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 |
| 187 | 255 | 39 | None | -1 | 8 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1016/j.bmcl.2012.05.048 | ||
| 294 | 255 | 39 | None | -1 | 8 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1016/j.bmcl.2012.05.048 | ||
| 65 | 255 | 39 | None | -1 | 8 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1016/j.bmcl.2012.05.048 | ||
| 8593 | 255 | 39 | None | -1 | 8 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1016/j.bmcl.2012.05.048 | ||
| CHEMBL667 | 255 | 39 | None | -1 | 8 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1016/j.bmcl.2012.05.048 | ||
| DB03128 | 255 | 39 | None | -1 | 8 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1016/j.bmcl.2012.05.048 | ||
| 187 | 255 | 39 | None | -1 | 8 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/jm100697g | ||
| 294 | 255 | 39 | None | -1 | 8 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/jm100697g | ||
| 65 | 255 | 39 | None | -1 | 8 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/jm100697g | ||
| 8593 | 255 | 39 | None | -1 | 8 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/jm100697g | ||
| CHEMBL667 | 255 | 39 | None | -1 | 8 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/jm100697g | ||
| DB03128 | 255 | 39 | None | -1 | 8 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/jm100697g | ||
| 2551 | 791 | 23 | None | -27 | 13 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0606995 | ||
| 298 | 791 | 23 | None | -27 | 13 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0606995 | ||
| 488 | 791 | 23 | None | -27 | 13 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0606995 | ||
| CHEMBL965 | 791 | 23 | None | -27 | 13 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0606995 | ||
| DB00411 | 791 | 23 | None | -27 | 13 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0606995 | ||
| 334 | 236 | 27 | None | -24 | 4 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 348 | 7 | 0 | 3 | 3.8 | CCCCC1CCN(CC1)CCCN1C(=O)COc2c1ccc(c2)F | 10.1016/j.bmcl.2012.03.088 | ||
| 9928284 | 236 | 27 | None | -24 | 4 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 348 | 7 | 0 | 3 | 3.8 | CCCCC1CCN(CC1)CCCN1C(=O)COc2c1ccc(c2)F | 10.1016/j.bmcl.2012.03.088 | ||
| CHEMBL2022960 | 236 | 27 | None | -24 | 4 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 348 | 7 | 0 | 3 | 3.8 | CCCCC1CCN(CC1)CCCN1C(=O)COc2c1ccc(c2)F | 10.1016/j.bmcl.2012.03.088 | ||
| 25199525 | 16049 | 0 | None | -39 | 3 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 358 | 4 | 0 | 5 | 4.0 | CCO[C@H]1CC[C@](C)(N2CCC(n3c(=O)oc4ccccc43)CC2)CC1 | 10.1016/j.bmcl.2010.07.097 | ||
| CHEMBL1223807 | 16049 | 0 | None | -39 | 3 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 358 | 4 | 0 | 5 | 4.0 | CCO[C@H]1CC[C@](C)(N2CCC(n3c(=O)oc4ccccc43)CC2)CC1 | 10.1016/j.bmcl.2010.07.097 | ||
| 25207745 | 16094 | 0 | None | -100 | 5 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 413 | 6 | 0 | 7 | 3.5 | COCCO[C@H]1CC[C@](C)(N2CCC(n3c(=O)oc4ccc(C#N)cc43)CC2)CC1 | 10.1016/j.bmcl.2010.07.097 | ||
| CHEMBL1223941 | 16094 | 0 | None | -100 | 5 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 413 | 6 | 0 | 7 | 3.5 | COCCO[C@H]1CC[C@](C)(N2CCC(n3c(=O)oc4ccc(C#N)cc43)CC2)CC1 | 10.1016/j.bmcl.2010.07.097 | ||
| 17516658 | 53592 | 5 | None | - | 1 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 444 | 6 | 0 | 5 | 2.9 | CCN(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 | 10.1021/jm500995y | ||
| CHEMBL1602658 | 53592 | 5 | None | - | 1 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 444 | 6 | 0 | 5 | 2.9 | CCN(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 | 10.1021/jm500995y | ||
| 3257 | 3997 | 61 | None | -1047 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 351 | 4 | 0 | 4 | 3.3 | COc1ccc(cc1)CN1c2ccc(cc2C(=O)C1=O)OC(F)(F)F | 10.1016/j.bmcl.2009.11.089 | ||
| 42633508 | 3997 | 61 | None | -1047 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 351 | 4 | 0 | 4 | 3.3 | COc1ccc(cc1)CN1c2ccc(cc2C(=O)C1=O)OC(F)(F)F | 10.1016/j.bmcl.2009.11.089 | ||
| CHEMBL466253 | 3997 | 61 | None | -1047 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 351 | 4 | 0 | 4 | 3.3 | COc1ccc(cc1)CN1c2ccc(cc2C(=O)C1=O)OC(F)(F)F | 10.1016/j.bmcl.2009.11.089 | ||
| 71737628 | 114179 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 442 | 6 | 0 | 4 | 3.6 | CCN(C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)CC1)[C@H](C)c1ccccc1 | 10.1021/jm500995y | ||
| CHEMBL3329738 | 114179 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 442 | 6 | 0 | 4 | 3.6 | CCN(C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)CC1)[C@H](C)c1ccccc1 | 10.1021/jm500995y | ||
| 71737628 | 114179 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 442 | 6 | 0 | 4 | 3.6 | CCN(C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)CC1)[C@H](C)c1ccccc1 | 10.1021/jm500995y | ||
| CHEMBL3329738 | 114179 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 442 | 6 | 0 | 4 | 3.6 | CCN(C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)CC1)[C@H](C)c1ccccc1 | 10.1021/jm500995y | ||
| 3257 | 3997 | 61 | None | -1047 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 351 | 4 | 0 | 4 | 3.3 | COc1ccc(cc1)CN1c2ccc(cc2C(=O)C1=O)OC(F)(F)F | 10.1021/jm900286j | ||
| 42633508 | 3997 | 61 | None | -1047 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 351 | 4 | 0 | 4 | 3.3 | COc1ccc(cc1)CN1c2ccc(cc2C(=O)C1=O)OC(F)(F)F | 10.1021/jm900286j | ||
| CHEMBL466253 | 3997 | 61 | None | -1047 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 351 | 4 | 0 | 4 | 3.3 | COc1ccc(cc1)CN1c2ccc(cc2C(=O)C1=O)OC(F)(F)F | 10.1021/jm900286j | ||
| 24967746 | 16023 | 0 | None | -31 | 5 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 403 | 5 | 1 | 4 | 4.5 | CCCO[C@H]1CC[C@](C)(N2CCC(n3c(=O)[nH]c4cc(F)c(C)cc43)CC2)CC1 | 10.1016/j.bmcl.2010.07.097 | ||
| CHEMBL1223754 | 16023 | 0 | None | -31 | 5 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 403 | 5 | 1 | 4 | 4.5 | CCCO[C@H]1CC[C@](C)(N2CCC(n3c(=O)[nH]c4cc(F)c(C)cc43)CC2)CC1 | 10.1016/j.bmcl.2010.07.097 | ||
| 118712536 | 114199 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 536 | 6 | 1 | 4 | 5.1 | CC(C)(C)CN(Cc1ccccc1C(F)(F)F)C(=O)C1CCN(S(=O)(=O)c2ccc3[nH]ncc3c2)CC1 | 10.1021/jm500995y | ||
| CHEMBL3329764 | 114199 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 536 | 6 | 1 | 4 | 5.1 | CC(C)(C)CN(Cc1ccccc1C(F)(F)F)C(=O)C1CCN(S(=O)(=O)c2ccc3[nH]ncc3c2)CC1 | 10.1021/jm500995y | ||
| 118712537 | 114200 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 520 | 7 | 1 | 4 | 4.4 | O=C(C1CCN(S(=O)(=O)c2ccc3[nH]ncc3c2)CC1)N(Cc1ccccc1C(F)(F)F)CC1CC1 | 10.1021/jm500995y | ||
| CHEMBL3329765 | 114200 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 520 | 7 | 1 | 4 | 4.4 | O=C(C1CCN(S(=O)(=O)c2ccc3[nH]ncc3c2)CC1)N(Cc1ccccc1C(F)(F)F)CC1CC1 | 10.1021/jm500995y | ||
| 118712537 | 114200 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 520 | 7 | 1 | 4 | 4.4 | O=C(C1CCN(S(=O)(=O)c2ccc3[nH]ncc3c2)CC1)N(Cc1ccccc1C(F)(F)F)CC1CC1 | 10.1021/jm500995y | ||
| CHEMBL3329765 | 114200 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 520 | 7 | 1 | 4 | 4.4 | O=C(C1CCN(S(=O)(=O)c2ccc3[nH]ncc3c2)CC1)N(Cc1ccccc1C(F)(F)F)CC1CC1 | 10.1021/jm500995y | ||
| 44208359 | 16673 | 0 | None | -93 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 501 | 9 | 1 | 5 | 3.5 | COc1ccc(CC(=O)NC2CCN(CCCN3C(=O)CCc4cc(F)c(F)cc43)CC2)cc1OC | 10.1021/jm100697g | ||
| CHEMBL1242979 | 16673 | 0 | None | -93 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 501 | 9 | 1 | 5 | 3.5 | COc1ccc(CC(=O)NC2CCN(CCCN3C(=O)CCc4cc(F)c(F)cc43)CC2)cc1OC | 10.1021/jm100697g | ||
| 306 | 3430 | 21 | None | -3 | 5 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 193 | 2 | 0 | 4 | 0.9 | CO/N=C(/[C@H]1CN2CCC1CC2)\C#N | 10.1016/j.bmcl.2015.08.011 | ||
| 3536 | 3430 | 21 | None | -3 | 5 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 193 | 2 | 0 | 4 | 0.9 | CO/N=C(/[C@H]1CN2CCC1CC2)\C#N | 10.1016/j.bmcl.2015.08.011 | ||
| 53930639 | 3430 | 21 | None | -3 | 5 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 193 | 2 | 0 | 4 | 0.9 | CO/N=C(/[C@H]1CN2CCC1CC2)\C#N | 10.1016/j.bmcl.2015.08.011 | ||
| 9577995 | 3430 | 21 | None | -3 | 5 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 193 | 2 | 0 | 4 | 0.9 | CO/N=C(/[C@H]1CN2CCC1CC2)\C#N | 10.1016/j.bmcl.2015.08.011 | ||
| CHEMBL134641 | 3430 | 21 | None | -3 | 5 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 193 | 2 | 0 | 4 | 0.9 | CO/N=C(/[C@H]1CN2CCC1CC2)\C#N | 10.1016/j.bmcl.2015.08.011 | ||
| 118712536 | 114199 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 536 | 6 | 1 | 4 | 5.1 | CC(C)(C)CN(Cc1ccccc1C(F)(F)F)C(=O)C1CCN(S(=O)(=O)c2ccc3[nH]ncc3c2)CC1 | 10.1021/jm500995y | ||
| CHEMBL3329764 | 114199 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 536 | 6 | 1 | 4 | 5.1 | CC(C)(C)CN(Cc1ccccc1C(F)(F)F)C(=O)C1CCN(S(=O)(=O)c2ccc3[nH]ncc3c2)CC1 | 10.1021/jm500995y | ||
| 42599068 | 16047 | 0 | None | -39 | 5 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 356 | 3 | 0 | 3 | 3.7 | CO[C@H]1CC[C@](C)(N2CCC(N3C(=O)Cc4ccc(C)cc43)CC2)CC1 | 10.1016/j.bmcl.2010.07.097 | ||
| CHEMBL1223805 | 16047 | 0 | None | -39 | 5 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 356 | 3 | 0 | 3 | 3.7 | CO[C@H]1CC[C@](C)(N2CCC(N3C(=O)Cc4ccc(C)cc43)CC2)CC1 | 10.1016/j.bmcl.2010.07.097 | ||
| 42598359 | 16074 | 0 | None | -100 | 5 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 436 | 5 | 0 | 7 | 3.4 | CCO[C@H]1CC[C@](C)(N2CCC(n3c(=O)oc4ccc(S(C)(=O)=O)cc43)CC2)CC1 | 10.1016/j.bmcl.2010.07.097 | ||
| CHEMBL1223864 | 16074 | 0 | None | -100 | 5 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 436 | 5 | 0 | 7 | 3.4 | CCO[C@H]1CC[C@](C)(N2CCC(n3c(=O)oc4ccc(S(C)(=O)=O)cc43)CC2)CC1 | 10.1016/j.bmcl.2010.07.097 | ||
| 16123945 | 80430 | 12 | None | -251 | 5 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 315 | 2 | 1 | 4 | 2.5 | Cc1ccc2[nH]c(=O)n(C3CCN(C4CCOCC4)CC3)c2c1 | 10.1021/ml100105x | ||
| CHEMBL2146599 | 80430 | 12 | None | -251 | 5 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 315 | 2 | 1 | 4 | 2.5 | Cc1ccc2[nH]c(=O)n(C3CCN(C4CCOCC4)CC3)c2c1 | 10.1021/ml100105x | ||
| 71771056 | 114197 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 512 | 7 | 1 | 4 | 4.0 | O=C(C1CCN(S(=O)(=O)c2ccc3[nH]ncc3c2)CC1)N(CCF)Cc1ccccc1C(F)(F)F | 10.1021/jm500995y | ||
| CHEMBL3329762 | 114197 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 512 | 7 | 1 | 4 | 4.0 | O=C(C1CCN(S(=O)(=O)c2ccc3[nH]ncc3c2)CC1)N(CCF)Cc1ccccc1C(F)(F)F | 10.1021/jm500995y | ||
| 3652 | 4066 | 79 | None | -263 | 15 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm0606995 | ||
| 57 | 4066 | 79 | None | -263 | 15 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm0606995 | ||
| 60809 | 4066 | 79 | None | -263 | 15 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm0606995 | ||
| CHEMBL21536 | 4066 | 79 | None | -263 | 15 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm0606995 | ||
| DB15357 | 4066 | 79 | None | -263 | 15 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm0606995 | ||
| 118712538 | 114201 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 534 | 7 | 1 | 4 | 4.8 | O=C(C1CCN(S(=O)(=O)c2ccc3[nH]ncc3c2)CC1)N(Cc1ccccc1C(F)(F)F)CC1CCC1 | 10.1021/jm500995y | ||
| CHEMBL3329766 | 114201 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 534 | 7 | 1 | 4 | 4.8 | O=C(C1CCN(S(=O)(=O)c2ccc3[nH]ncc3c2)CC1)N(Cc1ccccc1C(F)(F)F)CC1CCC1 | 10.1021/jm500995y | ||
| 118712538 | 114201 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 534 | 7 | 1 | 4 | 4.8 | O=C(C1CCN(S(=O)(=O)c2ccc3[nH]ncc3c2)CC1)N(Cc1ccccc1C(F)(F)F)CC1CCC1 | 10.1021/jm500995y | ||
| CHEMBL3329766 | 114201 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 534 | 7 | 1 | 4 | 4.8 | O=C(C1CCN(S(=O)(=O)c2ccc3[nH]ncc3c2)CC1)N(Cc1ccccc1C(F)(F)F)CC1CCC1 | 10.1021/jm500995y | ||
| 139414008 | 164337 | 0 | None | -10 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 346 | 2 | 1 | 2 | 5.1 | CC(C)[C@@H]1N=C(c2ccccc2F)c2cc(Cl)ccc2NC1=S | 10.1016/j.bmcl.2017.11.008 | ||
| CHEMBL4212760 | 164337 | 0 | None | -10 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 346 | 2 | 1 | 2 | 5.1 | CC(C)[C@@H]1N=C(c2ccccc2F)c2cc(Cl)ccc2NC1=S | 10.1016/j.bmcl.2017.11.008 | ||
| 71771056 | 114197 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 512 | 7 | 1 | 4 | 4.0 | O=C(C1CCN(S(=O)(=O)c2ccc3[nH]ncc3c2)CC1)N(CCF)Cc1ccccc1C(F)(F)F | 10.1021/jm500995y | ||
| CHEMBL3329762 | 114197 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 512 | 7 | 1 | 4 | 4.0 | O=C(C1CCN(S(=O)(=O)c2ccc3[nH]ncc3c2)CC1)N(CCF)Cc1ccccc1C(F)(F)F | 10.1021/jm500995y | ||
| 3652 | 4066 | 79 | None | -263 | 15 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm100697g | ||
| 57 | 4066 | 79 | None | -263 | 15 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm100697g | ||
| 60809 | 4066 | 79 | None | -263 | 15 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm100697g | ||
| CHEMBL21536 | 4066 | 79 | None | -263 | 15 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm100697g | ||
| DB15357 | 4066 | 79 | None | -263 | 15 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm100697g | ||
| 3652 | 4066 | 79 | None | -263 | 15 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1016/j.bmcl.2015.08.011 | ||
| 57 | 4066 | 79 | None | -263 | 15 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1016/j.bmcl.2015.08.011 | ||
| 60809 | 4066 | 79 | None | -263 | 15 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1016/j.bmcl.2015.08.011 | ||
| CHEMBL21536 | 4066 | 79 | None | -263 | 15 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1016/j.bmcl.2015.08.011 | ||
| DB15357 | 4066 | 79 | None | -263 | 15 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1016/j.bmcl.2015.08.011 | ||
| 118712535 | 114198 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 522 | 7 | 1 | 4 | 4.8 | CCC(C)N(Cc1ccccc1C(F)(F)F)C(=O)C1CCN(S(=O)(=O)c2ccc3[nH]ncc3c2)CC1 | 10.1021/jm500995y | ||
| CHEMBL3329763 | 114198 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 522 | 7 | 1 | 4 | 4.8 | CCC(C)N(Cc1ccccc1C(F)(F)F)C(=O)C1CCN(S(=O)(=O)c2ccc3[nH]ncc3c2)CC1 | 10.1021/jm500995y | ||
| 46945663 | 17510 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 432 | 5 | 0 | 5 | 4.6 | O=C1C(=O)N(Cc2ccc(Oc3cccc(F)n3)cc2)c2ccc(OC(F)(F)F)cc21 | 10.1016/j.bmcl.2010.08.042 | ||
| CHEMBL1257975 | 17510 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 432 | 5 | 0 | 5 | 4.6 | O=C1C(=O)N(Cc2ccc(Oc3cccc(F)n3)cc2)c2ccc(OC(F)(F)F)cc21 | 10.1016/j.bmcl.2010.08.042 | ||
| 71737627 | 114183 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 444 | 6 | 1 | 4 | 3.2 | CCN(Cc1cccc(F)c1)C(=O)C1CCN(S(=O)(=O)c2ccc3cn[nH]c3c2)CC1 | 10.1021/jm500995y | ||
| CHEMBL3329743 | 114183 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 444 | 6 | 1 | 4 | 3.2 | CCN(Cc1cccc(F)c1)C(=O)C1CCN(S(=O)(=O)c2ccc3cn[nH]c3c2)CC1 | 10.1021/jm500995y | ||
| 118712535 | 114198 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 522 | 7 | 1 | 4 | 4.8 | CCC(C)N(Cc1ccccc1C(F)(F)F)C(=O)C1CCN(S(=O)(=O)c2ccc3[nH]ncc3c2)CC1 | 10.1021/jm500995y | ||
| CHEMBL3329763 | 114198 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 522 | 7 | 1 | 4 | 4.8 | CCC(C)N(Cc1ccccc1C(F)(F)F)C(=O)C1CCN(S(=O)(=O)c2ccc3[nH]ncc3c2)CC1 | 10.1021/jm500995y | ||
| 71737627 | 114183 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 444 | 6 | 1 | 4 | 3.2 | CCN(Cc1cccc(F)c1)C(=O)C1CCN(S(=O)(=O)c2ccc3cn[nH]c3c2)CC1 | 10.1021/jm500995y | ||
| CHEMBL3329743 | 114183 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 444 | 6 | 1 | 4 | 3.2 | CCN(Cc1cccc(F)c1)C(=O)C1CCN(S(=O)(=O)c2ccc3cn[nH]c3c2)CC1 | 10.1021/jm500995y | ||
| 71771058 | 114194 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 508 | 7 | 1 | 4 | 4.4 | CCCN(Cc1ccccc1C(F)(F)F)C(=O)C1CCN(S(=O)(=O)c2ccc3[nH]ncc3c2)CC1 | 10.1021/jm500995y | ||
| CHEMBL3329756 | 114194 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 508 | 7 | 1 | 4 | 4.4 | CCCN(Cc1ccccc1C(F)(F)F)C(=O)C1CCN(S(=O)(=O)c2ccc3[nH]ncc3c2)CC1 | 10.1021/jm500995y | ||
| 71737578 | 114173 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 426 | 6 | 1 | 4 | 3.0 | CCN(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2ccc3[nH]ncc3c2)CC1 | 10.1021/jm500995y | ||
| CHEMBL3329730 | 114173 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 426 | 6 | 1 | 4 | 3.0 | CCN(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2ccc3[nH]ncc3c2)CC1 | 10.1021/jm500995y | ||
| 42598828 | 16071 | 0 | None | -125 | 5 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 390 | 4 | 0 | 5 | 4.4 | CCO[C@H]1CC[C@](C)(N2CCC(n3c(=O)oc4c(F)cc(C)cc43)CC2)CC1 | 10.1016/j.bmcl.2010.07.097 | ||
| CHEMBL1223861 | 16071 | 0 | None | -125 | 5 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 390 | 4 | 0 | 5 | 4.4 | CCO[C@H]1CC[C@](C)(N2CCC(n3c(=O)oc4c(F)cc(C)cc43)CC2)CC1 | 10.1016/j.bmcl.2010.07.097 | ||
| 42598360 | 16072 | 0 | None | -63 | 5 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 388 | 5 | 0 | 6 | 4.0 | CCO[C@H]1CC[C@](C)(N2CCC(n3c(=O)oc4ccc(OC)cc43)CC2)CC1 | 10.1016/j.bmcl.2010.07.097 | ||
| CHEMBL1223862 | 16072 | 0 | None | -63 | 5 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 388 | 5 | 0 | 6 | 4.0 | CCO[C@H]1CC[C@](C)(N2CCC(n3c(=O)oc4ccc(OC)cc43)CC2)CC1 | 10.1016/j.bmcl.2010.07.097 | ||
| 25230693 | 16093 | 0 | None | -63 | 5 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 402 | 6 | 0 | 6 | 3.9 | COCCO[C@H]1CC[C@](C)(N2CCC(n3c(=O)oc4ccc(C)cc43)CC2)CC1 | 10.1016/j.bmcl.2010.07.097 | ||
| CHEMBL1223940 | 16093 | 0 | None | -63 | 5 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 402 | 6 | 0 | 6 | 3.9 | COCCO[C@H]1CC[C@](C)(N2CCC(n3c(=O)oc4ccc(C)cc43)CC2)CC1 | 10.1016/j.bmcl.2010.07.097 | ||
| 44204999 | 63787 | 6 | None | -31 | 3 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 369 | 6 | 1 | 4 | 3.6 | O=c1[nH]c2ccccc2n1C1CCN(CCCOc2ccc(F)cc2)CC1 | 10.1021/ml100105x | ||
| CHEMBL1802360 | 63787 | 6 | None | -31 | 3 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 369 | 6 | 1 | 4 | 3.6 | O=c1[nH]c2ccccc2n1C1CCN(CCCOc2ccc(F)cc2)CC1 | 10.1021/ml100105x | ||
| 71771058 | 114194 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 508 | 7 | 1 | 4 | 4.4 | CCCN(Cc1ccccc1C(F)(F)F)C(=O)C1CCN(S(=O)(=O)c2ccc3[nH]ncc3c2)CC1 | 10.1021/jm500995y | ||
| CHEMBL3329756 | 114194 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 508 | 7 | 1 | 4 | 4.4 | CCCN(Cc1ccccc1C(F)(F)F)C(=O)C1CCN(S(=O)(=O)c2ccc3[nH]ncc3c2)CC1 | 10.1021/jm500995y | ||
| 52947398 | 17326 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 398 | 4 | 0 | 4 | 4.4 | O=C1C(=O)N(Cc2ccc(-c3cccnc3)cc2)c2ccc(OC(F)(F)F)cc21 | 10.1016/j.bmcl.2010.08.042 | ||
| CHEMBL1257388 | 17326 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 398 | 4 | 0 | 4 | 4.4 | O=C1C(=O)N(Cc2ccc(-c3cccnc3)cc2)c2ccc(OC(F)(F)F)cc21 | 10.1016/j.bmcl.2010.08.042 | ||
| 45281794 | 199708 | 49 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 397 | 4 | 0 | 3 | 5.0 | O=C1C(=O)N(Cc2ccc(-c3ccccc3)cc2)c2ccc(OC(F)(F)F)cc21 | 10.1016/j.bmcl.2010.08.042 | ||
| CHEMBL593506 | 199708 | 49 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 397 | 4 | 0 | 3 | 5.0 | O=C1C(=O)N(Cc2ccc(-c3ccccc3)cc2)c2ccc(OC(F)(F)F)cc21 | 10.1016/j.bmcl.2010.08.042 | ||
| 71737578 | 114173 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 426 | 6 | 1 | 4 | 3.0 | CCN(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2ccc3[nH]ncc3c2)CC1 | 10.1021/jm500995y | ||
| CHEMBL3329730 | 114173 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 426 | 6 | 1 | 4 | 3.0 | CCN(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2ccc3[nH]ncc3c2)CC1 | 10.1021/jm500995y | ||
| 71737646 | 114185 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 460 | 6 | 1 | 4 | 3.7 | CCN(Cc1cccc(Cl)c1)C(=O)C1CCN(S(=O)(=O)c2ccc3cn[nH]c3c2)CC1 | 10.1021/jm500995y | ||
| CHEMBL3329745 | 114185 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 460 | 6 | 1 | 4 | 3.7 | CCN(Cc1cccc(Cl)c1)C(=O)C1CCN(S(=O)(=O)c2ccc3cn[nH]c3c2)CC1 | 10.1021/jm500995y | ||
| 71737646 | 114185 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 460 | 6 | 1 | 4 | 3.7 | CCN(Cc1cccc(Cl)c1)C(=O)C1CCN(S(=O)(=O)c2ccc3cn[nH]c3c2)CC1 | 10.1021/jm500995y | ||
| CHEMBL3329745 | 114185 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 460 | 6 | 1 | 4 | 3.7 | CCN(Cc1cccc(Cl)c1)C(=O)C1CCN(S(=O)(=O)c2ccc3cn[nH]c3c2)CC1 | 10.1021/jm500995y | ||
| 71737611 | 114174 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 426 | 6 | 1 | 4 | 3.0 | CCN(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2ccc3cn[nH]c3c2)CC1 | 10.1021/jm500995y | ||
| CHEMBL3329731 | 114174 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 426 | 6 | 1 | 4 | 3.0 | CCN(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2ccc3cn[nH]c3c2)CC1 | 10.1021/jm500995y | ||
| 135409468 | 2022 | 69 | None | -3 | 5 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 312 | 1 | 2 | 4 | 1.7 | Clc1ccc2c(c1)NC(=c1c(=N2)cccc1)N1CCNCC1 | 10.1021/jm100697g | ||
| 333 | 2022 | 69 | None | -3 | 5 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 312 | 1 | 2 | 4 | 1.7 | Clc1ccc2c(c1)NC(=c1c(=N2)cccc1)N1CCNCC1 | 10.1021/jm100697g | ||
| CHEMBL845 | 2022 | 69 | None | -3 | 5 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 312 | 1 | 2 | 4 | 1.7 | Clc1ccc2c(c1)NC(=c1c(=N2)cccc1)N1CCNCC1 | 10.1021/jm100697g | ||
| 44158075 | 178787 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 351 | 4 | 0 | 4 | 3.3 | COc1cccc(CN2C(=O)C(=O)c3cc(OC(F)(F)F)ccc32)c1 | 10.1021/jm900286j | ||
| CHEMBL469144 | 178787 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 351 | 4 | 0 | 4 | 3.3 | COc1cccc(CN2C(=O)C(=O)c3cc(OC(F)(F)F)ccc32)c1 | 10.1021/jm900286j | ||
| 71737611 | 114174 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 426 | 6 | 1 | 4 | 3.0 | CCN(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2ccc3cn[nH]c3c2)CC1 | 10.1021/jm500995y | ||
| CHEMBL3329731 | 114174 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 426 | 6 | 1 | 4 | 3.0 | CCN(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2ccc3cn[nH]c3c2)CC1 | 10.1021/jm500995y | ||
| 71771053 | 114195 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 506 | 7 | 1 | 4 | 4.2 | C=CCN(Cc1ccccc1C(F)(F)F)C(=O)C1CCN(S(=O)(=O)c2ccc3[nH]ncc3c2)CC1 | 10.1021/jm500995y | ||
| CHEMBL3329757 | 114195 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 506 | 7 | 1 | 4 | 4.2 | C=CCN(Cc1ccccc1C(F)(F)F)C(=O)C1CCN(S(=O)(=O)c2ccc3[nH]ncc3c2)CC1 | 10.1021/jm500995y | ||
| 118712534 | 114196 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 520 | 6 | 1 | 4 | 4.6 | O=C(C1CCN(S(=O)(=O)c2ccc3[nH]ncc3c2)CC1)N(Cc1ccccc1C(F)(F)F)C1CCC1 | 10.1021/jm500995y | ||
| CHEMBL3329760 | 114196 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 520 | 6 | 1 | 4 | 4.6 | O=C(C1CCN(S(=O)(=O)c2ccc3[nH]ncc3c2)CC1)N(Cc1ccccc1C(F)(F)F)C1CCC1 | 10.1021/jm500995y | ||
| 71771053 | 114195 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 506 | 7 | 1 | 4 | 4.2 | C=CCN(Cc1ccccc1C(F)(F)F)C(=O)C1CCN(S(=O)(=O)c2ccc3[nH]ncc3c2)CC1 | 10.1021/jm500995y | ||
| CHEMBL3329757 | 114195 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 506 | 7 | 1 | 4 | 4.2 | C=CCN(Cc1ccccc1C(F)(F)F)C(=O)C1CCN(S(=O)(=O)c2ccc3[nH]ncc3c2)CC1 | 10.1021/jm500995y | ||
| 118712534 | 114196 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 520 | 6 | 1 | 4 | 4.6 | O=C(C1CCN(S(=O)(=O)c2ccc3[nH]ncc3c2)CC1)N(Cc1ccccc1C(F)(F)F)C1CCC1 | 10.1021/jm500995y | ||
| CHEMBL3329760 | 114196 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 520 | 6 | 1 | 4 | 4.6 | O=C(C1CCN(S(=O)(=O)c2ccc3[nH]ncc3c2)CC1)N(Cc1ccccc1C(F)(F)F)C1CCC1 | 10.1021/jm500995y | ||
| 44158221 | 172084 | 0 | None | 3 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 389 | 3 | 0 | 3 | 4.3 | O=C1C(=O)N(Cc2ccc(C(F)(F)F)cc2)c2ccc(OC(F)(F)F)cc21 | 10.1021/jm900286j | ||
| CHEMBL447265 | 172084 | 0 | None | 3 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 389 | 3 | 0 | 3 | 4.3 | O=C1C(=O)N(Cc2ccc(C(F)(F)F)cc2)c2ccc(OC(F)(F)F)cc21 | 10.1021/jm900286j | ||
| 44157243 | 187470 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 405 | 4 | 0 | 4 | 4.2 | O=C1C(=O)N(Cc2ccc(OC(F)(F)F)cc2)c2ccc(OC(F)(F)F)cc21 | 10.1021/jm900286j | ||
| CHEMBL494190 | 187470 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 405 | 4 | 0 | 4 | 4.2 | O=C1C(=O)N(Cc2ccc(OC(F)(F)F)cc2)c2ccc(OC(F)(F)F)cc21 | 10.1021/jm900286j | ||
| 187 | 255 | 39 | None | -1 | 8 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1016/j.bmcl.2015.08.011 | ||
| 294 | 255 | 39 | None | -1 | 8 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1016/j.bmcl.2015.08.011 | ||
| 65 | 255 | 39 | None | -1 | 8 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1016/j.bmcl.2015.08.011 | ||
| 8593 | 255 | 39 | None | -1 | 8 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1016/j.bmcl.2015.08.011 | ||
| CHEMBL667 | 255 | 39 | None | -1 | 8 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1016/j.bmcl.2015.08.011 | ||
| DB03128 | 255 | 39 | None | -1 | 8 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1016/j.bmcl.2015.08.011 | ||
| 42598591 | 16045 | 0 | None | -39 | 5 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 384 | 5 | 0 | 3 | 4.5 | CCCO[C@H]1CC[C@](C)(N2CCC(N3C(=O)Cc4ccc(C)cc43)CC2)CC1 | 10.1016/j.bmcl.2010.07.097 | ||
| CHEMBL1223803 | 16045 | 0 | None | -39 | 5 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 384 | 5 | 0 | 3 | 4.5 | CCCO[C@H]1CC[C@](C)(N2CCC(N3C(=O)Cc4ccc(C)cc43)CC2)CC1 | 10.1016/j.bmcl.2010.07.097 | ||
| 42599070 | 16046 | 0 | None | -50 | 5 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 370 | 4 | 0 | 3 | 4.1 | CCO[C@H]1CC[C@](C)(N2CCC(N3C(=O)Cc4ccc(C)cc43)CC2)CC1 | 10.1016/j.bmcl.2010.07.097 | ||
| CHEMBL1223804 | 16046 | 0 | None | -50 | 5 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 370 | 4 | 0 | 3 | 4.1 | CCO[C@H]1CC[C@](C)(N2CCC(N3C(=O)Cc4ccc(C)cc43)CC2)CC1 | 10.1016/j.bmcl.2010.07.097 | ||
| 71737672 | 2559 | 19 | None | -1 | 6 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 494 | 6 | 1 | 4 | 4.0 | CCN(C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2c(c1)cn[nH]2)Cc1ccccc1C(F)(F)F | 10.1021/jm500995y | ||
| 8687 | 2559 | 19 | None | -1 | 6 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 494 | 6 | 1 | 4 | 4.0 | CCN(C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2c(c1)cn[nH]2)Cc1ccccc1C(F)(F)F | 10.1021/jm500995y | ||
| CHEMBL3329755 | 2559 | 19 | None | -1 | 6 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 494 | 6 | 1 | 4 | 4.0 | CCN(C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2c(c1)cn[nH]2)Cc1ccccc1C(F)(F)F | 10.1021/jm500995y | ||
| 44602489 | 201345 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 413 | 5 | 0 | 4 | 5.1 | O=C1C(=O)N(Cc2ccc(Oc3ccccc3)cc2)c2ccc(OC(F)(F)F)cc21 | 10.1016/j.bmcl.2009.11.089 | ||
| CHEMBL604482 | 201345 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 413 | 5 | 0 | 4 | 5.1 | O=C1C(=O)N(Cc2ccc(Oc3ccccc3)cc2)c2ccc(OC(F)(F)F)cc21 | 10.1016/j.bmcl.2009.11.089 | ||
| 44157160 | 178759 | 3 | None | 2 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 333 | 2 | 0 | 2 | 3.3 | O=C1C(=O)N(Cc2ccc(Br)cc2)c2c(F)cccc21 | 10.1021/jm900286j | ||
| CHEMBL468925 | 178759 | 3 | None | 2 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 333 | 2 | 0 | 2 | 3.3 | O=C1C(=O)N(Cc2ccc(Br)cc2)c2c(F)cccc21 | 10.1021/jm900286j | ||
| 71737672 | 2559 | 19 | None | -1 | 6 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 494 | 6 | 1 | 4 | 4.0 | CCN(C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2c(c1)cn[nH]2)Cc1ccccc1C(F)(F)F | 10.1021/jm500995y | ||
| 8687 | 2559 | 19 | None | -1 | 6 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 494 | 6 | 1 | 4 | 4.0 | CCN(C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2c(c1)cn[nH]2)Cc1ccccc1C(F)(F)F | 10.1021/jm500995y | ||
| CHEMBL3329755 | 2559 | 19 | None | -1 | 6 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 494 | 6 | 1 | 4 | 4.0 | CCN(C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2c(c1)cn[nH]2)Cc1ccccc1C(F)(F)F | 10.1021/jm500995y | ||
| 44158142 | 188646 | 43 | None | 1 | 4 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 339 | 2 | 0 | 2 | 4.1 | O=C1C(=O)N(Cc2ccc(C(F)(F)F)cc2)c2c(Cl)cccc21 | 10.1016/j.bmcl.2009.11.089 | ||
| CHEMBL503735 | 188646 | 43 | None | 1 | 4 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 339 | 2 | 0 | 2 | 4.1 | O=C1C(=O)N(Cc2ccc(C(F)(F)F)cc2)c2c(Cl)cccc21 | 10.1016/j.bmcl.2009.11.089 | ||
| 52947457 | 17366 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 399 | 4 | 0 | 5 | 3.8 | O=C1C(=O)N(Cc2ccc(-c3cncnc3)cc2)c2ccc(OC(F)(F)F)cc21 | 10.1016/j.bmcl.2010.08.042 | ||
| CHEMBL1257498 | 17366 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 399 | 4 | 0 | 5 | 3.8 | O=C1C(=O)N(Cc2ccc(-c3cncnc3)cc2)c2ccc(OC(F)(F)F)cc21 | 10.1016/j.bmcl.2010.08.042 | ||
| 71737647 | 114184 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 444 | 6 | 1 | 4 | 3.2 | CCN(Cc1ccccc1F)C(=O)C1CCN(S(=O)(=O)c2ccc3cn[nH]c3c2)CC1 | 10.1021/jm500995y | ||
| CHEMBL3329744 | 114184 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 444 | 6 | 1 | 4 | 3.2 | CCN(Cc1ccccc1F)C(=O)C1CCN(S(=O)(=O)c2ccc3cn[nH]c3c2)CC1 | 10.1021/jm500995y | ||
| 44158142 | 188646 | 43 | None | 1 | 4 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 339 | 2 | 0 | 2 | 4.1 | O=C1C(=O)N(Cc2ccc(C(F)(F)F)cc2)c2c(Cl)cccc21 | 10.1021/jm900286j | ||
| CHEMBL503735 | 188646 | 43 | None | 1 | 4 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 339 | 2 | 0 | 2 | 4.1 | O=C1C(=O)N(Cc2ccc(C(F)(F)F)cc2)c2c(Cl)cccc21 | 10.1021/jm900286j | ||
| 71737647 | 114184 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 444 | 6 | 1 | 4 | 3.2 | CCN(Cc1ccccc1F)C(=O)C1CCN(S(=O)(=O)c2ccc3cn[nH]c3c2)CC1 | 10.1021/jm500995y | ||
| CHEMBL3329744 | 114184 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 444 | 6 | 1 | 4 | 3.2 | CCN(Cc1ccccc1F)C(=O)C1CCN(S(=O)(=O)c2ccc3cn[nH]c3c2)CC1 | 10.1021/jm500995y | ||
| 46945864 | 17543 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 444 | 6 | 0 | 6 | 4.5 | COc1cccc(Oc2ccc(CN3C(=O)C(=O)c4cc(OC(F)(F)F)ccc43)cc2)n1 | 10.1016/j.bmcl.2010.08.042 | ||
| CHEMBL1258090 | 17543 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 444 | 6 | 0 | 6 | 4.5 | COc1cccc(Oc2ccc(CN3C(=O)C(=O)c4cc(OC(F)(F)F)ccc43)cc2)n1 | 10.1016/j.bmcl.2010.08.042 | ||
| 71737606 | 114172 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 426 | 6 | 0 | 4 | 3.9 | CCN(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2ccc3occc3c2)CC1 | 10.1021/jm500995y | ||
| CHEMBL3329729 | 114172 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 426 | 6 | 0 | 4 | 3.9 | CCN(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2ccc3occc3c2)CC1 | 10.1021/jm500995y | ||
| 52950176 | 17367 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 356 | 3 | 0 | 4 | 3.4 | O=C1C(=O)N(Cc2ccc(Cl)nc2)c2ccc(OC(F)(F)F)cc21 | 10.1016/j.bmcl.2010.08.042 | ||
| CHEMBL1257499 | 17367 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 356 | 3 | 0 | 4 | 3.4 | O=C1C(=O)N(Cc2ccc(Cl)nc2)c2ccc(OC(F)(F)F)cc21 | 10.1016/j.bmcl.2010.08.042 | ||
| 71737606 | 114172 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 426 | 6 | 0 | 4 | 3.9 | CCN(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2ccc3occc3c2)CC1 | 10.1021/jm500995y | ||
| CHEMBL3329729 | 114172 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 426 | 6 | 0 | 4 | 3.9 | CCN(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2ccc3occc3c2)CC1 | 10.1021/jm500995y | ||
| 25010776 | 55925 | 2 | None | -11 | 5 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 333 | 6 | 2 | 4 | 1.9 | CCOC(=O)N1CCC(NCCNC(=O)c2ccccc2C)CC1 | nan | ||
| CHEMBL1559151 | 55925 | 2 | None | -11 | 5 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 333 | 6 | 2 | 4 | 1.9 | CCOC(=O)N1CCC(NCCNC(=O)c2ccccc2C)CC1 | nan | ||
| CHEMBL1624037 | 55925 | 2 | None | -11 | 5 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 333 | 6 | 2 | 4 | 1.9 | CCOC(=O)N1CCC(NCCNC(=O)c2ccccc2C)CC1 | nan | ||
| 71737645 | 114186 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 456 | 7 | 1 | 5 | 3.0 | CCN(Cc1cccc(OC)c1)C(=O)C1CCN(S(=O)(=O)c2ccc3cn[nH]c3c2)CC1 | 10.1021/jm500995y | ||
| CHEMBL3329746 | 114186 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 456 | 7 | 1 | 5 | 3.0 | CCN(Cc1cccc(OC)c1)C(=O)C1CCN(S(=O)(=O)c2ccc3cn[nH]c3c2)CC1 | 10.1021/jm500995y | ||
