 | 3 | 4.1 | O=C(O)C1CN(Cc2ccc(OCc3ccc(Cl)cc3Cl)cc2)C1 | 10.1021/acs.jmedchem.5b00928 | ||
49830725 | 71547 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 365 | 6 | 1 | 3 | 3.8 | O=C(O)C1CN(Cc2ccc(OCc3cccc(C(F)(F)F)c3)cc2)C1 | 10.1021/acs.jmedchem.5b00928 | ||
CHEMBL1971132 | 71547 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 365 | 6 | 1 | 3 | 3.8 | O=C(O)C1CN(Cc2ccc(OCc3cccc(C(F)(F)F)c3)cc2)C1 | 10.1021/acs.jmedchem.5b00928 | ||
44394149 | 123509 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 377 | 15 | 3 | 3 | 4.5 | CCCCCCCCCCCCCCN1CCC(C(O)P(=O)(O)O)C1 | 10.1016/j.bmcl.2004.07.049 | ||
CHEMBL363008 | 123509 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 377 | 15 | 3 | 3 | 4.5 | CCCCCCCCCCCCCCN1CCC(C(O)P(=O)(O)O)C1 | 10.1016/j.bmcl.2004.07.049 | ||
59451824 | 136350 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 335 | 4 | 1 | 2 | 3.9 | O=C(O)C1CN(Cc2ccc(-c3cccc(C(F)(F)F)c3)cc2)C1 | 10.1021/acs.jmedchem.5b00928 | ||
CHEMBL3742100 | 136350 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 335 | 4 | 1 | 2 | 3.9 | O=C(O)C1CN(Cc2ccc(-c3cccc(C(F)(F)F)c3)cc2)C1 | 10.1021/acs.jmedchem.5b00928 | ||
59451859 | 136315 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 315 | 6 | 1 | 3 | 2.9 | O=C(O)C1CN(Cc2ccc(OCc3ccccc3)c(F)c2)C1 | 10.1021/acs.jmedchem.5b00928 | ||
CHEMBL3741775 | 136315 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 315 | 6 | 1 | 3 | 2.9 | O=C(O)C1CN(Cc2ccc(OCc3ccccc3)c(F)c2)C1 | 10.1021/acs.jmedchem.5b00928 | ||
11248292 | 142974 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | 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 | 142974 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | 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 | ||
44565596 | 188955 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | 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 | 188955 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | 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 | ||
11540052 | 179985 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | 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 | 179985 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | 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 | ||
11690779 | 189123 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | 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 | 189123 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | 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 | ||
2926 | 3538 | 72 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 440 | 3 | 0 | 4 | 7.2 | FC(c1sc(cc1c1ccccc1)c1onc(n1)c1cccc(c1)C(F)(F)F)(F)F | 10.1021/jm0492507 | ||
4077460 | 3538 | 72 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 440 | 3 | 0 | 4 | 7.2 | FC(c1sc(cc1c1ccccc1)c1onc(n1)c1cccc(c1)C(F)(F)F)(F)F | 10.1021/jm0492507 | ||
CHEMBL224720 | 3538 | 72 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 440 | 3 | 0 | 4 | 7.2 | FC(c1sc(cc1c1ccccc1)c1onc(n1)c1cccc(c1)C(F)(F)F)(F)F | 10.1021/jm0492507 | ||
11501764 | 133876 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 379 | 7 | 1 | 6 | 3.3 | CCOc1ccc(-c2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3)no2)cc1 | 10.1021/jm0503244 | ||
CHEMBL371743 | 133876 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 379 | 7 | 1 | 6 | 3.3 | CCOc1ccc(-c2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3)no2)cc1 | 10.1021/jm0503244 | ||