| 71737645 | 114186 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 456 | 7 | 1 | 5 | 3.0 | CCN(Cc1cccc(OC)c1)C(=O)C1CCN(S(=O)(=O)c2ccc3cn[nH]c3c2)CC1 | 10.1021/jm500995y | ||
| CHEMBL3329746 | 114186 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 456 | 7 | 1 | 5 | 3.0 | CCN(Cc1cccc(OC)c1)C(=O)C1CCN(S(=O)(=O)c2ccc3cn[nH]c3c2)CC1 | 10.1021/jm500995y | ||
| 45281794 | 199708 | 49 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 397 | 4 | 0 | 3 | 5.0 | O=C1C(=O)N(Cc2ccc(-c3ccccc3)cc2)c2ccc(OC(F)(F)F)cc21 | 10.1016/j.bmcl.2009.11.089 | ||
| CHEMBL593506 | 199708 | 49 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 397 | 4 | 0 | 3 | 5.0 | O=C1C(=O)N(Cc2ccc(-c3ccccc3)cc2)c2ccc(OC(F)(F)F)cc21 | 10.1016/j.bmcl.2009.11.089 | ||
| 45281808 | 200029 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 397 | 4 | 0 | 3 | 5.0 | O=C1C(=O)N(Cc2ccc(-c3ccccc3)cc2)c2cc(OC(F)(F)F)ccc21 | 10.1016/j.bmcl.2009.11.089 | ||
| CHEMBL595628 | 200029 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 397 | 4 | 0 | 3 | 5.0 | O=C1C(=O)N(Cc2ccc(-c3ccccc3)cc2)c2cc(OC(F)(F)F)ccc21 | 10.1016/j.bmcl.2009.11.089 | ||
| 45281797 | 201161 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 403 | 4 | 0 | 4 | 5.0 | O=C1C(=O)N(Cc2ccc(-c3ccsc3)cc2)c2ccc(OC(F)(F)F)cc21 | 10.1016/j.bmcl.2009.11.089 | ||
| CHEMBL603445 | 201161 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 403 | 4 | 0 | 4 | 5.0 | O=C1C(=O)N(Cc2ccc(-c3ccsc3)cc2)c2ccc(OC(F)(F)F)cc21 | 10.1016/j.bmcl.2009.11.089 | ||
| 76313419 | 103238 | 0 | None | -69 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 345 | 6 | 2 | 4 | 1.9 | CCOC(=O)N1C[C@@H]2CC[C@H](C1)[C@@H]2NCCNC(=O)c1ccccc1 | 10.1016/j.bmcl.2012.03.088 | ||
| CHEMBL3084447 | 103238 | 0 | None | -69 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 345 | 6 | 2 | 4 | 1.9 | CCOC(=O)N1C[C@@H]2CC[C@H](C1)[C@@H]2NCCNC(=O)c1ccccc1 | 10.1016/j.bmcl.2012.03.088 | ||
| 52949833 | 17327 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 398 | 4 | 0 | 4 | 4.4 | O=C1C(=O)N(Cc2ccc(-c3ccncc3)cc2)c2ccc(OC(F)(F)F)cc21 | 10.1016/j.bmcl.2010.08.042 | ||
| CHEMBL1257389 | 17327 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 398 | 4 | 0 | 4 | 4.4 | O=C1C(=O)N(Cc2ccc(-c3ccncc3)cc2)c2ccc(OC(F)(F)F)cc21 | 10.1016/j.bmcl.2010.08.042 | ||
| 46945865 | 17544 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 420 | 5 | 0 | 6 | 4.6 | O=C1C(=O)N(Cc2ccc(Oc3nccs3)cc2)c2ccc(OC(F)(F)F)cc21 | 10.1016/j.bmcl.2010.08.042 | ||
| CHEMBL1258091 | 17544 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 420 | 5 | 0 | 6 | 4.6 | O=C1C(=O)N(Cc2ccc(Oc3nccs3)cc2)c2ccc(OC(F)(F)F)cc21 | 10.1016/j.bmcl.2010.08.042 | ||
| 71771054 | 114175 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 444 | 6 | 0 | 6 | 3.1 | CCN(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2ccc3nsnc3c2)CC1 | 10.1021/jm500995y | ||
| CHEMBL3329732 | 114175 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 444 | 6 | 0 | 6 | 3.1 | CCN(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2ccc3nsnc3c2)CC1 | 10.1021/jm500995y | ||
| 71771054 | 114175 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 444 | 6 | 0 | 6 | 3.1 | CCN(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2ccc3nsnc3c2)CC1 | 10.1021/jm500995y | ||
| CHEMBL3329732 | 114175 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 444 | 6 | 0 | 6 | 3.1 | CCN(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2ccc3nsnc3c2)CC1 | 10.1021/jm500995y | ||
| 71737574 | 114171 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 416 | 7 | 0 | 4 | 3.1 | CCN(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2cccc(OC)c2)CC1 | 10.1021/jm500995y | ||
| CHEMBL3329717 | 114171 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 416 | 7 | 0 | 4 | 3.1 | CCN(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2cccc(OC)c2)CC1 | 10.1021/jm500995y | ||
| 52941424 | 17407 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 398 | 4 | 0 | 4 | 4.4 | O=C1C(=O)N(Cc2ccc(-c3ccccc3)cn2)c2ccc(OC(F)(F)F)cc21 | 10.1016/j.bmcl.2010.08.042 | ||
| CHEMBL1257619 | 17407 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 398 | 4 | 0 | 4 | 4.4 | O=C1C(=O)N(Cc2ccc(-c3ccccc3)cn2)c2ccc(OC(F)(F)F)cc21 | 10.1016/j.bmcl.2010.08.042 | ||
| 71737574 | 114171 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 416 | 7 | 0 | 4 | 3.1 | CCN(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2cccc(OC)c2)CC1 | 10.1021/jm500995y | ||
| CHEMBL3329717 | 114171 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 416 | 7 | 0 | 4 | 3.1 | CCN(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2cccc(OC)c2)CC1 | 10.1021/jm500995y | ||
| 42599071 | 16092 | 0 | None | -125 | 5 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 450 | 6 | 0 | 7 | 3.8 | CCCO[C@H]1CC[C@](C)(N2CCC(n3c(=O)oc4ccc(S(C)(=O)=O)cc43)CC2)CC1 | 10.1016/j.bmcl.2010.07.097 | ||
| CHEMBL1223939 | 16092 | 0 | None | -125 | 5 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 450 | 6 | 0 | 7 | 3.8 | CCCO[C@H]1CC[C@](C)(N2CCC(n3c(=O)oc4ccc(S(C)(=O)=O)cc43)CC2)CC1 | 10.1016/j.bmcl.2010.07.097 | ||
| 10946670 | 189152 | 3 | None | 1 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 305 | 2 | 0 | 2 | 3.4 | O=C1C(=O)N(Cc2ccc(C(F)(F)F)cc2)c2ccccc21 | 10.1021/jm900286j | ||
| CHEMBL511206 | 189152 | 3 | None | 1 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 305 | 2 | 0 | 2 | 3.4 | O=C1C(=O)N(Cc2ccc(C(F)(F)F)cc2)c2ccccc21 | 10.1021/jm900286j | ||
| 52943684 | 17261 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 365 | 3 | 0 | 5 | 3.0 | O=C1C(=O)N(Cc2ccc3c(c2)OCO3)c2ccc(OC(F)(F)F)cc21 | 10.1016/j.bmcl.2010.08.042 | ||
| CHEMBL1257151 | 17261 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 365 | 3 | 0 | 5 | 3.0 | O=C1C(=O)N(Cc2ccc3c(c2)OCO3)c2ccc(OC(F)(F)F)cc21 | 10.1016/j.bmcl.2010.08.042 | ||
| 46945664 | 17509 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 414 | 5 | 0 | 5 | 4.5 | O=C1C(=O)N(Cc2ccc(Oc3ccccn3)cc2)c2ccc(OC(F)(F)F)cc21 | 10.1016/j.bmcl.2010.08.042 | ||
| CHEMBL1257974 | 17509 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 414 | 5 | 0 | 5 | 4.5 | O=C1C(=O)N(Cc2ccc(Oc3ccccn3)cc2)c2ccc(OC(F)(F)F)cc21 | 10.1016/j.bmcl.2010.08.042 | ||
| 44158139 | 178680 | 0 | None | 1 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 323 | 2 | 0 | 2 | 3.6 | O=C1C(=O)N(Cc2ccc(C(F)(F)F)cc2)c2c(F)cccc21 | 10.1021/jm900286j | ||
| CHEMBL468290 | 178680 | 0 | None | 1 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 323 | 2 | 0 | 2 | 3.6 | O=C1C(=O)N(Cc2ccc(C(F)(F)F)cc2)c2c(F)cccc21 | 10.1021/jm900286j | ||
| 44158003 | 188784 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 335 | 3 | 0 | 3 | 3.6 | Cc1ccccc1CN1C(=O)C(=O)c2cc(OC(F)(F)F)ccc21 | 10.1021/jm900286j | ||
| CHEMBL506043 | 188784 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 335 | 3 | 0 | 3 | 3.6 | Cc1ccccc1CN1C(=O)C(=O)c2cc(OC(F)(F)F)ccc21 | 10.1021/jm900286j | ||
| 45281803 | 200147 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 401 | 4 | 0 | 5 | 3.7 | Cn1cc(-c2ccc(CN3C(=O)C(=O)c4cc(OC(F)(F)F)ccc43)cc2)cn1 | 10.1016/j.bmcl.2009.11.089 | ||
| CHEMBL596510 | 200147 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 401 | 4 | 0 | 5 | 3.7 | Cn1cc(-c2ccc(CN3C(=O)C(=O)c4cc(OC(F)(F)F)ccc43)cc2)cn1 | 10.1016/j.bmcl.2009.11.089 | ||
| 26415265 | 114170 | 1 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 416 | 7 | 0 | 4 | 3.1 | CCN(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 | 10.1021/jm500995y | ||
| CHEMBL3329716 | 114170 | 1 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 416 | 7 | 0 | 4 | 3.1 | CCN(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 | 10.1021/jm500995y | ||
| 26415265 | 114170 | 1 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 416 | 7 | 0 | 4 | 3.1 | CCN(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 | 10.1021/jm500995y | ||
| CHEMBL3329716 | 114170 | 1 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 416 | 7 | 0 | 4 | 3.1 | CCN(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 | 10.1021/jm500995y | ||
| 44589681 | 185264 | 0 | None | -3 | 5 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 387 | 5 | 2 | 6 | 1.5 | NC(=O)OCCN1CCC(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1 | 10.1016/j.bmcl.2008.09.032 | ||
| CHEMBL485913 | 185264 | 0 | None | -3 | 5 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 387 | 5 | 2 | 6 | 1.5 | NC(=O)OCCN1CCC(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1 | 10.1016/j.bmcl.2008.09.032 | ||
| 22745278 | 187039 | 1 | None | -16 | 5 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 372 | 3 | 1 | 5 | 2.6 | CCOC(=O)N1CCC(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1 | 10.1016/j.bmcl.2008.09.023 | ||
| CHEMBL491209 | 187039 | 1 | None | -16 | 5 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 372 | 3 | 1 | 5 | 2.6 | CCOC(=O)N1CCC(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1 | 10.1016/j.bmcl.2008.09.023 | ||
| 71737709 | 114193 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 460 | 6 | 1 | 4 | 3.7 | CCN(Cc1ccccc1Cl)C(=O)C1CCN(S(=O)(=O)c2ccc3[nH]ncc3c2)CC1 | 10.1021/jm500995y | ||
| CHEMBL3329754 | 114193 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 460 | 6 | 1 | 4 | 3.7 | CCN(Cc1ccccc1Cl)C(=O)C1CCN(S(=O)(=O)c2ccc3[nH]ncc3c2)CC1 | 10.1021/jm500995y | ||
| 71737709 | 114193 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 460 | 6 | 1 | 4 | 3.7 | CCN(Cc1ccccc1Cl)C(=O)C1CCN(S(=O)(=O)c2ccc3[nH]ncc3c2)CC1 | 10.1021/jm500995y | ||
| CHEMBL3329754 | 114193 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 460 | 6 | 1 | 4 | 3.7 | CCN(Cc1ccccc1Cl)C(=O)C1CCN(S(=O)(=O)c2ccc3[nH]ncc3c2)CC1 | 10.1021/jm500995y | ||
| 45281801 | 200146 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 416 | 4 | 0 | 4 | 4.5 | O=C1C(=O)N(Cc2ccc(-c3ccc(F)nc3)cc2)c2ccc(OC(F)(F)F)cc21 | 10.1016/j.bmcl.2009.11.089 | ||
| CHEMBL596509 | 200146 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 416 | 4 | 0 | 4 | 4.5 | O=C1C(=O)N(Cc2ccc(-c3ccc(F)nc3)cc2)c2ccc(OC(F)(F)F)cc21 | 10.1016/j.bmcl.2009.11.089 | ||
| 53385782 | 74284 | 0 | None | -117 | 3 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 399 | 4 | 1 | 4 | 3.3 | CCOC(=O)N1C2CCC1CC(N1CCC[C@@H](NC(=O)c3ccccc3C)C1)C2 | 10.1016/j.bmcl.2012.03.088 | ||
| CHEMBL2024331 | 74284 | 0 | None | -117 | 3 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 399 | 4 | 1 | 4 | 3.3 | CCOC(=O)N1C2CCC1CC(N1CCC[C@@H](NC(=O)c3ccccc3C)C1)C2 | 10.1016/j.bmcl.2012.03.088 | ||
| 46945662 | 17445 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 398 | 4 | 0 | 4 | 4.4 | O=C1C(=O)N(Cc2ccc(-c3ccccc3)nc2)c2ccc(OC(F)(F)F)cc21 | 10.1016/j.bmcl.2010.08.042 | ||
| CHEMBL1257741 | 17445 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 398 | 4 | 0 | 4 | 4.4 | O=C1C(=O)N(Cc2ccc(-c3ccccc3)nc2)c2ccc(OC(F)(F)F)cc21 | 10.1016/j.bmcl.2010.08.042 | ||
| 45281796 | 199990 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 427 | 5 | 0 | 4 | 5.0 | COc1ccccc1-c1ccc(CN2C(=O)C(=O)c3cc(OC(F)(F)F)ccc32)cc1 | 10.1016/j.bmcl.2009.11.089 | ||
| CHEMBL595403 | 199990 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 427 | 5 | 0 | 4 | 5.0 | COc1ccccc1-c1ccc(CN2C(=O)C(=O)c3cc(OC(F)(F)F)ccc32)cc1 | 10.1016/j.bmcl.2009.11.089 | ||
| 44157241 | 189163 | 3 | None | 1 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 301 | 3 | 0 | 3 | 3.1 | COc1ccc(CN2C(=O)C(=O)c3cccc(Cl)c32)cc1 | 10.1021/jm900286j | ||
| CHEMBL511254 | 189163 | 3 | None | 1 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 301 | 3 | 0 | 3 | 3.1 | COc1ccc(CN2C(=O)C(=O)c3cccc(Cl)c32)cc1 | 10.1021/jm900286j | ||
| 42598829 | 16048 | 0 | None | -50 | 5 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 358 | 3 | 0 | 5 | 3.9 | CO[C@H]1CC[C@](C)(N2CCC(n3c(=O)oc4ccc(C)cc43)CC2)CC1 | 10.1016/j.bmcl.2010.07.097 | ||
| CHEMBL1223806 | 16048 | 0 | None | -50 | 5 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 358 | 3 | 0 | 5 | 3.9 | CO[C@H]1CC[C@](C)(N2CCC(n3c(=O)oc4ccc(C)cc43)CC2)CC1 | 10.1016/j.bmcl.2010.07.097 | ||
| 42598357 | 16073 | 0 | None | -125 | 5 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 383 | 4 | 0 | 6 | 3.8 | CCO[C@H]1CC[C@](C)(N2CCC(n3c(=O)oc4ccc(C#N)cc43)CC2)CC1 | 10.1016/j.bmcl.2010.07.097 | ||
| CHEMBL1223863 | 16073 | 0 | None | -125 | 5 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 383 | 4 | 0 | 6 | 3.8 | CCO[C@H]1CC[C@](C)(N2CCC(n3c(=O)oc4ccc(C#N)cc43)CC2)CC1 | 10.1016/j.bmcl.2010.07.097 | ||
| 52949292 | 17480 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 399 | 4 | 0 | 5 | 3.8 | O=C1C(=O)N(Cc2ccc(-c3cccnc3)nc2)c2ccc(OC(F)(F)F)cc21 | 10.1016/j.bmcl.2010.08.042 | ||
| CHEMBL1257862 | 17480 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 399 | 4 | 0 | 5 | 3.8 | O=C1C(=O)N(Cc2ccc(-c3cccnc3)nc2)c2ccc(OC(F)(F)F)cc21 | 10.1016/j.bmcl.2010.08.042 | ||
| 44157714 | 189397 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 355 | 3 | 0 | 3 | 4.0 | O=C1C(=O)N(Cc2ccccc2Cl)c2ccc(OC(F)(F)F)cc21 | 10.1021/jm900286j | ||
| CHEMBL513299 | 189397 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 355 | 3 | 0 | 3 | 4.0 | O=C1C(=O)N(Cc2ccccc2Cl)c2ccc(OC(F)(F)F)cc21 | 10.1021/jm900286j | ||
| 3008304 | 3992 | 52 | None | 1 | 4 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 315 | 2 | 0 | 2 | 3.2 | Brc1ccc(cc1)CN1c2ccccc2C(=O)C1=O | 10.1021/jm900286j | ||
| 7632 | 3992 | 52 | None | 1 | 4 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 315 | 2 | 0 | 2 | 3.2 | Brc1ccc(cc1)CN1c2ccccc2C(=O)C1=O | 10.1021/jm900286j | ||
| CHEMBL523685 | 3992 | 52 | None | 1 | 4 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 315 | 2 | 0 | 2 | 3.2 | Brc1ccc(cc1)CN1c2ccccc2C(=O)C1=O | 10.1021/jm900286j | ||
| 44158077 | 178573 | 1 | None | 1 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 323 | 2 | 0 | 2 | 3.6 | O=C1C(=O)N(Cc2ccccc2C(F)(F)F)c2ccc(F)cc21 | 10.1021/jm900286j | ||
| CHEMBL467281 | 178573 | 1 | None | 1 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 323 | 2 | 0 | 2 | 3.6 | O=C1C(=O)N(Cc2ccccc2C(F)(F)F)c2ccc(F)cc21 | 10.1021/jm900286j | ||
| 3008304 | 3992 | 52 | None | 1 | 4 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 315 | 2 | 0 | 2 | 3.2 | Brc1ccc(cc1)CN1c2ccccc2C(=O)C1=O | 10.1016/j.bmcl.2009.11.089 | ||
| 7632 | 3992 | 52 | None | 1 | 4 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 315 | 2 | 0 | 2 | 3.2 | Brc1ccc(cc1)CN1c2ccccc2C(=O)C1=O | 10.1016/j.bmcl.2009.11.089 | ||
| CHEMBL523685 | 3992 | 52 | None | 1 | 4 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 315 | 2 | 0 | 2 | 3.2 | Brc1ccc(cc1)CN1c2ccccc2C(=O)C1=O | 10.1016/j.bmcl.2009.11.089 | ||
| 76324306 | 103240 | 0 | None | -61 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 379 | 6 | 2 | 4 | 2.5 | CCOC(=O)N1C[C@@H]2CC[C@H](C1)[C@@H]2NCCNC(=O)c1cccc(Cl)c1 | 10.1016/j.bmcl.2012.03.088 | ||
| CHEMBL3084449 | 103240 | 0 | None | -61 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 379 | 6 | 2 | 4 | 2.5 | CCOC(=O)N1C[C@@H]2CC[C@H](C1)[C@@H]2NCCNC(=O)c1cccc(Cl)c1 | 10.1016/j.bmcl.2012.03.088 | ||
| 71792 | 78377 | 38 | None | 1 | 5 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 165 | 2 | 0 | 2 | 0.7 | C#CCO[C@H]1CN2CCC1CC2 | 10.1016/j.bmcl.2015.08.011 | ||
| CHEMBL2111051 | 78377 | 38 | None | 1 | 5 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 165 | 2 | 0 | 2 | 0.7 | C#CCO[C@H]1CN2CCC1CC2 | 10.1016/j.bmcl.2015.08.011 | ||
| 52941977 | 17481 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 399 | 4 | 0 | 5 | 3.8 | O=C1C(=O)N(Cc2ccc(-c3ccncc3)nc2)c2ccc(OC(F)(F)F)cc21 | 10.1016/j.bmcl.2010.08.042 | ||
| CHEMBL1257863 | 17481 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 399 | 4 | 0 | 5 | 3.8 | O=C1C(=O)N(Cc2ccc(-c3ccncc3)nc2)c2ccc(OC(F)(F)F)cc21 | 10.1016/j.bmcl.2010.08.042 | ||
| 3008304 | 3992 | 52 | None | 1 | 4 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 315 | 2 | 0 | 2 | 3.2 | Brc1ccc(cc1)CN1c2ccccc2C(=O)C1=O | 10.1016/j.bmcl.2010.08.042 | ||
| 7632 | 3992 | 52 | None | 1 | 4 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 315 | 2 | 0 | 2 | 3.2 | Brc1ccc(cc1)CN1c2ccccc2C(=O)C1=O | 10.1016/j.bmcl.2010.08.042 | ||
| CHEMBL523685 | 3992 | 52 | None | 1 | 4 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 315 | 2 | 0 | 2 | 3.2 | Brc1ccc(cc1)CN1c2ccccc2C(=O)C1=O | 10.1016/j.bmcl.2010.08.042 | ||
| 13248082 | 187596 | 5 | None | 1 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 367 | 2 | 0 | 2 | 4.0 | O=C1C(=O)N(Cc2ccc(Br)cc2F)c2c(Cl)cccc21 | 10.1021/jm900286j | ||
| CHEMBL494846 | 187596 | 5 | None | 1 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 367 | 2 | 0 | 2 | 4.0 | O=C1C(=O)N(Cc2ccc(Br)cc2F)c2c(Cl)cccc21 | 10.1021/jm900286j | ||
| 644390 | 40382 | 6 | None | -1 | 4 | Human | 4.3 | pEC50 | = | 4.3 | Functional | ChEMBL | 353 | 6 | 2 | 4 | 2.3 | CCOC(=O)N1CCC(NCCNC(=O)c2ccccc2Cl)CC1 | nan | ||
| CHEMBL1482157 | 40382 | 6 | None | -1 | 4 | Human | 4.3 | pEC50 | = | 4.3 | Functional | ChEMBL | 353 | 6 | 2 | 4 | 2.3 | CCOC(=O)N1CCC(NCCNC(=O)c2ccccc2Cl)CC1 | nan | ||
| 71737648 | 114191 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 494 | 6 | 1 | 4 | 4.0 | CCN(Cc1ccccc1C(F)(F)F)C(=O)C1CCN(S(=O)(=O)c2ccc3cn[nH]c3c2)CC1 | 10.1021/jm500995y | ||
| CHEMBL3329751 | 114191 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 494 | 6 | 1 | 4 | 4.0 | CCN(Cc1ccccc1C(F)(F)F)C(=O)C1CCN(S(=O)(=O)c2ccc3cn[nH]c3c2)CC1 | 10.1021/jm500995y | ||
| 71737648 | 114191 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 494 | 6 | 1 | 4 | 4.0 | CCN(Cc1ccccc1C(F)(F)F)C(=O)C1CCN(S(=O)(=O)c2ccc3cn[nH]c3c2)CC1 | 10.1021/jm500995y | ||
| CHEMBL3329751 | 114191 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 494 | 6 | 1 | 4 | 4.0 | CCN(Cc1ccccc1C(F)(F)F)C(=O)C1CCN(S(=O)(=O)c2ccc3cn[nH]c3c2)CC1 | 10.1021/jm500995y | ||
| 45281798 | 200115 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 432 | 4 | 0 | 4 | 5.0 | O=C1C(=O)N(Cc2ccc(-c3ccc(Cl)nc3)cc2)c2ccc(OC(F)(F)F)cc21 | 10.1016/j.bmcl.2009.11.089 | ||
| CHEMBL596289 | 200115 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 432 | 4 | 0 | 4 | 5.0 | O=C1C(=O)N(Cc2ccc(-c3ccc(Cl)nc3)cc2)c2ccc(OC(F)(F)F)cc21 | 10.1016/j.bmcl.2009.11.089 | ||
| 42598358 | 16070 | 0 | None | -50 | 5 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 390 | 4 | 0 | 5 | 4.4 | CCO[C@H]1CC[C@](C)(N2CCC(n3c(=O)oc4cc(F)c(C)cc43)CC2)CC1 | 10.1016/j.bmcl.2010.07.097 | ||
| CHEMBL1223860 | 16070 | 0 | None | -50 | 5 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 390 | 4 | 0 | 5 | 4.4 | CCO[C@H]1CC[C@](C)(N2CCC(n3c(=O)oc4cc(F)c(C)cc43)CC2)CC1 | 10.1016/j.bmcl.2010.07.097 | ||
| 42598586 | 16091 | 0 | None | -25 | 4 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 450 | 6 | 0 | 7 | 3.8 | CCO[C@H]1CC[C@](C)(N2CCC(n3c(=O)oc4ccc(S(=O)(=O)CC)cc43)CC2)CC1 | 10.1016/j.bmcl.2010.07.097 | ||
| CHEMBL1223938 | 16091 | 0 | None | -25 | 4 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 450 | 6 | 0 | 7 | 3.8 | CCO[C@H]1CC[C@](C)(N2CCC(n3c(=O)oc4ccc(S(=O)(=O)CC)cc43)CC2)CC1 | 10.1016/j.bmcl.2010.07.097 | ||
| 71737683 | 114192 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 494 | 6 | 1 | 4 | 4.0 | CCN(Cc1cccc(C(F)(F)F)c1)C(=O)C1CCN(S(=O)(=O)c2ccc3cn[nH]c3c2)CC1 | 10.1021/jm500995y | ||
| CHEMBL3329752 | 114192 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 494 | 6 | 1 | 4 | 4.0 | CCN(Cc1cccc(C(F)(F)F)c1)C(=O)C1CCN(S(=O)(=O)c2ccc3cn[nH]c3c2)CC1 | 10.1021/jm500995y | ||
| 71737683 | 114192 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 494 | 6 | 1 | 4 | 4.0 | CCN(Cc1cccc(C(F)(F)F)c1)C(=O)C1CCN(S(=O)(=O)c2ccc3cn[nH]c3c2)CC1 | 10.1021/jm500995y | ||
| CHEMBL3329752 | 114192 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 494 | 6 | 1 | 4 | 4.0 | CCN(Cc1cccc(C(F)(F)F)c1)C(=O)C1CCN(S(=O)(=O)c2ccc3cn[nH]c3c2)CC1 | 10.1021/jm500995y | ||
| 45281807 | 199991 | 0 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 351 | 4 | 0 | 4 | 3.3 | COc1ccc(CN2C(=O)C(=O)c3ccc(OC(F)(F)F)cc32)cc1 | 10.1016/j.bmcl.2009.11.089 | ||
| CHEMBL595404 | 199991 | 0 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 351 | 4 | 0 | 4 | 3.3 | COc1ccc(CN2C(=O)C(=O)c3ccc(OC(F)(F)F)cc32)cc1 | 10.1016/j.bmcl.2009.11.089 | ||
| 52940924 | 17109 | 0 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 415 | 4 | 0 | 3 | 5.1 | O=C1C(=O)N(Cc2ccc(-c3ccccc3)cc2F)c2ccc(OC(F)(F)F)cc21 | 10.1016/j.bmcl.2010.08.042 | ||
| CHEMBL1255607 | 17109 | 0 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 415 | 4 | 0 | 3 | 5.1 | O=C1C(=O)N(Cc2ccc(-c3ccccc3)cc2F)c2ccc(OC(F)(F)F)cc21 | 10.1016/j.bmcl.2010.08.042 | ||
| 71737672 | 2559 | 19 | None | 1 | 6 | Rat | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 494 | 6 | 1 | 4 | 4.0 | CCN(C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2c(c1)cn[nH]2)Cc1ccccc1C(F)(F)F | 10.1021/jm500995y | ||
| 8687 | 2559 | 19 | None | 1 | 6 | Rat | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 494 | 6 | 1 | 4 | 4.0 | CCN(C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2c(c1)cn[nH]2)Cc1ccccc1C(F)(F)F | 10.1021/jm500995y | ||
| CHEMBL3329755 | 2559 | 19 | None | 1 | 6 | Rat | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 494 | 6 | 1 | 4 | 4.0 | CCN(C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2c(c1)cn[nH]2)Cc1ccccc1C(F)(F)F | 10.1021/jm500995y | ||
| 26415263 | 114169 | 3 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 386 | 6 | 0 | 3 | 3.1 | CCN(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 | 10.1021/jm500995y | ||
| CHEMBL3329715 | 114169 | 3 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 386 | 6 | 0 | 3 | 3.1 | CCN(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 | 10.1021/jm500995y | ||
| 26415263 | 114169 | 3 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 386 | 6 | 0 | 3 | 3.1 | CCN(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 | 10.1021/jm500995y | ||
| CHEMBL3329715 | 114169 | 3 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 386 | 6 | 0 | 3 | 3.1 | CCN(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 | 10.1021/jm500995y | ||
| 187 | 255 | 39 | None | -1 | 8 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/jm0102405 | ||
| 294 | 255 | 39 | None | -1 | 8 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/jm0102405 | ||
| 65 | 255 | 39 | None | -1 | 8 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/jm0102405 | ||
| 8593 | 255 | 39 | None | -1 | 8 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/jm0102405 | ||
| CHEMBL667 | 255 | 39 | None | -1 | 8 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/jm0102405 | ||
| DB03128 | 255 | 39 | None | -1 | 8 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/jm0102405 | ||
| 44418764 | 82130 | 0 | None | -2 | 4 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 487 | 16 | 0 | 13 | 1.8 | COc1nsc(OCCOCCOCCOCCOc2nsnc2C2C=CCCN2C)n1 | 10.1021/jm0606995 | ||
| CHEMBL216928 | 82130 | 0 | None | -2 | 4 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 487 | 16 | 0 | 13 | 1.8 | COc1nsc(OCCOCCOCCOCCOc2nsnc2C2C=CCCN2C)n1 | 10.1021/jm0606995 | ||
| 71737675 | 114190 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 460 | 6 | 1 | 4 | 3.7 | CCN(Cc1ccccc1Cl)C(=O)C1CCN(S(=O)(=O)c2ccc3cn[nH]c3c2)CC1 | 10.1021/jm500995y | ||
| CHEMBL3329750 | 114190 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 460 | 6 | 1 | 4 | 3.7 | CCN(Cc1ccccc1Cl)C(=O)C1CCN(S(=O)(=O)c2ccc3cn[nH]c3c2)CC1 | 10.1021/jm500995y | ||
| 71737675 | 114190 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 460 | 6 | 1 | 4 | 3.7 | CCN(Cc1ccccc1Cl)C(=O)C1CCN(S(=O)(=O)c2ccc3cn[nH]c3c2)CC1 | 10.1021/jm500995y | ||
| CHEMBL3329750 | 114190 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 460 | 6 | 1 | 4 | 3.7 | CCN(Cc1ccccc1Cl)C(=O)C1CCN(S(=O)(=O)c2ccc3cn[nH]c3c2)CC1 | 10.1021/jm500995y | ||
| 650899 | 54384 | 11 | None | -23 | 5 | Human | 4.2 | pEC50 | = | 4.2 | Functional | ChEMBL | 319 | 6 | 2 | 4 | 1.6 | CCOC(=O)N1CCC(NCCNC(=O)c2ccccc2)CC1 | nan | ||
| CHEMBL1535797 | 54384 | 11 | None | -23 | 5 | Human | 4.2 | pEC50 | = | 4.2 | Functional | ChEMBL | 319 | 6 | 2 | 4 | 1.6 | CCOC(=O)N1CCC(NCCNC(=O)c2ccccc2)CC1 | nan | ||
| CHEMBL1609153 | 54384 | 11 | None | -23 | 5 | Human | 4.2 | pEC50 | = | 4.2 | Functional | ChEMBL | 319 | 6 | 2 | 4 | 1.6 | CCOC(=O)N1CCC(NCCNC(=O)c2ccccc2)CC1 | nan | ||
| 11056389 | 189364 | 0 | None | 1 | 2 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 323 | 2 | 0 | 2 | 3.6 | O=C1C(=O)N(Cc2ccc(C(F)(F)F)cc2)c2ccc(F)cc21 | 10.1021/jm900286j | ||
| CHEMBL512977 | 189364 | 0 | None | 1 | 2 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 323 | 2 | 0 | 2 | 3.6 | O=C1C(=O)N(Cc2ccc(C(F)(F)F)cc2)c2ccc(F)cc21 | 10.1021/jm900286j | ||
| 44158005 | 189401 | 0 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 335 | 3 | 0 | 3 | 3.7 | COc1cccc(CN2C(=O)C(=O)c3c(Cl)ccc(Cl)c32)c1 | 10.1021/jm900286j | ||
| CHEMBL513311 | 189401 | 0 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 335 | 3 | 0 | 3 | 3.7 | COc1cccc(CN2C(=O)C(=O)c3c(Cl)ccc(Cl)c32)c1 | 10.1021/jm900286j | ||
| 71737624 | 114180 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 440 | 6 | 0 | 3 | 4.2 | CCN(C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)[C@H](C)c1ccccc1 | 10.1021/jm500995y | ||
| CHEMBL3329739 | 114180 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 440 | 6 | 0 | 3 | 4.2 | CCN(C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)[C@H](C)c1ccccc1 | 10.1021/jm500995y | ||
| 71737624 | 114180 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 440 | 6 | 0 | 3 | 4.2 | CCN(C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)[C@H](C)c1ccccc1 | 10.1021/jm500995y | ||
| CHEMBL3329739 | 114180 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 440 | 6 | 0 | 3 | 4.2 | CCN(C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)[C@H](C)c1ccccc1 | 10.1021/jm500995y | ||
| 71737617 | 114182 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 440 | 6 | 1 | 4 | 3.6 | CCN(C(=O)C1CCN(S(=O)(=O)c2ccc3[nH]ncc3c2)CC1)[C@H](C)c1ccccc1 | 10.1021/jm500995y | ||
| CHEMBL3329741 | 114182 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 440 | 6 | 1 | 4 | 3.6 | CCN(C(=O)C1CCN(S(=O)(=O)c2ccc3[nH]ncc3c2)CC1)[C@H](C)c1ccccc1 | 10.1021/jm500995y | ||
| 71737760 | 114176 | 0 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 430 | 6 | 0 | 5 | 2.9 | CCN(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCO3)CC1 | 10.1021/jm500995y | ||
| CHEMBL3329734 | 114176 | 0 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 430 | 6 | 0 | 5 | 2.9 | CCN(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCO3)CC1 | 10.1021/jm500995y | ||
| 71737617 | 114182 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 440 | 6 | 1 | 4 | 3.6 | CCN(C(=O)C1CCN(S(=O)(=O)c2ccc3[nH]ncc3c2)CC1)[C@H](C)c1ccccc1 | 10.1021/jm500995y | ||
| CHEMBL3329741 | 114182 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 440 | 6 | 1 | 4 | 3.6 | CCN(C(=O)C1CCN(S(=O)(=O)c2ccc3[nH]ncc3c2)CC1)[C@H](C)c1ccccc1 | 10.1021/jm500995y | ||
| 71737760 | 114176 | 0 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 430 | 6 | 0 | 5 | 2.9 | CCN(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCO3)CC1 | 10.1021/jm500995y | ||
| CHEMBL3329734 | 114176 | 0 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 430 | 6 | 0 | 5 | 2.9 | CCN(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCO3)CC1 | 10.1021/jm500995y | ||
| 71737763 | 114189 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 456 | 7 | 1 | 5 | 3.0 | CCN(Cc1ccccc1OC)C(=O)C1CCN(S(=O)(=O)c2ccc3cn[nH]c3c2)CC1 | 10.1021/jm500995y | ||
| CHEMBL3329749 | 114189 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 456 | 7 | 1 | 5 | 3.0 | CCN(Cc1ccccc1OC)C(=O)C1CCN(S(=O)(=O)c2ccc3cn[nH]c3c2)CC1 | 10.1021/jm500995y | ||
| 71737618 | 114181 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 440 | 6 | 1 | 4 | 3.6 | CCN(C(=O)C1CCN(S(=O)(=O)c2ccc3cn[nH]c3c2)CC1)[C@H](C)c1ccccc1 | 10.1021/jm500995y | ||
| CHEMBL3329740 | 114181 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 440 | 6 | 1 | 4 | 3.6 | CCN(C(=O)C1CCN(S(=O)(=O)c2ccc3cn[nH]c3c2)CC1)[C@H](C)c1ccccc1 | 10.1021/jm500995y | ||
| 71737763 | 114189 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 456 | 7 | 1 | 5 | 3.0 | CCN(Cc1ccccc1OC)C(=O)C1CCN(S(=O)(=O)c2ccc3cn[nH]c3c2)CC1 | 10.1021/jm500995y | ||
| CHEMBL3329749 | 114189 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 456 | 7 | 1 | 5 | 3.0 | CCN(Cc1ccccc1OC)C(=O)C1CCN(S(=O)(=O)c2ccc3cn[nH]c3c2)CC1 | 10.1021/jm500995y | ||
| 71737618 | 114181 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 440 | 6 | 1 | 4 | 3.6 | CCN(C(=O)C1CCN(S(=O)(=O)c2ccc3cn[nH]c3c2)CC1)[C@H](C)c1ccccc1 | 10.1021/jm500995y | ||
| CHEMBL3329740 | 114181 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 440 | 6 | 1 | 4 | 3.6 | CCN(C(=O)C1CCN(S(=O)(=O)c2ccc3cn[nH]c3c2)CC1)[C@H](C)c1ccccc1 | 10.1021/jm500995y | ||
| 16071018 | 16022 | 20 | None | -125 | 5 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 333 | 2 | 1 | 4 | 2.6 | Cc1cc2c(cc1F)[nH]c(=O)n2C1CCN(C2CCOCC2)CC1 | 10.1016/j.bmcl.2010.07.097 | ||
| CHEMBL1223753 | 16022 | 20 | None | -125 | 5 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 333 | 2 | 1 | 4 | 2.6 | Cc1cc2c(cc1F)[nH]c(=O)n2C1CCN(C2CCOCC2)CC1 | 10.1016/j.bmcl.2010.07.097 | ||
| 16071018 | 16022 | 20 | None | -125 | 5 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 333 | 2 | 1 | 4 | 2.6 | Cc1cc2c(cc1F)[nH]c(=O)n2C1CCN(C2CCOCC2)CC1 | 10.1021/ml100105x | ||
| CHEMBL1223753 | 16022 | 20 | None | -125 | 5 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 333 | 2 | 1 | 4 | 2.6 | Cc1cc2c(cc1F)[nH]c(=O)n2C1CCN(C2CCOCC2)CC1 | 10.1021/ml100105x | ||
| 71737681 | 114187 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 440 | 6 | 1 | 4 | 3.3 | CCN(Cc1cccc(C)c1)C(=O)C1CCN(S(=O)(=O)c2ccc3cn[nH]c3c2)CC1 | 10.1021/jm500995y | ||
| CHEMBL3329747 | 114187 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 440 | 6 | 1 | 4 | 3.3 | CCN(Cc1cccc(C)c1)C(=O)C1CCN(S(=O)(=O)c2ccc3cn[nH]c3c2)CC1 | 10.1021/jm500995y | ||
| 71737677 | 114188 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 440 | 6 | 1 | 4 | 3.3 | CCN(Cc1ccccc1C)C(=O)C1CCN(S(=O)(=O)c2ccc3cn[nH]c3c2)CC1 | 10.1021/jm500995y | ||
| CHEMBL3329748 | 114188 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 440 | 6 | 1 | 4 | 3.3 | CCN(Cc1ccccc1C)C(=O)C1CCN(S(=O)(=O)c2ccc3cn[nH]c3c2)CC1 | 10.1021/jm500995y | ||
| 71737681 | 114187 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 440 | 6 | 1 | 4 | 3.3 | CCN(Cc1cccc(C)c1)C(=O)C1CCN(S(=O)(=O)c2ccc3cn[nH]c3c2)CC1 | 10.1021/jm500995y | ||
| CHEMBL3329747 | 114187 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 440 | 6 | 1 | 4 | 3.3 | CCN(Cc1cccc(C)c1)C(=O)C1CCN(S(=O)(=O)c2ccc3cn[nH]c3c2)CC1 | 10.1021/jm500995y | ||
| 71737677 | 114188 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 440 | 6 | 1 | 4 | 3.3 | CCN(Cc1ccccc1C)C(=O)C1CCN(S(=O)(=O)c2ccc3cn[nH]c3c2)CC1 | 10.1021/jm500995y | ||
| CHEMBL3329748 | 114188 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 440 | 6 | 1 | 4 | 3.3 | CCN(Cc1ccccc1C)C(=O)C1CCN(S(=O)(=O)c2ccc3cn[nH]c3c2)CC1 | 10.1021/jm500995y | ||
| 647412 | 27288 | 9 | None | -6 | 4 | Human | 4.1 | pEC50 | = | 4.1 | Functional | ChEMBL | 325 | 6 | 2 | 5 | 1.7 | CCOC(=O)N1CCC(NCCNC(=O)c2cccs2)CC1 | nan | ||
| CHEMBL1367424 | 27288 | 9 | None | -6 | 4 | Human | 4.1 | pEC50 | = | 4.1 | Functional | ChEMBL | 325 | 6 | 2 | 5 | 1.7 | CCOC(=O)N1CCC(NCCNC(=O)c2cccs2)CC1 | nan | ||
| 2551 | 791 | 23 | None | -27 | 13 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0102405 | ||
| 298 | 791 | 23 | None | -27 | 13 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0102405 | ||
| 488 | 791 | 23 | None | -27 | 13 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0102405 | ||
| CHEMBL965 | 791 | 23 | None | -27 | 13 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0102405 | ||
| DB00411 | 791 | 23 | None | -27 | 13 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0102405 | ||
| 71737619 | 114178 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 440 | 6 | 0 | 4 | 4.4 | CCN(C(=O)C1CCN(S(=O)(=O)c2ccc3occc3c2)CC1)[C@H](C)c1ccccc1 | 10.1021/jm500995y | ||
| CHEMBL3329737 | 114178 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 440 | 6 | 0 | 4 | 4.4 | CCN(C(=O)C1CCN(S(=O)(=O)c2ccc3occc3c2)CC1)[C@H](C)c1ccccc1 | 10.1021/jm500995y | ||
| 71737619 | 114178 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 440 | 6 | 0 | 4 | 4.4 | CCN(C(=O)C1CCN(S(=O)(=O)c2ccc3occc3c2)CC1)[C@H](C)c1ccccc1 | 10.1021/jm500995y | ||
| CHEMBL3329737 | 114178 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 440 | 6 | 0 | 4 | 4.4 | CCN(C(=O)C1CCN(S(=O)(=O)c2ccc3occc3c2)CC1)[C@H](C)c1ccccc1 | 10.1021/jm500995y | ||
| 71737602 | 114177 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 430 | 7 | 0 | 4 | 3.7 | CCN(C(=O)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1)[C@H](C)c1ccccc1 | 10.1021/jm500995y | ||
| CHEMBL3329736 | 114177 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 430 | 7 | 0 | 4 | 3.7 | CCN(C(=O)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1)[C@H](C)c1ccccc1 | 10.1021/jm500995y | ||
| 71737602 | 114177 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 430 | 7 | 0 | 4 | 3.7 | CCN(C(=O)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1)[C@H](C)c1ccccc1 | 10.1021/jm500995y | ||
| CHEMBL3329736 | 114177 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 430 | 7 | 0 | 4 | 3.7 | CCN(C(=O)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1)[C@H](C)c1ccccc1 | 10.1021/jm500995y | ||
| 2551 | 791 | 23 | None | -27 | 13 | Human | 5.9 | pED50 | = | 5.9 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm960683m | ||
| 298 | 791 | 23 | None | -27 | 13 | Human | 5.9 | pED50 | = | 5.9 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm960683m | ||
| 488 | 791 | 23 | None | -27 | 13 | Human | 5.9 | pED50 | = | 5.9 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm960683m | ||
| CHEMBL965 | 791 | 23 | None | -27 | 13 | Human | 5.9 | pED50 | = | 5.9 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm960683m | ||
| DB00411 | 791 | 23 | None | -27 | 13 | Human | 5.9 | pED50 | = | 5.9 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm960683m | ||
| 5487543 | 205623 | 4 | None | -64 | 6 | Human | 5.2 | pED50 | = | 5.2 | Functional | ChEMBL | 270 | 3 | 0 | 4 | 1.8 | COc1cccc(C#CCO/N=C2\CN3CCC2C3)c1 | 10.1021/jm960683m | ||
| CHEMBL81878 | 205623 | 4 | None | -64 | 6 | Human | 5.2 | pED50 | = | 5.2 | Functional | ChEMBL | 270 | 3 | 0 | 4 | 1.8 | COc1cccc(C#CCO/N=C2\CN3CCC2C3)c1 | 10.1021/jm960683m | ||
| 9795428 | 96459 | 5 | None | -20 | 5 | Human | 6.1 | pED50 | = | 6.1 | Functional | ChEMBL | 270 | 3 | 0 | 4 | 1.8 | COc1cccc(C#CCO/N=C2\CN3CC[C@@H]2C3)c1 | 10.1021/jm960683m | ||
| CHEMBL262455 | 96459 | 5 | None | -20 | 5 | Human | 6.1 | pED50 | = | 6.1 | Functional | ChEMBL | 270 | 3 | 0 | 4 | 1.8 | COc1cccc(C#CCO/N=C2\CN3CC[C@@H]2C3)c1 | 10.1021/jm960683m | ||
| 168299773 | 192645 | 0 | None | 10 | 2 | Human | 8.0 | pIC50 | = | 8 | Functional | ChEMBL | 457 | 4 | 1 | 7 | 2.7 | Cn1ncc(S(=O)(=O)N2CC[C@H](C(=O)Nc3ccc4scnc4c3)[C@@H](F)C2)c1Cl | 10.1016/j.bmcl.2022.128988 | ||
| CHEMBL5218711 | 192645 | 0 | None | 10 | 2 | Human | 8.0 | pIC50 | = | 8 | Functional | ChEMBL | 457 | 4 | 1 | 7 | 2.7 | Cn1ncc(S(=O)(=O)N2CC[C@H](C(=O)Nc3ccc4scnc4c3)[C@@H](F)C2)c1Cl | 10.1016/j.bmcl.2022.128988 | ||
| 71607130 | 104653 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 424 | 2 | 0 | 2 | 4.4 | O=C(c1cc(F)cc(F)c1)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1 | 10.1021/jm4013246 | ||
| CHEMBL3105212 | 104653 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 424 | 2 | 0 | 2 | 4.4 | O=C(c1cc(F)cc(F)c1)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1 | 10.1021/jm4013246 | ||
| 118719486 | 115520 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 452 | 2 | 0 | 4 | 3.6 | O=C(c1cc(F)c(F)c(F)c1)N1CCN2C(=O)c3ccccc3C12c1ccc2c(c1)OCO2 | 10.1016/j.bmcl.2014.11.082 | ||
| CHEMBL3353274 | 115520 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 452 | 2 | 0 | 4 | 3.6 | O=C(c1cc(F)c(F)c(F)c1)N1CCN2C(=O)c3ccccc3C12c1ccc2c(c1)OCO2 | 10.1016/j.bmcl.2014.11.082 | ||
| 137638270 | 156853 | 0 | None | -8 | 5 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 434 | 4 | 0 | 8 | 2.2 | Cc1noc(C)c1S(=O)(=O)N1CCN(c2ccc(N3CCCC(C)(C)C3)nn2)CC1 | 10.1016/j.bmcl.2017.05.042 | ||
| CHEMBL4071900 | 156853 | 0 | None | -8 | 5 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 434 | 4 | 0 | 8 | 2.2 | Cc1noc(C)c1S(=O)(=O)N1CCN(c2ccc(N3CCCC(C)(C)C3)nn2)CC1 | 10.1016/j.bmcl.2017.05.042 | ||
| 71598521 | 2558 | 16 | None | 1 | 2 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 424 | 2 | 0 | 2 | 4.4 | Clc1ccc(cc1)[C@]12N(CCN1C(=O)c1c2cccc1)C(=O)c1ccc(c(c1)F)F | 10.1016/j.bmcl.2017.02.020 | ||
| 7631 | 2558 | 16 | None | 1 | 2 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 424 | 2 | 0 | 2 | 4.4 | Clc1ccc(cc1)[C@]12N(CCN1C(=O)c1c2cccc1)C(=O)c1ccc(c(c1)F)F | 10.1016/j.bmcl.2017.02.020 | ||
| CHEMBL3105228 | 2558 | 16 | None | 1 | 2 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 424 | 2 | 0 | 2 | 4.4 | Clc1ccc(cc1)[C@]12N(CCN1C(=O)c1c2cccc1)C(=O)c1ccc(c(c1)F)F | 10.1016/j.bmcl.2017.02.020 | ||
| 71607097 | 104648 | 0 | None | 1 | 2 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 390 | 2 | 0 | 2 | 3.8 | O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3C12c1ccccc1 | 10.1021/jm4013246 | ||
| CHEMBL3105208 | 104648 | 0 | None | 1 | 2 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 390 | 2 | 0 | 2 | 3.8 | O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3C12c1ccccc1 | 10.1021/jm4013246 | ||
| 162523027 | 192649 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 416 | 4 | 1 | 6 | 3.0 | Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc4scnc4c3)CC2)cn1 | 10.1016/j.bmcl.2022.128988 | ||
| CHEMBL5218928 | 192649 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 416 | 4 | 1 | 6 | 3.0 | Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc4scnc4c3)CC2)cn1 | 10.1016/j.bmcl.2022.128988 | ||
| 71607097 | 104648 | 0 | None | 1 | 2 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 390 | 2 | 0 | 2 | 3.8 | O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3C12c1ccccc1 | 10.1021/jm4013246 | ||
| CHEMBL3105208 | 104648 | 0 | None | 1 | 2 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 390 | 2 | 0 | 2 | 3.8 | O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3C12c1ccccc1 | 10.1021/jm4013246 | ||
| 162523004 | 192640 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 457 | 4 | 1 | 6 | 3.8 | CC1COc2ccc(S(=O)(=O)N3CCC(C(=O)Nc4ccc5scnc5c4)CC3)cc21 | 10.1016/j.bmcl.2022.128988 | ||
| CHEMBL5218597 | 192640 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 457 | 4 | 1 | 6 | 3.8 | CC1COc2ccc(S(=O)(=O)N3CCC(C(=O)Nc4ccc5scnc5c4)CC3)cc21 | 10.1016/j.bmcl.2022.128988 | ||
| 168295434 | 192325 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 409 | 5 | 0 | 7 | 2.4 | Cn1ccnc1SCC1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 | 10.1021/acs.jmedchem.2c00192 | ||
| CHEMBL5207053 | 192325 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 409 | 5 | 0 | 7 | 2.4 | Cn1ccnc1SCC1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 | 10.1021/acs.jmedchem.2c00192 | ||
| 168295434 | 192325 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 409 | 5 | 0 | 7 | 2.4 | Cn1ccnc1SCC1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 | 10.1021/acs.jmedchem.2c00192 | ||
| CHEMBL5207053 | 192325 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 409 | 5 | 0 | 7 | 2.4 | Cn1ccnc1SCC1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 | 10.1021/acs.jmedchem.2c00192 | ||
| 24882532 | 95088 | 0 | None | -2 | 4 | Rat | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 363 | 6 | 1 | 3 | 4.4 | CCN1CCN(c2ccc(NC(=O)CCC3CCCC3)cc2Cl)CC1 | 10.1016/j.bmcl.2007.12.051 | ||
| CHEMBL255523 | 95088 | 0 | None | -2 | 4 | Rat | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 363 | 6 | 1 | 3 | 4.4 | CCN1CCN(c2ccc(NC(=O)CCC3CCCC3)cc2Cl)CC1 | 10.1016/j.bmcl.2007.12.051 | ||
| 118719495 | 115528 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 456 | 4 | 0 | 5 | 4.0 | CC(C)Oc1ccc(C(=O)N2CCN3C(=O)c4ccccc4C23c2ccc3c(c2)OCO3)cc1 | 10.1016/j.bmcl.2014.11.082 | ||
| CHEMBL3353283 | 115528 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 456 | 4 | 0 | 5 | 4.0 | CC(C)Oc1ccc(C(=O)N2CCN3C(=O)c4ccccc4C23c2ccc3c(c2)OCO3)cc1 | 10.1016/j.bmcl.2014.11.082 | ||
| 71598549 | 104654 | 1 | None | -2 | 2 | Rat | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 424 | 2 | 0 | 2 | 4.4 | O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1 | 10.1021/jm4013246 | ||
| CHEMBL3105213 | 104654 | 1 | None | -2 | 2 | Rat | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 424 | 2 | 0 | 2 | 4.4 | O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1 | 10.1021/jm4013246 | ||
| 162523114 | 192686 | 0 | None | 2 | 3 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 443 | 4 | 1 | 6 | 3.3 | O=C(Nc1ccc2scnc2c1)C1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)CC1 | 10.1016/j.bmcl.2022.128988 | ||
| CHEMBL5219691 | 192686 | 0 | None | 2 | 3 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 443 | 4 | 1 | 6 | 3.3 | O=C(Nc1ccc2scnc2c1)C1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)CC1 | 10.1016/j.bmcl.2022.128988 | ||
| 71598521 | 2558 | 16 | None | 1 | 2 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 424 | 2 | 0 | 2 | 4.4 | Clc1ccc(cc1)[C@]12N(CCN1C(=O)c1c2cccc1)C(=O)c1ccc(c(c1)F)F | 10.1016/j.bmcl.2017.02.020 | ||
| 7631 | 2558 | 16 | None | 1 | 2 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 424 | 2 | 0 | 2 | 4.4 | Clc1ccc(cc1)[C@]12N(CCN1C(=O)c1c2cccc1)C(=O)c1ccc(c(c1)F)F | 10.1016/j.bmcl.2017.02.020 | ||
| CHEMBL3105228 | 2558 | 16 | None | 1 | 2 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 424 | 2 | 0 | 2 | 4.4 | Clc1ccc(cc1)[C@]12N(CCN1C(=O)c1c2cccc1)C(=O)c1ccc(c(c1)F)F | 10.1016/j.bmcl.2017.02.020 | ||
| 137654353 | 158992 | 0 | None | -3 | 6 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 436 | 4 | 0 | 5 | 4.3 | O=C(C1CCN(c2cc(Oc3ccc(F)cc3F)ncn2)CC1)N1Cc2ccccc2C1 | 10.1016/j.bmcl.2017.04.009 | ||
| CHEMBL4096589 | 158992 | 0 | None | -3 | 6 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 436 | 4 | 0 | 5 | 4.3 | O=C(C1CCN(c2cc(Oc3ccc(F)cc3F)ncn2)CC1)N1Cc2ccccc2C1 | 10.1016/j.bmcl.2017.04.009 | ||
| 168275716 | 190194 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 407 | 5 | 0 | 6 | 2.9 | Cn1ccnc1SCC1CCN(S(=O)(=O)c2ccc3c(c2)CCCO3)CC1 | 10.1021/acs.jmedchem.2c00192 | ||
| CHEMBL5174730 | 190194 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 407 | 5 | 0 | 6 | 2.9 | Cn1ccnc1SCC1CCN(S(=O)(=O)c2ccc3c(c2)CCCO3)CC1 | 10.1021/acs.jmedchem.2c00192 | ||
| 168275716 | 190194 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 407 | 5 | 0 | 6 | 2.9 | Cn1ccnc1SCC1CCN(S(=O)(=O)c2ccc3c(c2)CCCO3)CC1 | 10.1021/acs.jmedchem.2c00192 | ||
| CHEMBL5174730 | 190194 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 407 | 5 | 0 | 6 | 2.9 | Cn1ccnc1SCC1CCN(S(=O)(=O)c2ccc3c(c2)CCCO3)CC1 | 10.1021/acs.jmedchem.2c00192 | ||
| 134824563 | 156022 | 14 | None | 1 | 2 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 438 | 2 | 0 | 2 | 4.7 | Cc1cc([C@@]23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(F)c(F)c2)ccc1Cl | 10.1016/j.bmcl.2017.02.020 | ||
| CHEMBL4062497 | 156022 | 14 | None | 1 | 2 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 438 | 2 | 0 | 2 | 4.7 | Cc1cc([C@@]23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(F)c(F)c2)ccc1Cl | 10.1016/j.bmcl.2017.02.020 | ||
| 168273459 | 190079 | 0 | None | 23 | 2 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 407 | 6 | 0 | 6 | 3.0 | CCn1ccnc1SCC1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)CC1 | 10.1021/acs.jmedchem.2c00192 | ||
| CHEMBL5172903 | 190079 | 0 | None | 23 | 2 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 407 | 6 | 0 | 6 | 3.0 | CCn1ccnc1SCC1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)CC1 | 10.1021/acs.jmedchem.2c00192 | ||
| 168273459 | 190079 | 0 | None | 23 | 2 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 407 | 6 | 0 | 6 | 3.0 | CCn1ccnc1SCC1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)CC1 | 10.1021/acs.jmedchem.2c00192 | ||
| CHEMBL5172903 | 190079 | 0 | None | 23 | 2 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 407 | 6 | 0 | 6 | 3.0 | CCn1ccnc1SCC1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)CC1 | 10.1021/acs.jmedchem.2c00192 | ||
| 134824563 | 156022 | 14 | None | 1 | 2 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 438 | 2 | 0 | 2 | 4.7 | Cc1cc([C@@]23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(F)c(F)c2)ccc1Cl | 10.1021/acs.jmedchem.2c00192 | ||
| CHEMBL4062497 | 156022 | 14 | None | 1 | 2 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 438 | 2 | 0 | 2 | 4.7 | Cc1cc([C@@]23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(F)c(F)c2)ccc1Cl | 10.1021/acs.jmedchem.2c00192 | ||
| 134824563 | 156022 | 14 | None | 1 | 2 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 438 | 2 | 0 | 2 | 4.7 | Cc1cc([C@@]23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(F)c(F)c2)ccc1Cl | 10.1016/j.bmcl.2017.02.020 | ||
| CHEMBL4062497 | 156022 | 14 | None | 1 | 2 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 438 | 2 | 0 | 2 | 4.7 | Cc1cc([C@@]23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(F)c(F)c2)ccc1Cl | 10.1016/j.bmcl.2017.02.020 | ||
| 118719480 | 115514 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 434 | 3 | 0 | 3 | 4.1 | COc1ccc(C23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(F)c(F)c2)cc1C | 10.1016/j.bmcl.2014.11.082 | ||
| CHEMBL3353268 | 115514 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 434 | 3 | 0 | 3 | 4.1 | COc1ccc(C23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(F)c(F)c2)cc1C | 10.1016/j.bmcl.2014.11.082 | ||
| 168283348 | 190766 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 427 | 5 | 0 | 6 | 1.5 | Cn1ccnc1[S+]([O-])C[C@H]1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)C[C@@H]1F | 10.1021/acs.jmedchem.2c00192 | ||
| CHEMBL5183573 | 190766 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 427 | 5 | 0 | 6 | 1.5 | Cn1ccnc1[S+]([O-])C[C@H]1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)C[C@@H]1F | 10.1021/acs.jmedchem.2c00192 | ||
| 168283348 | 190766 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 427 | 5 | 0 | 6 | 1.5 | Cn1ccnc1[S+]([O-])C[C@H]1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)C[C@@H]1F | 10.1021/acs.jmedchem.2c00192 | ||
| CHEMBL5183573 | 190766 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 427 | 5 | 0 | 6 | 1.5 | Cn1ccnc1[S+]([O-])C[C@H]1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)C[C@@H]1F | 10.1021/acs.jmedchem.2c00192 | ||
| 164673826 | 192150 | 7 | None | -57 | 4 | Rat | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 411 | 5 | 0 | 6 | 2.5 | Cn1ccnc1SC[C@H]1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)C[C@@H]1F | 10.1021/acs.jmedchem.2c00192 | ||
| CHEMBL5204021 | 192150 | 7 | None | -57 | 4 | Rat | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 411 | 5 | 0 | 6 | 2.5 | Cn1ccnc1SC[C@H]1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)C[C@@H]1F | 10.1021/acs.jmedchem.2c00192 | ||
| 137658629 | 159347 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 473 | 4 | 0 | 3 | 4.8 | CN(c1ccc([C@@]23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(F)c(F)c2)cc1)C1CCC1 | 10.1016/j.bmcl.2017.02.020 | ||
| CHEMBL4100518 | 159347 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 473 | 4 | 0 | 3 | 4.8 | CN(c1ccc([C@@]23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(F)c(F)c2)cc1)C1CCC1 | 10.1016/j.bmcl.2017.02.020 | ||
| 71607117 | 104655 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 472 | 3 | 0 | 3 | 5.3 | O=C(c1ccc(SC(F)(F)F)cc1)N1CCN2C(=O)c3ccccc3C12c1ccc(F)cc1 | 10.1021/jm4013246 | ||
| CHEMBL3105215 | 104655 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 472 | 3 | 0 | 3 | 5.3 | O=C(c1ccc(SC(F)(F)F)cc1)N1CCN2C(=O)c3ccccc3C12c1ccc(F)cc1 | 10.1021/jm4013246 | ||
| 168298068 | 192634 | 0 | None | 23 | 2 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 440 | 4 | 1 | 7 | 3.0 | Cc1ncc(S(=O)(=O)N2CC[C@H](C(=O)Nc3ccc4scnc4c3)[C@@H](F)C2)s1 | 10.1016/j.bmcl.2022.128988 | ||
| CHEMBL5218449 | 192634 | 0 | None | 23 | 2 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 440 | 4 | 1 | 7 | 3.0 | Cc1ncc(S(=O)(=O)N2CC[C@H](C(=O)Nc3ccc4scnc4c3)[C@@H](F)C2)s1 | 10.1016/j.bmcl.2022.128988 | ||
| 3156646 | 8232 | 9 | None | -1 | 3 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 373 | 5 | 1 | 4 | 3.7 | CCN1CCN(c2ccc(NC(=O)c3ccccc3OC)cc2Cl)CC1 | 10.1016/j.bmcl.2010.02.041 | ||
| CHEMBL1092460 | 8232 | 9 | None | -1 | 3 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 373 | 5 | 1 | 4 | 3.7 | CCN1CCN(c2ccc(NC(=O)c3ccccc3OC)cc2Cl)CC1 | 10.1016/j.bmcl.2010.02.041 | ||
| 71607117 | 104655 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 472 | 3 | 0 | 3 | 5.3 | O=C(c1ccc(SC(F)(F)F)cc1)N1CCN2C(=O)c3ccccc3C12c1ccc(F)cc1 | 10.1021/jm4013246 | ||
| CHEMBL3105215 | 104655 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 472 | 3 | 0 | 3 | 5.3 | O=C(c1ccc(SC(F)(F)F)cc1)N1CCN2C(=O)c3ccccc3C12c1ccc(F)cc1 | 10.1021/jm4013246 | ||
| 118719477 | 115511 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 434 | 2 | 0 | 4 | 3.5 | O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3C12c1ccc2c(c1)OCO2 | 10.1016/j.bmcl.2014.11.082 | ||
| CHEMBL3353265 | 115511 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 434 | 2 | 0 | 4 | 3.5 | O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3C12c1ccc2c(c1)OCO2 | 10.1016/j.bmcl.2014.11.082 | ||
| 118719483 | 115518 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 434 | 3 | 0 | 3 | 4.1 | COc1cc(C23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(F)c(F)c2)ccc1C | 10.1016/j.bmcl.2014.11.082 | ||
| CHEMBL3353271 | 115518 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 434 | 3 | 0 | 3 | 4.1 | COc1cc(C23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(F)c(F)c2)ccc1C | 10.1016/j.bmcl.2014.11.082 | ||
| 118719498 | 115531 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 456 | 5 | 0 | 4 | 4.6 | COc1ccc(C23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(OC(C)C)cc2)cc1C | 10.1016/j.bmcl.2014.11.082 | ||
| CHEMBL3353286 | 115531 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 456 | 5 | 0 | 4 | 4.6 | COc1ccc(C23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(OC(C)C)cc2)cc1C | 10.1016/j.bmcl.2014.11.082 | ||
| 118719499 | 115532 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 460 | 5 | 0 | 4 | 4.4 | COc1cc(C23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(OC(C)C)cc2)ccc1F | 10.1016/j.bmcl.2014.11.082 | ||
| CHEMBL3353287 | 115532 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 460 | 5 | 0 | 4 | 4.4 | COc1cc(C23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(OC(C)C)cc2)ccc1F | 10.1016/j.bmcl.2014.11.082 | ||
| 71737771 | 116456 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 420 | 3 | 0 | 3 | 3.8 | COc1ccc(C23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(F)c(F)c2)cc1 | 10.1016/j.bmcl.2014.11.082 | ||
| CHEMBL3361328 | 116456 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 420 | 3 | 0 | 3 | 3.8 | COc1ccc(C23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(F)c(F)c2)cc1 | 10.1016/j.bmcl.2014.11.082 | ||
| 44455159 | 97737 | 0 | None | -11 | 5 | Rat | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 383 | 5 | 1 | 3 | 4.2 | CCN1CCN(c2ccc(NC(=O)[C@H]3C[C@@H]3c3ccccc3)cc2Cl)CC1 | 10.1016/j.bmcl.2007.12.051 | ||
| CHEMBL271704 | 97737 | 0 | None | -11 | 5 | Rat | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 383 | 5 | 1 | 3 | 4.2 | CCN1CCN(c2ccc(NC(=O)[C@H]3C[C@@H]3c3ccccc3)cc2Cl)CC1 | 10.1016/j.bmcl.2007.12.051 | ||
| 71737771 | 116456 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 420 | 3 | 0 | 3 | 3.8 | COc1ccc(C23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(F)c(F)c2)cc1 | 10.1016/j.bmcl.2014.11.082 | ||
| CHEMBL3361328 | 116456 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 420 | 3 | 0 | 3 | 3.8 | COc1ccc(C23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(F)c(F)c2)cc1 | 10.1016/j.bmcl.2014.11.082 | ||
| 137658629 | 159347 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 473 | 4 | 0 | 3 | 4.8 | CN(c1ccc([C@@]23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(F)c(F)c2)cc1)C1CCC1 | 10.1016/j.bmcl.2017.02.020 | ||
| CHEMBL4100518 | 159347 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 473 | 4 | 0 | 3 | 4.8 | CN(c1ccc([C@@]23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(F)c(F)c2)cc1)C1CCC1 | 10.1016/j.bmcl.2017.02.020 | ||
| 162523094 | 192650 | 0 | None | -4 | 2 | Rat | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 419 | 4 | 1 | 7 | 2.4 | Cc1nn(C)cc1S(=O)(=O)N1CCC(C(=O)Nc2ccc3scnc3c2)CC1 | 10.1016/j.bmcl.2022.128988 | ||
| CHEMBL5218950 | 192650 | 0 | None | -4 | 2 | Rat | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 419 | 4 | 1 | 7 | 2.4 | Cc1nn(C)cc1S(=O)(=O)N1CCC(C(=O)Nc2ccc3scnc3c2)CC1 | 10.1016/j.bmcl.2022.128988 | ||
| 168298989 | 192725 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 457 | 4 | 1 | 6 | 3.7 | C[C@@H]1C[C@H](C(=O)Nc2ccc3scnc3c2)CCN1S(=O)(=O)c1ccc2c(c1)CCO2 | 10.1016/j.bmcl.2022.128988 | ||
| CHEMBL5220906 | 192725 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 457 | 4 | 1 | 6 | 3.7 | C[C@@H]1C[C@H](C(=O)Nc2ccc3scnc3c2)CCN1S(=O)(=O)c1ccc2c(c1)CCO2 | 10.1016/j.bmcl.2022.128988 | ||
| 71607066 | 104643 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 454 | 3 | 0 | 3 | 5.1 | O=C(c1ccc(SC(F)(F)F)cc1)N1CCN2C(=O)c3ccccc3C12c1ccccc1 | 10.1021/jm4013246 | ||
| CHEMBL3105203 | 104643 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 454 | 3 | 0 | 3 | 5.1 | O=C(c1ccc(SC(F)(F)F)cc1)N1CCN2C(=O)c3ccccc3C12c1ccccc1 | 10.1021/jm4013246 | ||
| 168272920 | 190077 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 402 | 5 | 0 | 6 | 3.2 | Cn1ccnc1SCC1CCN(S(=O)(=O)c2ccc3ncccc3c2)CC1 | 10.1021/acs.jmedchem.2c00192 | ||
| CHEMBL5172889 | 190077 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 402 | 5 | 0 | 6 | 3.2 | Cn1ccnc1SCC1CCN(S(=O)(=O)c2ccc3ncccc3c2)CC1 | 10.1021/acs.jmedchem.2c00192 | ||
| 71607066 | 104643 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 454 | 3 | 0 | 3 | 5.1 | O=C(c1ccc(SC(F)(F)F)cc1)N1CCN2C(=O)c3ccccc3C12c1ccccc1 | 10.1021/jm4013246 | ||
| CHEMBL3105203 | 104643 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 454 | 3 | 0 | 3 | 5.1 | O=C(c1ccc(SC(F)(F)F)cc1)N1CCN2C(=O)c3ccccc3C12c1ccccc1 | 10.1021/jm4013246 | ||
| 168272920 | 190077 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 402 | 5 | 0 | 6 | 3.2 | Cn1ccnc1SCC1CCN(S(=O)(=O)c2ccc3ncccc3c2)CC1 | 10.1021/acs.jmedchem.2c00192 | ||
| CHEMBL5172889 | 190077 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 402 | 5 | 0 | 6 | 3.2 | Cn1ccnc1SCC1CCN(S(=O)(=O)c2ccc3ncccc3c2)CC1 | 10.1021/acs.jmedchem.2c00192 | ||
| 118719488 | 115521 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 472 | 3 | 0 | 3 | 4.6 | COc1ccc(C23c4ccccc4C(=O)N2CCN3C(=O)c2cc(F)c(F)c(F)c2)cc1Cl | 10.1016/j.bmcl.2014.11.082 | ||
| CHEMBL3353276 | 115521 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 472 | 3 | 0 | 3 | 4.6 | COc1ccc(C23c4ccccc4C(=O)N2CCN3C(=O)c2cc(F)c(F)c(F)c2)cc1Cl | 10.1016/j.bmcl.2014.11.082 | ||
| 162523010 | 192644 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 444 | 4 | 1 | 7 | 2.7 | O=C(Nc1ccc2snnc2c1)C1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)CC1 | 10.1016/j.bmcl.2022.128988 | ||
| CHEMBL5218709 | 192644 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 444 | 4 | 1 | 7 | 2.7 | O=C(Nc1ccc2snnc2c1)C1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)CC1 | 10.1016/j.bmcl.2022.128988 | ||
| 137631491 | 156267 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 509 | 3 | 0 | 3 | 5.0 | O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3[C@@]12c1ccc(N2CCCC(F)(F)C2)cc1 | 10.1016/j.bmcl.2017.02.020 | ||
| CHEMBL4065335 | 156267 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 509 | 3 | 0 | 3 | 5.0 | O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3[C@@]12c1ccc(N2CCCC(F)(F)C2)cc1 | 10.1016/j.bmcl.2017.02.020 | ||
| 137641540 | 158088 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 541 | 3 | 0 | 3 | 5.7 | O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3[C@@]12c1ccc(N2CCCCC2C(F)(F)F)cc1 | 10.1016/j.bmcl.2017.02.020 | ||
| CHEMBL4086766 | 158088 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 541 | 3 | 0 | 3 | 5.7 | O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3[C@@]12c1ccc(N2CCCCC2C(F)(F)F)cc1 | 10.1016/j.bmcl.2017.02.020 | ||
| 137631491 | 156267 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 509 | 3 | 0 | 3 | 5.0 | O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3[C@@]12c1ccc(N2CCCC(F)(F)C2)cc1 | 10.1016/j.bmcl.2017.02.020 | ||
| CHEMBL4065335 | 156267 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 509 | 3 | 0 | 3 | 5.0 | O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3[C@@]12c1ccc(N2CCCC(F)(F)C2)cc1 | 10.1016/j.bmcl.2017.02.020 | ||
| 168297098 | 192484 | 0 | None | 9 | 2 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 407 | 5 | 0 | 6 | 2.9 | CC(Sc1nccn1C)C1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)CC1 | 10.1021/acs.jmedchem.2c00192 | ||
| CHEMBL5209198 | 192484 | 0 | None | 9 | 2 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 407 | 5 | 0 | 6 | 2.9 | CC(Sc1nccn1C)C1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)CC1 | 10.1021/acs.jmedchem.2c00192 | ||
| 168297098 | 192484 | 0 | None | 9 | 2 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 407 | 5 | 0 | 6 | 2.9 | CC(Sc1nccn1C)C1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)CC1 | 10.1021/acs.jmedchem.2c00192 | ||
| CHEMBL5209198 | 192484 | 0 | None | 9 | 2 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 407 | 5 | 0 | 6 | 2.9 | CC(Sc1nccn1C)C1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)CC1 | 10.1021/acs.jmedchem.2c00192 | ||
| 168298923 | 192665 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 457 | 4 | 1 | 6 | 3.5 | C[C@H]1CN(S(=O)(=O)c2ccc3c(c2)CCO3)CC[C@@H]1C(=O)Nc1ccc2scnc2c1 | 10.1016/j.bmcl.2022.128988 | ||
| CHEMBL5219222 | 192665 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 457 | 4 | 1 | 6 | 3.5 | C[C@H]1CN(S(=O)(=O)c2ccc3c(c2)CCO3)CC[C@@H]1C(=O)Nc1ccc2scnc2c1 | 10.1016/j.bmcl.2022.128988 | ||
| 118719491 | 115524 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 472 | 3 | 0 | 3 | 4.6 | COc1cc(C23c4ccccc4C(=O)N2CCN3C(=O)c2cc(F)c(F)c(F)c2)ccc1Cl | 10.1016/j.bmcl.2014.11.082 | ||
| CHEMBL3353279 | 115524 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 472 | 3 | 0 | 3 | 4.6 | COc1cc(C23c4ccccc4C(=O)N2CCN3C(=O)c2cc(F)c(F)c(F)c2)ccc1Cl | 10.1016/j.bmcl.2014.11.082 | ||
| 118724901 | 116455 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 420 | 3 | 0 | 3 | 3.8 | COc1cccc(C23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(F)c(F)c2)c1 | 10.1016/j.bmcl.2014.11.082 | ||
| CHEMBL3361327 | 116455 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 420 | 3 | 0 | 3 | 3.8 | COc1cccc(C23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(F)c(F)c2)c1 | 10.1016/j.bmcl.2014.11.082 | ||
| 134824563 | 156022 | 14 | None | -1 | 2 | Rat | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 438 | 2 | 0 | 2 | 4.7 | Cc1cc([C@@]23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(F)c(F)c2)ccc1Cl | 10.1016/j.bmcl.2017.02.020 | ||
| CHEMBL4062497 | 156022 | 14 | None | -1 | 2 | Rat | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 438 | 2 | 0 | 2 | 4.7 | Cc1cc([C@@]23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(F)c(F)c2)ccc1Cl | 10.1016/j.bmcl.2017.02.020 | ||
| 118724901 | 116455 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 420 | 3 | 0 | 3 | 3.8 | COc1cccc(C23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(F)c(F)c2)c1 | 10.1016/j.bmcl.2014.11.082 | ||
| CHEMBL3361327 | 116455 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 420 | 3 | 0 | 3 | 3.8 | COc1cccc(C23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(F)c(F)c2)c1 | 10.1016/j.bmcl.2014.11.082 | ||
| 134824563 | 156022 | 14 | None | -1 | 2 | Rat | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 438 | 2 | 0 | 2 | 4.7 | Cc1cc([C@@]23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(F)c(F)c2)ccc1Cl | 10.1016/j.bmcl.2017.02.020 | ||
| CHEMBL4062497 | 156022 | 14 | None | -1 | 2 | Rat | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 438 | 2 | 0 | 2 | 4.7 | Cc1cc([C@@]23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(F)c(F)c2)ccc1Cl | 10.1016/j.bmcl.2017.02.020 | ||
| 162523110 | 192680 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 436 | 4 | 1 | 6 | 3.4 | O=C(Nc1ccc2scnc2c1)C1CCN(S(=O)(=O)c2ccc(Cl)nc2)CC1 | 10.1016/j.bmcl.2022.128988 | ||
| CHEMBL5219539 | 192680 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 436 | 4 | 1 | 6 | 3.4 | O=C(Nc1ccc2scnc2c1)C1CCN(S(=O)(=O)c2ccc(Cl)nc2)CC1 | 10.1016/j.bmcl.2022.128988 | ||
| 137640100 | 156786 | 14 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 438 | 2 | 0 | 2 | 4.7 | Cc1cc(C23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(F)c(F)c2)ccc1Cl | 10.1016/j.bmcl.2017.02.020 | ||
| CHEMBL4071136 | 156786 | 14 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 438 | 2 | 0 | 2 | 4.7 | Cc1cc(C23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(F)c(F)c2)ccc1Cl | 10.1016/j.bmcl.2017.02.020 | ||
| 137640100 | 156786 | 14 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 438 | 2 | 0 | 2 | 4.7 | Cc1cc(C23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(F)c(F)c2)ccc1Cl | 10.1016/j.bmcl.2017.02.020 | ||
| CHEMBL4071136 | 156786 | 14 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 438 | 2 | 0 | 2 | 4.7 | Cc1cc(C23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(F)c(F)c2)ccc1Cl | 10.1016/j.bmcl.2017.02.020 | ||
| 59025917 | 116449 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 418 | 3 | 0 | 3 | 4.2 | COc1ccc(C(=O)N2CCN3C(=O)c4ccccc4C23c2ccc(Cl)cc2)cc1 | 10.1016/j.bmcl.2014.11.082 | ||
| CHEMBL3361317 | 116449 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 418 | 3 | 0 | 3 | 4.2 | COc1ccc(C(=O)N2CCN3C(=O)c4ccccc4C23c2ccc(Cl)cc2)cc1 | 10.1016/j.bmcl.2014.11.082 | ||
| 162523037 | 192662 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 437 | 4 | 1 | 5 | 3.2 | O=C(Nc1ccc2cccnc2c1)C1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)CC1 | 10.1016/j.bmcl.2022.128988 | ||
| CHEMBL5219142 | 192662 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 437 | 4 | 1 | 5 | 3.2 | O=C(Nc1ccc2cccnc2c1)C1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)CC1 | 10.1016/j.bmcl.2022.128988 | ||
| 137653721 | 158637 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 509 | 3 | 0 | 3 | 5.0 | O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3[C@@]12c1ccc(N2CCC(F)(F)CC2)cc1 | 10.1016/j.bmcl.2017.02.020 | ||
| CHEMBL4092786 | 158637 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 509 | 3 | 0 | 3 | 5.0 | O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3[C@@]12c1ccc(N2CCC(F)(F)CC2)cc1 | 10.1016/j.bmcl.2017.02.020 | ||
| 59025917 | 116449 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 418 | 3 | 0 | 3 | 4.2 | COc1ccc(C(=O)N2CCN3C(=O)c4ccccc4C23c2ccc(Cl)cc2)cc1 | 10.1016/j.bmcl.2014.11.082 | ||
| CHEMBL3361317 | 116449 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 418 | 3 | 0 | 3 | 4.2 | COc1ccc(C(=O)N2CCN3C(=O)c4ccccc4C23c2ccc(Cl)cc2)cc1 | 10.1016/j.bmcl.2014.11.082 | ||
| 137653721 | 158637 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 509 | 3 | 0 | 3 | 5.0 | O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3[C@@]12c1ccc(N2CCC(F)(F)CC2)cc1 | 10.1016/j.bmcl.2017.02.020 | ||
| CHEMBL4092786 | 158637 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 509 | 3 | 0 | 3 | 5.0 | O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3[C@@]12c1ccc(N2CCC(F)(F)CC2)cc1 | 10.1016/j.bmcl.2017.02.020 | ||
| 118719494 | 115527 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 470 | 6 | 0 | 4 | 5.1 | CC(C)Oc1ccc(C(=O)N2CCN3C(=O)c4ccccc4C23c2ccc(OC(C)C)cc2)cc1 | 10.1016/j.bmcl.2014.11.082 | ||
| CHEMBL3353282 | 115527 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 470 | 6 | 0 | 4 | 5.1 | CC(C)Oc1ccc(C(=O)N2CCN3C(=O)c4ccccc4C23c2ccc(OC(C)C)cc2)cc1 | 10.1016/j.bmcl.2014.11.082 | ||
| 71607129 | 104644 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 422 | 2 | 0 | 2 | 4.5 | O=C(c1ccc(C(F)(F)F)cc1)N1CCN2C(=O)c3ccccc3C12c1ccccc1 | 10.1021/jm4013246 | ||
| CHEMBL3105204 | 104644 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 422 | 2 | 0 | 2 | 4.5 | O=C(c1ccc(C(F)(F)F)cc1)N1CCN2C(=O)c3ccccc3C12c1ccccc1 | 10.1021/jm4013246 | ||
| 71607129 | 104644 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 422 | 2 | 0 | 2 | 4.5 | O=C(c1ccc(C(F)(F)F)cc1)N1CCN2C(=O)c3ccccc3C12c1ccccc1 | 10.1021/jm4013246 | ||