127041987 | 136105 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 319 | 11 | 1 | 3 | 3.9 | CCCCCCCCOc1ccc(CN2CC(C(=O)O)C2)cc1 | 10.1021/acs.jmedchem.5b00928 | ||
CHEMBL3739878 | 136105 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 319 | 11 | 1 | 3 | 3.9 | CCCCCCCCOc1ccc(CN2CC(C(=O)O)C2)cc1 | 10.1021/acs.jmedchem.5b00928 | ||
46872620 | 136137 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 383 | 6 | 1 | 3 | 4.2 | O=C(O)C1CN(Cc2ccc(OCc3ccc(Cl)c(Cl)c3)c(F)c2)C1 | 10.1021/acs.jmedchem.5b00928 | ||
CHEMBL3740093 | 136137 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 383 | 6 | 1 | 3 | 4.2 | O=C(O)C1CN(Cc2ccc(OCc3ccc(Cl)c(Cl)c3)c(F)c2)C1 | 10.1021/acs.jmedchem.5b00928 | ||
59451845 | 136232 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 410 | 7 | 1 | 5 | 4.0 | O=C(O)C1CN(Cc2ccc(OCc3ccc(Cl)c(Cl)c3)c([N+](=O)[O-])c2)C1 | 10.1021/acs.jmedchem.5b00928 | ||
CHEMBL3741022 | 136232 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 410 | 7 | 1 | 5 | 4.0 | O=C(O)C1CN(Cc2ccc(OCc3ccc(Cl)c(Cl)c3)c([N+](=O)[O-])c2)C1 | 10.1021/acs.jmedchem.5b00928 | ||
59451849 | 136262 | 1 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 383 | 6 | 1 | 3 | 4.2 | O=C(O)C1CN(Cc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2F)C1 | 10.1021/acs.jmedchem.5b00928 | ||
CHEMBL3741298 | 136262 | 1 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 383 | 6 | 1 | 3 | 4.2 | O=C(O)C1CN(Cc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2F)C1 | 10.1021/acs.jmedchem.5b00928 | ||
44413349 | 77286 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | 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 | 77286 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | 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 | ||
10249887 | 70584 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | 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 | 70584 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | 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 | ||
44413482 | 165485 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 445 | 7 | 2 | 5 | 5.0 | O=C(O)C[C@@H]1CN[C@@H](c2ccc(-c3noc(-c4ccc(CCC(F)(F)F)cc4)n3)cc2)C1 | 10.1016/j.bmcl.2006.03.090 | ||
CHEMBL425602 | 165485 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 445 | 7 | 2 | 5 | 5.0 | O=C(O)C[C@@H]1CN[C@@H](c2ccc(-c3noc(-c4ccc(CCC(F)(F)F)cc4)n3)cc2)C1 | 10.1016/j.bmcl.2006.03.090 | ||
11466640 | 84666 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 525 | 7 | 1 | 4 | 6.3 | O=C(O)C1CN(Cc2ccc(OCc3cc(-c4ccccc4)c(C(F)(F)F)s3)c(Br)c2)C1 | 10.1021/jm0492507 | ||
CHEMBL224599 | 84666 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 525 | 7 | 1 | 4 | 6.3 | O=C(O)C1CN(Cc2ccc(OCc3cc(-c4ccccc4)c(C(F)(F)F)s3)c(Br)c2)C1 | 10.1021/jm0492507 | ||
10312 | 1268 | 16 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 388 | 4 | 2 | 3 | 5.6 | NCc1cc(C)c(c(c1)C)NC(=O)c1ccc(o1)c1cc(Cl)ccc1Cl | 10.1016/j.bmcl.2011.04.097 | ||
53358422 | 1268 | 16 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 388 | 4 | 2 | 3 | 5.6 | NCc1cc(C)c(c(c1)C)NC(=O)c1ccc(o1)c1cc(Cl)ccc1Cl | 10.1016/j.bmcl.2011.04.097 | ||
CHEMBL1779732 | 1268 | 16 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 388 | 4 | 2 | 3 | 5.6 | NCc1cc(C)c(c(c1)C)NC(=O)c1ccc(o1)c1cc(Cl)ccc1Cl | 10.1016/j.bmcl.2011.04.097 | ||