| CHEMBL3105204 | 104644 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 422 | 2 | 0 | 2 | 4.5 | O=C(c1ccc(C(F)(F)F)cc1)N1CCN2C(=O)c3ccccc3C12c1ccccc1 | 10.1021/jm4013246 | ||
| 59025979 | 104362 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 456 | 2 | 0 | 2 | 5.2 | O=C(c1ccc(C(F)(F)F)cc1)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1 | 10.1021/jm4013246 | ||
| CHEMBL3102882 | 104362 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 456 | 2 | 0 | 2 | 5.2 | O=C(c1ccc(C(F)(F)F)cc1)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1 | 10.1021/jm4013246 | ||
| 118719482 | 115517 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 454 | 3 | 0 | 3 | 4.4 | COc1cc(C23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(F)c(F)c2)ccc1Cl | 10.1016/j.bmcl.2014.11.082 | ||
| CHEMBL3353270 | 115517 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 454 | 3 | 0 | 3 | 4.4 | COc1cc(C23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(F)c(F)c2)ccc1Cl | 10.1016/j.bmcl.2014.11.082 | ||
| 59025979 | 104362 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 456 | 2 | 0 | 2 | 5.2 | O=C(c1ccc(C(F)(F)F)cc1)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1 | 10.1021/jm4013246 | ||
| CHEMBL3102882 | 104362 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 456 | 2 | 0 | 2 | 5.2 | O=C(c1ccc(C(F)(F)F)cc1)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1 | 10.1021/jm4013246 | ||
| 71607067 | 104656 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 440 | 2 | 0 | 2 | 4.7 | O=C(c1cccc(C(F)(F)F)c1)N1CCN2C(=O)c3ccccc3C12c1ccc(F)cc1 | 10.1021/jm4013246 | ||
| CHEMBL3105217 | 104656 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 440 | 2 | 0 | 2 | 4.7 | O=C(c1cccc(C(F)(F)F)c1)N1CCN2C(=O)c3ccccc3C12c1ccc(F)cc1 | 10.1021/jm4013246 | ||
| 71607067 | 104656 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 440 | 2 | 0 | 2 | 4.7 | O=C(c1cccc(C(F)(F)F)c1)N1CCN2C(=O)c3ccccc3C12c1ccc(F)cc1 | 10.1021/jm4013246 | ||
| CHEMBL3105217 | 104656 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 440 | 2 | 0 | 2 | 4.7 | O=C(c1cccc(C(F)(F)F)c1)N1CCN2C(=O)c3ccccc3C12c1ccc(F)cc1 | 10.1021/jm4013246 | ||
| 118724903 | 116457 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 396 | 2 | 0 | 2 | 4.3 | O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3C12C1CCCCC1 | 10.1016/j.bmcl.2014.11.082 | ||
| CHEMBL3361330 | 116457 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 396 | 2 | 0 | 2 | 4.3 | O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3C12C1CCCCC1 | 10.1016/j.bmcl.2014.11.082 | ||
| 71607097 | 104648 | 0 | None | -1 | 2 | Rat | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 390 | 2 | 0 | 2 | 3.8 | O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3C12c1ccccc1 | 10.1021/jm4013246 | ||
| CHEMBL3105208 | 104648 | 0 | None | -1 | 2 | Rat | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 390 | 2 | 0 | 2 | 3.8 | O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3C12c1ccccc1 | 10.1021/jm4013246 | ||
| 71800817 | 191340 | 10 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 426 | 5 | 0 | 7 | 3.4 | Cc1csc(SCC2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)n1 | 10.1021/acs.jmedchem.2c00192 | ||
| CHEMBL5192133 | 191340 | 10 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 426 | 5 | 0 | 7 | 3.4 | Cc1csc(SCC2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)n1 | 10.1021/acs.jmedchem.2c00192 | ||
| 118724903 | 116457 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 396 | 2 | 0 | 2 | 4.3 | O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3C12C1CCCCC1 | 10.1016/j.bmcl.2014.11.082 | ||
| CHEMBL3361330 | 116457 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 396 | 2 | 0 | 2 | 4.3 | O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3C12C1CCCCC1 | 10.1016/j.bmcl.2014.11.082 | ||
| 168270600 | 190014 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 378 | 5 | 0 | 5 | 3.1 | O=S(=O)(c1ccc2c(c1)CCO2)N1CCC(CCc2nccs2)CC1 | 10.1021/acs.jmedchem.2c00192 | ||
| CHEMBL5171868 | 190014 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 378 | 5 | 0 | 5 | 3.1 | O=S(=O)(c1ccc2c(c1)CCO2)N1CCC(CCc2nccs2)CC1 | 10.1021/acs.jmedchem.2c00192 | ||
| 168270600 | 190014 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 378 | 5 | 0 | 5 | 3.1 | O=S(=O)(c1ccc2c(c1)CCO2)N1CCC(CCc2nccs2)CC1 | 10.1021/acs.jmedchem.2c00192 | ||
| CHEMBL5171868 | 190014 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 378 | 5 | 0 | 5 | 3.1 | O=S(=O)(c1ccc2c(c1)CCO2)N1CCC(CCc2nccs2)CC1 | 10.1021/acs.jmedchem.2c00192 | ||
| 118719501 | 115534 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 456 | 5 | 0 | 4 | 4.6 | COc1cc(C23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(OC(C)C)cc2)ccc1C | 10.1016/j.bmcl.2014.11.082 | ||
| CHEMBL3353289 | 115534 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 456 | 5 | 0 | 4 | 4.6 | COc1cc(C23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(OC(C)C)cc2)ccc1C | 10.1016/j.bmcl.2014.11.082 | ||
| 168271588 | 190181 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 371 | 2 | 0 | 5 | 1.8 | Cn1ccnc1C#CC1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)CC1 | 10.1021/acs.jmedchem.2c00192 | ||
| CHEMBL5174465 | 190181 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 371 | 2 | 0 | 5 | 1.8 | Cn1ccnc1C#CC1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)CC1 | 10.1021/acs.jmedchem.2c00192 | ||
| 168285490 | 191632 | 0 | None | 9 | 2 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 407 | 5 | 0 | 6 | 2.9 | Cc1cn(C)c(SCC2CCN(S(=O)(=O)c3ccc4c(c3)CCO4)CC2)n1 | 10.1021/acs.jmedchem.2c00192 | ||
| CHEMBL5196183 | 191632 | 0 | None | 9 | 2 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 407 | 5 | 0 | 6 | 2.9 | Cc1cn(C)c(SCC2CCN(S(=O)(=O)c3ccc4c(c3)CCO4)CC2)n1 | 10.1021/acs.jmedchem.2c00192 | ||
| 168285490 | 191632 | 0 | None | 9 | 2 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 407 | 5 | 0 | 6 | 2.9 | Cc1cn(C)c(SCC2CCN(S(=O)(=O)c3ccc4c(c3)CCO4)CC2)n1 | 10.1021/acs.jmedchem.2c00192 | ||
| CHEMBL5196183 | 191632 | 0 | None | 9 | 2 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 407 | 5 | 0 | 6 | 2.9 | Cc1cn(C)c(SCC2CCN(S(=O)(=O)c3ccc4c(c3)CCO4)CC2)n1 | 10.1021/acs.jmedchem.2c00192 | ||
| 168271551 | 190150 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 392 | 5 | 0 | 6 | 3.5 | Cn1ccnc1SCC1CCC(S(=O)(=O)c2ccc3c(c2)CCO3)CC1 | 10.1021/acs.jmedchem.2c00192 | ||
| CHEMBL5174003 | 190150 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 392 | 5 | 0 | 6 | 3.5 | Cn1ccnc1SCC1CCC(S(=O)(=O)c2ccc3c(c2)CCO3)CC1 | 10.1021/acs.jmedchem.2c00192 | ||
| 168271551 | 190150 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 392 | 5 | 0 | 6 | 3.5 | Cn1ccnc1SCC1CCC(S(=O)(=O)c2ccc3c(c2)CCO3)CC1 | 10.1021/acs.jmedchem.2c00192 | ||
| CHEMBL5174003 | 190150 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 392 | 5 | 0 | 6 | 3.5 | Cn1ccnc1SCC1CCC(S(=O)(=O)c2ccc3c(c2)CCO3)CC1 | 10.1021/acs.jmedchem.2c00192 | ||
| 1090202 | 8459 | 11 | None | -2 | 3 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 377 | 4 | 1 | 3 | 4.4 | CCN1CCN(c2ccc(NC(=O)c3ccccc3Cl)cc2Cl)CC1 | 10.1016/j.bmcl.2010.02.041 | ||
| CHEMBL1094003 | 8459 | 11 | None | -2 | 3 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 377 | 4 | 1 | 3 | 4.4 | CCN1CCN(c2ccc(NC(=O)c3ccccc3Cl)cc2Cl)CC1 | 10.1016/j.bmcl.2010.02.041 | ||
| 59025695 | 104649 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 472 | 3 | 0 | 3 | 5.1 | O=C(c1ccc(OC(F)(F)F)cc1)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1 | 10.1021/jm4013246 | ||
| CHEMBL3105209 | 104649 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 472 | 3 | 0 | 3 | 5.1 | O=C(c1ccc(OC(F)(F)F)cc1)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1 | 10.1021/jm4013246 | ||
| 71607084 | 104659 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 404 | 2 | 0 | 2 | 4.1 | Cc1ccc(C23c4ccccc4C(=O)N2CCN3C(=O)c2cc(F)cc(F)c2)cc1 | 10.1021/jm4013246 | ||
| CHEMBL3105226 | 104659 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 404 | 2 | 0 | 2 | 4.1 | Cc1ccc(C23c4ccccc4C(=O)N2CCN3C(=O)c2cc(F)cc(F)c2)cc1 | 10.1021/jm4013246 | ||
| 59025695 | 104649 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 472 | 3 | 0 | 3 | 5.1 | O=C(c1ccc(OC(F)(F)F)cc1)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1 | 10.1021/jm4013246 | ||
| CHEMBL3105209 | 104649 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 472 | 3 | 0 | 3 | 5.1 | O=C(c1ccc(OC(F)(F)F)cc1)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1 | 10.1021/jm4013246 | ||
| 71607084 | 104659 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 404 | 2 | 0 | 2 | 4.1 | Cc1ccc(C23c4ccccc4C(=O)N2CCN3C(=O)c2cc(F)cc(F)c2)cc1 | 10.1021/jm4013246 | ||
| CHEMBL3105226 | 104659 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 404 | 2 | 0 | 2 | 4.1 | Cc1ccc(C23c4ccccc4C(=O)N2CCN3C(=O)c2cc(F)cc(F)c2)cc1 | 10.1021/jm4013246 | ||
| 168294490 | 192189 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 443 | 5 | 0 | 7 | 1.2 | Cn1ccnc1S(=O)(=O)C[C@H]1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)C[C@@H]1F | 10.1021/acs.jmedchem.2c00192 | ||
| CHEMBL5204724 | 192189 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 443 | 5 | 0 | 7 | 1.2 | Cn1ccnc1S(=O)(=O)C[C@H]1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)C[C@@H]1F | 10.1021/acs.jmedchem.2c00192 | ||
| 168294490 | 192189 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 443 | 5 | 0 | 7 | 1.2 | Cn1ccnc1S(=O)(=O)C[C@H]1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)C[C@@H]1F | 10.1021/acs.jmedchem.2c00192 | ||
| CHEMBL5204724 | 192189 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 443 | 5 | 0 | 7 | 1.2 | Cn1ccnc1S(=O)(=O)C[C@H]1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)C[C@@H]1F | 10.1021/acs.jmedchem.2c00192 | ||
| 118719485 | 115519 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 466 | 4 | 0 | 3 | 4.7 | CC(C)Oc1ccc(C23c4ccccc4C(=O)N2CCN3C(=O)c2cc(F)c(F)c(F)c2)cc1 | 10.1016/j.bmcl.2014.11.082 | ||
| CHEMBL3353273 | 115519 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 466 | 4 | 0 | 3 | 4.7 | CC(C)Oc1ccc(C23c4ccccc4C(=O)N2CCN3C(=O)c2cc(F)c(F)c(F)c2)cc1 | 10.1016/j.bmcl.2014.11.082 | ||
| 118724904 | 116458 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 382 | 2 | 0 | 2 | 3.9 | O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3C12C1CCCC1 | 10.1016/j.bmcl.2014.11.082 | ||
| CHEMBL3361331 | 116458 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 382 | 2 | 0 | 2 | 3.9 | O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3C12C1CCCC1 | 10.1016/j.bmcl.2014.11.082 | ||
| 118724904 | 116458 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 382 | 2 | 0 | 2 | 3.9 | O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3C12C1CCCC1 | 10.1016/j.bmcl.2014.11.082 | ||
| CHEMBL3361331 | 116458 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 382 | 2 | 0 | 2 | 3.9 | O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3C12C1CCCC1 | 10.1016/j.bmcl.2014.11.082 | ||
| 118719502 | 115535 | 0 | None | 2 | 2 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 452 | 3 | 0 | 3 | 4.2 | COc1ccc([C@@]23c4ccccc4C(=O)N2CCN3C(=O)c2cc(F)c(F)c(F)c2)cc1C | 10.1016/j.bmcl.2016.07.071 | ||
| CHEMBL3353290 | 115535 | 0 | None | 2 | 2 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 452 | 3 | 0 | 3 | 4.2 | COc1ccc([C@@]23c4ccccc4C(=O)N2CCN3C(=O)c2cc(F)c(F)c(F)c2)cc1C | 10.1016/j.bmcl.2016.07.071 | ||
| 162523114 | 192686 | 0 | None | -2 | 3 | Rat | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 443 | 4 | 1 | 6 | 3.3 | O=C(Nc1ccc2scnc2c1)C1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)CC1 | 10.1016/j.bmcl.2022.128988 | ||
| CHEMBL5219691 | 192686 | 0 | None | -2 | 3 | Rat | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 443 | 4 | 1 | 6 | 3.3 | O=C(Nc1ccc2scnc2c1)C1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)CC1 | 10.1016/j.bmcl.2022.128988 | ||
| 3724239 | 43309 | 13 | None | 4 | 2 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 402 | 2 | 0 | 2 | 4.5 | Cc1ccc(C(=O)N2CCN3C(=O)c4ccccc4C23c2ccc(Cl)cc2)cc1 | 10.1021/jm4013246 | ||
| CHEMBL1507034 | 43309 | 13 | None | 4 | 2 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 402 | 2 | 0 | 2 | 4.5 | Cc1ccc(C(=O)N2CCN3C(=O)c4ccccc4C23c2ccc(Cl)cc2)cc1 | 10.1021/jm4013246 | ||
| 71607096 | 104660 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 404 | 2 | 0 | 2 | 4.1 | Cc1ccc(C23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(F)c(F)c2)cc1 | 10.1021/jm4013246 | ||
| CHEMBL3105227 | 104660 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 404 | 2 | 0 | 2 | 4.1 | Cc1ccc(C23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(F)c(F)c2)cc1 | 10.1021/jm4013246 | ||
| 118719502 | 115535 | 0 | None | 2 | 2 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 452 | 3 | 0 | 3 | 4.2 | COc1ccc([C@@]23c4ccccc4C(=O)N2CCN3C(=O)c2cc(F)c(F)c(F)c2)cc1C | 10.1016/j.bmcl.2014.11.082 | ||
| CHEMBL3353290 | 115535 | 0 | None | 2 | 2 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 452 | 3 | 0 | 3 | 4.2 | COc1ccc([C@@]23c4ccccc4C(=O)N2CCN3C(=O)c2cc(F)c(F)c(F)c2)cc1C | 10.1016/j.bmcl.2014.11.082 | ||
| 3724239 | 43309 | 13 | None | 4 | 2 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 402 | 2 | 0 | 2 | 4.5 | Cc1ccc(C(=O)N2CCN3C(=O)c4ccccc4C23c2ccc(Cl)cc2)cc1 | 10.1021/jm4013246 | ||
| CHEMBL1507034 | 43309 | 13 | None | 4 | 2 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 402 | 2 | 0 | 2 | 4.5 | Cc1ccc(C(=O)N2CCN3C(=O)c4ccccc4C23c2ccc(Cl)cc2)cc1 | 10.1021/jm4013246 | ||
| 71607096 | 104660 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 404 | 2 | 0 | 2 | 4.1 | Cc1ccc(C23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(F)c(F)c2)cc1 | 10.1021/jm4013246 | ||
| CHEMBL3105227 | 104660 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 404 | 2 | 0 | 2 | 4.1 | Cc1ccc(C23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(F)c(F)c2)cc1 | 10.1021/jm4013246 | ||
| 118719502 | 115535 | 0 | None | 2 | 2 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 452 | 3 | 0 | 3 | 4.2 | COc1ccc([C@@]23c4ccccc4C(=O)N2CCN3C(=O)c2cc(F)c(F)c(F)c2)cc1C | 10.1016/j.bmcl.2014.11.082 | ||
| CHEMBL3353290 | 115535 | 0 | None | 2 | 2 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 452 | 3 | 0 | 3 | 4.2 | COc1ccc([C@@]23c4ccccc4C(=O)N2CCN3C(=O)c2cc(F)c(F)c(F)c2)cc1C | 10.1016/j.bmcl.2014.11.082 | ||
| 162522965 | 192642 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 458 | 4 | 1 | 7 | 3.9 | O=C(Nc1ccc2scnc2c1)C1CCN(S(=O)(=O)c2ccc3ncsc3c2)CC1 | 10.1016/j.bmcl.2022.128988 | ||
| CHEMBL5218629 | 192642 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 458 | 4 | 1 | 7 | 3.9 | O=C(Nc1ccc2scnc2c1)C1CCN(S(=O)(=O)c2ccc3ncsc3c2)CC1 | 10.1016/j.bmcl.2022.128988 | ||
| 168272850 | 190638 | 0 | None | 2 | 2 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 427 | 4 | 0 | 6 | 3.3 | Cn1ccnc1Sc1ccc2c(c1)CCN(S(=O)(=O)c1ccc3c(c1)CCO3)C2 | 10.1021/acs.jmedchem.2c00192 | ||
| CHEMBL5181618 | 190638 | 0 | None | 2 | 2 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 427 | 4 | 0 | 6 | 3.3 | Cn1ccnc1Sc1ccc2c(c1)CCN(S(=O)(=O)c1ccc3c(c1)CCO3)C2 | 10.1021/acs.jmedchem.2c00192 | ||
| 118719481 | 115515 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 438 | 3 | 0 | 3 | 3.9 | COc1cc(C23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(F)c(F)c2)ccc1F | 10.1016/j.bmcl.2014.11.082 | ||
| CHEMBL3353269 | 115515 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 438 | 3 | 0 | 3 | 3.9 | COc1cc(C23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(F)c(F)c2)ccc1F | 10.1016/j.bmcl.2014.11.082 | ||
| 168272850 | 190638 | 0 | None | 2 | 2 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 427 | 4 | 0 | 6 | 3.3 | Cn1ccnc1Sc1ccc2c(c1)CCN(S(=O)(=O)c1ccc3c(c1)CCO3)C2 | 10.1021/acs.jmedchem.2c00192 | ||
| CHEMBL5181618 | 190638 | 0 | None | 2 | 2 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 427 | 4 | 0 | 6 | 3.3 | Cn1ccnc1Sc1ccc2c(c1)CCN(S(=O)(=O)c1ccc3c(c1)CCO3)C2 | 10.1021/acs.jmedchem.2c00192 | ||
| 168271588 | 190181 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 371 | 2 | 0 | 5 | 1.8 | Cn1ccnc1C#CC1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)CC1 | 10.1021/acs.jmedchem.2c00192 | ||
| CHEMBL5174465 | 190181 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 371 | 2 | 0 | 5 | 1.8 | Cn1ccnc1C#CC1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)CC1 | 10.1021/acs.jmedchem.2c00192 | ||
| 16831319 | 192635 | 10 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 441 | 4 | 1 | 6 | 4.1 | O=C(Nc1ccc2scnc2c1)C1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 | 10.1016/j.bmcl.2022.128988 | ||
| CHEMBL5218505 | 192635 | 10 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 441 | 4 | 1 | 6 | 4.1 | O=C(Nc1ccc2scnc2c1)C1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 | 10.1016/j.bmcl.2022.128988 | ||
| 71598521 | 2558 | 16 | None | 1 | 2 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 424 | 2 | 0 | 2 | 4.4 | Clc1ccc(cc1)[C@]12N(CCN1C(=O)c1c2cccc1)C(=O)c1ccc(c(c1)F)F | 10.1016/j.bmcl.2016.07.071 | ||
| 7631 | 2558 | 16 | None | 1 | 2 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 424 | 2 | 0 | 2 | 4.4 | Clc1ccc(cc1)[C@]12N(CCN1C(=O)c1c2cccc1)C(=O)c1ccc(c(c1)F)F | 10.1016/j.bmcl.2016.07.071 | ||
| CHEMBL3105228 | 2558 | 16 | None | 1 | 2 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 424 | 2 | 0 | 2 | 4.4 | Clc1ccc(cc1)[C@]12N(CCN1C(=O)c1c2cccc1)C(=O)c1ccc(c(c1)F)F | 10.1016/j.bmcl.2016.07.071 | ||
| 71598521 | 2558 | 16 | None | 1 | 2 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 424 | 2 | 0 | 2 | 4.4 | Clc1ccc(cc1)[C@]12N(CCN1C(=O)c1c2cccc1)C(=O)c1ccc(c(c1)F)F | 10.1021/jm4013246 | ||
| 7631 | 2558 | 16 | None | 1 | 2 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 424 | 2 | 0 | 2 | 4.4 | Clc1ccc(cc1)[C@]12N(CCN1C(=O)c1c2cccc1)C(=O)c1ccc(c(c1)F)F | 10.1021/jm4013246 | ||
| CHEMBL3105228 | 2558 | 16 | None | 1 | 2 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 424 | 2 | 0 | 2 | 4.4 | Clc1ccc(cc1)[C@]12N(CCN1C(=O)c1c2cccc1)C(=O)c1ccc(c(c1)F)F | 10.1021/jm4013246 | ||
| 71607080 | 104651 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 488 | 3 | 0 | 3 | 5.8 | O=C(c1ccc(SC(F)(F)F)cc1)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1 | 10.1021/jm4013246 | ||
| CHEMBL3105210 | 104651 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 488 | 3 | 0 | 3 | 5.8 | O=C(c1ccc(SC(F)(F)F)cc1)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1 | 10.1021/jm4013246 | ||
| 137645753 | 157647 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 477 | 3 | 0 | 3 | 4.3 | O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3[C@@]12c1ccc(N2CC[C@@H](F)C2)cc1 | 10.1016/j.bmcl.2017.02.020 | ||
| CHEMBL4081565 | 157647 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 477 | 3 | 0 | 3 | 4.3 | O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3[C@@]12c1ccc(N2CC[C@@H](F)C2)cc1 | 10.1016/j.bmcl.2017.02.020 | ||
| 71607089 | 104645 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 422 | 2 | 0 | 2 | 4.5 | O=C(c1cccc(C(F)(F)F)c1)N1CCN2C(=O)c3ccccc3C12c1ccccc1 | 10.1021/jm4013246 | ||
| CHEMBL3105205 | 104645 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 422 | 2 | 0 | 2 | 4.5 | O=C(c1cccc(C(F)(F)F)c1)N1CCN2C(=O)c3ccccc3C12c1ccccc1 | 10.1021/jm4013246 | ||
| 71607080 | 104651 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 488 | 3 | 0 | 3 | 5.8 | O=C(c1ccc(SC(F)(F)F)cc1)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1 | 10.1021/jm4013246 | ||
| CHEMBL3105210 | 104651 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 488 | 3 | 0 | 3 | 5.8 | O=C(c1ccc(SC(F)(F)F)cc1)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1 | 10.1021/jm4013246 | ||
| 71607089 | 104645 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 422 | 2 | 0 | 2 | 4.5 | O=C(c1cccc(C(F)(F)F)c1)N1CCN2C(=O)c3ccccc3C12c1ccccc1 | 10.1021/jm4013246 | ||
| CHEMBL3105205 | 104645 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 422 | 2 | 0 | 2 | 4.5 | O=C(c1cccc(C(F)(F)F)c1)N1CCN2C(=O)c3ccccc3C12c1ccccc1 | 10.1021/jm4013246 | ||
| 162523094 | 192650 | 0 | None | 4 | 2 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 419 | 4 | 1 | 7 | 2.4 | Cc1nn(C)cc1S(=O)(=O)N1CCC(C(=O)Nc2ccc3scnc3c2)CC1 | 10.1016/j.bmcl.2022.128988 | ||
| CHEMBL5218950 | 192650 | 0 | None | 4 | 2 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 419 | 4 | 1 | 7 | 2.4 | Cc1nn(C)cc1S(=O)(=O)N1CCC(C(=O)Nc2ccc3scnc3c2)CC1 | 10.1016/j.bmcl.2022.128988 | ||
| 168298793 | 192643 | 0 | None | 1 | 2 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 437 | 4 | 1 | 7 | 2.3 | Cc1nn(C)cc1S(=O)(=O)N1CC[C@H](C(=O)Nc2ccc3scnc3c2)[C@@H](F)C1 | 10.1016/j.bmcl.2022.128988 | ||
| CHEMBL5218639 | 192643 | 0 | None | 1 | 2 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 437 | 4 | 1 | 7 | 2.3 | Cc1nn(C)cc1S(=O)(=O)N1CC[C@H](C(=O)Nc2ccc3scnc3c2)[C@@H](F)C1 | 10.1016/j.bmcl.2022.128988 | ||
| 137645753 | 157647 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 477 | 3 | 0 | 3 | 4.3 | O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3[C@@]12c1ccc(N2CC[C@@H](F)C2)cc1 | 10.1016/j.bmcl.2017.02.020 | ||
| CHEMBL4081565 | 157647 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 477 | 3 | 0 | 3 | 4.3 | O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3[C@@]12c1ccc(N2CC[C@@H](F)C2)cc1 | 10.1016/j.bmcl.2017.02.020 | ||
| 49731760 | 190758 | 10 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 443 | 4 | 0 | 7 | 3.9 | O=C(Cn1c(=O)oc2ccccc21)N1CCC(Oc2nc3c(Cl)cccc3s2)CC1 | 10.1021/acs.jmedchem.2c00192 | ||
| CHEMBL5183459 | 190758 | 10 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 443 | 4 | 0 | 7 | 3.9 | O=C(Cn1c(=O)oc2ccccc21)N1CCC(Oc2nc3c(Cl)cccc3s2)CC1 | 10.1021/acs.jmedchem.2c00192 | ||
| 118719496 | 115529 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 460 | 5 | 0 | 4 | 4.4 | COc1ccc(C23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(OC(C)C)cc2)cc1F | 10.1016/j.bmcl.2014.11.082 | ||
| CHEMBL3353284 | 115529 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 460 | 5 | 0 | 4 | 4.4 | COc1ccc(C23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(OC(C)C)cc2)cc1F | 10.1016/j.bmcl.2014.11.082 | ||
| 118724911 | 116459 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 434 | 4 | 0 | 3 | 4.2 | CCOc1ccc(C23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(F)c(F)c2)cc1 | 10.1016/j.bmcl.2014.11.082 | ||
| CHEMBL3361338 | 116459 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 434 | 4 | 0 | 3 | 4.2 | CCOc1ccc(C23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(F)c(F)c2)cc1 | 10.1016/j.bmcl.2014.11.082 | ||
| 168291835 | 191841 | 0 | None | -1 | 2 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 421 | 6 | 0 | 6 | 3.3 | CCC(Sc1nccn1C)C1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)CC1 | 10.1021/acs.jmedchem.2c00192 | ||
| CHEMBL5199408 | 191841 | 0 | None | -1 | 2 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 421 | 6 | 0 | 6 | 3.3 | CCC(Sc1nccn1C)C1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)CC1 | 10.1021/acs.jmedchem.2c00192 | ||
| 168291835 | 191841 | 0 | None | -1 | 2 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 421 | 6 | 0 | 6 | 3.3 | CCC(Sc1nccn1C)C1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)CC1 | 10.1021/acs.jmedchem.2c00192 | ||
| CHEMBL5199408 | 191841 | 0 | None | -1 | 2 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 421 | 6 | 0 | 6 | 3.3 | CCC(Sc1nccn1C)C1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)CC1 | 10.1021/acs.jmedchem.2c00192 | ||
| 118719478 | 115512 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 438 | 3 | 0 | 3 | 3.9 | COc1ccc(C23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(F)c(F)c2)cc1F | 10.1016/j.bmcl.2014.11.082 | ||
| CHEMBL3353266 | 115512 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 438 | 3 | 0 | 3 | 3.9 | COc1ccc(C23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(F)c(F)c2)cc1F | 10.1016/j.bmcl.2014.11.082 | ||
| 118719497 | 115530 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 476 | 5 | 0 | 4 | 4.9 | COc1ccc(C23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(OC(C)C)cc2)cc1Cl | 10.1016/j.bmcl.2014.11.082 | ||
| CHEMBL3353285 | 115530 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 476 | 5 | 0 | 4 | 4.9 | COc1ccc(C23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(OC(C)C)cc2)cc1Cl | 10.1016/j.bmcl.2014.11.082 | ||
| 137638421 | 156863 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 541 | 3 | 0 | 3 | 5.6 | O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3[C@@]12c1ccc(N2CCC(C(F)(F)F)CC2)cc1 | 10.1016/j.bmcl.2017.02.020 | ||
| CHEMBL4072027 | 156863 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 541 | 3 | 0 | 3 | 5.6 | O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3[C@@]12c1ccc(N2CCC(C(F)(F)F)CC2)cc1 | 10.1016/j.bmcl.2017.02.020 | ||
| 137638421 | 156863 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 541 | 3 | 0 | 3 | 5.6 | O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3[C@@]12c1ccc(N2CCC(C(F)(F)F)CC2)cc1 | 10.1016/j.bmcl.2017.02.020 | ||
| CHEMBL4072027 | 156863 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 541 | 3 | 0 | 3 | 5.6 | O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3[C@@]12c1ccc(N2CCC(C(F)(F)F)CC2)cc1 | 10.1016/j.bmcl.2017.02.020 | ||
| 137660071 | 159382 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 536 | 4 | 0 | 4 | 5.5 | O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3[C@@]12c1ccc(N2CCC[C@H]2c2cccnc2)cc1 | 10.1016/j.bmcl.2017.02.020 | ||
| CHEMBL4100810 | 159382 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 536 | 4 | 0 | 4 | 5.5 | O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3[C@@]12c1ccc(N2CCC[C@H]2c2cccnc2)cc1 | 10.1016/j.bmcl.2017.02.020 | ||
| 71607090 | 104657 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 452 | 3 | 0 | 3 | 4.7 | Cc1ccc(C23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(OC(F)(F)F)cc2)cc1 | 10.1021/jm4013246 | ||
| CHEMBL3105221 | 104657 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 452 | 3 | 0 | 3 | 4.7 | Cc1ccc(C23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(OC(F)(F)F)cc2)cc1 | 10.1021/jm4013246 | ||
| 5189681 | 37850 | 17 | None | 1 | 2 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 372 | 2 | 0 | 2 | 3.6 | O=C(c1ccc(F)cc1)N1CCN2C(=O)c3ccccc3C12c1ccccc1 | 10.1021/jm4013246 | ||
| CHEMBL1459098 | 37850 | 17 | None | 1 | 2 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 372 | 2 | 0 | 2 | 3.6 | O=C(c1ccc(F)cc1)N1CCN2C(=O)c3ccccc3C12c1ccccc1 | 10.1021/jm4013246 | ||
| 164673826 | 192150 | 7 | None | -16 | 4 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 411 | 5 | 0 | 6 | 2.5 | Cn1ccnc1SC[C@H]1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)C[C@@H]1F | 10.1021/acs.jmedchem.2c00192 | ||
| CHEMBL5204021 | 192150 | 7 | None | -16 | 4 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 411 | 5 | 0 | 6 | 2.5 | Cn1ccnc1SC[C@H]1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)C[C@@H]1F | 10.1021/acs.jmedchem.2c00192 | ||
| 1392038 | 8420 | 8 | None | -1 | 2 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 357 | 4 | 1 | 3 | 4.0 | CCN1CCN(c2ccc(NC(=O)c3cccc(C)c3)cc2Cl)CC1 | 10.1016/j.bmcl.2010.02.041 | ||
| CHEMBL1093775 | 8420 | 8 | None | -1 | 2 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 357 | 4 | 1 | 3 | 4.0 | CCN1CCN(c2ccc(NC(=O)c3cccc(C)c3)cc2Cl)CC1 | 10.1016/j.bmcl.2010.02.041 | ||
| 137660071 | 159382 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 536 | 4 | 0 | 4 | 5.5 | O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3[C@@]12c1ccc(N2CCC[C@H]2c2cccnc2)cc1 | 10.1016/j.bmcl.2017.02.020 | ||
| CHEMBL4100810 | 159382 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 536 | 4 | 0 | 4 | 5.5 | O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3[C@@]12c1ccc(N2CCC[C@H]2c2cccnc2)cc1 | 10.1016/j.bmcl.2017.02.020 | ||
| 71607090 | 104657 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 452 | 3 | 0 | 3 | 4.7 | Cc1ccc(C23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(OC(F)(F)F)cc2)cc1 | 10.1021/jm4013246 | ||
| CHEMBL3105221 | 104657 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 452 | 3 | 0 | 3 | 4.7 | Cc1ccc(C23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(OC(F)(F)F)cc2)cc1 | 10.1021/jm4013246 | ||
| 168278290 | 191102 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 407 | 5 | 0 | 6 | 2.9 | C[C@H]1C[C@@H](CSc2nccn2C)CCN1S(=O)(=O)c1ccc2c(c1)CCO2 | 10.1021/acs.jmedchem.2c00192 | ||
| CHEMBL5188042 | 191102 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 407 | 5 | 0 | 6 | 2.9 | C[C@H]1C[C@@H](CSc2nccn2C)CCN1S(=O)(=O)c1ccc2c(c1)CCO2 | 10.1021/acs.jmedchem.2c00192 | ||
| 168278290 | 191102 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 407 | 5 | 0 | 6 | 2.9 | C[C@H]1C[C@@H](CSc2nccn2C)CCN1S(=O)(=O)c1ccc2c(c1)CCO2 | 10.1021/acs.jmedchem.2c00192 | ||
| CHEMBL5188042 | 191102 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 407 | 5 | 0 | 6 | 2.9 | C[C@H]1C[C@@H](CSc2nccn2C)CCN1S(=O)(=O)c1ccc2c(c1)CCO2 | 10.1021/acs.jmedchem.2c00192 | ||
| 164673826 | 192150 | 7 | None | -16 | 4 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 411 | 5 | 0 | 6 | 2.5 | Cn1ccnc1SC[C@H]1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)C[C@@H]1F | 10.1021/acs.jmedchem.2c00192 | ||
| CHEMBL5204021 | 192150 | 7 | None | -16 | 4 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 411 | 5 | 0 | 6 | 2.5 | Cn1ccnc1SC[C@H]1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)C[C@@H]1F | 10.1021/acs.jmedchem.2c00192 | ||
| 164673826 | 192150 | 7 | None | -16 | 4 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 411 | 5 | 0 | 6 | 2.5 | Cn1ccnc1SC[C@H]1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)C[C@@H]1F | 10.1016/j.bmcl.2022.128988 | ||
| CHEMBL5204021 | 192150 | 7 | None | -16 | 4 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 411 | 5 | 0 | 6 | 2.5 | Cn1ccnc1SC[C@H]1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)C[C@@H]1F | 10.1016/j.bmcl.2022.128988 | ||
| 168283551 | 191087 | 0 | None | -2 | 2 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 395 | 3 | 0 | 5 | 2.8 | Cn1ccnc1-c1ccc2c(c1)CCN(S(=O)(=O)c1ccc3c(c1)CCO3)C2 | 10.1021/acs.jmedchem.2c00192 | ||
| CHEMBL5187886 | 191087 | 0 | None | -2 | 2 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 395 | 3 | 0 | 5 | 2.8 | Cn1ccnc1-c1ccc2c(c1)CCN(S(=O)(=O)c1ccc3c(c1)CCO3)C2 | 10.1021/acs.jmedchem.2c00192 | ||
| 168283551 | 191087 | 0 | None | -2 | 2 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 395 | 3 | 0 | 5 | 2.8 | Cn1ccnc1-c1ccc2c(c1)CCN(S(=O)(=O)c1ccc3c(c1)CCO3)C2 | 10.1021/acs.jmedchem.2c00192 | ||
| CHEMBL5187886 | 191087 | 0 | None | -2 | 2 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 395 | 3 | 0 | 5 | 2.8 | Cn1ccnc1-c1ccc2c(c1)CCN(S(=O)(=O)c1ccc3c(c1)CCO3)C2 | 10.1021/acs.jmedchem.2c00192 | ||
| 71607111 | 104647 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 390 | 2 | 0 | 2 | 3.8 | O=C(c1cc(F)cc(F)c1)N1CCN2C(=O)c3ccccc3C12c1ccccc1 | 10.1021/jm4013246 | ||
| CHEMBL3105207 | 104647 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 390 | 2 | 0 | 2 | 3.8 | O=C(c1cc(F)cc(F)c1)N1CCN2C(=O)c3ccccc3C12c1ccccc1 | 10.1021/jm4013246 | ||
| 71607111 | 104647 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 390 | 2 | 0 | 2 | 3.8 | O=C(c1cc(F)cc(F)c1)N1CCN2C(=O)c3ccccc3C12c1ccccc1 | 10.1021/jm4013246 | ||
| CHEMBL3105207 | 104647 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 390 | 2 | 0 | 2 | 3.8 | O=C(c1cc(F)cc(F)c1)N1CCN2C(=O)c3ccccc3C12c1ccccc1 | 10.1021/jm4013246 | ||
| 71806339 | 173985 | 10 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 331 | 2 | 0 | 6 | 1.3 | Cc1nn(C)c(C)c1S(=O)(=O)N1CCC2(CC1)OCCS2 | 10.1016/j.bmcl.2016.07.071 | ||
| CHEMBL4542697 | 173985 | 10 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 331 | 2 | 0 | 6 | 1.3 | Cc1nn(C)c(C)c1S(=O)(=O)N1CCC2(CC1)OCCS2 | 10.1016/j.bmcl.2016.07.071 | ||
| 168288097 | 191680 | 0 | None | 1 | 2 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 411 | 5 | 0 | 6 | 2.6 | Cn1ccnc1SCC1(F)CCN(S(=O)(=O)c2ccc3c(c2)CCO3)CC1 | 10.1021/acs.jmedchem.2c00192 | ||
| CHEMBL5196917 | 191680 | 0 | None | 1 | 2 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 411 | 5 | 0 | 6 | 2.6 | Cn1ccnc1SCC1(F)CCN(S(=O)(=O)c2ccc3c(c2)CCO3)CC1 | 10.1021/acs.jmedchem.2c00192 | ||
| 168288097 | 191680 | 0 | None | 1 | 2 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 411 | 5 | 0 | 6 | 2.6 | Cn1ccnc1SCC1(F)CCN(S(=O)(=O)c2ccc3c(c2)CCO3)CC1 | 10.1021/acs.jmedchem.2c00192 | ||
| CHEMBL5196917 | 191680 | 0 | None | 1 | 2 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 411 | 5 | 0 | 6 | 2.6 | Cn1ccnc1SCC1(F)CCN(S(=O)(=O)c2ccc3c(c2)CCO3)CC1 | 10.1021/acs.jmedchem.2c00192 | ||
| 10092649 | 193049 | 56 | None | -50 | 11 | Rat | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 404 | 4 | 1 | 4 | 3.9 | Cc1ccccc1CN1CCC(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1 | 10.1016/j.bmcl.2012.10.132 | ||
| CHEMBL522460 | 193049 | 56 | None | -50 | 11 | Rat | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 404 | 4 | 1 | 4 | 3.9 | Cc1ccccc1CN1CCC(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1 | 10.1016/j.bmcl.2012.10.132 | ||
| 137648229 | 157959 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 487 | 3 | 0 | 3 | 5.0 | CC1CCCN(c2ccc([C@@]34c5ccccc5C(=O)N3CCN4C(=O)c3ccc(F)c(F)c3)cc2)C1 | 10.1016/j.bmcl.2017.02.020 | ||
| CHEMBL4085038 | 157959 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 487 | 3 | 0 | 3 | 5.0 | CC1CCCN(c2ccc([C@@]34c5ccccc5C(=O)N3CCN4C(=O)c3ccc(F)c(F)c3)cc2)C1 | 10.1016/j.bmcl.2017.02.020 | ||
| 137648229 | 157959 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 487 | 3 | 0 | 3 | 5.0 | CC1CCCN(c2ccc([C@@]34c5ccccc5C(=O)N3CCN4C(=O)c3ccc(F)c(F)c3)cc2)C1 | 10.1016/j.bmcl.2017.02.020 | ||
| CHEMBL4085038 | 157959 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 487 | 3 | 0 | 3 | 5.0 | CC1CCCN(c2ccc([C@@]34c5ccccc5C(=O)N3CCN4C(=O)c3ccc(F)c(F)c3)cc2)C1 | 10.1016/j.bmcl.2017.02.020 | ||
| 71607051 | 104658 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 468 | 3 | 0 | 3 | 5.4 | Cc1ccc(C23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(SC(F)(F)F)cc2)cc1 | 10.1021/jm4013246 | ||
| CHEMBL3105222 | 104658 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 468 | 3 | 0 | 3 | 5.4 | Cc1ccc(C23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(SC(F)(F)F)cc2)cc1 | 10.1021/jm4013246 | ||
| 46883796 | 7861 | 0 | None | -1 | 4 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 411 | 4 | 1 | 3 | 4.8 | CCN1CCN(c2ccc(NC(=O)c3cccc(C(F)(F)F)c3)cc2Cl)CC1 | 10.1016/j.bmcl.2010.02.041 | ||
| CHEMBL1090096 | 7861 | 0 | None | -1 | 4 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 411 | 4 | 1 | 3 | 4.8 | CCN1CCN(c2ccc(NC(=O)c3cccc(C(F)(F)F)c3)cc2Cl)CC1 | 10.1016/j.bmcl.2010.02.041 | ||
| 46830362 | 7862 | 0 | None | -8 | 5 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 479 | 4 | 1 | 3 | 5.8 | CCN1CCN(c2ccc(NC(=O)c3cc(C(F)(F)F)ccc3C(F)(F)F)cc2Cl)CC1 | 10.1016/j.bmcl.2010.02.041 | ||
| CHEMBL1090097 | 7862 | 0 | None | -8 | 5 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 479 | 4 | 1 | 3 | 5.8 | CCN1CCN(c2ccc(NC(=O)c3cc(C(F)(F)F)ccc3C(F)(F)F)cc2Cl)CC1 | 10.1016/j.bmcl.2010.02.041 | ||
| 71607051 | 104658 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 468 | 3 | 0 | 3 | 5.4 | Cc1ccc(C23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(SC(F)(F)F)cc2)cc1 | 10.1021/jm4013246 | ||
| CHEMBL3105222 | 104658 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 468 | 3 | 0 | 3 | 5.4 | Cc1ccc(C23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(SC(F)(F)F)cc2)cc1 | 10.1021/jm4013246 | ||
| 118719493 | 115526 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 456 | 6 | 0 | 4 | 4.7 | CCOc1ccc(C23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(OC(C)C)cc2)cc1 | 10.1016/j.bmcl.2014.11.082 | ||
| CHEMBL3353281 | 115526 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 456 | 6 | 0 | 4 | 4.7 | CCOc1ccc(C23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(OC(C)C)cc2)cc1 | 10.1016/j.bmcl.2014.11.082 | ||
| 162523096 | 192701 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 457 | 4 | 1 | 6 | 3.5 | C[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)CCO3)CC[C@@H]1C(=O)Nc1ccc2scnc2c1 | 10.1016/j.bmcl.2022.128988 | ||
| CHEMBL5220200 | 192701 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 457 | 4 | 1 | 6 | 3.5 | C[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)CCO3)CC[C@@H]1C(=O)Nc1ccc2scnc2c1 | 10.1016/j.bmcl.2022.128988 | ||
| 137656435 | 159576 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 491 | 3 | 0 | 3 | 4.7 | O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3[C@@]12c1ccc(N2CCC(F)CC2)cc1 | 10.1016/j.bmcl.2017.02.020 | ||
| CHEMBL4103187 | 159576 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 491 | 3 | 0 | 3 | 4.7 | O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3[C@@]12c1ccc(N2CCC(F)CC2)cc1 | 10.1016/j.bmcl.2017.02.020 | ||
| 137656435 | 159576 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 491 | 3 | 0 | 3 | 4.7 | O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3[C@@]12c1ccc(N2CCC(F)CC2)cc1 | 10.1016/j.bmcl.2017.02.020 | ||
| CHEMBL4103187 | 159576 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 491 | 3 | 0 | 3 | 4.7 | O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3[C@@]12c1ccc(N2CCC(F)CC2)cc1 | 10.1016/j.bmcl.2017.02.020 | ||
| 137643771 | 158405 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 521 | 3 | 0 | 3 | 5.9 | CC1Cc2ccccc2N1c1ccc([C@@]23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(F)c(F)c2)cc1 | 10.1016/j.bmcl.2017.02.020 | ||
| CHEMBL4090346 | 158405 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 521 | 3 | 0 | 3 | 5.9 | CC1Cc2ccccc2N1c1ccc([C@@]23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(F)c(F)c2)cc1 | 10.1016/j.bmcl.2017.02.020 | ||
| 71607091 | 104642 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 438 | 3 | 0 | 3 | 4.4 | O=C(c1ccc(OC(F)(F)F)cc1)N1CCN2C(=O)c3ccccc3C12c1ccccc1 | 10.1021/jm4013246 | ||
| CHEMBL3105202 | 104642 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 438 | 3 | 0 | 3 | 4.4 | O=C(c1ccc(OC(F)(F)F)cc1)N1CCN2C(=O)c3ccccc3C12c1ccccc1 | 10.1021/jm4013246 | ||
| 71607091 | 104642 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 438 | 3 | 0 | 3 | 4.4 | O=C(c1ccc(OC(F)(F)F)cc1)N1CCN2C(=O)c3ccccc3C12c1ccccc1 | 10.1021/jm4013246 | ||
| CHEMBL3105202 | 104642 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 438 | 3 | 0 | 3 | 4.4 | O=C(c1ccc(OC(F)(F)F)cc1)N1CCN2C(=O)c3ccccc3C12c1ccccc1 | 10.1021/jm4013246 | ||
| 42519285 | 2560 | 15 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 379 | 7 | 0 | 6 | 3.7 | CN(C(=O)c1noc(c1)COc1cccc(c1)C(=O)C)[C@H](c1ccccn1)C | 10.1021/acs.jmedchem.2c00192 | ||
| 8591 | 2560 | 15 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 379 | 7 | 0 | 6 | 3.7 | CN(C(=O)c1noc(c1)COc1cccc(c1)C(=O)C)[C@H](c1ccccn1)C | 10.1021/acs.jmedchem.2c00192 | ||
| CHEMBL3185781 | 2560 | 15 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 379 | 7 | 0 | 6 | 3.7 | CN(C(=O)c1noc(c1)COc1cccc(c1)C(=O)C)[C@H](c1ccccn1)C | 10.1021/acs.jmedchem.2c00192 | ||
| 137643771 | 158405 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 521 | 3 | 0 | 3 | 5.9 | CC1Cc2ccccc2N1c1ccc([C@@]23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(F)c(F)c2)cc1 | 10.1016/j.bmcl.2017.02.020 | ||
| CHEMBL4090346 | 158405 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 521 | 3 | 0 | 3 | 5.9 | CC1Cc2ccccc2N1c1ccc([C@@]23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(F)c(F)c2)cc1 | 10.1016/j.bmcl.2017.02.020 | ||
| 71598549 | 104654 | 1 | None | 2 | 2 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 424 | 2 | 0 | 2 | 4.4 | O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1 | 10.1021/jm4013246 | ||
| CHEMBL3105213 | 104654 | 1 | None | 2 | 2 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 424 | 2 | 0 | 2 | 4.4 | O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1 | 10.1021/jm4013246 | ||
| 71598549 | 104654 | 1 | None | 2 | 2 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 424 | 2 | 0 | 2 | 4.4 | O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1 | 10.1016/j.bmcl.2014.11.082 | ||
| CHEMBL3105213 | 104654 | 1 | None | 2 | 2 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 424 | 2 | 0 | 2 | 4.4 | O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1 | 10.1016/j.bmcl.2014.11.082 | ||
| 71598549 | 104654 | 1 | None | 2 | 2 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 424 | 2 | 0 | 2 | 4.4 | O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1 | 10.1021/jm4013246 | ||
| CHEMBL3105213 | 104654 | 1 | None | 2 | 2 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 424 | 2 | 0 | 2 | 4.4 | O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1 | 10.1021/jm4013246 | ||
| 71598549 | 104654 | 1 | None | 2 | 2 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 424 | 2 | 0 | 2 | 4.4 | O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1 | 10.1016/j.bmcl.2014.11.082 | ||
| CHEMBL3105213 | 104654 | 1 | None | 2 | 2 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 424 | 2 | 0 | 2 | 4.4 | O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1 | 10.1016/j.bmcl.2014.11.082 | ||
| 10092649 | 193049 | 56 | None | -61 | 11 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 404 | 4 | 1 | 4 | 3.9 | Cc1ccccc1CN1CCC(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1 | 10.1016/j.bmcl.2012.10.132 | ||
| CHEMBL522460 | 193049 | 56 | None | -61 | 11 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 404 | 4 | 1 | 4 | 3.9 | Cc1ccccc1CN1CCC(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1 | 10.1016/j.bmcl.2012.10.132 | ||
| 71607137 | 104652 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 456 | 2 | 0 | 2 | 5.2 | O=C(c1cccc(C(F)(F)F)c1)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1 | 10.1021/jm4013246 | ||
| CHEMBL3105211 | 104652 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 456 | 2 | 0 | 2 | 5.2 | O=C(c1cccc(C(F)(F)F)c1)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1 | 10.1021/jm4013246 | ||
| 53303986 | 74311 | 0 | None | -32 | 3 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 345 | 6 | 2 | 4 | 2.2 | CCOC(=O)N1[C@H]2CC[C@@H]1C[C@H](NCCNC(=O)c1ccccc1)C2 | 10.1016/j.bmcl.2012.03.088 | ||
| CHEMBL2024407 | 74311 | 0 | None | -32 | 3 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 345 | 6 | 2 | 4 | 2.2 | CCOC(=O)N1[C@H]2CC[C@@H]1C[C@H](NCCNC(=O)c1ccccc1)C2 | 10.1016/j.bmcl.2012.03.088 | ||
| 10092649 | 193049 | 56 | None | -61 | 11 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 404 | 4 | 1 | 4 | 3.9 | Cc1ccccc1CN1CCC(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1 | 10.1016/j.bmcl.2012.10.132 | ||
| CHEMBL522460 | 193049 | 56 | None | -61 | 11 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 404 | 4 | 1 | 4 | 3.9 | Cc1ccccc1CN1CCC(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1 | 10.1016/j.bmcl.2012.10.132 | ||
| 71607137 | 104652 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 456 | 2 | 0 | 2 | 5.2 | O=C(c1cccc(C(F)(F)F)c1)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1 | 10.1021/jm4013246 | ||
| CHEMBL3105211 | 104652 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 456 | 2 | 0 | 2 | 5.2 | O=C(c1cccc(C(F)(F)F)c1)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1 | 10.1021/jm4013246 | ||
| 137637944 | 155791 | 0 | None | -5 | 5 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 450 | 4 | 0 | 5 | 4.3 | O=C(C1CCN(c2cc(Oc3ccc(F)cc3F)ncn2)CC1)N1CCc2ccccc2C1 | 10.1016/j.bmcl.2017.04.009 | ||
| CHEMBL4059829 | 155791 | 0 | None | -5 | 5 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 450 | 4 | 0 | 5 | 4.3 | O=C(C1CCN(c2cc(Oc3ccc(F)cc3F)ncn2)CC1)N1CCc2ccccc2C1 | 10.1016/j.bmcl.2017.04.009 | ||
| 118719489 | 115522 | 0 | None | 1 | 2 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 452 | 3 | 0 | 3 | 4.2 | COc1ccc(C23c4ccccc4C(=O)N2CCN3C(=O)c2cc(F)c(F)c(F)c2)cc1C | 10.1016/j.bmcl.2014.11.082 | ||
| CHEMBL3353277 | 115522 | 0 | None | 1 | 2 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 452 | 3 | 0 | 3 | 4.2 | COc1ccc(C23c4ccccc4C(=O)N2CCN3C(=O)c2cc(F)c(F)c(F)c2)cc1C | 10.1016/j.bmcl.2014.11.082 | ||
| 118719489 | 115522 | 0 | None | 1 | 2 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 452 | 3 | 0 | 3 | 4.2 | COc1ccc(C23c4ccccc4C(=O)N2CCN3C(=O)c2cc(F)c(F)c(F)c2)cc1C | 10.1016/j.bmcl.2014.11.082 | ||
| CHEMBL3353277 | 115522 | 0 | None | 1 | 2 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 452 | 3 | 0 | 3 | 4.2 | COc1ccc(C23c4ccccc4C(=O)N2CCN3C(=O)c2cc(F)c(F)c(F)c2)cc1C | 10.1016/j.bmcl.2014.11.082 | ||
| 118719502 | 115535 | 0 | None | -2 | 2 | Rat | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 452 | 3 | 0 | 3 | 4.2 | COc1ccc([C@@]23c4ccccc4C(=O)N2CCN3C(=O)c2cc(F)c(F)c(F)c2)cc1C | 10.1016/j.bmcl.2014.11.082 | ||
| CHEMBL3353290 | 115535 | 0 | None | -2 | 2 | Rat | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 452 | 3 | 0 | 3 | 4.2 | COc1ccc([C@@]23c4ccccc4C(=O)N2CCN3C(=O)c2cc(F)c(F)c(F)c2)cc1C | 10.1016/j.bmcl.2014.11.082 | ||
| 49665121 | 170439 | 11 | None | -5 | 3 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 384 | 4 | 0 | 8 | 3.4 | Fc1cc(F)cc(-c2nnc(Cc3nc(-c4ccc5c(c4)OCO5)no3)o2)c1 | 10.1016/j.bmcl.2016.07.071 | ||
| CHEMBL4448840 | 170439 | 11 | None | -5 | 3 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 384 | 4 | 0 | 8 | 3.4 | Fc1cc(F)cc(-c2nnc(Cc3nc(-c4ccc5c(c4)OCO5)no3)o2)c1 | 10.1016/j.bmcl.2016.07.071 | ||
| 168296572 | 192374 | 0 | None | 4 | 2 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 411 | 5 | 0 | 7 | 3.0 | Cc1nnc(SCC2CCN(S(=O)(=O)c3ccc4c(c3)CCO4)CC2)s1 | 10.1021/acs.jmedchem.2c00192 | ||
| CHEMBL5207808 | 192374 | 0 | None | 4 | 2 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 411 | 5 | 0 | 7 | 3.0 | Cc1nnc(SCC2CCN(S(=O)(=O)c3ccc4c(c3)CCO4)CC2)s1 | 10.1021/acs.jmedchem.2c00192 | ||
| 168296572 | 192374 | 0 | None | 4 | 2 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 411 | 5 | 0 | 7 | 3.0 | Cc1nnc(SCC2CCN(S(=O)(=O)c3ccc4c(c3)CCO4)CC2)s1 | 10.1021/acs.jmedchem.2c00192 | ||
| CHEMBL5207808 | 192374 | 0 | None | 4 | 2 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 411 | 5 | 0 | 7 | 3.0 | Cc1nnc(SCC2CCN(S(=O)(=O)c3ccc4c(c3)CCO4)CC2)s1 | 10.1021/acs.jmedchem.2c00192 | ||
| 71800908 | 191772 | 9 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 433 | 5 | 0 | 5 | 4.2 | Cc1cc(S(=O)(=O)N2CCC(CSc3nccn3C)CC2)c(Cl)cc1Cl | 10.1021/acs.jmedchem.2c00192 | ||
| CHEMBL5198257 | 191772 | 9 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 433 | 5 | 0 | 5 | 4.2 | Cc1cc(S(=O)(=O)N2CCC(CSc3nccn3C)CC2)c(Cl)cc1Cl | 10.1021/acs.jmedchem.2c00192 | ||
| 168271275 | 190496 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 408 | 5 | 0 | 7 | 3.2 | Cn1ccnc1SCC1CCN(S(=O)(=O)c2ccc3ncsc3c2)CC1 | 10.1021/acs.jmedchem.2c00192 | ||
| CHEMBL5179490 | 190496 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 408 | 5 | 0 | 7 | 3.2 | Cn1ccnc1SCC1CCN(S(=O)(=O)c2ccc3ncsc3c2)CC1 | 10.1021/acs.jmedchem.2c00192 | ||
| 168294879 | 192274 | 0 | None | -2 | 2 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 461 | 5 | 0 | 6 | 3.5 | Cn1ccnc1SC(C1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)CC1)C(F)(F)F | 10.1021/acs.jmedchem.2c00192 | ||
| CHEMBL5206112 | 192274 | 0 | None | -2 | 2 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 461 | 5 | 0 | 6 | 3.5 | Cn1ccnc1SC(C1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)CC1)C(F)(F)F | 10.1021/acs.jmedchem.2c00192 | ||
| 118719479 | 115513 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 454 | 3 | 0 | 3 | 4.4 | COc1ccc(C23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(F)c(F)c2)cc1Cl | 10.1016/j.bmcl.2014.11.082 | ||
| CHEMBL3353267 | 115513 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 454 | 3 | 0 | 3 | 4.4 | COc1ccc(C23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(F)c(F)c2)cc1Cl | 10.1016/j.bmcl.2014.11.082 | ||
| 118724900 | 116454 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 420 | 3 | 0 | 3 | 3.8 | COc1ccccc1C12c3ccccc3C(=O)N1CCN2C(=O)c1ccc(F)c(F)c1 | 10.1016/j.bmcl.2014.11.082 | ||
| CHEMBL3361326 | 116454 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 420 | 3 | 0 | 3 | 3.8 | COc1ccccc1C12c3ccccc3C(=O)N1CCN2C(=O)c1ccc(F)c(F)c1 | 10.1016/j.bmcl.2014.11.082 | ||
| 168294879 | 192274 | 0 | None | -2 | 2 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 461 | 5 | 0 | 6 | 3.5 | Cn1ccnc1SC(C1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)CC1)C(F)(F)F | 10.1021/acs.jmedchem.2c00192 | ||
| CHEMBL5206112 | 192274 | 0 | None | -2 | 2 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 461 | 5 | 0 | 6 | 3.5 | Cn1ccnc1SC(C1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)CC1)C(F)(F)F | 10.1021/acs.jmedchem.2c00192 | ||
| 168271275 | 190496 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 408 | 5 | 0 | 7 | 3.2 | Cn1ccnc1SCC1CCN(S(=O)(=O)c2ccc3ncsc3c2)CC1 | 10.1021/acs.jmedchem.2c00192 | ||
| CHEMBL5179490 | 190496 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 408 | 5 | 0 | 7 | 3.2 | Cn1ccnc1SCC1CCN(S(=O)(=O)c2ccc3ncsc3c2)CC1 | 10.1021/acs.jmedchem.2c00192 | ||
| 118724900 | 116454 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 420 | 3 | 0 | 3 | 3.8 | COc1ccccc1C12c3ccccc3C(=O)N1CCN2C(=O)c1ccc(F)c(F)c1 | 10.1016/j.bmcl.2014.11.082 | ||
| CHEMBL3361326 | 116454 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 420 | 3 | 0 | 3 | 3.8 | COc1ccccc1C12c3ccccc3C(=O)N1CCN2C(=O)c1ccc(F)c(F)c1 | 10.1016/j.bmcl.2014.11.082 | ||
| 5189681 | 37850 | 17 | None | -1 | 2 | Rat | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 372 | 2 | 0 | 2 | 3.6 | O=C(c1ccc(F)cc1)N1CCN2C(=O)c3ccccc3C12c1ccccc1 | 10.1021/jm4013246 | ||
| CHEMBL1459098 | 37850 | 17 | None | -1 | 2 | Rat | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 372 | 2 | 0 | 2 | 3.6 | O=C(c1ccc(F)cc1)N1CCN2C(=O)c3ccccc3C12c1ccccc1 | 10.1021/jm4013246 | ||
| 137641540 | 158088 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 541 | 3 | 0 | 3 | 5.7 | O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3[C@@]12c1ccc(N2CCCCC2C(F)(F)F)cc1 | 10.1016/j.bmcl.2017.02.020 | ||
| CHEMBL4086766 | 158088 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 541 | 3 | 0 | 3 | 5.7 | O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3[C@@]12c1ccc(N2CCCCC2C(F)(F)F)cc1 | 10.1016/j.bmcl.2017.02.020 | ||
| 168298793 | 192643 | 0 | None | -1 | 2 | Rat | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 437 | 4 | 1 | 7 | 2.3 | Cc1nn(C)cc1S(=O)(=O)N1CC[C@H](C(=O)Nc2ccc3scnc3c2)[C@@H](F)C1 | 10.1016/j.bmcl.2022.128988 | ||
| CHEMBL5218639 | 192643 | 0 | None | -1 | 2 | Rat | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 437 | 4 | 1 | 7 | 2.3 | Cc1nn(C)cc1S(=O)(=O)N1CC[C@H](C(=O)Nc2ccc3scnc3c2)[C@@H](F)C1 | 10.1016/j.bmcl.2022.128988 | ||
| 71607121 | 104646 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 422 | 2 | 0 | 2 | 4.8 | O=C(c1cc(Cl)cc(Cl)c1)N1CCN2C(=O)c3ccccc3C12c1ccccc1 | 10.1021/jm4013246 | ||
| CHEMBL3105206 | 104646 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 422 | 2 | 0 | 2 | 4.8 | O=C(c1cc(Cl)cc(Cl)c1)N1CCN2C(=O)c3ccccc3C12c1ccccc1 | 10.1021/jm4013246 | ||
| 71607121 | 104646 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 422 | 2 | 0 | 2 | 4.8 | O=C(c1cc(Cl)cc(Cl)c1)N1CCN2C(=O)c3ccccc3C12c1ccccc1 | 10.1021/jm4013246 | ||
| CHEMBL3105206 | 104646 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 422 | 2 | 0 | 2 | 4.8 | O=C(c1cc(Cl)cc(Cl)c1)N1CCN2C(=O)c3ccccc3C12c1ccccc1 | 10.1021/jm4013246 | ||
| 118724897 | 116453 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 407 | 2 | 0 | 3 | 3.7 | O=C(c1ccnc(F)c1)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1 | 10.1016/j.bmcl.2014.11.082 | ||
| CHEMBL3361323 | 116453 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 407 | 2 | 0 | 3 | 3.7 | O=C(c1ccnc(F)c1)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1 | 10.1016/j.bmcl.2014.11.082 | ||
| 118724897 | 116453 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 407 | 2 | 0 | 3 | 3.7 | O=C(c1ccnc(F)c1)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1 | 10.1016/j.bmcl.2014.11.082 | ||
| CHEMBL3361323 | 116453 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 407 | 2 | 0 | 3 | 3.7 | O=C(c1ccnc(F)c1)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1 | 10.1016/j.bmcl.2014.11.082 | ||
| 162522996 | 192664 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 402 | 4 | 1 | 6 | 2.7 | O=C(Nc1ccc2scnc2c1)C1CCN(S(=O)(=O)c2cccnc2)CC1 | 10.1016/j.bmcl.2022.128988 | ||
| CHEMBL5219163 | 192664 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 402 | 4 | 1 | 6 | 2.7 | O=C(Nc1ccc2scnc2c1)C1CCN(S(=O)(=O)c2cccnc2)CC1 | 10.1016/j.bmcl.2022.128988 | ||
| 162523075 | 192653 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 457 | 4 | 1 | 6 | 3.6 | Cc1nc2cc(NC(=O)C3CCN(S(=O)(=O)c4ccc5c(c4)CCO5)CC3)ccc2s1 | 10.1016/j.bmcl.2022.128988 | ||
| CHEMBL5219008 | 192653 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 457 | 4 | 1 | 6 | 3.6 | Cc1nc2cc(NC(=O)C3CCN(S(=O)(=O)c4ccc5c(c4)CCO5)CC3)ccc2s1 | 10.1016/j.bmcl.2022.128988 | ||
| 137632697 | 156508 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 473 | 3 | 0 | 3 | 4.8 | O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3[C@@]12c1ccc(N2CCCCC2)cc1 | 10.1016/j.bmcl.2017.02.020 | ||
| CHEMBL4068043 | 156508 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 473 | 3 | 0 | 3 | 4.8 | O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3[C@@]12c1ccc(N2CCCCC2)cc1 | 10.1016/j.bmcl.2017.02.020 | ||
| 137632697 | 156508 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 473 | 3 | 0 | 3 | 4.8 | O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3[C@@]12c1ccc(N2CCCCC2)cc1 | 10.1016/j.bmcl.2017.02.020 | ||
| CHEMBL4068043 | 156508 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 473 | 3 | 0 | 3 | 4.8 | O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3[C@@]12c1ccc(N2CCCCC2)cc1 | 10.1016/j.bmcl.2017.02.020 | ||
| 118724896 | 116452 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 442 | 2 | 0 | 2 | 4.6 | O=C(c1cc(F)c(F)c(F)c1)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1 | 10.1016/j.bmcl.2014.11.082 | ||
| CHEMBL3361320 | 116452 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 442 | 2 | 0 | 2 | 4.6 | O=C(c1cc(F)c(F)c(F)c1)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1 | 10.1016/j.bmcl.2014.11.082 | ||
| 118724896 | 116452 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 442 | 2 | 0 | 2 | 4.6 | O=C(c1cc(F)c(F)c(F)c1)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1 | 10.1016/j.bmcl.2014.11.082 | ||
| CHEMBL3361320 | 116452 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 442 | 2 | 0 | 2 | 4.6 | O=C(c1cc(F)c(F)c(F)c1)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1 | 10.1016/j.bmcl.2014.11.082 | ||
| 11584660 | 93239 | 8 | None | -3 | 5 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 537 | 7 | 0 | 8 | 5.6 | Cc1ccc2c(-c3nnc(SCCCN4CCc5ccc(-c6cc(C)nn6C)cc5CC4)n3C)cccc2n1 | 10.1021/jm0705612 | ||
| CHEMBL244946 | 93239 | 8 | None | -3 | 5 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 537 | 7 | 0 | 8 | 5.6 | Cc1ccc2c(-c3nnc(SCCCN4CCc5ccc(-c6cc(C)nn6C)cc5CC4)n3C)cccc2n1 | 10.1021/jm0705612 | ||
| 137650577 | 157417 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 491 | 3 | 0 | 3 | 4.7 | O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3[C@@]12c1ccc(N2CCCC(F)C2)cc1 | 10.1016/j.bmcl.2017.02.020 | ||
| CHEMBL4078908 | 157417 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 491 | 3 | 0 | 3 | 4.7 | O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3[C@@]12c1ccc(N2CCCC(F)C2)cc1 | 10.1016/j.bmcl.2017.02.020 | ||
| 137650577 | 157417 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 491 | 3 | 0 | 3 | 4.7 | O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3[C@@]12c1ccc(N2CCCC(F)C2)cc1 | 10.1016/j.bmcl.2017.02.020 | ||
| CHEMBL4078908 | 157417 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 491 | 3 | 0 | 3 | 4.7 | O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3[C@@]12c1ccc(N2CCCC(F)C2)cc1 | 10.1016/j.bmcl.2017.02.020 | ||
| 118719500 | 115533 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 476 | 5 | 0 | 4 | 4.9 | COc1cc(C23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(OC(C)C)cc2)ccc1Cl | 10.1016/j.bmcl.2014.11.082 | ||
| CHEMBL3353288 | 115533 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 476 | 5 | 0 | 4 | 4.9 | COc1cc(C23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(OC(C)C)cc2)ccc1Cl | 10.1016/j.bmcl.2014.11.082 | ||
| 52176747 | 159007 | 1 | None | -15 | 8 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 435 | 4 | 0 | 6 | 3.0 | C[C@H]1CCCCN1c1ccc(N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)nn1 | 10.1016/j.bmcl.2017.05.042 | ||
| CHEMBL4096727 | 159007 | 1 | None | -15 | 8 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 435 | 4 | 0 | 6 | 3.0 | C[C@H]1CCCCN1c1ccc(N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)nn1 | 10.1016/j.bmcl.2017.05.042 | ||
| 71806339 | 173985 | 10 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 331 | 2 | 0 | 6 | 1.3 | Cc1nn(C)c(C)c1S(=O)(=O)N1CCC2(CC1)OCCS2 | 10.1016/j.bmcl.2016.07.071 | ||
| CHEMBL4542697 | 173985 | 10 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 331 | 2 | 0 | 6 | 1.3 | Cc1nn(C)c(C)c1S(=O)(=O)N1CCC2(CC1)OCCS2 | 10.1016/j.bmcl.2016.07.071 | ||
| 3810205 | 116448 | 14 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 418 | 3 | 0 | 3 | 4.2 | COc1cccc(C(=O)N2CCN3C(=O)c4ccccc4C23c2ccc(Cl)cc2)c1 | 10.1016/j.bmcl.2014.11.082 | ||
| CHEMBL3361316 | 116448 | 14 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 418 | 3 | 0 | 3 | 4.2 | COc1cccc(C(=O)N2CCN3C(=O)c4ccccc4C23c2ccc(Cl)cc2)c1 | 10.1016/j.bmcl.2014.11.082 | ||
| 3810205 | 116448 | 14 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 418 | 3 | 0 | 3 | 4.2 | COc1cccc(C(=O)N2CCN3C(=O)c4ccccc4C23c2ccc(Cl)cc2)c1 | 10.1016/j.bmcl.2014.11.082 | ||
| CHEMBL3361316 | 116448 | 14 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 418 | 3 | 0 | 3 | 4.2 | COc1cccc(C(=O)N2CCN3C(=O)c4ccccc4C23c2ccc(Cl)cc2)c1 | 10.1016/j.bmcl.2014.11.082 | ||
| 137648371 | 157730 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 459 | 4 | 1 | 3 | 4.7 | O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3[C@@]12c1ccc(NC2CCC2)cc1 | 10.1016/j.bmcl.2017.02.020 | ||
| CHEMBL4082503 | 157730 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 459 | 4 | 1 | 3 | 4.7 | O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3[C@@]12c1ccc(NC2CCC2)cc1 | 10.1016/j.bmcl.2017.02.020 | ||
| 137648371 | 157730 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 459 | 4 | 1 | 3 | 4.7 | O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3[C@@]12c1ccc(NC2CCC2)cc1 | 10.1016/j.bmcl.2017.02.020 | ||
| CHEMBL4082503 | 157730 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 459 | 4 | 1 | 3 | 4.7 | O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3[C@@]12c1ccc(NC2CCC2)cc1 | 10.1016/j.bmcl.2017.02.020 | ||
| 137647734 | 157822 | 0 | None | -5 | 5 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 448 | 4 | 0 | 5 | 4.7 | O=C(C1CCN(c2cc(Oc3ccc(Cl)cc3)ncn2)CC1)N1CCc2ccccc2C1 | 10.1016/j.bmcl.2017.04.009 | ||
| CHEMBL4083681 | 157822 | 0 | None | -5 | 5 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 448 | 4 | 0 | 5 | 4.7 | O=C(C1CCN(c2cc(Oc3ccc(Cl)cc3)ncn2)CC1)N1CCc2ccccc2C1 | 10.1016/j.bmcl.2017.04.009 | ||
| 118719490 | 115523 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 456 | 3 | 0 | 3 | 4.1 | COc1cc(C23c4ccccc4C(=O)N2CCN3C(=O)c2cc(F)c(F)c(F)c2)ccc1F | 10.1016/j.bmcl.2014.11.082 | ||
| CHEMBL3353278 | 115523 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 456 | 3 | 0 | 3 | 4.1 | COc1cc(C23c4ccccc4C(=O)N2CCN3C(=O)c2cc(F)c(F)c(F)c2)ccc1F | 10.1016/j.bmcl.2014.11.082 | ||
| 168279436 | 191142 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 396 | 5 | 0 | 6 | 3.3 | O=S(=O)(c1ccc2c(c1)CCO2)N1CCC(CSc2nccs2)CC1 | 10.1021/acs.jmedchem.2c00192 | ||
| CHEMBL5188831 | 191142 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 396 | 5 | 0 | 6 | 3.3 | O=S(=O)(c1ccc2c(c1)CCO2)N1CCC(CSc2nccs2)CC1 | 10.1021/acs.jmedchem.2c00192 | ||
| 168279436 | 191142 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 396 | 5 | 0 | 6 | 3.3 | O=S(=O)(c1ccc2c(c1)CCO2)N1CCC(CSc2nccs2)CC1 | 10.1021/acs.jmedchem.2c00192 | ||
| CHEMBL5188831 | 191142 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 396 | 5 | 0 | 6 | 3.3 | O=S(=O)(c1ccc2c(c1)CCO2)N1CCC(CSc2nccs2)CC1 | 10.1021/acs.jmedchem.2c00192 | ||
| 137637123 | 156105 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 498 | 3 | 0 | 4 | 4.5 | N#CC1CCCN(c2ccc([C@@]34c5ccccc5C(=O)N3CCN4C(=O)c3ccc(F)c(F)c3)cc2)C1 | 10.1016/j.bmcl.2017.02.020 | ||
| CHEMBL4063401 | 156105 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 498 | 3 | 0 | 4 | 4.5 | N#CC1CCCN(c2ccc([C@@]34c5ccccc5C(=O)N3CCN4C(=O)c3ccc(F)c(F)c3)cc2)C1 | 10.1016/j.bmcl.2017.02.020 | ||
| 137637123 | 156105 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 498 | 3 | 0 | 4 | 4.5 | N#CC1CCCN(c2ccc([C@@]34c5ccccc5C(=O)N3CCN4C(=O)c3ccc(F)c(F)c3)cc2)C1 | 10.1016/j.bmcl.2017.02.020 | ||
| CHEMBL4063401 | 156105 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 498 | 3 | 0 | 4 | 4.5 | N#CC1CCCN(c2ccc([C@@]34c5ccccc5C(=O)N3CCN4C(=O)c3ccc(F)c(F)c3)cc2)C1 | 10.1016/j.bmcl.2017.02.020 | ||
| 137655063 | 158949 | 0 | None | -5 | 5 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 432 | 4 | 0 | 5 | 4.2 | O=C(C1CCN(c2cc(Oc3ccccc3F)ncn2)CC1)N1CCc2ccccc2C1 | 10.1016/j.bmcl.2017.04.009 | ||
| CHEMBL4096143 | 158949 | 0 | None | -5 | 5 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 432 | 4 | 0 | 5 | 4.2 | O=C(C1CCN(c2cc(Oc3ccccc3F)ncn2)CC1)N1CCc2ccccc2C1 | 10.1016/j.bmcl.2017.04.009 | ||
| 168286427 | 191804 | 0 | None | 1 | 2 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 421 | 5 | 0 | 6 | 3.2 | Cc1nc(SCC2CCN(S(=O)(=O)c3ccc4c(c3)CCO4)CC2)n(C)c1C | 10.1021/acs.jmedchem.2c00192 | ||
| CHEMBL5198797 | 191804 | 0 | None | 1 | 2 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 421 | 5 | 0 | 6 | 3.2 | Cc1nc(SCC2CCN(S(=O)(=O)c3ccc4c(c3)CCO4)CC2)n(C)c1C | 10.1021/acs.jmedchem.2c00192 | ||
| 168286427 | 191804 | 0 | None | 1 | 2 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 421 | 5 | 0 | 6 | 3.2 | Cc1nc(SCC2CCN(S(=O)(=O)c3ccc4c(c3)CCO4)CC2)n(C)c1C | 10.1021/acs.jmedchem.2c00192 | ||
| CHEMBL5198797 | 191804 | 0 | None | 1 | 2 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 421 | 5 | 0 | 6 | 3.2 | Cc1nc(SCC2CCN(S(=O)(=O)c3ccc4c(c3)CCO4)CC2)n(C)c1C | 10.1021/acs.jmedchem.2c00192 | ||
| 168292839 | 192081 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 395 | 5 | 0 | 7 | 2.3 | Cn1ccnc1SCC1CCN(S(=O)(=O)c2ccc3c(c2)OCO3)CC1 | 10.1021/acs.jmedchem.2c00192 | ||
| CHEMBL5203148 | 192081 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 395 | 5 | 0 | 7 | 2.3 | Cn1ccnc1SCC1CCN(S(=O)(=O)c2ccc3c(c2)OCO3)CC1 | 10.1021/acs.jmedchem.2c00192 | ||
| 168292839 | 192081 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 395 | 5 | 0 | 7 | 2.3 | Cn1ccnc1SCC1CCN(S(=O)(=O)c2ccc3c(c2)OCO3)CC1 | 10.1021/acs.jmedchem.2c00192 | ||
| CHEMBL5203148 | 192081 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 395 | 5 | 0 | 7 | 2.3 | Cn1ccnc1SCC1CCN(S(=O)(=O)c2ccc3c(c2)OCO3)CC1 | 10.1021/acs.jmedchem.2c00192 | ||
| 2986945 | 95026 | 7 | None | -6 | 5 | Rat | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 371 | 6 | 1 | 3 | 4.1 | CCN1CCN(c2ccc(NC(=O)CCc3ccccc3)cc2Cl)CC1 | 10.1016/j.bmcl.2007.12.051 | ||
| CHEMBL255169 | 95026 | 7 | None | -6 | 5 | Rat | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 371 | 6 | 1 | 3 | 4.1 | CCN1CCN(c2ccc(NC(=O)CCc3ccccc3)cc2Cl)CC1 | 10.1016/j.bmcl.2007.12.051 | ||
| 137636421 | 156009 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 521 | 3 | 0 | 3 | 5.3 | O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3[C@@]12c1ccc(N2CCc3ccccc3C2)cc1 | 10.1016/j.bmcl.2017.02.020 | ||
| CHEMBL4062351 | 156009 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 521 | 3 | 0 | 3 | 5.3 | O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3[C@@]12c1ccc(N2CCc3ccccc3C2)cc1 | 10.1016/j.bmcl.2017.02.020 | ||
| 71607056 | 116451 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 446 | 4 | 0 | 3 | 4.9 | CC(C)Oc1ccc(C(=O)N2CCN3C(=O)c4ccccc4C23c2ccc(Cl)cc2)cc1 | 10.1016/j.bmcl.2014.11.082 | ||
| CHEMBL3361319 | 116451 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 446 | 4 | 0 | 3 | 4.9 | CC(C)Oc1ccc(C(=O)N2CCN3C(=O)c4ccccc4C23c2ccc(Cl)cc2)cc1 | 10.1016/j.bmcl.2014.11.082 | ||