44413447 | 138154 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | 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 | 138154 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | 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 | ||
46872626 | 213 | 18 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 365 | 6 | 1 | 3 | 4.1 | OC(=O)C1CN(C1)Cc1ccc(cc1)OCc1ccc(c(c1)Cl)Cl | 10.1021/acs.jmedchem.5b00928 | ||
9496 | 213 | 18 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 365 | 6 | 1 | 3 | 4.1 | OC(=O)C1CN(C1)Cc1ccc(cc1)OCc1ccc(c(c1)Cl)Cl | 10.1021/acs.jmedchem.5b00928 | ||
CHEMBL3741589 | 213 | 18 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 365 | 6 | 1 | 3 | 4.1 | OC(=O)C1CN(C1)Cc1ccc(cc1)OCc1ccc(c(c1)Cl)Cl | 10.1021/acs.jmedchem.5b00928 | ||
46872622 | 72092 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 331 | 6 | 1 | 3 | 3.4 | O=C(O)C1CN(Cc2ccc(OCc3ccccc3)cc2Cl)C1 | 10.1021/acs.jmedchem.5b00928 | ||
CHEMBL1987998 | 72092 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 331 | 6 | 1 | 3 | 3.4 | O=C(O)C1CN(Cc2ccc(OCc3ccccc3)cc2Cl)C1 | 10.1021/acs.jmedchem.5b00928 | ||
10287034 | 65852 | 3 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 367 | 11 | 2 | 2 | 4.7 | CCCCCCCCCc1ccc(CN2CCC(P(=O)(O)O)C2)cc1 | 10.1021/jm0492507 | ||
CHEMBL184349 | 65852 | 3 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 367 | 11 | 2 | 2 | 4.7 | CCCCCCCCCc1ccc(CN2CCC(P(=O)(O)O)C2)cc1 | 10.1021/jm0492507 | ||
10409838 | 133661 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 419 | 10 | 1 | 5 | 5.0 | CCCCCCc1ccc(-c2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3)no2)cc1 | 10.1021/jm0503244 | ||
CHEMBL371670 | 133661 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 419 | 10 | 1 | 5 | 5.0 | CCCCCCc1ccc(-c2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3)no2)cc1 | 10.1021/jm0503244 | ||
10476387 | 126993 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 405 | 6 | 1 | 5 | 4.5 | CC(C)(C)Cc1ccc(-c2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3)no2)cc1 | 10.1021/jm0503244 | ||
CHEMBL366181 | 126993 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 405 | 6 | 1 | 5 | 4.5 | CC(C)(C)Cc1ccc(-c2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3)no2)cc1 | 10.1021/jm0503244 | ||
44591250 | 189162 | 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 | 189162 | 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 | ||
44412428 | 77892 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 435 | 6 | 2 | 5 | 5.5 | O=C(O)C[C@@H]1CC[C@H](c2ccc(-c3noc(-c4ccc(C5CCCC5)cc4F)n3)cc2)N1 | 10.1016/j.bmcl.2006.03.038 | ||
CHEMBL210782 | 77892 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 435 | 6 | 2 | 5 | 5.5 | O=C(O)C[C@@H]1CC[C@H](c2ccc(-c3noc(-c4ccc(C5CCCC5)cc4F)n3)cc2)N1 | 10.1016/j.bmcl.2006.03.038 | ||
44394212 | 66834 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 373 | 15 | 2 | 2 | 6.5 | CCCCCCCCCCCCCC1CCCC(CCP(C)(=O)O)N1 | 10.1016/j.bmcl.2004.07.049 | ||
CHEMBL187692 | 66834 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 373 | 15 | 2 | 2 | 6.5 | CCCCCCCCCCCCCC1CCCC(CCP(C)(=O)O)N1 | 10.1016/j.bmcl.2004.07.049 | ||
44394169 | 66350 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 375 | 16 | 2 | 2 | 5.7 | CCCCCCCCCCCCCCN1CCCC1CCP(=O)(O)O | 10.1016/j.bmcl.2004.07.049 | ||
CHEMBL185447 | 66350 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 375 | 16 | 2 | 2 | 5.7 | CCCCCCCCCCCCCCN1CCCC1CCP(=O)(O)O | 10.1016/j.bmcl.2004.07.049 | ||
44413446 | 77947 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 417 | 6 | 2 | 5 | 5.2 | O=C(O)C[C@@H]1CN[C@@H](c2ccc(-c3noc(-c4ccc(C5CCCC5)cc4)n3)cc2)C1 | 10.1016/j.bmcl.2006.03.090 | ||
CHEMBL211006 | 77947 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 417 | 6 | 2 | 5 | 5.2 | O=C(O)C[C@@H]1CN[C@@H](c2ccc(-c3noc(-c4ccc(C5CCCC5)cc4)n3)cc2)C1 | 10.1016/j.bmcl.2006.03.090 | ||
44394117 | 66009 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 389 | 17 | 2 | 2 | 6.1 | CCCCCCCCCCCCCCC1CCCN1CCCP(=O)(O)O | 10.1016/j.bmcl.2004.07.049 | ||
CHEMBL185066 | 66009 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 389 | 17 | 2 | 2 | 6.1 | CCCCCCCCCCCCCCC1CCCN1CCCP(=O)(O)O | 10.1016/j.bmcl.2004.07.049 | ||
59451753 | 136384 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 281 | 4 | 1 | 2 | 3.2 | Cc1ccc(-c2ccc(CN3CC(C(=O)O)C3)cc2)cc1 | 10.1021/acs.jmedchem.5b00928 | ||
CHEMBL3742384 | 136384 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 281 | 4 | 1 | 2 | 3.2 | Cc1ccc(-c2ccc(CN3CC(C(=O)O)C3)cc2)cc1 | 10.1021/acs.jmedchem.5b00928 | ||
44565714 | 178717 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | 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 | 178717 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | 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 | ||
59451780 | 136279 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 305 | 9 | 1 | 3 | 3.6 | CCCCCCOc1ccc(CN2CCC(C(=O)O)C2)cc1 | 10.1021/acs.jmedchem.5b00928 | ||
CHEMBL3741459 | 136279 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 305 | 9 | 1 | 3 | 3.6 | CCCCCCOc1ccc(CN2CCC(C(=O)O)C2)cc1 | 10.1021/acs.jmedchem.5b00928 | ||
59451832 | 136120 | 4 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 297 | 6 | 1 | 3 | 2.8 | O=C(O)C1CN(Cc2ccc(OCc3ccccc3)cc2)C1 | 10.1021/acs.jmedchem.5b00928 | ||
CHEMBL3739977 | 136120 | 4 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 297 | 6 | 1 | 3 | 2.8 | O=C(O)C1CN(Cc2ccc(OCc3ccccc3)cc2)C1 | 10.1021/acs.jmedchem.5b00928 | ||
10310952 | 84697 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 477 | 8 | 1 | 5 | 5.5 | COc1cc(CN2CC(C(=O)O)C2)ccc1OCc1cc(-c2ccccc2)c(C(F)(F)F)s1 | 10.1021/jm0492507 | ||
CHEMBL224800 | 84697 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 477 | 8 | 1 | 5 | 5.5 | COc1cc(CN2CC(C(=O)O)C2)ccc1OCc1cc(-c2ccccc2)c(C(F)(F)F)s1 | 10.1021/jm0492507 | ||
46872625 | 136147 | 1 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 317 | 5 | 1 | 3 | 3.6 | O=C(O)C1CN(Cc2ccc(Oc3ccc(Cl)cc3)cc2)C1 | 10.1021/acs.jmedchem.5b00928 | ||
CHEMBL3740219 | 136147 | 1 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 317 | 5 | 1 | 3 | 3.6 | O=C(O)C1CN(Cc2ccc(Oc3ccc(Cl)cc3)cc2)C1 | 10.1021/acs.jmedchem.5b00928 | ||
59451750 | 136341 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 311 | 6 | 1 | 3 | 3.1 | Cc1cc(OCc2ccccc2)ccc1CN1CC(C(=O)O)C1 | 10.1021/acs.jmedchem.5b00928 | ||
CHEMBL3742033 | 136341 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 311 | 6 | 1 | 3 | 3.1 | Cc1cc(OCc2ccccc2)ccc1CN1CC(C(=O)O)C1 | 10.1021/acs.jmedchem.5b00928 | ||
11725751 | 12738 | 5 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 355 | 14 | 3 | 2 | 4.6 | CCCCCCCCCc1ccc(CNCCCP(=O)(O)O)cc1 | 10.1016/j.bmcl.2004.07.049 | ||