| 71598521 | 2558 | 16 | None | -1 | 2 | Rat | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 424 | 2 | 0 | 2 | 4.4 | Clc1ccc(cc1)[C@]12N(CCN1C(=O)c1c2cccc1)C(=O)c1ccc(c(c1)F)F | 10.1021/jm4013246 | ||
| 7631 | 2558 | 16 | None | -1 | 2 | Rat | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 424 | 2 | 0 | 2 | 4.4 | Clc1ccc(cc1)[C@]12N(CCN1C(=O)c1c2cccc1)C(=O)c1ccc(c(c1)F)F | 10.1021/jm4013246 | ||
| CHEMBL3105228 | 2558 | 16 | None | -1 | 2 | Rat | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 424 | 2 | 0 | 2 | 4.4 | Clc1ccc(cc1)[C@]12N(CCN1C(=O)c1c2cccc1)C(=O)c1ccc(c(c1)F)F | 10.1021/jm4013246 | ||
| 71607056 | 116451 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 446 | 4 | 0 | 3 | 4.9 | CC(C)Oc1ccc(C(=O)N2CCN3C(=O)c4ccccc4C23c2ccc(Cl)cc2)cc1 | 10.1016/j.bmcl.2014.11.082 | ||
| CHEMBL3361319 | 116451 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 446 | 4 | 0 | 3 | 4.9 | CC(C)Oc1ccc(C(=O)N2CCN3C(=O)c4ccccc4C23c2ccc(Cl)cc2)cc1 | 10.1016/j.bmcl.2014.11.082 | ||
| 168269097 | 189927 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 405 | 4 | 0 | 6 | 2.5 | Cn1ccnc1SC1C[C@@H]2CN(S(=O)(=O)c3ccc4c(c3)CCO4)C[C@@H]2C1 | 10.1021/acs.jmedchem.2c00192 | ||
| CHEMBL5170431 | 189927 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 405 | 4 | 0 | 6 | 2.5 | Cn1ccnc1SC1C[C@@H]2CN(S(=O)(=O)c3ccc4c(c3)CCO4)C[C@@H]2C1 | 10.1021/acs.jmedchem.2c00192 | ||
| 168269097 | 189927 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 405 | 4 | 0 | 6 | 2.5 | Cn1ccnc1SC1C[C@@H]2CN(S(=O)(=O)c3ccc4c(c3)CCO4)C[C@@H]2C1 | 10.1021/acs.jmedchem.2c00192 | ||
| CHEMBL5170431 | 189927 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 405 | 4 | 0 | 6 | 2.5 | Cn1ccnc1SC1C[C@@H]2CN(S(=O)(=O)c3ccc4c(c3)CCO4)C[C@@H]2C1 | 10.1021/acs.jmedchem.2c00192 | ||
| 71451570 | 81919 | 0 | None | -4 | 3 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 326 | 4 | 0 | 2 | 2.9 | CN1CCN(C(=O)[C@@](F)(Cc2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2012.09.011 | ||
| CHEMBL2164905 | 81919 | 0 | None | -4 | 3 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 326 | 4 | 0 | 2 | 2.9 | CN1CCN(C(=O)[C@@](F)(Cc2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2012.09.011 | ||
| 137636421 | 156009 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 521 | 3 | 0 | 3 | 5.3 | O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3[C@@]12c1ccc(N2CCc3ccccc3C2)cc1 | 10.1016/j.bmcl.2017.02.020 | ||
| CHEMBL4062351 | 156009 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 521 | 3 | 0 | 3 | 5.3 | O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3[C@@]12c1ccc(N2CCc3ccccc3C2)cc1 | 10.1016/j.bmcl.2017.02.020 | ||
| 46830361 | 7859 | 0 | None | -2 | 3 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 433 | 4 | 1 | 3 | 4.4 | CCN1CCN(c2ccc(NC(=O)c3c(F)c(F)c(F)c(F)c3F)cc2Cl)CC1 | 10.1016/j.bmcl.2010.02.041 | ||
| CHEMBL1090094 | 7859 | 0 | None | -2 | 3 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 433 | 4 | 1 | 3 | 4.4 | CCN1CCN(c2ccc(NC(=O)c3c(F)c(F)c(F)c(F)c3F)cc2Cl)CC1 | 10.1016/j.bmcl.2010.02.041 | ||
| 118724895 | 116450 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 432 | 4 | 0 | 3 | 4.6 | CCOc1ccc(C(=O)N2CCN3C(=O)c4ccccc4C23c2ccc(Cl)cc2)cc1 | 10.1016/j.bmcl.2014.11.082 | ||
| CHEMBL3361318 | 116450 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 432 | 4 | 0 | 3 | 4.6 | CCOc1ccc(C(=O)N2CCN3C(=O)c4ccccc4C23c2ccc(Cl)cc2)cc1 | 10.1016/j.bmcl.2014.11.082 | ||
| 118724895 | 116450 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 432 | 4 | 0 | 3 | 4.6 | CCOc1ccc(C(=O)N2CCN3C(=O)c4ccccc4C23c2ccc(Cl)cc2)cc1 | 10.1016/j.bmcl.2014.11.082 | ||
| CHEMBL3361318 | 116450 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 432 | 4 | 0 | 3 | 4.6 | CCOc1ccc(C(=O)N2CCN3C(=O)c4ccccc4C23c2ccc(Cl)cc2)cc1 | 10.1016/j.bmcl.2014.11.082 | ||
| 168279639 | 191009 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 407 | 5 | 0 | 6 | 2.9 | CC1Cc2cc(S(=O)(=O)N3CCC(CSc4nccn4C)CC3)ccc2O1 | 10.1021/acs.jmedchem.2c00192 | ||
| CHEMBL5186990 | 191009 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 407 | 5 | 0 | 6 | 2.9 | CC1Cc2cc(S(=O)(=O)N3CCC(CSc4nccn4C)CC3)ccc2O1 | 10.1021/acs.jmedchem.2c00192 | ||
| 168279639 | 191009 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 407 | 5 | 0 | 6 | 2.9 | CC1Cc2cc(S(=O)(=O)N3CCC(CSc4nccn4C)CC3)ccc2O1 | 10.1021/acs.jmedchem.2c00192 | ||
| CHEMBL5186990 | 191009 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 407 | 5 | 0 | 6 | 2.9 | CC1Cc2cc(S(=O)(=O)N3CCC(CSc4nccn4C)CC3)ccc2O1 | 10.1021/acs.jmedchem.2c00192 | ||
| 137634701 | 155783 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 546 | 4 | 0 | 5 | 4.1 | CCOC(=O)N1CCN(c2ccc([C@@]34c5ccccc5C(=O)N3CCN4C(=O)c3ccc(F)c(F)c3)cc2)CC1 | 10.1016/j.bmcl.2017.02.020 | ||
| CHEMBL4059751 | 155783 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 546 | 4 | 0 | 5 | 4.1 | CCOC(=O)N1CCN(c2ccc([C@@]34c5ccccc5C(=O)N3CCN4C(=O)c3ccc(F)c(F)c3)cc2)CC1 | 10.1016/j.bmcl.2017.02.020 | ||
| 71800902 | 191774 | 9 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 393 | 6 | 0 | 6 | 2.8 | CC(=O)c1cccc(S(=O)(=O)N2CCC(CSc3nccn3C)CC2)c1 | 10.1021/acs.jmedchem.2c00192 | ||
| CHEMBL5198283 | 191774 | 9 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 393 | 6 | 0 | 6 | 2.8 | CC(=O)c1cccc(S(=O)(=O)N2CCC(CSc3nccn3C)CC2)c1 | 10.1021/acs.jmedchem.2c00192 | ||
| 118719492 | 115525 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 452 | 3 | 0 | 3 | 4.2 | COc1cc(C23c4ccccc4C(=O)N2CCN3C(=O)c2cc(F)c(F)c(F)c2)ccc1C | 10.1016/j.bmcl.2014.11.082 | ||
| CHEMBL3353280 | 115525 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 452 | 3 | 0 | 3 | 4.2 | COc1cc(C23c4ccccc4C(=O)N2CCN3C(=O)c2cc(F)c(F)c(F)c2)ccc1C | 10.1016/j.bmcl.2014.11.082 | ||
| 168271323 | 190521 | 0 | None | 75 | 2 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 393 | 5 | 0 | 6 | 2.5 | Cn1ccnc1SCC1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)CC1 | 10.1021/acs.jmedchem.2c00192 | ||
| CHEMBL5179833 | 190521 | 0 | None | 75 | 2 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 393 | 5 | 0 | 6 | 2.5 | Cn1ccnc1SCC1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)CC1 | 10.1021/acs.jmedchem.2c00192 | ||
| 168271323 | 190521 | 0 | None | 75 | 2 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 393 | 5 | 0 | 6 | 2.5 | Cn1ccnc1SCC1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)CC1 | 10.1021/acs.jmedchem.2c00192 | ||
| CHEMBL5179833 | 190521 | 0 | None | 75 | 2 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 393 | 5 | 0 | 6 | 2.5 | Cn1ccnc1SCC1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)CC1 | 10.1021/acs.jmedchem.2c00192 | ||
| 168279398 | 191128 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 407 | 5 | 0 | 6 | 2.9 | Cc1cnc(SCC2CCN(S(=O)(=O)c3ccc4c(c3)CCO4)CC2)n1C | 10.1021/acs.jmedchem.2c00192 | ||
| CHEMBL5188559 | 191128 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 407 | 5 | 0 | 6 | 2.9 | Cc1cnc(SCC2CCN(S(=O)(=O)c3ccc4c(c3)CCO4)CC2)n1C | 10.1021/acs.jmedchem.2c00192 | ||
| 168279398 | 191128 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 407 | 5 | 0 | 6 | 2.9 | Cc1cnc(SCC2CCN(S(=O)(=O)c3ccc4c(c3)CCO4)CC2)n1C | 10.1021/acs.jmedchem.2c00192 | ||
| CHEMBL5188559 | 191128 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 407 | 5 | 0 | 6 | 2.9 | Cc1cnc(SCC2CCN(S(=O)(=O)c3ccc4c(c3)CCO4)CC2)n1C | 10.1021/acs.jmedchem.2c00192 | ||
| 168298075 | 192639 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 457 | 4 | 1 | 6 | 3.7 | C[C@@H]1C[C@@H](C(=O)Nc2ccc3scnc3c2)CCN1S(=O)(=O)c1ccc2c(c1)CCO2 | 10.1016/j.bmcl.2022.128988 | ||
| CHEMBL5218587 | 192639 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 457 | 4 | 1 | 6 | 3.7 | C[C@@H]1C[C@@H](C(=O)Nc2ccc3scnc3c2)CCN1S(=O)(=O)c1ccc2c(c1)CCO2 | 10.1016/j.bmcl.2022.128988 | ||
| 137634701 | 155783 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 546 | 4 | 0 | 5 | 4.1 | CCOC(=O)N1CCN(c2ccc([C@@]34c5ccccc5C(=O)N3CCN4C(=O)c3ccc(F)c(F)c3)cc2)CC1 | 10.1016/j.bmcl.2017.02.020 | ||
| CHEMBL4059751 | 155783 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 546 | 4 | 0 | 5 | 4.1 | CCOC(=O)N1CCN(c2ccc([C@@]34c5ccccc5C(=O)N3CCN4C(=O)c3ccc(F)c(F)c3)cc2)CC1 | 10.1016/j.bmcl.2017.02.020 | ||
| 162522971 | 192660 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 452 | 4 | 1 | 6 | 3.9 | O=C(Nc1ccc2scnc2c1)C1CCN(S(=O)(=O)c2ccc3ncccc3c2)CC1 | 10.1016/j.bmcl.2022.128988 | ||
| CHEMBL5219139 | 192660 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 452 | 4 | 1 | 6 | 3.9 | O=C(Nc1ccc2scnc2c1)C1CCN(S(=O)(=O)c2ccc3ncccc3c2)CC1 | 10.1016/j.bmcl.2022.128988 | ||
| 118719489 | 115522 | 0 | None | -1 | 2 | Rat | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 452 | 3 | 0 | 3 | 4.2 | COc1ccc(C23c4ccccc4C(=O)N2CCN3C(=O)c2cc(F)c(F)c(F)c2)cc1C | 10.1016/j.bmcl.2014.11.082 | ||
| CHEMBL3353277 | 115522 | 0 | None | -1 | 2 | Rat | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 452 | 3 | 0 | 3 | 4.2 | COc1ccc(C23c4ccccc4C(=O)N2CCN3C(=O)c2cc(F)c(F)c(F)c2)cc1C | 10.1016/j.bmcl.2014.11.082 | ||
| 174174 | 521 | 49 | None | -1 | 7 | Human | 9.7 | pKi | = | 9.7 | Functional | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm900286j | ||
| 260 | 521 | 49 | None | -1 | 7 | Human | 9.7 | pKi | = | 9.7 | Functional | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm900286j | ||
| 320 | 521 | 49 | None | -1 | 7 | Human | 9.7 | pKi | = | 9.7 | Functional | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm900286j | ||
| CHEMBL517712 | 521 | 49 | None | -1 | 7 | Human | 9.7 | pKi | = | 9.7 | Functional | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm900286j | ||
| DB00572 | 521 | 49 | None | -1 | 7 | Human | 9.7 | pKi | = | 9.7 | Functional | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm900286j | ||
| 1979 | 77297 | 70 | None | -1 | 7 | Human | 8.3 | pEC50 | = | 8.3 | Functional | Drug Central | 169 | 1 | 0 | 3 | 0.6 | CC(=O)OC1CN2CCC1CC2 | None | ||
| CHEMBL20835 | 77297 | 70 | None | -1 | 7 | Human | 8.3 | pEC50 | = | 8.3 | Functional | Drug Central | 169 | 1 | 0 | 3 | 0.6 | CC(=O)OC1CN2CCC1CC2 | None | ||
| 187 | 255 | 39 | None | -1 | 8 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | None | ||
| 294 | 255 | 39 | None | -1 | 8 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | None | ||
| 65 | 255 | 39 | None | -1 | 8 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | None | ||
| 8593 | 255 | 39 | None | -1 | 8 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | None | ||
| CHEMBL667 | 255 | 39 | None | -1 | 8 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | None | ||
| DB03128 | 255 | 39 | None | -1 | 8 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | None | ||
| 2166 | 3101 | 49 | None | 1 | 10 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | None | ||
| 305 | 3101 | 49 | None | 1 | 10 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | None | ||
| 5910 | 3101 | 49 | None | 1 | 10 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | None | ||
| CHEMBL550 | 3101 | 49 | None | 1 | 10 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | None | ||
| DB01085 | 3101 | 49 | None | 1 | 10 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | None | ||
| 123603 | 880 | 29 | None | -1 | 5 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 199 | 0 | 0 | 3 | 1.6 | CC1SCC2(O1)CN1CCC2CC1 | None | ||
| 2684 | 880 | 29 | None | -1 | 5 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 199 | 0 | 0 | 3 | 1.6 | CC1SCC2(O1)CN1CCC2CC1 | None | ||
| 584 | 880 | 29 | None | -1 | 5 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 199 | 0 | 0 | 3 | 1.6 | CC1SCC2(O1)CN1CCC2CC1 | None | ||
| 9658 | 880 | 29 | None | -1 | 5 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 199 | 0 | 0 | 3 | 1.6 | CC1SCC2(O1)CN1CCC2CC1 | None | ||
| CHEMBL168815 | 880 | 29 | None | -1 | 5 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 199 | 0 | 0 | 3 | 1.6 | CC1SCC2(O1)CN1CCC2CC1 | None | ||
| 5831 | 215938 | 0 | None | -1 | 5 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 182 | 3 | 1 | 2 | -3.2 | C[N+](C)(C)CCOC(=O)N.[Cl-] | None | ||
| 3008304 | 3992 | 52 | None | 1 | 4 | Human | 5.4 | pEC50 | = | 5.4 | Functional | Guide to Pharmacology | 315 | 2 | 0 | 2 | 3.2 | Brc1ccc(cc1)CN1c2ccccc2C(=O)C1=O | 19438238 | ||
| 7632 | 3992 | 52 | None | 1 | 4 | Human | 5.4 | pEC50 | = | 5.4 | Functional | Guide to Pharmacology | 315 | 2 | 0 | 2 | 3.2 | Brc1ccc(cc1)CN1c2ccccc2C(=O)C1=O | 19438238 | ||
| CHEMBL523685 | 3992 | 52 | None | 1 | 4 | Human | 5.4 | pEC50 | = | 5.4 | Functional | Guide to Pharmacology | 315 | 2 | 0 | 2 | 3.2 | Brc1ccc(cc1)CN1c2ccccc2C(=O)C1=O | 19438238 | ||
| 3257 | 3997 | 61 | None | -1047 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | Guide to Pharmacology | 351 | 4 | 0 | 4 | 3.3 | COc1ccc(cc1)CN1c2ccc(cc2C(=O)C1=O)OC(F)(F)F | 19438238 | ||
| 42633508 | 3997 | 61 | None | -1047 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | Guide to Pharmacology | 351 | 4 | 0 | 4 | 3.3 | COc1ccc(cc1)CN1c2ccc(cc2C(=O)C1=O)OC(F)(F)F | 19438238 | ||
| CHEMBL466253 | 3997 | 61 | None | -1047 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | Guide to Pharmacology | 351 | 4 | 0 | 4 | 3.3 | COc1ccc(cc1)CN1c2ccc(cc2C(=O)C1=O)OC(F)(F)F | 19438238 | ||
| 288 | 251 | 0 | None | -3 | 5 | Human | 5.1 | pEC50 | None | 5.1 | Functional | Guide to Pharmacology | 170 | 1 | 1 | 2 | -0.8 | CC(=O)O[C@H]1C[NH+]2CCC1CC2 | 8968358 | ||
| 6979053 | 251 | 0 | None | -3 | 5 | Human | 5.1 | pEC50 | None | 5.1 | Functional | Guide to Pharmacology | 170 | 1 | 1 | 2 | -0.8 | CC(=O)O[C@H]1C[NH+]2CCC1CC2 | 8968358 | ||
| 286 | 252 | 0 | None | -6 | 5 | Human | 5.5 | pEC50 | None | 5.5 | Functional | Guide to Pharmacology | 170 | 1 | 1 | 2 | -0.8 | CC(=O)O[C@@H]1C[NH+]2CCC1CC2 | 8968358 | ||
| 6954180 | 252 | 0 | None | -6 | 5 | Human | 5.5 | pEC50 | None | 5.5 | Functional | Guide to Pharmacology | 170 | 1 | 1 | 2 | -0.8 | CC(=O)O[C@@H]1C[NH+]2CCC1CC2 | 8968358 | ||
| 71737672 | 2559 | 19 | None | -1 | 6 | Human | 4.8 | pKB | = | 4.8 | Functional | Guide to Pharmacology | 494 | 6 | 1 | 4 | 4.0 | CCN(C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2c(c1)cn[nH]2)Cc1ccccc1C(F)(F)F | 25147929 | ||
| 71737672 | 2559 | 19 | None | -1 | 6 | Human | 4.8 | pKB | = | 4.8 | Functional | Guide to Pharmacology | 494 | 6 | 1 | 4 | 4.0 | CCN(C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2c(c1)cn[nH]2)Cc1ccccc1C(F)(F)F | 27461343 | ||
| 8687 | 2559 | 19 | None | -1 | 6 | Human | 4.8 | pKB | = | 4.8 | Functional | Guide to Pharmacology | 494 | 6 | 1 | 4 | 4.0 | CCN(C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2c(c1)cn[nH]2)Cc1ccccc1C(F)(F)F | 25147929 | ||
| 8687 | 2559 | 19 | None | -1 | 6 | Human | 4.8 | pKB | = | 4.8 | Functional | Guide to Pharmacology | 494 | 6 | 1 | 4 | 4.0 | CCN(C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2c(c1)cn[nH]2)Cc1ccccc1C(F)(F)F | 27461343 | ||
| CHEMBL3329755 | 2559 | 19 | None | -1 | 6 | Human | 4.8 | pKB | = | 4.8 | Functional | Guide to Pharmacology | 494 | 6 | 1 | 4 | 4.0 | CCN(C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2c(c1)cn[nH]2)Cc1ccccc1C(F)(F)F | 25147929 | ||
| CHEMBL3329755 | 2559 | 19 | None | -1 | 6 | Human | 4.8 | pKB | = | 4.8 | Functional | Guide to Pharmacology | 494 | 6 | 1 | 4 | 4.0 | CCN(C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2c(c1)cn[nH]2)Cc1ccccc1C(F)(F)F | 27461343 | ||
| 71598521 | 2558 | 16 | None | 1 | 2 | Human | 6.4 | pKB | = | 6.4 | Functional | Guide to Pharmacology | 424 | 2 | 0 | 2 | 4.4 | Clc1ccc(cc1)[C@]12N(CCN1C(=O)c1c2cccc1)C(=O)c1ccc(c(c1)F)F | 24164599 | ||
| 71598521 | 2558 | 16 | None | 1 | 2 | Human | 6.4 | pKB | = | 6.4 | Functional | Guide to Pharmacology | 424 | 2 | 0 | 2 | 4.4 | Clc1ccc(cc1)[C@]12N(CCN1C(=O)c1c2cccc1)C(=O)c1ccc(c(c1)F)F | 27461343 | ||
| 71598521 | 2558 | 16 | None | 1 | 2 | Human | 6.4 | pKB | = | 6.4 | Functional | Guide to Pharmacology | 424 | 2 | 0 | 2 | 4.4 | Clc1ccc(cc1)[C@]12N(CCN1C(=O)c1c2cccc1)C(=O)c1ccc(c(c1)F)F | 34351123 | ||
| 7631 | 2558 | 16 | None | 1 | 2 | Human | 6.4 | pKB | = | 6.4 | Functional | Guide to Pharmacology | 424 | 2 | 0 | 2 | 4.4 | Clc1ccc(cc1)[C@]12N(CCN1C(=O)c1c2cccc1)C(=O)c1ccc(c(c1)F)F | 24164599 | ||
| 7631 | 2558 | 16 | None | 1 | 2 | Human | 6.4 | pKB | = | 6.4 | Functional | Guide to Pharmacology | 424 | 2 | 0 | 2 | 4.4 | Clc1ccc(cc1)[C@]12N(CCN1C(=O)c1c2cccc1)C(=O)c1ccc(c(c1)F)F | 27461343 | ||
| 7631 | 2558 | 16 | None | 1 | 2 | Human | 6.4 | pKB | = | 6.4 | Functional | Guide to Pharmacology | 424 | 2 | 0 | 2 | 4.4 | Clc1ccc(cc1)[C@]12N(CCN1C(=O)c1c2cccc1)C(=O)c1ccc(c(c1)F)F | 34351123 | ||
| CHEMBL3105228 | 2558 | 16 | None | 1 | 2 | Human | 6.4 | pKB | = | 6.4 | Functional | Guide to Pharmacology | 424 | 2 | 0 | 2 | 4.4 | Clc1ccc(cc1)[C@]12N(CCN1C(=O)c1c2cccc1)C(=O)c1ccc(c(c1)F)F | 24164599 | ||
| CHEMBL3105228 | 2558 | 16 | None | 1 | 2 | Human | 6.4 | pKB | = | 6.4 | Functional | Guide to Pharmacology | 424 | 2 | 0 | 2 | 4.4 | Clc1ccc(cc1)[C@]12N(CCN1C(=O)c1c2cccc1)C(=O)c1ccc(c(c1)F)F | 27461343 | ||
| CHEMBL3105228 | 2558 | 16 | None | 1 | 2 | Human | 6.4 | pKB | = | 6.4 | Functional | Guide to Pharmacology | 424 | 2 | 0 | 2 | 4.4 | Clc1ccc(cc1)[C@]12N(CCN1C(=O)c1c2cccc1)C(=O)c1ccc(c(c1)F)F | 34351123 | ||
| 176 | 397 | 66 | None | -1 | 40 | Human | 7.3 | pKB | = | 7.3 | Functional | Guide to Pharmacology | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | 20348203 | ||
| 2157 | 397 | 66 | None | -1 | 40 | Human | 7.3 | pKB | = | 7.3 | Functional | Guide to Pharmacology | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | 20348203 | ||
| 2566 | 397 | 66 | None | -1 | 40 | Human | 7.3 | pKB | = | 7.3 | Functional | Guide to Pharmacology | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | 20348203 | ||
| CHEMBL633 | 397 | 66 | None | -1 | 40 | Human | 7.3 | pKB | = | 7.3 | Functional | Guide to Pharmacology | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | 20348203 | ||
| DB01118 | 397 | 66 | None | -1 | 40 | Human | 7.3 | pKB | = | 7.3 | Functional | Guide to Pharmacology | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | 20348203 | ||
| 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 |
| 367 | 3795 | 12 | None | -5 | 8 | Human | 8.8 | pAC50 | = | 8.8 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1038/s41467-023-40064-9 | ||
| 5487427 | 3795 | 12 | None | -5 | 8 | Human | 8.8 | pAC50 | = | 8.8 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1038/s41467-023-40064-9 | ||
| 8592 | 3795 | 12 | None | -5 | 8 | Human | 8.8 | pAC50 | = | 8.8 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1900528 | 3795 | 12 | None | -5 | 8 | Human | 8.8 | pAC50 | = | 8.8 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL3305968 | 3795 | 12 | None | -5 | 8 | Human | 8.8 | pAC50 | = | 8.8 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL4650755 | 3795 | 12 | None | -5 | 8 | Human | 8.8 | pAC50 | = | 8.8 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1038/s41467-023-40064-9 | ||
| DB01409 | 3795 | 12 | None | -5 | 8 | Human | 8.8 | pAC50 | = | 8.8 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1038/s41467-023-40064-9 | ||
| 11693 | 1814 | 16 | None | -1 | 5 | Human | 8.7 | pAC50 | = | 8.7 | Binding | ChEMBL | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | 10.1038/s41467-023-40064-9 | ||
| 3494 | 1814 | 16 | None | -1 | 5 | Human | 8.7 | pAC50 | = | 8.7 | Binding | ChEMBL | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | 10.1038/s41467-023-40064-9 | ||
| 4302 | 1814 | 16 | None | -1 | 5 | Human | 8.7 | pAC50 | = | 8.7 | Binding | ChEMBL | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | 10.1038/s41467-023-40064-9 | ||
| 7459 | 1814 | 16 | None | -1 | 5 | Human | 8.7 | pAC50 | = | 8.7 | Binding | ChEMBL | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1201335 | 1814 | 16 | None | -1 | 5 | Human | 8.7 | pAC50 | = | 8.7 | Binding | ChEMBL | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | 10.1038/s41467-023-40064-9 | ||
| DB00986 | 1814 | 16 | None | -1 | 5 | Human | 8.7 | pAC50 | = | 8.7 | Binding | ChEMBL | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | 10.1038/s41467-023-40064-9 | ||
| 43815 | 186896 | 64 | None | -14 | 25 | Human | 6.0 | pAC50 | = | 6.0 | Binding | ChEMBL | 329 | 4 | 1 | 4 | 3.3 | Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1708 | 186896 | 64 | None | -14 | 25 | Human | 6.0 | pAC50 | = | 6.0 | Binding | ChEMBL | 329 | 4 | 1 | 4 | 3.3 | Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL490 | 186896 | 64 | None | -14 | 25 | Human | 6.0 | pAC50 | = | 6.0 | Binding | ChEMBL | 329 | 4 | 1 | 4 | 3.3 | Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1 | 10.1038/s41467-023-40064-9 | ||
| 5328940 | 100188 | 107 | None | - | 0 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 529 | 9 | 1 | 8 | 5.2 | COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl | 10.1038/s41467-023-40064-9 | ||
| CHEMBL288441 | 100188 | 107 | None | - | 0 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 529 | 9 | 1 | 8 | 5.2 | COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl | 10.1038/s41467-023-40064-9 | ||
| 135398745 | 2893 | 112 | None | -8 | 66 | Human | 6.9 | pAC50 | = | 6.9 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1038/s41467-023-40064-9 | ||
| 47 | 2893 | 112 | None | -8 | 66 | Human | 6.9 | pAC50 | = | 6.9 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL715 | 2893 | 112 | None | -8 | 66 | Human | 6.9 | pAC50 | = | 6.9 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1038/s41467-023-40064-9 | ||
| DB00334 | 2893 | 112 | None | -8 | 66 | Human | 6.9 | pAC50 | = | 6.9 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL3039583 | 210926 | 0 | None | - | 0 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | None | None | None | NCCCC[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](c2ccccc2)NC(=O)[C@@H]2C[C@H](OC(=O)NCCN)CN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(OCc3ccccc3)cc2)NC1=O | 10.1038/s41467-023-40064-9 | ||||
| 3152 | 188387 | 103 | None | - | 0 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 379 | 6 | 0 | 4 | 4.4 | COc1cc2c(cc1OC)C(=O)C(CC1CCN(Cc3ccccc3)CC1)C2 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL502 | 188387 | 103 | None | - | 0 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 379 | 6 | 0 | 4 | 4.4 | COc1cc2c(cc1OC)C(=O)C(CC1CCN(Cc3ccccc3)CC1)C2 | 10.1038/s41467-023-40064-9 | ||
| 3180 | 14441 | 41 | None | - | 0 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 289 | 8 | 0 | 3 | 3.9 | CCCCOc1ccc(C(=O)CCN2CCCCC2)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1201217 | 14441 | 41 | None | - | 0 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 289 | 8 | 0 | 3 | 3.9 | CCCCOc1ccc(C(=O)CCN2CCCCC2)cc1 | 10.1038/s41467-023-40064-9 | ||
| 191 | 402 | 98 | None | -45 | 29 | Human | 5.8 | pAC50 | = | 5.8 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | 10.1038/s41467-023-40064-9 | ||
| 201 | 402 | 98 | None | -45 | 29 | Human | 5.8 | pAC50 | = | 5.8 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | 10.1038/s41467-023-40064-9 | ||
| 2170 | 402 | 98 | None | -45 | 29 | Human | 5.8 | pAC50 | = | 5.8 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1113 | 402 | 98 | None | -45 | 29 | Human | 5.8 | pAC50 | = | 5.8 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | 10.1038/s41467-023-40064-9 | ||
| DB00543 | 402 | 98 | None | -45 | 29 | Human | 5.8 | pAC50 | = | 5.8 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | 10.1038/s41467-023-40064-9 | ||
| 3158 | 56237 | 27 | None | -131 | 20 | Human | 6.7 | pAC50 | = | 6.7 | Binding | ChEMBL | 279 | 3 | 0 | 2 | 4.0 | CN(C)CCC=C1c2ccccc2COc2ccccc21 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1628227 | 56237 | 27 | None | -131 | 20 | Human | 6.7 | pAC50 | = | 6.7 | Binding | ChEMBL | 279 | 3 | 0 | 2 | 4.0 | CN(C)CCC=C1c2ccccc2COc2ccccc21 | 10.1038/s41467-023-40064-9 | ||
| 1971 | 2846 | 38 | None | -4 | 30 | Human | 6.6 | pAC50 | = | 6.6 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| 2404 | 2846 | 38 | None | -4 | 30 | Human | 6.6 | pAC50 | = | 6.6 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| 4543 | 2846 | 38 | None | -4 | 30 | Human | 6.6 | pAC50 | = | 6.6 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL445 | 2846 | 38 | None | -4 | 30 | Human | 6.6 | pAC50 | = | 6.6 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| DB00540 | 2846 | 38 | None | -4 | 30 | Human | 6.6 | pAC50 | = | 6.6 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| 25897919 | 55622 | 14 | None | -5 | 8 | Human | 8.5 | pAC50 | = | 8.5 | Binding | ChEMBL | 332 | 5 | 1 | 3 | 2.9 | CC(C)[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)C(CO)c1ccccc1)C2 | 10.1038/s41467-023-40064-9 | ||
| 657309 | 55622 | 14 | None | -5 | 8 | Human | 8.5 | pAC50 | = | 8.5 | Binding | ChEMBL | 332 | 5 | 1 | 3 | 2.9 | CC(C)[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)C(CO)c1ccccc1)C2 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1464005 | 55622 | 14 | None | -5 | 8 | Human | 8.5 | pAC50 | = | 8.5 | Binding | ChEMBL | 332 | 5 | 1 | 3 | 2.9 | CC(C)[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)C(CO)c1ccccc1)C2 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1621597 | 55622 | 14 | None | -5 | 8 | Human | 8.5 | pAC50 | = | 8.5 | Binding | ChEMBL | 332 | 5 | 1 | 3 | 2.9 | CC(C)[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)C(CO)c1ccccc1)C2 | 10.1038/s41467-023-40064-9 | ||
| 1427 | 2000 | 54 | None | -2 | 27 | Human | 6.5 | pAC50 | = | 6.5 | Binding | ChEMBL | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | ||
| 357 | 2000 | 54 | None | -2 | 27 | Human | 6.5 | pAC50 | = | 6.5 | Binding | ChEMBL | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | ||
| 3696 | 2000 | 54 | None | -2 | 27 | Human | 6.5 | pAC50 | = | 6.5 | Binding | ChEMBL | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL11 | 2000 | 54 | None | -2 | 27 | Human | 6.5 | pAC50 | = | 6.5 | Binding | ChEMBL | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | ||
| DB00458 | 2000 | 54 | None | -2 | 27 | Human | 6.5 | pAC50 | = | 6.5 | Binding | ChEMBL | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | ||
| 1209 | 1645 | 75 | None | -45 | 32 | Human | 5.3 | pAC50 | = | 5.3 | Binding | ChEMBL | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | 10.1038/s41467-023-40064-9 | ||
| 203 | 1645 | 75 | None | -45 | 32 | Human | 5.3 | pAC50 | = | 5.3 | Binding | ChEMBL | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | 10.1038/s41467-023-40064-9 | ||
| 3386 | 1645 | 75 | None | -45 | 32 | Human | 5.3 | pAC50 | = | 5.3 | Binding | ChEMBL | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | 10.1038/s41467-023-40064-9 | ||
| CHEMBL41 | 1645 | 75 | None | -45 | 32 | Human | 5.3 | pAC50 | = | 5.3 | Binding | ChEMBL | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | 10.1038/s41467-023-40064-9 | ||
| DB00472 | 1645 | 75 | None | -45 | 32 | Human | 5.3 | pAC50 | = | 5.3 | Binding | ChEMBL | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | 10.1038/s41467-023-40064-9 | ||
| 2284 | 3160 | 33 | None | -7 | 29 | Human | 6.2 | pAC50 | = | 6.2 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | 10.1038/s41467-023-40064-9 | ||
| 4926 | 3160 | 33 | None | -7 | 29 | Human | 6.2 | pAC50 | = | 6.2 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | 10.1038/s41467-023-40064-9 | ||
| 7281 | 3160 | 33 | None | -7 | 29 | Human | 6.2 | pAC50 | = | 6.2 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL564 | 3160 | 33 | None | -7 | 29 | Human | 6.2 | pAC50 | = | 6.2 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | 10.1038/s41467-023-40064-9 | ||
| DB00420 | 3160 | 33 | None | -7 | 29 | Human | 6.2 | pAC50 | = | 6.2 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | 10.1038/s41467-023-40064-9 | ||
| 1224 | 1420 | 83 | None | -5 | 13 | Human | 6.2 | pAC50 | = | 6.2 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | 10.1038/s41467-023-40064-9 | ||
| 3100 | 1420 | 83 | None | -5 | 13 | Human | 6.2 | pAC50 | = | 6.2 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | 10.1038/s41467-023-40064-9 | ||
| 8980 | 1420 | 83 | None | -5 | 13 | Human | 6.2 | pAC50 | = | 6.2 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | 10.1038/s41467-023-40064-9 | ||
| 916 | 1420 | 83 | None | -5 | 13 | Human | 6.2 | pAC50 | = | 6.2 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL657 | 1420 | 83 | None | -5 | 13 | Human | 6.2 | pAC50 | = | 6.2 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | 10.1038/s41467-023-40064-9 | ||
| DB01075 | 1420 | 83 | None | -5 | 13 | Human | 6.2 | pAC50 | = | 6.2 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | 10.1038/s41467-023-40064-9 | ||
| 2705 | 3813 | 64 | None | 1 | 10 | Human | 8.2 | pAC50 | = | 8.2 | Binding | ChEMBL | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | 10.1038/s41467-023-40064-9 | ||
| 360 | 3813 | 64 | None | 1 | 10 | Human | 8.2 | pAC50 | = | 8.2 | Binding | ChEMBL | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | 10.1038/s41467-023-40064-9 | ||
| 443879 | 3813 | 64 | None | 1 | 10 | Human | 8.2 | pAC50 | = | 8.2 | Binding | ChEMBL | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1382 | 3813 | 64 | None | 1 | 10 | Human | 8.2 | pAC50 | = | 8.2 | Binding | ChEMBL | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | 10.1038/s41467-023-40064-9 | ||
| DB01036 | 3813 | 64 | None | 1 | 10 | Human | 8.2 | pAC50 | = | 8.2 | Binding | ChEMBL | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | 10.1038/s41467-023-40064-9 | ||
| 2784 | 949 | 13 | None | - | 3 | Human | 8.2 | pAC50 | = | 8.2 | Binding | ChEMBL | 352 | 4 | 1 | 3 | 2.7 | O=C(C(c1ccccc1)(c1ccccc1)O)OC1C[N+]2(C)CCC1CC2 | 10.1038/s41467-023-40064-9 | ||
| 351 | 949 | 13 | None | - | 3 | Human | 8.2 | pAC50 | = | 8.2 | Binding | ChEMBL | 352 | 4 | 1 | 3 | 2.7 | O=C(C(c1ccccc1)(c1ccccc1)O)OC1C[N+]2(C)CCC1CC2 | 10.1038/s41467-023-40064-9 | ||
| 366 | 949 | 13 | None | - | 3 | Human | 8.2 | pAC50 | = | 8.2 | Binding | ChEMBL | 352 | 4 | 1 | 3 | 2.7 | O=C(C(c1ccccc1)(c1ccccc1)O)OC1C[N+]2(C)CCC1CC2 | 10.1038/s41467-023-40064-9 | ||
| 676 | 949 | 13 | None | - | 3 | Human | 8.2 | pAC50 | = | 8.2 | Binding | ChEMBL | 352 | 4 | 1 | 3 | 2.7 | O=C(C(c1ccccc1)(c1ccccc1)O)OC1C[N+]2(C)CCC1CC2 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL620 | 949 | 13 | None | - | 3 | Human | 8.2 | pAC50 | = | 8.2 | Binding | ChEMBL | 352 | 4 | 1 | 3 | 2.7 | O=C(C(c1ccccc1)(c1ccccc1)O)OC1C[N+]2(C)CCC1CC2 | 10.1038/s41467-023-40064-9 | ||
| DB00771 | 949 | 13 | None | - | 3 | Human | 8.2 | pAC50 | = | 8.2 | Binding | ChEMBL | 352 | 4 | 1 | 3 | 2.7 | O=C(C(c1ccccc1)(c1ccccc1)O)OC1C[N+]2(C)CCC1CC2 | 10.1038/s41467-023-40064-9 | ||
| 1210 | 915 | 51 | None | -91 | 21 | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | 10.1038/s41467-023-40064-9 | ||
| 1213 | 915 | 51 | None | -91 | 21 | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | 10.1038/s41467-023-40064-9 | ||
| 2725 | 915 | 51 | None | -91 | 21 | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | 10.1038/s41467-023-40064-9 | ||
| 33036 | 915 | 51 | None | -91 | 21 | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | 10.1038/s41467-023-40064-9 | ||
| 4411 | 915 | 51 | None | -91 | 21 | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | 10.1038/s41467-023-40064-9 | ||
| 616 | 915 | 51 | None | -91 | 21 | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | 10.1038/s41467-023-40064-9 | ||
| 6976 | 915 | 51 | None | -91 | 21 | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | 10.1038/s41467-023-40064-9 | ||
| 716121 | 915 | 51 | None | -91 | 21 | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | 10.1038/s41467-023-40064-9 | ||
| 90475904 | 915 | 51 | None | -91 | 21 | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1201353 | 915 | 51 | None | -91 | 21 | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1554789 | 915 | 51 | None | -91 | 21 | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL505 | 915 | 51 | None | -91 | 21 | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | 10.1038/s41467-023-40064-9 | ||
| DB01114 | 915 | 51 | None | -91 | 21 | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | 10.1038/s41467-023-40064-9 | ||
| DB13679 | 915 | 51 | None | -91 | 21 | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | 10.1038/s41467-023-40064-9 | ||