CHEMBL118860 | 12738 | 5 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 355 | 14 | 3 | 2 | 4.6 | CCCCCCCCCc1ccc(CNCCCP(=O)(O)O)cc1 | 10.1016/j.bmcl.2004.07.049 | ||
44591249 | 180054 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | 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 | 180054 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | 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 | ||
44412415 | 77813 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | 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 | 77813 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | 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 | ||
46885796 | 8326 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | 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 | 8326 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | 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 | ||
68489165 | 136086 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 315 | 6 | 1 | 3 | 2.9 | O=C(O)C1CN(Cc2ccc(OCc3ccc(F)cc3)cc2)C1 | 10.1021/acs.jmedchem.5b00928 | ||
CHEMBL3739695 | 136086 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 315 | 6 | 1 | 3 | 2.9 | O=C(O)C1CN(Cc2ccc(OCc3ccc(F)cc3)cc2)C1 | 10.1021/acs.jmedchem.5b00928 | ||
59451764 | 136131 | 1 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 291 | 9 | 1 | 3 | 3.2 | CCCCCCOc1ccc(CN2CC(C(=O)O)C2)cc1 | 10.1021/acs.jmedchem.5b00928 | ||
CHEMBL3740060 | 136131 | 1 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 291 | 9 | 1 | 3 | 3.2 | CCCCCCOc1ccc(CN2CC(C(=O)O)C2)cc1 | 10.1021/acs.jmedchem.5b00928 | ||
46872048 | 136270 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 395 | 7 | 1 | 4 | 4.1 | COc1cc(CN2CC(C(=O)O)C2)ccc1OCc1ccc(Cl)cc1Cl | 10.1021/acs.jmedchem.5b00928 | ||
CHEMBL3741364 | 136270 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 395 | 7 | 1 | 4 | 4.1 | COc1cc(CN2CC(C(=O)O)C2)ccc1OCc1ccc(Cl)cc1Cl | 10.1021/acs.jmedchem.5b00928 | ||
127037696 | 136284 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 305 | 10 | 1 | 3 | 3.6 | CCCCCCCOc1ccc(CN2CC(C(=O)O)C2)cc1 | 10.1021/acs.jmedchem.5b00928 | ||
CHEMBL3741496 | 136284 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 305 | 10 | 1 | 3 | 3.6 | CCCCCCCOc1ccc(CN2CC(C(=O)O)C2)cc1 | 10.1021/acs.jmedchem.5b00928 | ||
44565717 | 188939 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | 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 | 188939 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | 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 | ||
25008420 | 8379 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | 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 | 8379 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | 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 | ||
44565717 | 188939 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | 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 | 188939 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | 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 | ||
44565715 | 179861 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | 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 | 179861 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | 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 | ||
77846754 | 181960 | 0 | None | - | 1 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 435 | 5 | 1 | 3 | 6.3 | Cc1cc(OC2CCC3(CCCC3)CC2)c(CN2CCC(C(=O)O)CC2)c2ccccc12 | 10.1021/acsmedchemlett.0c00631 | ||
CHEMBL4787458 | 181960 | 0 | None | - | 1 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 435 | 5 | 1 | 3 | 6.3 | Cc1cc(OC2CCC3(CCCC3)CC2)c(CN2CCC(C(=O)O)CC2)c2ccccc12 | 10.1021/acsmedchemlett.0c00631 | ||
11502996 | 158181 | 36 | None | 1 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 435 | 9 | 1 | 4 | 5.0 | CCCc1ccc(COc2ccc3c(c2)CCC(CN2CC(C(=O)O)C2)=C3C)c(OC)c1 | 10.1021/acs.jmedchem.7b00785 | ||
CHEMBL4093489 | 158181 | 36 | None | 1 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 435 | 9 | 1 | 4 | 5.0 | CCCc1ccc(COc2ccc3c(c2)CCC(CN2CC(C(=O)O)C2)=C3C)c(OC)c1 | 10.1021/acs.jmedchem.7b00785 | ||
77847762 | 182841 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 397 | 7 | 2 | 3 | 5.7 | Cc1cc(O[C@H]2CC[C@H](C(C)(C)C)CC2)c(CNCCC(=O)O)c2ccccc12 | 10.1021/acsmedchemlett.0c00631 | ||
CHEMBL4798593 | 182841 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 397 | 7 | 2 | 3 | 5.7 | Cc1cc(O[C@H]2CC[C@H](C(C)(C)C)CC2)c(CNCCC(=O)O)c2ccccc12 | 10.1021/acsmedchemlett.0c00631 | ||
12573 | 980 | 1 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 437 | 5 | 1 | 3 | 6.4 | C(C)(C)(C)[C@@H]1CC[C@H](CC1)OC2=C(C3=CC=CC=C3C(=C2)C)CN4CCC(CC4)C(=O)O | 10.1021/acsmedchemlett.0c00631 | ||
77846592 | 980 | 1 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 437 | 5 | 1 | 3 | 6.4 | C(C)(C)(C)[C@@H]1CC[C@H](CC1)OC2=C(C3=CC=CC=C3C(=C2)C)CN4CCC(CC4)C(=O)O | 10.1021/acsmedchemlett.0c00631 | ||
CHEMBL4748198 | 980 | 1 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 437 | 5 | 1 | 3 | 6.4 | C(C)(C)(C)[C@@H]1CC[C@H](CC1)OC2=C(C3=CC=CC=C3C(=C2)C)CN4CCC(CC4)C(=O)O | 10.1021/acsmedchemlett.0c00631 | ||
11363176 | 3100 | 42 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | 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 | 3100 | 42 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | 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 | 3100 | 42 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | 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 | 3100 | 42 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | 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 | ||
6992 | 3946 | 0 | None | 7 | 5 | Human | 8.6 | pKd | = | 8.6 | Binding | Guide to Pharmacology | 369 | 11 | 3 | 3 | 4.3 | CCCCCCCCc1cccc(c1)C1CC(C1)(N)COP(=O)(O)O | 21632869 | ||
73755254 | 3946 | 0 | None | 7 | 5 | Human | 8.6 | pKd | = | 8.6 | Binding | Guide to Pharmacology | 369 | 11 | 3 | 3 | 4.3 | CCCCCCCCc1cccc(c1)C1CC(C1)(N)COP(=O)(O)O | 21632869 | ||
10883396 | 3592 | 39 | None | 1 | 4 | Rat | 8.7 | pKd | None | 8.7 | Binding | Guide to Pharmacology | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 10799507 | ||
5283560 | 3592 | 39 | None | 1 | 4 | Rat | 8.7 | pKd | None | 8.7 | Binding | Guide to Pharmacology | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 10799507 | ||
911 | 3592 | 39 | None | 1 | 4 | Rat | 8.7 | pKd | None | 8.7 | Binding | Guide to Pharmacology | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 10799507 | ||
CHEMBL225155 | 3592 | 39 | None | 1 | 4 | Rat | 8.7 | pKd | None | 8.7 | Binding | Guide to Pharmacology | 379 | 17 | 4 | 4 | 4.0 | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O | 10799507 |