| 1613 | 2333 | 53 | None | -14 | 45 | Human | 6.2 | pAC50 | = | 6.2 | Binding | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | ||
| 205 | 2333 | 53 | None | -14 | 45 | Human | 6.2 | pAC50 | = | 6.2 | Binding | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | ||
| 3964 | 2333 | 53 | None | -14 | 45 | Human | 6.2 | pAC50 | = | 6.2 | Binding | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL831 | 2333 | 53 | None | -14 | 45 | Human | 6.2 | pAC50 | = | 6.2 | Binding | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | ||
| DB00408 | 2333 | 53 | None | -14 | 45 | Human | 6.2 | pAC50 | = | 6.2 | Binding | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | ||
| 135398737 | 955 | 93 | None | -8 | 92 | Human | 7.1 | pAC50 | = | 7.1 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| 38 | 955 | 93 | None | -8 | 92 | Human | 7.1 | pAC50 | = | 7.1 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| 722 | 955 | 93 | None | -8 | 92 | Human | 7.1 | pAC50 | = | 7.1 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL42 | 955 | 93 | None | -8 | 92 | Human | 7.1 | pAC50 | = | 7.1 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| DB00363 | 955 | 93 | None | -8 | 92 | Human | 7.1 | pAC50 | = | 7.1 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| 21722 | 17960 | 31 | None | - | 6 | Human | 5.1 | pAC50 | = | 5.1 | Binding | ChEMBL | 284 | 4 | 0 | 2 | 4.3 | CN(C)CCCn1c2c(c3ccccc31)CCCCCC2 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL126224 | 17960 | 31 | None | - | 6 | Human | 5.1 | pAC50 | = | 5.1 | Binding | ChEMBL | 284 | 4 | 0 | 2 | 4.3 | CN(C)CCCn1c2c(c3ccccc31)CCCCCC2 | 10.1038/s41467-023-40064-9 | ||
| 1353 | 1898 | 93 | None | -398 | 86 | Human | 5.1 | pAC50 | = | 5.1 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1038/s41467-023-40064-9 | ||
| 3559 | 1898 | 93 | None | -398 | 86 | Human | 5.1 | pAC50 | = | 5.1 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1038/s41467-023-40064-9 | ||
| 86 | 1898 | 93 | None | -398 | 86 | Human | 5.1 | pAC50 | = | 5.1 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1038/s41467-023-40064-9 | ||
| CHEMBL54 | 1898 | 93 | None | -398 | 86 | Human | 5.1 | pAC50 | = | 5.1 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1038/s41467-023-40064-9 | ||
| DB00502 | 1898 | 93 | None | -398 | 86 | Human | 5.1 | pAC50 | = | 5.1 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1038/s41467-023-40064-9 | ||
| 57525860 | 90042 | 0 | None | - | 0 | Rat | 9.7 | pEC50 | = | 9.7 | Binding | ChEMBL | 351 | 5 | 0 | 4 | 3.2 | O=C1C(=O)N(CCOc2ccccc2)c2ccc(OC(F)(F)F)cc21 | 10.1016/j.bmcl.2013.03.032 | ||
| CHEMBL2381694 | 90042 | 0 | None | - | 0 | Rat | 9.7 | pEC50 | = | 9.7 | Binding | ChEMBL | 351 | 5 | 0 | 4 | 3.2 | O=C1C(=O)N(CCOc2ccccc2)c2ccc(OC(F)(F)F)cc21 | 10.1016/j.bmcl.2013.03.032 | ||
| 57525860 | 90042 | 0 | None | - | 0 | Rat | 9.7 | pEC50 | = | 9.7 | Binding | ChEMBL | 351 | 5 | 0 | 4 | 3.2 | O=C1C(=O)N(CCOc2ccccc2)c2ccc(OC(F)(F)F)cc21 | 10.1016/j.bmcl.2013.03.032 | ||
| CHEMBL2381694 | 90042 | 0 | None | - | 0 | Rat | 9.7 | pEC50 | = | 9.7 | Binding | ChEMBL | 351 | 5 | 0 | 4 | 3.2 | O=C1C(=O)N(CCOc2ccccc2)c2ccc(OC(F)(F)F)cc21 | 10.1016/j.bmcl.2013.03.032 | ||
| 3257 | 3997 | 61 | None | - | 1 | Rat | 9.6 | pEC50 | = | 9.6 | Binding | ChEMBL | 351 | 4 | 0 | 4 | 3.3 | COc1ccc(cc1)CN1c2ccc(cc2C(=O)C1=O)OC(F)(F)F | 10.1016/j.bmcl.2013.03.032 | ||
| 42633508 | 3997 | 61 | None | - | 1 | Rat | 9.6 | pEC50 | = | 9.6 | Binding | ChEMBL | 351 | 4 | 0 | 4 | 3.3 | COc1ccc(cc1)CN1c2ccc(cc2C(=O)C1=O)OC(F)(F)F | 10.1016/j.bmcl.2013.03.032 | ||
| CHEMBL466253 | 3997 | 61 | None | - | 1 | Rat | 9.6 | pEC50 | = | 9.6 | Binding | ChEMBL | 351 | 4 | 0 | 4 | 3.3 | COc1ccc(cc1)CN1c2ccc(cc2C(=O)C1=O)OC(F)(F)F | 10.1016/j.bmcl.2013.03.032 | ||
| 3257 | 3997 | 61 | None | - | 1 | Rat | 9.6 | pEC50 | = | 9.6 | Binding | ChEMBL | 351 | 4 | 0 | 4 | 3.3 | COc1ccc(cc1)CN1c2ccc(cc2C(=O)C1=O)OC(F)(F)F | 10.1016/j.bmcl.2013.03.032 | ||
| 42633508 | 3997 | 61 | None | - | 1 | Rat | 9.6 | pEC50 | = | 9.6 | Binding | ChEMBL | 351 | 4 | 0 | 4 | 3.3 | COc1ccc(cc1)CN1c2ccc(cc2C(=O)C1=O)OC(F)(F)F | 10.1016/j.bmcl.2013.03.032 | ||
| CHEMBL466253 | 3997 | 61 | None | - | 1 | Rat | 9.6 | pEC50 | = | 9.6 | Binding | ChEMBL | 351 | 4 | 0 | 4 | 3.3 | COc1ccc(cc1)CN1c2ccc(cc2C(=O)C1=O)OC(F)(F)F | 10.1016/j.bmcl.2013.03.032 | ||
| 57525872 | 90043 | 0 | None | - | 0 | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 443 | 7 | 0 | 5 | 5.0 | O=C1C(=O)N(CCOc2ccc(Oc3ccccc3)cc2)c2ccc(OC(F)(F)F)cc21 | 10.1016/j.bmcl.2013.03.032 | ||
| CHEMBL2381695 | 90043 | 0 | None | - | 0 | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 443 | 7 | 0 | 5 | 5.0 | O=C1C(=O)N(CCOc2ccc(Oc3ccccc3)cc2)c2ccc(OC(F)(F)F)cc21 | 10.1016/j.bmcl.2013.03.032 | ||
| 57525872 | 90043 | 0 | None | - | 0 | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 443 | 7 | 0 | 5 | 5.0 | O=C1C(=O)N(CCOc2ccc(Oc3ccccc3)cc2)c2ccc(OC(F)(F)F)cc21 | 10.1016/j.bmcl.2013.03.032 | ||
| CHEMBL2381695 | 90043 | 0 | None | - | 0 | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 443 | 7 | 0 | 5 | 5.0 | O=C1C(=O)N(CCOc2ccc(Oc3ccccc3)cc2)c2ccc(OC(F)(F)F)cc21 | 10.1016/j.bmcl.2013.03.032 | ||
| 10465280 | 102758 | 1 | None | - | 0 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 196 | 2 | 1 | 4 | 1.5 | CC(C)Oc1noc2c1CNCCC2 | 10.1021/jm00012a019 | ||
| CHEMBL305264 | 102758 | 1 | None | - | 0 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 196 | 2 | 1 | 4 | 1.5 | CC(C)Oc1noc2c1CNCCC2 | 10.1021/jm00012a019 | ||
| 3257 | 3997 | 61 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 351 | 4 | 0 | 4 | 3.3 | COc1ccc(cc1)CN1c2ccc(cc2C(=O)C1=O)OC(F)(F)F | 10.1016/j.bmcl.2013.03.032 | ||
| 42633508 | 3997 | 61 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 351 | 4 | 0 | 4 | 3.3 | COc1ccc(cc1)CN1c2ccc(cc2C(=O)C1=O)OC(F)(F)F | 10.1016/j.bmcl.2013.03.032 | ||
| CHEMBL466253 | 3997 | 61 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 351 | 4 | 0 | 4 | 3.3 | COc1ccc(cc1)CN1c2ccc(cc2C(=O)C1=O)OC(F)(F)F | 10.1016/j.bmcl.2013.03.032 | ||
| 3257 | 3997 | 61 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 351 | 4 | 0 | 4 | 3.3 | COc1ccc(cc1)CN1c2ccc(cc2C(=O)C1=O)OC(F)(F)F | 10.1021/jm201139r | ||
| 42633508 | 3997 | 61 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 351 | 4 | 0 | 4 | 3.3 | COc1ccc(cc1)CN1c2ccc(cc2C(=O)C1=O)OC(F)(F)F | 10.1021/jm201139r | ||
| CHEMBL466253 | 3997 | 61 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 351 | 4 | 0 | 4 | 3.3 | COc1ccc(cc1)CN1c2ccc(cc2C(=O)C1=O)OC(F)(F)F | 10.1021/jm201139r | ||
| 10182490 | 13854 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 415 | 14 | 0 | 10 | 1.2 | CC(=O)OCCOCCOCCOCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm0301235 | ||
| CHEMBL1196131 | 13854 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 415 | 14 | 0 | 10 | 1.2 | CC(=O)OCCOCCOCCOCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm0301235 | ||
| CHEMBL555992 | 13854 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 415 | 14 | 0 | 10 | 1.2 | CC(=O)OCCOCCOCCOCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm0301235 | ||
| 9308 | 17722 | 21 | None | - | 7 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 174 | 2 | 1 | 2 | 0.2 | C[C@@H]1O[C@H](C[N+](C)(C)C)C[C@H]1O | 10.1016/j.bmc.2010.07.060 | ||
| CHEMBL1255785 | 17722 | 21 | None | - | 7 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 174 | 2 | 1 | 2 | 0.2 | C[C@@H]1O[C@H](C[N+](C)(C)C)C[C@H]1O | 10.1016/j.bmc.2010.07.060 | ||
| CHEMBL12587 | 17722 | 21 | None | - | 7 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 174 | 2 | 1 | 2 | 0.2 | C[C@@H]1O[C@H](C[N+](C)(C)C)C[C@H]1O | 10.1016/j.bmc.2010.07.060 | ||
| CHEMBL292911 | 17722 | 21 | None | - | 7 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 174 | 2 | 1 | 2 | 0.2 | C[C@@H]1O[C@H](C[N+](C)(C)C)C[C@H]1O | 10.1016/j.bmc.2010.07.060 | ||
| 57525867 | 90040 | 0 | None | - | 0 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 412 | 6 | 1 | 6 | 2.6 | COc1ccc(CN2C(=O)C(O)(C[N+](=O)[O-])c3cc(OC(F)(F)F)ccc32)cc1 | 10.1016/j.bmcl.2013.03.032 | ||
| CHEMBL2381692 | 90040 | 0 | None | - | 0 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 412 | 6 | 1 | 6 | 2.6 | COc1ccc(CN2C(=O)C(O)(C[N+](=O)[O-])c3cc(OC(F)(F)F)ccc32)cc1 | 10.1016/j.bmcl.2013.03.032 | ||
| 187 | 255 | 39 | None | -25 | 9 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jnatprod.2c01079 | ||
| 294 | 255 | 39 | None | -25 | 9 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jnatprod.2c01079 | ||
| 65 | 255 | 39 | None | -25 | 9 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jnatprod.2c01079 | ||
| 8593 | 255 | 39 | None | -25 | 9 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jnatprod.2c01079 | ||
| CHEMBL667 | 255 | 39 | None | -25 | 9 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jnatprod.2c01079 | ||
| DB03128 | 255 | 39 | None | -25 | 9 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jnatprod.2c01079 | ||
| CHEMBL5272950 | 193716 | 0 | None | - | 0 | Human | 4.8 | pEC50 | = | 4.8 | Binding | ChEMBL | 166 | 2 | 1 | 3 | 0.5 | O=C1C[C@@H](Cc2cnc[nH]2)CO1 | 10.1021/acs.jnatprod.2c01079 | ||
| 46945663 | 17510 | 0 | None | - | 0 | Human | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 432 | 5 | 0 | 5 | 4.6 | O=C1C(=O)N(Cc2ccc(Oc3cccc(F)n3)cc2)c2ccc(OC(F)(F)F)cc21 | 10.1016/j.bmcl.2013.03.032 | ||
| CHEMBL1257975 | 17510 | 0 | None | - | 0 | Human | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 432 | 5 | 0 | 5 | 4.6 | O=C1C(=O)N(Cc2ccc(Oc3cccc(F)n3)cc2)c2ccc(OC(F)(F)F)cc21 | 10.1016/j.bmcl.2013.03.032 | ||
| 71737672 | 2559 | 19 | None | - | 0 | Human | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 494 | 6 | 1 | 4 | 4.0 | CCN(C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2c(c1)cn[nH]2)Cc1ccccc1C(F)(F)F | 10.1021/acs.jmedchem.8b00875 | ||
| 8687 | 2559 | 19 | None | - | 0 | Human | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 494 | 6 | 1 | 4 | 4.0 | CCN(C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2c(c1)cn[nH]2)Cc1ccccc1C(F)(F)F | 10.1021/acs.jmedchem.8b00875 | ||
| CHEMBL3329755 | 2559 | 19 | None | - | 0 | Human | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 494 | 6 | 1 | 4 | 4.0 | CCN(C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2c(c1)cn[nH]2)Cc1ccccc1C(F)(F)F | 10.1021/acs.jmedchem.8b00875 | ||
| 44602489 | 201345 | 0 | None | - | 0 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 413 | 5 | 0 | 4 | 5.1 | O=C1C(=O)N(Cc2ccc(Oc3ccccc3)cc2)c2ccc(OC(F)(F)F)cc21 | 10.1021/jm201139r | ||
| CHEMBL604482 | 201345 | 0 | None | - | 0 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 413 | 5 | 0 | 4 | 5.1 | O=C1C(=O)N(Cc2ccc(Oc3ccccc3)cc2)c2ccc(OC(F)(F)F)cc21 | 10.1021/jm201139r | ||
| 44602489 | 201345 | 0 | None | - | 0 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 413 | 5 | 0 | 4 | 5.1 | O=C1C(=O)N(Cc2ccc(Oc3ccccc3)cc2)c2ccc(OC(F)(F)F)cc21 | 10.1016/j.bmcl.2013.03.032 | ||
| CHEMBL604482 | 201345 | 0 | None | - | 0 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 413 | 5 | 0 | 4 | 5.1 | O=C1C(=O)N(Cc2ccc(Oc3ccccc3)cc2)c2ccc(OC(F)(F)F)cc21 | 10.1016/j.bmcl.2013.03.032 | ||
| 10442337 | 203925 | 2 | None | - | 0 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 182 | 2 | 1 | 4 | 1.1 | CCOc1noc2c1CNCCC2 | 10.1021/jm00012a019 | ||
| CHEMBL69305 | 203925 | 2 | None | - | 0 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 182 | 2 | 1 | 4 | 1.1 | CCOc1noc2c1CNCCC2 | 10.1021/jm00012a019 | ||
| 57525851 | 90041 | 0 | None | - | 0 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 448 | 5 | 1 | 5 | 3.9 | COc1ccc(CN2C(=O)C(O)(c3ccc(F)nc3)c3cc(OC(F)(F)F)ccc32)cc1 | 10.1016/j.bmcl.2013.03.032 | ||
| CHEMBL2381693 | 90041 | 0 | None | - | 0 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 448 | 5 | 1 | 5 | 3.9 | COc1ccc(CN2C(=O)C(O)(c3ccc(F)nc3)c3cc(OC(F)(F)F)ccc32)cc1 | 10.1016/j.bmcl.2013.03.032 | ||
| 303 | 2957 | 17 | None | - | 6 | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 195 | 2 | 0 | 1 | 0.3 | O=C1CCCN1CC#CC[N+](C)(C)C | 10.1016/j.bmc.2010.07.060 | ||
| 4629 | 2957 | 17 | None | - | 6 | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 195 | 2 | 0 | 1 | 0.3 | O=C1CCCN1CC#CC[N+](C)(C)C | 10.1016/j.bmc.2010.07.060 | ||
| 8595 | 2957 | 17 | None | - | 6 | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 195 | 2 | 0 | 1 | 0.3 | O=C1CCCN1CC#CC[N+](C)(C)C | 10.1016/j.bmc.2010.07.060 | ||
| CHEMBL44674 | 2957 | 17 | None | - | 6 | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 195 | 2 | 0 | 1 | 0.3 | O=C1CCCN1CC#CC[N+](C)(C)C | 10.1016/j.bmc.2010.07.060 | ||
| 3652 | 4066 | 79 | None | -13 | 18 | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm0301235 | ||
| 57 | 4066 | 79 | None | -13 | 18 | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm0301235 | ||
| 60809 | 4066 | 79 | None | -13 | 18 | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm0301235 | ||
| CHEMBL21536 | 4066 | 79 | None | -13 | 18 | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm0301235 | ||
| DB15357 | 4066 | 79 | None | -13 | 18 | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm0301235 | ||
| 1424 | 91 | 39 | None | - | 0 | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 244 | 3 | 0 | 2 | 3.4 | Fc1cccc(c1)/C=N/N=C/c1cccc(c1)F | 10.1021/jm5011786 | ||
| 6604893 | 91 | 39 | None | - | 0 | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 244 | 3 | 0 | 2 | 3.4 | Fc1cccc(c1)/C=N/N=C/c1cccc(c1)F | 10.1021/jm5011786 | ||
| CHEMBL371811 | 91 | 39 | None | - | 0 | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 244 | 3 | 0 | 2 | 3.4 | Fc1cccc(c1)/C=N/N=C/c1cccc(c1)F | 10.1021/jm5011786 | ||
| 12314275 | 105947 | 1 | None | - | 0 | Human | 4.6 | pEC50 | = | 4.6 | Binding | ChEMBL | 180 | 2 | 0 | 4 | 0.5 | Cn1cncc1C[C@H]1COC(=O)C1 | 10.1021/acs.jnatprod.2c01079 | ||
| CHEMBL313046 | 105947 | 1 | None | - | 0 | Human | 4.6 | pEC50 | = | 4.6 | Binding | ChEMBL | 180 | 2 | 0 | 4 | 0.5 | Cn1cncc1C[C@H]1COC(=O)C1 | 10.1021/acs.jnatprod.2c01079 | ||
| 2551 | 791 | 23 | None | -204 | 11 | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/j.bmc.2010.07.060 | ||
| 298 | 791 | 23 | None | -204 | 11 | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/j.bmc.2010.07.060 | ||
| 488 | 791 | 23 | None | -204 | 11 | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/j.bmc.2010.07.060 | ||
| CHEMBL965 | 791 | 23 | None | -204 | 11 | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/j.bmc.2010.07.060 | ||
| DB00411 | 791 | 23 | None | -204 | 11 | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/j.bmc.2010.07.060 | ||
| 6891506 | 114464 | 33 | None | - | 0 | Human | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | 268 | 5 | 0 | 4 | 3.2 | COc1cccc(/C=N/N=C/c2cccc(OC)c2)c1 | 10.1021/jm5011786 | ||
| CHEMBL3334989 | 114464 | 33 | None | - | 0 | Human | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | 268 | 5 | 0 | 4 | 3.2 | COc1cccc(/C=N/N=C/c2cccc(OC)c2)c1 | 10.1021/jm5011786 | ||
| 53384880 | 114466 | 1 | None | - | 0 | Human | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 310 | 2 | 2 | 3 | 1.9 | O=C(N[C@H]1C[C@@H](O)C1)c1ccc(C#Cc2cccc(F)c2)cn1 | 10.1021/jm5011786 | ||
| CHEMBL3334991 | 114466 | 1 | None | - | 0 | Human | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 310 | 2 | 2 | 3 | 1.9 | O=C(N[C@H]1C[C@@H](O)C1)c1ccc(C#Cc2cccc(F)c2)cn1 | 10.1021/jm5011786 | ||
| 2551 | 791 | 23 | None | -204 | 11 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm00012a019 | ||
| 298 | 791 | 23 | None | -204 | 11 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm00012a019 | ||
| 488 | 791 | 23 | None | -204 | 11 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm00012a019 | ||
| CHEMBL965 | 791 | 23 | None | -204 | 11 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm00012a019 | ||
| DB00411 | 791 | 23 | None | -204 | 11 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm00012a019 | ||
| 3257 | 3997 | 61 | None | - | 1 | Rat | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 351 | 4 | 0 | 4 | 3.3 | COc1ccc(cc1)CN1c2ccc(cc2C(=O)C1=O)OC(F)(F)F | 10.1016/j.bmcl.2013.03.032 | ||
| 42633508 | 3997 | 61 | None | - | 1 | Rat | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 351 | 4 | 0 | 4 | 3.3 | COc1ccc(cc1)CN1c2ccc(cc2C(=O)C1=O)OC(F)(F)F | 10.1016/j.bmcl.2013.03.032 | ||
| CHEMBL466253 | 3997 | 61 | None | - | 1 | Rat | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 351 | 4 | 0 | 4 | 3.3 | COc1ccc(cc1)CN1c2ccc(cc2C(=O)C1=O)OC(F)(F)F | 10.1016/j.bmcl.2013.03.032 | ||
| 57525860 | 90042 | 0 | None | - | 0 | Rat | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 351 | 5 | 0 | 4 | 3.2 | O=C1C(=O)N(CCOc2ccccc2)c2ccc(OC(F)(F)F)cc21 | 10.1016/j.bmcl.2013.03.032 | ||
| CHEMBL2381694 | 90042 | 0 | None | - | 0 | Rat | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 351 | 5 | 0 | 4 | 3.2 | O=C1C(=O)N(CCOc2ccccc2)c2ccc(OC(F)(F)F)cc21 | 10.1016/j.bmcl.2013.03.032 | ||
| 3257 | 3997 | 61 | None | - | 1 | Rat | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 351 | 4 | 0 | 4 | 3.3 | COc1ccc(cc1)CN1c2ccc(cc2C(=O)C1=O)OC(F)(F)F | 10.1016/j.bmcl.2013.03.032 | ||
| 42633508 | 3997 | 61 | None | - | 1 | Rat | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 351 | 4 | 0 | 4 | 3.3 | COc1ccc(cc1)CN1c2ccc(cc2C(=O)C1=O)OC(F)(F)F | 10.1016/j.bmcl.2013.03.032 | ||
| CHEMBL466253 | 3997 | 61 | None | - | 1 | Rat | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 351 | 4 | 0 | 4 | 3.3 | COc1ccc(cc1)CN1c2ccc(cc2C(=O)C1=O)OC(F)(F)F | 10.1016/j.bmcl.2013.03.032 | ||
| 57525860 | 90042 | 0 | None | - | 0 | Rat | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 351 | 5 | 0 | 4 | 3.2 | O=C1C(=O)N(CCOc2ccccc2)c2ccc(OC(F)(F)F)cc21 | 10.1016/j.bmcl.2013.03.032 | ||
| CHEMBL2381694 | 90042 | 0 | None | - | 0 | Rat | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 351 | 5 | 0 | 4 | 3.2 | O=C1C(=O)N(CCOc2ccccc2)c2ccc(OC(F)(F)F)cc21 | 10.1016/j.bmcl.2013.03.032 | ||
| 53384880 | 92418 | 1 | None | - | 0 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 310 | 2 | 2 | 3 | 1.9 | O=C(N[C@H]1C[C@H](O)C1)c1ccc(C#Cc2cccc(F)c2)cn1 | 10.1021/jm5011786 | ||
| CHEMBL2431187 | 92418 | 1 | None | - | 0 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 310 | 2 | 2 | 3 | 1.9 | O=C(N[C@H]1C[C@H](O)C1)c1ccc(C#Cc2cccc(F)c2)cn1 | 10.1021/jm5011786 | ||
| 57525860 | 90042 | 0 | None | - | 0 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 351 | 5 | 0 | 4 | 3.2 | O=C1C(=O)N(CCOc2ccccc2)c2ccc(OC(F)(F)F)cc21 | 10.1016/j.bmcl.2013.03.032 | ||
| CHEMBL2381694 | 90042 | 0 | None | - | 0 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 351 | 5 | 0 | 4 | 3.2 | O=C1C(=O)N(CCOc2ccccc2)c2ccc(OC(F)(F)F)cc21 | 10.1016/j.bmcl.2013.03.032 | ||
| 57525860 | 90042 | 0 | None | - | 0 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 351 | 5 | 0 | 4 | 3.2 | O=C1C(=O)N(CCOc2ccccc2)c2ccc(OC(F)(F)F)cc21 | 10.1016/j.bmcl.2013.03.032 | ||
| CHEMBL2381694 | 90042 | 0 | None | - | 0 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 351 | 5 | 0 | 4 | 3.2 | O=C1C(=O)N(CCOc2ccccc2)c2ccc(OC(F)(F)F)cc21 | 10.1016/j.bmcl.2013.03.032 | ||
| 3008304 | 3992 | 52 | None | - | 0 | Human | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 315 | 2 | 0 | 2 | 3.2 | Brc1ccc(cc1)CN1c2ccccc2C(=O)C1=O | 10.1021/jm201139r | ||
| 7632 | 3992 | 52 | None | - | 0 | Human | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 315 | 2 | 0 | 2 | 3.2 | Brc1ccc(cc1)CN1c2ccccc2C(=O)C1=O | 10.1021/jm201139r | ||
| CHEMBL523685 | 3992 | 52 | None | - | 0 | Human | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 315 | 2 | 0 | 2 | 3.2 | Brc1ccc(cc1)CN1c2ccccc2C(=O)C1=O | 10.1021/jm201139r | ||
| 57525833 | 90044 | 0 | None | - | 0 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 385 | 5 | 0 | 4 | 3.8 | O=C1C(=O)N(CCOc2ccc(Cl)cc2)c2ccc(OC(F)(F)F)cc21 | 10.1016/j.bmcl.2013.03.032 | ||
| CHEMBL2381696 | 90044 | 0 | None | - | 0 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 385 | 5 | 0 | 4 | 3.8 | O=C1C(=O)N(CCOc2ccc(Cl)cc2)c2ccc(OC(F)(F)F)cc21 | 10.1016/j.bmcl.2013.03.032 | ||
| 57525833 | 90044 | 0 | None | - | 0 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 385 | 5 | 0 | 4 | 3.8 | O=C1C(=O)N(CCOc2ccc(Cl)cc2)c2ccc(OC(F)(F)F)cc21 | 10.1016/j.bmcl.2013.03.032 | ||
| CHEMBL2381696 | 90044 | 0 | None | - | 0 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 385 | 5 | 0 | 4 | 3.8 | O=C1C(=O)N(CCOc2ccc(Cl)cc2)c2ccc(OC(F)(F)F)cc21 | 10.1016/j.bmcl.2013.03.032 | ||
| 10442081 | 102581 | 9 | None | - | 0 | Human | 5.3 | pEC50 | = | 5.3 | Binding | ChEMBL | 168 | 1 | 1 | 4 | 0.7 | COc1noc2c1CNCCC2 | 10.1021/jm00012a019 | ||
| CHEMBL304142 | 102581 | 9 | None | - | 0 | Human | 5.3 | pEC50 | = | 5.3 | Binding | ChEMBL | 168 | 1 | 1 | 4 | 0.7 | COc1noc2c1CNCCC2 | 10.1021/jm00012a019 | ||
| 57525835 | 90046 | 0 | None | - | 0 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 365 | 5 | 0 | 4 | 3.5 | Cc1cccc(OCCN2C(=O)C(=O)c3cc(OC(F)(F)F)ccc32)c1 | 10.1016/j.bmcl.2013.03.032 | ||
| CHEMBL2381698 | 90046 | 0 | None | - | 0 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 365 | 5 | 0 | 4 | 3.5 | Cc1cccc(OCCN2C(=O)C(=O)c3cc(OC(F)(F)F)ccc32)c1 | 10.1016/j.bmcl.2013.03.032 | ||
| 57525835 | 90046 | 0 | None | - | 0 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 365 | 5 | 0 | 4 | 3.5 | Cc1cccc(OCCN2C(=O)C(=O)c3cc(OC(F)(F)F)ccc32)c1 | 10.1016/j.bmcl.2013.03.032 | ||
| CHEMBL2381698 | 90046 | 0 | None | - | 0 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 365 | 5 | 0 | 4 | 3.5 | Cc1cccc(OCCN2C(=O)C(=O)c3cc(OC(F)(F)F)ccc32)c1 | 10.1016/j.bmcl.2013.03.032 | ||
| 302 | 2956 | 25 | None | - | 8 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | 10.1021/jm00012a019 | ||
| 4630 | 2956 | 25 | None | - | 8 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | 10.1021/jm00012a019 | ||
| CHEMBL7634 | 2956 | 25 | None | - | 8 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | 10.1021/jm00012a019 | ||
| 57525858 | 90045 | 0 | None | - | 0 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 381 | 6 | 0 | 5 | 3.2 | COc1ccc(OCCN2C(=O)C(=O)c3cc(OC(F)(F)F)ccc32)cc1 | 10.1016/j.bmcl.2013.03.032 | ||
| CHEMBL2381697 | 90045 | 0 | None | - | 0 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 381 | 6 | 0 | 5 | 3.2 | COc1ccc(OCCN2C(=O)C(=O)c3cc(OC(F)(F)F)ccc32)cc1 | 10.1016/j.bmcl.2013.03.032 | ||
| 57525858 | 90045 | 0 | None | - | 0 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 381 | 6 | 0 | 5 | 3.2 | COc1ccc(OCCN2C(=O)C(=O)c3cc(OC(F)(F)F)ccc32)cc1 | 10.1016/j.bmcl.2013.03.032 | ||
| CHEMBL2381697 | 90045 | 0 | None | - | 0 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 381 | 6 | 0 | 5 | 3.2 | COc1ccc(OCCN2C(=O)C(=O)c3cc(OC(F)(F)F)ccc32)cc1 | 10.1016/j.bmcl.2013.03.032 | ||
| 2230 | 464 | 60 | None | -416 | 10 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1021/jm00012a019 | ||
| 296 | 464 | 60 | None | -416 | 10 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1021/jm00012a019 | ||
| CHEMBL7303 | 464 | 60 | None | -416 | 10 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1021/jm00012a019 | ||
| DB04365 | 464 | 60 | None | -416 | 10 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1021/jm00012a019 | ||
| 44251556 | 6577 | 13 | None | - | 0 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 335 | 3 | 0 | 4 | 3.0 | Cn1cc(-c2ccc(CN3C(=O)C(=O)c4ccccc43)c(F)c2)cn1 | 10.1016/j.bmcl.2013.03.032 | ||
| CHEMBL1083203 | 6577 | 13 | None | - | 0 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 335 | 3 | 0 | 4 | 3.0 | Cn1cc(-c2ccc(CN3C(=O)C(=O)c4ccccc43)c(F)c2)cn1 | 10.1016/j.bmcl.2013.03.032 | ||
| 2166 | 3101 | 49 | None | -28 | 8 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 10.1021/acs.jnatprod.2c01079 | ||
| 305 | 3101 | 49 | None | -28 | 8 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 10.1021/acs.jnatprod.2c01079 | ||
| 5910 | 3101 | 49 | None | -28 | 8 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 10.1021/acs.jnatprod.2c01079 | ||
| CHEMBL550 | 3101 | 49 | None | -28 | 8 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 10.1021/acs.jnatprod.2c01079 | ||
| DB01085 | 3101 | 49 | None | -28 | 8 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 10.1021/acs.jnatprod.2c01079 | ||
| 2551 | 791 | 23 | None | -204 | 11 | Human | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0301235 | ||
| 298 | 791 | 23 | None | -204 | 11 | Human | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0301235 | ||
| 488 | 791 | 23 | None | -204 | 11 | Human | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0301235 | ||
| CHEMBL965 | 791 | 23 | None | -204 | 11 | Human | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0301235 | ||
| DB00411 | 791 | 23 | None | -204 | 11 | Human | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0301235 | ||
| 91468 | 207041 | 15 | None | - | 0 | Human | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 208 | 3 | 0 | 4 | 1.2 | CC[C@H]1C(=O)OC[C@@H]1Cc1cncn1C | 10.1021/acs.jnatprod.2c01079 | ||
| CHEMBL91776 | 207041 | 15 | None | - | 0 | Human | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 208 | 3 | 0 | 4 | 1.2 | CC[C@H]1C(=O)OC[C@@H]1Cc1cncn1C | 10.1021/acs.jnatprod.2c01079 | ||
| 6861557 | 114465 | 31 | None | - | 0 | Human | 5.1 | pEC50 | = | 5.1 | Binding | ChEMBL | 276 | 3 | 0 | 2 | 4.4 | Clc1cccc(/C=N/N=C/c2cccc(Cl)c2)c1 | 10.1021/jm5011786 | ||
| CHEMBL3334990 | 114465 | 31 | None | - | 0 | Human | 5.1 | pEC50 | = | 5.1 | Binding | ChEMBL | 276 | 3 | 0 | 2 | 4.4 | Clc1cccc(/C=N/N=C/c2cccc(Cl)c2)c1 | 10.1021/jm5011786 | ||
| 187 | 255 | 39 | None | -25 | 9 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1016/j.bmc.2010.07.060 | ||
| 294 | 255 | 39 | None | -25 | 9 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1016/j.bmc.2010.07.060 | ||
| 65 | 255 | 39 | None | -25 | 9 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1016/j.bmc.2010.07.060 | ||
| 8593 | 255 | 39 | None | -25 | 9 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1016/j.bmc.2010.07.060 | ||
| CHEMBL667 | 255 | 39 | None | -25 | 9 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1016/j.bmc.2010.07.060 | ||
| DB03128 | 255 | 39 | None | -25 | 9 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1016/j.bmc.2010.07.060 | ||
| 10261985 | 203926 | 0 | None | - | 0 | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 192 | 2 | 1 | 4 | 0.7 | C#CCOc1noc2c1CNCCC2 | 10.1021/jm00012a019 | ||
| CHEMBL69306 | 203926 | 0 | None | - | 0 | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 192 | 2 | 1 | 4 | 0.7 | C#CCOc1noc2c1CNCCC2 | 10.1021/jm00012a019 | ||
| 367 | 3795 | 12 | None | -5 | 8 | Human | 10.0 | pIC50 | = | 10 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1016/j.bmcl.2010.10.016 | ||
| 5487427 | 3795 | 12 | None | -5 | 8 | Human | 10.0 | pIC50 | = | 10 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1016/j.bmcl.2010.10.016 | ||
| 8592 | 3795 | 12 | None | -5 | 8 | Human | 10.0 | pIC50 | = | 10 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1016/j.bmcl.2010.10.016 | ||
| CHEMBL1900528 | 3795 | 12 | None | -5 | 8 | Human | 10.0 | pIC50 | = | 10 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1016/j.bmcl.2010.10.016 | ||
| CHEMBL3305968 | 3795 | 12 | None | -5 | 8 | Human | 10.0 | pIC50 | = | 10 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1016/j.bmcl.2010.10.016 | ||
| CHEMBL4650755 | 3795 | 12 | None | -5 | 8 | Human | 10.0 | pIC50 | = | 10 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1016/j.bmcl.2010.10.016 | ||
| DB01409 | 3795 | 12 | None | -5 | 8 | Human | 10.0 | pIC50 | = | 10 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1016/j.bmcl.2010.10.016 | ||
| 11434515 | 261 | 6 | None | -1 | 5 | Human | 9.8 | pIC50 | = | 9.8 | Binding | ChEMBL | 484 | 9 | 1 | 6 | 4.7 | O=C(C(c1cccs1)(c1cccs1)O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2 | 10.1016/j.bmcl.2010.10.016 | ||
| 11519741 | 261 | 6 | None | -1 | 5 | Human | 9.8 | pIC50 | = | 9.8 | Binding | ChEMBL | 484 | 9 | 1 | 6 | 4.7 | O=C(C(c1cccs1)(c1cccs1)O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2 | 10.1016/j.bmcl.2010.10.016 | ||
| 4484 | 261 | 6 | None | -1 | 5 | Human | 9.8 | pIC50 | = | 9.8 | Binding | ChEMBL | 484 | 9 | 1 | 6 | 4.7 | O=C(C(c1cccs1)(c1cccs1)O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2 | 10.1016/j.bmcl.2010.10.016 | ||
| 7449 | 261 | 6 | None | -1 | 5 | Human | 9.8 | pIC50 | = | 9.8 | Binding | ChEMBL | 484 | 9 | 1 | 6 | 4.7 | O=C(C(c1cccs1)(c1cccs1)O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2 | 10.1016/j.bmcl.2010.10.016 | ||
| CHEMBL1194325 | 261 | 6 | None | -1 | 5 | Human | 9.8 | pIC50 | = | 9.8 | Binding | ChEMBL | 484 | 9 | 1 | 6 | 4.7 | O=C(C(c1cccs1)(c1cccs1)O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2 | 10.1016/j.bmcl.2010.10.016 | ||
| DB08897 | 261 | 6 | None | -1 | 5 | Human | 9.8 | pIC50 | = | 9.8 | Binding | ChEMBL | 484 | 9 | 1 | 6 | 4.7 | O=C(C(c1cccs1)(c1cccs1)O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2 | 10.1016/j.bmcl.2010.10.016 | ||
| 11693 | 1814 | 16 | None | -1 | 5 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | 10.1016/j.bmcl.2010.10.016 | ||
| 3494 | 1814 | 16 | None | -1 | 5 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | 10.1016/j.bmcl.2010.10.016 | ||
| 4302 | 1814 | 16 | None | -1 | 5 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | 10.1016/j.bmcl.2010.10.016 | ||
| 7459 | 1814 | 16 | None | -1 | 5 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | 10.1016/j.bmcl.2010.10.016 | ||
| CHEMBL1201335 | 1814 | 16 | None | -1 | 5 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | 10.1016/j.bmcl.2010.10.016 | ||
| DB00986 | 1814 | 16 | None | -1 | 5 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | 10.1016/j.bmcl.2010.10.016 | ||
| 1734 | 116 | 10 | None | -1 | 13 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | 10.1016/j.bmc.2016.11.014 | ||
| 307 | 116 | 10 | None | -1 | 13 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | 10.1016/j.bmc.2016.11.014 | ||
| CHEMBL168067 | 116 | 10 | None | -1 | 13 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | 10.1016/j.bmc.2016.11.014 | ||
| 1734 | 116 | 10 | None | -1 | 13 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | 10.1016/j.bmc.2016.03.006 | ||
| 307 | 116 | 10 | None | -1 | 13 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | 10.1016/j.bmc.2016.03.006 | ||
| CHEMBL168067 | 116 | 10 | None | -1 | 13 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | 10.1016/j.bmc.2016.03.006 | ||
| 49800047 | 14451 | 1 | None | -3 | 5 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | C[N+]1(C)[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@H]1[C@H]1O[C@@H]21 | nan | ||
| CHEMBL1201024 | 14451 | 1 | None | -3 | 5 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | C[N+]1(C)[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@H]1[C@H]1O[C@@H]21 | nan | ||
| CHEMBL1201268 | 14451 | 1 | None | -3 | 5 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | C[N+]1(C)[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@H]1[C@H]1O[C@@H]21 | nan | ||
| 1734 | 116 | 10 | None | -1 | 13 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | 10.1016/j.ejmech.2013.01.044 | ||
| 307 | 116 | 10 | None | -1 | 13 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | 10.1016/j.ejmech.2013.01.044 | ||
| CHEMBL168067 | 116 | 10 | None | -1 | 13 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | 10.1016/j.ejmech.2013.01.044 | ||
| 71575552 | 86165 | 0 | None | - | 2 | Rat | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 381 | 7 | 0 | 5 | 3.6 | COc1ccc(CCOC(=O)C2=C(c3ccccc3)CCN(C)C2)cc1OC | 10.1021/jm301774u | ||
| CHEMBL2312346 | 86165 | 0 | None | - | 2 | Rat | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 381 | 7 | 0 | 5 | 3.6 | COc1ccc(CCOC(=O)C2=C(c3ccccc3)CCN(C)C2)cc1OC | 10.1021/jm301774u | ||
| 1734 | 116 | 10 | None | -1 | 13 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | 10.1016/j.bmc.2013.03.016 | ||
| 307 | 116 | 10 | None | -1 | 13 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | 10.1016/j.bmc.2013.03.016 | ||
| CHEMBL168067 | 116 | 10 | None | -1 | 13 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | 10.1016/j.bmc.2013.03.016 | ||
| 1734 | 116 | 10 | None | -1 | 13 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | 10.1021/jm8007618 | ||
| 307 | 116 | 10 | None | -1 | 13 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | 10.1021/jm8007618 | ||
| CHEMBL168067 | 116 | 10 | None | -1 | 13 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | 10.1021/jm8007618 | ||
| 174174 | 521 | 49 | None | -2 | 14 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | nan | ||
| 260 | 521 | 49 | None | -2 | 14 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | nan | ||
| 320 | 521 | 49 | None | -2 | 14 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | nan | ||
| CHEMBL517712 | 521 | 49 | None | -2 | 14 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | nan | ||
| DB00572 | 521 | 49 | None | -2 | 14 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | nan | ||
| 2683 | 102861 | 25 | None | -1 | 16 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 304 | 15 | 0 | 0 | 6.5 | CCCCCCCCCCCCCCCC[n+]1ccccc1 | nan | ||
| CHEMBL305906 | 102861 | 25 | None | -1 | 16 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 304 | 15 | 0 | 0 | 6.5 | CCCCCCCCCCCCCCCC[n+]1ccccc1 | nan | ||
| CHEMBL334255 | 102861 | 25 | None | -1 | 16 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 304 | 15 | 0 | 0 | 6.5 | CCCCCCCCCCCCCCCC[n+]1ccccc1 | nan | ||
| 2745 | 3832 | 42 | None | -35 | 9 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | 10.1016/s0960-894x(98)00351-5 | ||
| 5572 | 3832 | 42 | None | -35 | 9 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | 10.1016/s0960-894x(98)00351-5 | ||
| 66007 | 3832 | 42 | None | -35 | 9 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | 10.1016/s0960-894x(98)00351-5 | ||
| 7315 | 3832 | 42 | None | -35 | 9 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | 10.1016/s0960-894x(98)00351-5 | ||
| CHEMBL1490 | 3832 | 42 | None | -35 | 9 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | 10.1016/s0960-894x(98)00351-5 | ||
| DB00376 | 3832 | 42 | None | -35 | 9 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | 10.1016/s0960-894x(98)00351-5 | ||
| 14660293 | 52623 | 3 | None | - | 0 | Human | 4.0 | pIC50 | = | 4 | Binding | ChEMBL | 191 | 0 | 1 | 4 | 1.3 | c1cc2nsnc2c2c1CCNC2 | 10.1021/jm9705216 | ||
| CHEMBL15936 | 52623 | 3 | None | - | 0 | Human | 4.0 | pIC50 | = | 4 | Binding | ChEMBL | 191 | 0 | 1 | 4 | 1.3 | c1cc2nsnc2c2c1CCNC2 | 10.1021/jm9705216 | ||
| 10354348 | 98854 | 0 | None | - | 0 | Human | 4.0 | pIC50 | = | 4 | Binding | ChEMBL | 241 | 2 | 0 | 5 | 2.4 | CSc1nsnc1C1=C(C)CCN(C)C1 | 10.1021/jm9705216 | ||
| CHEMBL279105 | 98854 | 0 | None | - | 0 | Human | 4.0 | pIC50 | = | 4 | Binding | ChEMBL | 241 | 2 | 0 | 5 | 2.4 | CSc1nsnc1C1=C(C)CCN(C)C1 | 10.1021/jm9705216 | ||
| 324 | 1912 | 15 | None | -138 | 9 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 345 | 2 | 0 | 3 | 4.4 | C[C@@H]1OC(=O)[C@@H]2[C@H]1[C@H](/C=C/[C@H]1CCC[C@@H](N1C)C)[C@H]1CCCC[C@@H]1C2 | 10.1016/s0960-894x(98)00351-5 | ||
| 6436265 | 1912 | 15 | None | -138 | 9 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 345 | 2 | 0 | 3 | 4.4 | C[C@@H]1OC(=O)[C@@H]2[C@H]1[C@H](/C=C/[C@H]1CCC[C@@H](N1C)C)[C@H]1CCCC[C@@H]1C2 | 10.1016/s0960-894x(98)00351-5 | ||
| CHEMBL277642 | 1912 | 15 | None | -138 | 9 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 345 | 2 | 0 | 3 | 4.4 | C[C@@H]1OC(=O)[C@@H]2[C@H]1[C@H](/C=C/[C@H]1CCC[C@@H](N1C)C)[C@H]1CCCC[C@@H]1C2 | 10.1016/s0960-894x(98)00351-5 | ||
| CHEMBL5272946 | 193715 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 370 | 1 | 0 | 5 | 2.5 | O=C(N1CCN2CCC1CC2)n1nc(-c2ccc(F)cc2)c2c1COCC2 | 10.1021/acsmedchemlett.2c00441 | ||
| CHEMBL5275403 | 194622 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 410 | 1 | 0 | 7 | 1.9 | O=C(N1CCN2CCC1CC2)n1nc(-n2cc(C(F)(F)F)cn2)c2c1COCC2 | 10.1021/acsmedchemlett.2c00441 | ||
| CHEMBL5315753 | 194622 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 410 | 1 | 0 | 7 | 1.9 | O=C(N1CCN2CCC1CC2)n1nc(-n2cc(C(F)(F)F)cn2)c2c1COCC2 | 10.1021/acsmedchemlett.2c00441 | ||
| 1210 | 915 | 51 | None | -91 | 21 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| 1213 | 915 | 51 | None | -91 | 21 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| 2725 | 915 | 51 | None | -91 | 21 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| 33036 | 915 | 51 | None | -91 | 21 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| 4411 | 915 | 51 | None | -91 | 21 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| 616 | 915 | 51 | None | -91 | 21 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| 6976 | 915 | 51 | None | -91 | 21 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| 716121 | 915 | 51 | None | -91 | 21 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| 90475904 | 915 | 51 | None | -91 | 21 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| CHEMBL1201353 | 915 | 51 | None | -91 | 21 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| CHEMBL1554789 | 915 | 51 | None | -91 | 21 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| CHEMBL505 | 915 | 51 | None | -91 | 21 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| DB01114 | 915 | 51 | None | -91 | 21 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| DB13679 | 915 | 51 | None | -91 | 21 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| 4841 | 67397 | 5 | None | -9 | 5 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 368 | 7 | 1 | 3 | 3.5 | CC[N+]1(CCOC(=O)C(O)(c2ccccc2)c2ccccc2)CCCCC1 | nan | ||
| CHEMBL1889399 | 67397 | 5 | None | -9 | 5 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 368 | 7 | 1 | 3 | 3.5 | CC[N+]1(CCOC(=O)C(O)(c2ccccc2)c2ccccc2)CCCCC1 | nan | ||
| CHEMBL1909073 | 67397 | 5 | None | -9 | 5 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 368 | 7 | 1 | 3 | 3.5 | CC[N+]1(CCOC(=O)C(O)(c2ccccc2)c2ccccc2)CCCCC1 | nan | ||
| 4746 | 204868 | 31 | None | -1 | 4 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 277 | 4 | 1 | 1 | 5.3 | C1CCC(C(CC2CCCCN2)C2CCCCC2)CC1 | nan | ||
| CHEMBL1334033 | 204868 | 31 | None | -1 | 4 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 277 | 4 | 1 | 1 | 5.3 | C1CCC(C(CC2CCCCN2)C2CCCCC2)CC1 | nan | ||
| CHEMBL75880 | 204868 | 31 | None | -1 | 4 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 277 | 4 | 1 | 1 | 5.3 | C1CCC(C(CC2CCCCN2)C2CCCCC2)CC1 | nan | ||
| 10594386 | 11386 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 355 | 7 | 0 | 3 | 4.9 | CCN1CC=C(c2ccccc2)C(C(=O)OCCCC2CCCCC2)C1 | 10.1021/jm980067l | ||
| CHEMBL1180249 | 11386 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 355 | 7 | 0 | 3 | 4.9 | CCN1CC=C(c2ccccc2)C(C(=O)OCCCC2CCCCC2)C1 | 10.1021/jm980067l | ||
| CHEMBL118553 | 11386 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 355 | 7 | 0 | 3 | 4.9 | CCN1CC=C(c2ccccc2)C(C(=O)OCCCC2CCCCC2)C1 | 10.1021/jm980067l | ||
| 12488 | 1644 | 56 | None | -12 | 23 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 404 | 6 | 0 | 2 | 5.4 | C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F | nan | ||
| 941361 | 1644 | 56 | None | -12 | 23 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 404 | 6 | 0 | 2 | 5.4 | C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F | nan | ||
| CHEMBL30008 | 1644 | 56 | None | -12 | 23 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 404 | 6 | 0 | 2 | 5.4 | C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F | nan | ||
| DB04841 | 1644 | 56 | None | -12 | 23 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 404 | 6 | 0 | 2 | 5.4 | C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F | nan | ||
| 162523114 | 192686 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 443 | 4 | 1 | 6 | 3.3 | O=C(Nc1ccc2scnc2c1)C1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)CC1 | 10.1016/j.bmcl.2022.129021 | ||
| CHEMBL5219691 | 192686 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 443 | 4 | 1 | 6 | 3.3 | O=C(Nc1ccc2scnc2c1)C1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)CC1 | 10.1016/j.bmcl.2022.129021 | ||
| 10547222 | 114760 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 371 | 12 | 0 | 3 | 5.7 | CCCCCCCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 | 10.1021/jm980067l | ||
| CHEMBL333940 | 114760 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 371 | 12 | 0 | 3 | 5.7 | CCCCCCCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 | 10.1021/jm980067l | ||
| 10516408 | 11409 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 273 | 5 | 0 | 3 | 3.0 | CCCOC(=O)C1CN(CC)CC=C1c1ccccc1 | 10.1021/jm980067l | ||
| CHEMBL1180330 | 11409 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 273 | 5 | 0 | 3 | 3.0 | CCCOC(=O)C1CN(CC)CC=C1c1ccccc1 | 10.1021/jm980067l | ||
| CHEMBL122353 | 11409 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 273 | 5 | 0 | 3 | 3.0 | CCCOC(=O)C1CN(CC)CC=C1c1ccccc1 | 10.1021/jm980067l | ||
| 9905467 | 11404 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 327 | 5 | 0 | 3 | 4.3 | CCN1CCC(c2ccccc2)=C(C(=O)OCC2CCCCC2)C1 | 10.1021/jm980067l | ||
| CHEMBL1180316 | 11404 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 327 | 5 | 0 | 3 | 4.3 | CCN1CCC(c2ccccc2)=C(C(=O)OCC2CCCCC2)C1 | 10.1021/jm980067l | ||
| CHEMBL121520 | 11404 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 327 | 5 | 0 | 3 | 4.3 | CCN1CCC(c2ccccc2)=C(C(=O)OCC2CCCCC2)C1 | 10.1021/jm980067l | ||
| 3055 | 1421 | 44 | None | -3 | 9 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 309 | 6 | 1 | 2 | 4.2 | OC(c1ccccc1)(c1ccccc1)CCCN1CCCCC1 | nan | ||
| 313 | 1421 | 44 | None | -3 | 9 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 309 | 6 | 1 | 2 | 4.2 | OC(c1ccccc1)(c1ccccc1)CCCN1CCCCC1 | nan | ||
| 7163 | 1421 | 44 | None | -3 | 9 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 309 | 6 | 1 | 2 | 4.2 | OC(c1ccccc1)(c1ccccc1)CCCN1CCCCC1 | nan | ||
| CHEMBL936 | 1421 | 44 | None | -3 | 9 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 309 | 6 | 1 | 2 | 4.2 | OC(c1ccccc1)(c1ccccc1)CCCN1CCCCC1 | nan | ||
| DB01231 | 1421 | 44 | None | -3 | 9 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 309 | 6 | 1 | 2 | 4.2 | OC(c1ccccc1)(c1ccccc1)CCCN1CCCCC1 | nan | ||
| 2745 | 3832 | 42 | None | -35 | 9 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | nan | ||
| 5572 | 3832 | 42 | None | -35 | 9 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | nan | ||
| 66007 | 3832 | 42 | None | -35 | 9 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | nan | ||
| 7315 | 3832 | 42 | None | -35 | 9 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | nan | ||
| CHEMBL1490 | 3832 | 42 | None | -35 | 9 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | nan | ||
| DB00376 | 3832 | 42 | None | -35 | 9 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | nan | ||
| 13457440 | 203353 | 0 | None | - | 0 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 280 | 3 | 0 | 2 | 3.4 | CN(C)CC1c2ccccc2C(c2ccccc2)CN1C | 10.1021/jm00374a011 | ||
| CHEMBL6528 | 203353 | 0 | None | - | 0 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 280 | 3 | 0 | 2 | 3.4 | CN(C)CC1c2ccccc2C(c2ccccc2)CN1C | 10.1021/jm00374a011 | ||
| 656392 | 183776 | 3 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 255 | 5 | 1 | 4 | 1.4 | CC[C@@H](C)[C@@H](O)C(=O)OC[C@H]1CCN2CCC[C@@H]12 | 10.1021/np049650x | ||
| CHEMBL480464 | 183776 | 3 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 255 | 5 | 1 | 4 | 1.4 | CC[C@@H](C)[C@@H](O)C(=O)OC[C@H]1CCN2CCC[C@@H]12 | 10.1021/np049650x | ||
| 43815 | 186896 | 64 | None | -14 | 25 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 329 | 4 | 1 | 4 | 3.3 | Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1 | nan | ||
| CHEMBL1708 | 186896 | 64 | None | -14 | 25 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 329 | 4 | 1 | 4 | 3.3 | Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1 | nan | ||
| CHEMBL490 | 186896 | 64 | None | -14 | 25 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 329 | 4 | 1 | 4 | 3.3 | Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1 | nan | ||
| 10522202 | 11402 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 355 | 7 | 0 | 3 | 5.1 | CCN1CCC(c2ccccc2)=C(C(=O)OCCCC2CCCCC2)C1 | 10.1021/jm980067l | ||
| CHEMBL1180312 | 11402 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 355 | 7 | 0 | 3 | 5.1 | CCN1CCC(c2ccccc2)=C(C(=O)OCCCC2CCCCC2)C1 | 10.1021/jm980067l | ||
| CHEMBL121385 | 11402 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 355 | 7 | 0 | 3 | 5.1 | CCN1CCC(c2ccccc2)=C(C(=O)OCCCC2CCCCC2)C1 | 10.1021/jm980067l | ||
| 135398737 | 955 | 93 | None | -8 | 92 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | ||
| 38 | 955 | 93 | None | -8 | 92 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | ||
| 722 | 955 | 93 | None | -8 | 92 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | ||
| CHEMBL42 | 955 | 93 | None | -8 | 92 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | ||
| DB00363 | 955 | 93 | None | -8 | 92 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | ||
| 10468793 | 203488 | 0 | None | - | 0 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 278 | 1 | 0 | 2 | 3.1 | CN1CCN2CC(c3ccccc3)c3ccccc3C2C1 | 10.1021/jm00374a011 | ||
| CHEMBL6627 | 203488 | 0 | None | - | 0 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 278 | 1 | 0 | 2 | 3.1 | CN1CCN2CC(c3ccccc3)c3ccccc3C2C1 | 10.1021/jm00374a011 | ||
| 13457895 | 203661 | 0 | None | - | 0 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 292 | 2 | 0 | 2 | 3.5 | CCN1CCN2CC(c3ccccc3)c3ccccc3C2C1 | 10.1021/jm00374a011 | ||
| CHEMBL6747 | 203661 | 0 | None | - | 0 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 292 | 2 | 0 | 2 | 3.5 | CCN1CCN2CC(c3ccccc3)c3ccccc3C2C1 | 10.1021/jm00374a011 | ||
| 10611310 | 12091 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 259 | 4 | 0 | 3 | 2.7 | CCOC(=O)C1=C(c2ccccc2)CCN(CC)C1 | 10.1021/jm980067l | ||
| CHEMBL1184096 | 12091 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 259 | 4 | 0 | 3 | 2.7 | CCOC(=O)C1=C(c2ccccc2)CCN(CC)C1 | 10.1021/jm980067l | ||
| CHEMBL332335 | 12091 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 259 | 4 | 0 | 3 | 2.7 | CCOC(=O)C1=C(c2ccccc2)CCN(CC)C1 | 10.1021/jm980067l | ||
| 124 | 2960 | 47 | None | -109 | 33 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | nan | ||
| 2032 | 2960 | 47 | None | -109 | 33 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | nan | ||
| 4636 | 2960 | 47 | None | -109 | 33 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | nan | ||
| CHEMBL762 | 2960 | 47 | None | -109 | 33 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | nan | ||
| DB00935 | 2960 | 47 | None | -109 | 33 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | nan | ||
| 2335 | 11816 | 22 | None | -1 | 12 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | nan | ||
| 8478 | 11816 | 22 | None | -1 | 12 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | nan | ||
| CHEMBL1182210 | 11816 | 22 | None | -1 | 12 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | nan | ||
| CHEMBL221753 | 11816 | 22 | None | -1 | 12 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | nan | ||
| 9885114 | 119578 | 5 | None | -223 | 12 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 357 | 3 | 1 | 4 | 3.0 | O=C1COc2cc(CN3CCN(c4ccc(Cl)cc4)CC3)ccc2N1 | 10.1021/jm990277d | ||
| CHEMBL346389 | 119578 | 5 | None | -223 | 12 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 357 | 3 | 1 | 4 | 3.0 | O=C1COc2cc(CN3CCN(c4ccc(Cl)cc4)CC3)ccc2N1 | 10.1021/jm990277d | ||
| 1209 | 1645 | 75 | None | -45 | 32 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | nan | ||
| 203 | 1645 | 75 | None | -45 | 32 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | nan | ||
| 3386 | 1645 | 75 | None | -45 | 32 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | nan | ||
| CHEMBL41 | 1645 | 75 | None | -45 | 32 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | nan | ||
| DB00472 | 1645 | 75 | None | -45 | 32 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | nan | ||
| 10358345 | 11410 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 315 | 8 | 0 | 3 | 4.3 | CCCCCCOC(=O)C1=C(c2ccccc2)CCN(CC)C1 | 10.1021/jm980067l | ||
| CHEMBL1180331 | 11410 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 315 | 8 | 0 | 3 | 4.3 | CCCCCCOC(=O)C1=C(c2ccccc2)CCN(CC)C1 | 10.1021/jm980067l | ||
| CHEMBL122354 | 11410 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 315 | 8 | 0 | 3 | 4.3 | CCCCCCOC(=O)C1=C(c2ccccc2)CCN(CC)C1 | 10.1021/jm980067l | ||
| 10829928 | 12370 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 325 | 7 | 0 | 4 | 4.4 | CCCCCc1noc(C2=C(c3ccccc3)CCN(CC)C2)n1 | 10.1021/jm980067l | ||
| CHEMBL1185758 | 12370 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 325 | 7 | 0 | 4 | 4.4 | CCCCCc1noc(C2=C(c3ccccc3)CCN(CC)C2)n1 | 10.1021/jm980067l | ||
| CHEMBL431688 | 12370 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 325 | 7 | 0 | 4 | 4.4 | CCCCCc1noc(C2=C(c3ccccc3)CCN(CC)C2)n1 | 10.1021/jm980067l | ||
| 176 | 397 | 66 | None | -2 | 31 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | ||
| 2157 | 397 | 66 | None | -2 | 31 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | ||
| 2566 | 397 | 66 | None | -2 | 31 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | ||
| CHEMBL633 | 397 | 66 | None | -2 | 31 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | ||
| DB01118 | 397 | 66 | None | -2 | 31 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | ||
| 10499832 | 12103 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 377 | 9 | 0 | 3 | 5.0 | CCN1CC=C(c2ccccc2)C(C(=O)OCCCCCc2ccccc2)C1 | 10.1021/jm980067l | ||
| CHEMBL1184134 | 12103 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 377 | 9 | 0 | 3 | 5.0 | CCN1CC=C(c2ccccc2)C(C(=O)OCCCCCc2ccccc2)C1 | 10.1021/jm980067l | ||
| CHEMBL334093 | 12103 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 377 | 9 | 0 | 3 | 5.0 | CCN1CC=C(c2ccccc2)C(C(=O)OCCCCCc2ccccc2)C1 | 10.1021/jm980067l | ||
| 10614695 | 12125 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 307 | 4 | 0 | 3 | 3.8 | CCN1CCC(c2ccccc2)=C(C(=O)Oc2ccccc2)C1 | 10.1021/jm980067l | ||
| CHEMBL1184188 | 12125 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 307 | 4 | 0 | 3 | 3.8 | CCN1CCC(c2ccccc2)=C(C(=O)Oc2ccccc2)C1 | 10.1021/jm980067l | ||
| CHEMBL338280 | 12125 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 307 | 4 | 0 | 3 | 3.8 | CCN1CCC(c2ccccc2)=C(C(=O)Oc2ccccc2)C1 | 10.1021/jm980067l | ||
| 46891076 | 6676 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 344 | 4 | 2 | 2 | 3.8 | O=C(NCC1=CCNCC1)c1c(F)cccc1-c1cccc(Cl)c1 | 10.1016/j.bmcl.2010.04.127 | ||
| CHEMBL1083618 | 6676 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 344 | 4 | 2 | 2 | 3.8 | O=C(NCC1=CCNCC1)c1c(F)cccc1-c1cccc(Cl)c1 | 10.1016/j.bmcl.2010.04.127 | ||
| 10521205 | 11397 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 341 | 6 | 0 | 3 | 4.5 | CCN1CC=C(c2ccccc2)C(C(=O)OCCC2CCCCC2)C1 | 10.1021/jm980067l | ||
| CHEMBL1180298 | 11397 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 341 | 6 | 0 | 3 | 4.5 | CCN1CC=C(c2ccccc2)C(C(=O)OCCC2CCCCC2)C1 | 10.1021/jm980067l | ||
| CHEMBL120599 | 11397 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 341 | 6 | 0 | 3 | 4.5 | CCN1CC=C(c2ccccc2)C(C(=O)OCCC2CCCCC2)C1 | 10.1021/jm980067l | ||
| 4011 | 82379 | 49 | None | -15 | 24 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 277 | 4 | 1 | 1 | 4.2 | CNCCCC12CCC(c3ccccc31)c1ccccc12 | nan | ||
| CHEMBL21731 | 82379 | 49 | None | -15 | 24 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 277 | 4 | 1 | 1 | 4.2 | CNCCCC12CCC(c3ccccc31)c1ccccc12 | nan | ||
| 1224 | 1420 | 83 | None | -5 | 13 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | nan | ||
| 3100 | 1420 | 83 | None | -5 | 13 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | nan | ||
| 8980 | 1420 | 83 | None | -5 | 13 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | nan | ||
| 916 | 1420 | 83 | None | -5 | 13 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | nan | ||
| CHEMBL657 | 1420 | 83 | None | -5 | 13 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | nan | ||
| DB01075 | 1420 | 83 | None | -5 | 13 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | nan | ||
| 10567372 | 12099 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 315 | 8 | 0 | 3 | 4.1 | CCCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 | 10.1021/jm980067l | ||
| CHEMBL1160977 | 12099 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 315 | 8 | 0 | 3 | 4.1 | CCCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 | 10.1021/jm980067l | ||
| CHEMBL1184119 | 12099 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 315 | 8 | 0 | 3 | 4.1 | CCCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 | 10.1021/jm980067l | ||
| CHEMBL333065 | 12099 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 315 | 8 | 0 | 3 | 4.1 | CCCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 | 10.1021/jm980067l | ||
| 3013846 | 188215 | 2 | None | -9 | 5 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 757 | 23 | 5 | 11 | 5.9 | CCCCCCCCCCCC(OC(=O)C(CCCCN(O)C(C)=O)NC(=O)c1coc(-c2ccccc2O)n1)C(C)C(=O)NC1CCCCN(O)C1=O | 10.1021/np050091j | ||
| CHEMBL499519 | 188215 | 2 | None | -9 | 5 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 757 | 23 | 5 | 11 | 5.9 | CCCCCCCCCCCC(OC(=O)C(CCCCN(O)C(C)=O)NC(=O)c1coc(-c2ccccc2O)n1)C(C)C(=O)NC1CCCCN(O)C1=O | 10.1021/np050091j | ||
| 10567372 | 12099 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 315 | 8 | 0 | 3 | 4.1 | CCCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 | 10.1021/jm980067l | ||
| CHEMBL1160977 | 12099 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 315 | 8 | 0 | 3 | 4.1 | CCCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 | 10.1021/jm980067l | ||
| CHEMBL1184119 | 12099 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 315 | 8 | 0 | 3 | 4.1 | CCCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 | 10.1021/jm980067l | ||
| CHEMBL333065 | 12099 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 315 | 8 | 0 | 3 | 4.1 | CCCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 | 10.1021/jm980067l | ||
| 10538337 | 12079 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 245 | 3 | 0 | 3 | 2.2 | CCN1CC=C(c2ccccc2)C(C(=O)OC)C1 | 10.1021/jm980067l | ||
| CHEMBL1184062 | 12079 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 245 | 3 | 0 | 3 | 2.2 | CCN1CC=C(c2ccccc2)C(C(=O)OC)C1 | 10.1021/jm980067l | ||
| CHEMBL330885 | 12079 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 245 | 3 | 0 | 3 | 2.2 | CCN1CC=C(c2ccccc2)C(C(=O)OC)C1 | 10.1021/jm980067l | ||
| 44302833 | 102474 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 376 | 2 | 1 | 4 | 4.4 | CCOC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2cccc(C)c2C1O3 | 10.1016/s0960-894x(98)00351-5 | ||
| CHEMBL304036 | 102474 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 376 | 2 | 1 | 4 | 4.4 | CCOC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2cccc(C)c2C1O3 | 10.1016/s0960-894x(98)00351-5 | ||
| 1548953 | 207656 | 27 | None | -5 | 17 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 405 | 9 | 0 | 2 | 6.6 | CCN(CC)CCOc1ccc(/C(=C(/Cl)c2ccccc2)c2ccccc2)cc1 | nan | ||
| CHEMBL954 | 207656 | 27 | None | -5 | 17 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 405 | 9 | 0 | 2 | 6.6 | CCN(CC)CCOc1ccc(/C(=C(/Cl)c2ccccc2)c2ccccc2)cc1 | nan | ||
| 44302901 | 101029 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 320 | 1 | 1 | 3 | 3.9 | COc1ccc2c(c1)CCN1Cc3c(ccc4[nH]c(C)cc34)OC21 | 10.1016/s0960-894x(98)00351-5 | ||
| CHEMBL294726 | 101029 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 320 | 1 | 1 | 3 | 3.9 | COc1ccc2c(c1)CCN1Cc3c(ccc4[nH]c(C)cc34)OC21 | 10.1016/s0960-894x(98)00351-5 | ||
| CHEMBL5278126 | 193941 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 415 | 4 | 1 | 6 | 2.5 | O=C(Nc1ccc2scnc2c1)C1CN(S(=O)(=O)c2ccc3c(c2)CCO3)C1 | 10.1016/j.bmcl.2022.129021 | ||
| 13457908 | 203290 | 0 | None | - | 0 | Rat | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 320 | 4 | 0 | 2 | 4.3 | CCCCN1CCN2CC(c3ccccc3)c3ccccc3C2C1 | 10.1021/jm00374a011 | ||
| CHEMBL6482 | 203290 | 0 | None | - | 0 | Rat | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 320 | 4 | 0 | 2 | 4.3 | CCCCN1CCN2CC(c3ccccc3)c3ccccc3C2C1 | 10.1021/jm00374a011 | ||
| 10567372 | 12099 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 315 | 8 | 0 | 3 | 4.1 | CCCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 | 10.1021/jm980067l | ||
| CHEMBL1160977 | 12099 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 315 | 8 | 0 | 3 | 4.1 | CCCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 | 10.1021/jm980067l | ||
| CHEMBL1184119 | 12099 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 315 | 8 | 0 | 3 | 4.1 | CCCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 | 10.1021/jm980067l | ||
| CHEMBL333065 | 12099 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 315 | 8 | 0 | 3 | 4.1 | CCCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 | 10.1021/jm980067l | ||
| 10757736 | 14472 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 315 | 4 | 0 | 3 | 4.0 | CCN1CC[C@@H](c2ccccc2)[C@@H](C(=O)OC2CCCCC2)C1 | 10.1021/jm980067l | ||
| CHEMBL120135 | 14472 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 315 | 4 | 0 | 3 | 4.0 | CCN1CC[C@@H](c2ccccc2)[C@@H](C(=O)OC2CCCCC2)C1 | 10.1021/jm980067l | ||
| CHEMBL5274220 | 193779 | 0 | None | - | 0 | Rat | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 443 | 4 | 1 | 6 | 3.1 | C[C@H]1CN(S(=O)(=O)c2ccc3c(c2)CCO3)C[C@@H]1C(=O)Nc1ccc2scnc2c1 | 10.1016/j.bmcl.2022.129021 | ||
| 10569816 | 11427 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 349 | 6 | 0 | 3 | 4.1 | CCN1CC=C(c2ccccc2)C(C(=O)OCCc2ccc(C)cc2)C1 | 10.1021/jm980067l | ||
| CHEMBL1180367 | 11427 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 349 | 6 | 0 | 3 | 4.1 | CCN1CC=C(c2ccccc2)C(C(=O)OCCc2ccc(C)cc2)C1 | 10.1021/jm980067l | ||
| CHEMBL124173 | 11427 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 349 | 6 | 0 | 3 | 4.1 | CCN1CC=C(c2ccccc2)C(C(=O)OCCc2ccc(C)cc2)C1 | 10.1021/jm980067l | ||
| 135 | 2515 | 43 | None | - | 58 | Rat | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 10.1021/jm00374a011 | ||
| 1796 | 2515 | 43 | None | - | 58 | Rat | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 10.1021/jm00374a011 | ||
| 4184 | 2515 | 43 | None | - | 58 | Rat | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 10.1021/jm00374a011 | ||
| CHEMBL6437 | 2515 | 43 | None | - | 58 | Rat | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 10.1021/jm00374a011 | ||
| DB06148 | 2515 | 43 | None | - | 58 | Rat | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 10.1021/jm00374a011 | ||
| 10937901 | 9878 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 385 | 3 | 1 | 6 | 4.0 | Oc1nc2ccccc2n1C1CCN(Cc2cc3c(cc2Cl)OCO3)CC1 | 10.1021/jm010878g | ||
| CHEMBL114379 | 9878 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 385 | 3 | 1 | 6 | 4.0 | Oc1nc2ccccc2n1C1CCN(Cc2cc3c(cc2Cl)OCO3)CC1 | 10.1021/jm010878g | ||
| 10806268 | 12105 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 329 | 9 | 0 | 3 | 4.7 | CCCCCCCOC(=O)C1=C(c2ccccc2)CCN(CC)C1 | 10.1021/jm980067l | ||
| CHEMBL1184139 | 12105 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 329 | 9 | 0 | 3 | 4.7 | CCCCCCCOC(=O)C1=C(c2ccccc2)CCN(CC)C1 | 10.1021/jm980067l | ||
| CHEMBL334245 | 12105 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 329 | 9 | 0 | 3 | 4.7 | CCCCCCCOC(=O)C1=C(c2ccccc2)CCN(CC)C1 | 10.1021/jm980067l | ||
| 180081 | 99610 | 39 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 221 | 0 | 1 | 1 | 3.2 | C[C@]12N[C@H](Cc3ccccc31)c1ccccc12 | 10.1021/jm058018d | ||
| CHEMBL284237 | 99610 | 39 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 221 | 0 | 1 | 1 | 3.2 | C[C@]12N[C@H](Cc3ccccc31)c1ccccc12 | 10.1021/jm058018d | ||
| 1201549 | 594 | 24 | None | -3 | 20 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | ||
| 333 | 594 | 24 | None | -3 | 20 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | ||
| 7601 | 594 | 24 | None | -3 | 20 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | ||
| CHEMBL1201203 | 594 | 24 | None | -3 | 20 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | ||
| CHEMBL438151 | 594 | 24 | None | -3 | 20 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | ||
| DB00245 | 594 | 24 | None | -3 | 20 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | ||
| 316 | 2816 | 19 | None | -9 | 9 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1016/s0960-894x(98)00351-5 | ||
| 317 | 2816 | 19 | None | -9 | 9 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1016/s0960-894x(98)00351-5 | ||
| 71183 | 2816 | 19 | None | -9 | 9 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1016/s0960-894x(98)00351-5 | ||
| CHEMBL3140030 | 2816 | 19 | None | -9 | 9 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1016/s0960-894x(98)00351-5 | ||
| CHEMBL376897 | 2816 | 19 | None | -9 | 9 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1016/s0960-894x(98)00351-5 | ||
| DB00462 | 2816 | 19 | None | -9 | 9 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1016/s0960-894x(98)00351-5 | ||
| 3042 | 1402 | 35 | None | -2 | 15 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | nan | ||
| 355 | 1402 | 35 | None | -2 | 15 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | nan | ||
| 868 | 1402 | 35 | None | -2 | 15 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | nan | ||
| CHEMBL1123 | 1402 | 35 | None | -2 | 15 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | nan | ||
| DB00804 | 1402 | 35 | None | -2 | 15 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | nan | ||
| 13457913 | 203499 | 0 | None | - | 0 | Rat | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 348 | 6 | 0 | 2 | 5.1 | CCCCCCN1CCN2CC(c3ccccc3)c3ccccc3C2C1 | 10.1021/jm00374a011 | ||
| CHEMBL6638 | 203499 | 0 | None | - | 0 | Rat | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 348 | 6 | 0 | 2 | 5.1 | CCCCCCN1CCN2CC(c3ccccc3)c3ccccc3C2C1 | 10.1021/jm00374a011 | ||
| 44302834 | 202687 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 454 | 4 | 1 | 5 | 5.9 | CCOC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2cc(Oc4ccccc4)ccc2C1O3 | 10.1016/s0960-894x(98)00351-5 | ||
| CHEMBL61700 | 202687 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 454 | 4 | 1 | 5 | 5.9 | CCOC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2cc(Oc4ccccc4)ccc2C1O3 | 10.1016/s0960-894x(98)00351-5 | ||
| 10782321 | 12092 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 325 | 7 | 0 | 4 | 4.3 | CCCCCc1noc(C2CN(CC)CC=C2c2ccccc2)n1 | 10.1021/jm980067l | ||
| CHEMBL1184098 | 12092 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 325 | 7 | 0 | 4 | 4.3 | CCCCCc1noc(C2CN(CC)CC=C2c2ccccc2)n1 | 10.1021/jm980067l | ||
| CHEMBL332405 | 12092 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 325 | 7 | 0 | 4 | 4.3 | CCCCCc1noc(C2CN(CC)CC=C2c2ccccc2)n1 | 10.1021/jm980067l | ||
| CHEMBL5266790 | 193609 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 429 | 4 | 1 | 6 | 2.9 | O=C(Nc1ccc2scnc2c1)[C@@H]1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)C1 | 10.1016/j.bmcl.2022.129021 | ||
| CHEMBL5270452 | 193609 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 429 | 4 | 1 | 6 | 2.9 | O=C(Nc1ccc2scnc2c1)[C@@H]1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)C1 | 10.1016/j.bmcl.2022.129021 | ||
| 13457938 | 194844 | 0 | None | - | 0 | Rat | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 294 | 1 | 1 | 3 | 2.8 | CN1CCN2CC(c3ccc(O)cc3)c3ccccc3C2C1 | 10.1021/jm00374a011 | ||
| CHEMBL540195 | 194844 | 0 | None | - | 0 | Rat | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 294 | 1 | 1 | 3 | 2.8 | CN1CCN2CC(c3ccc(O)cc3)c3ccccc3C2C1 | 10.1021/jm00374a011 | ||
| 10082470 | 52687 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 227 | 2 | 0 | 5 | 2.0 | CSc1nsnc1C1=CCCN(C)C1 | 10.1021/jm9705216 | ||
| CHEMBL15944 | 52687 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 227 | 2 | 0 | 5 | 2.0 | CSc1nsnc1C1=CCCN(C)C1 | 10.1021/jm9705216 | ||
| CHEMBL308608 | 52687 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 227 | 2 | 0 | 5 | 2.0 | CSc1nsnc1C1=CCCN(C)C1 | 10.1021/jm9705216 | ||
| 10782462 | 12082 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 327 | 5 | 0 | 3 | 4.1 | CCN1CC=C(c2ccccc2)C(C(=O)OCC2CCCCC2)C1 | 10.1021/jm980067l | ||
| CHEMBL1184068 | 12082 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 327 | 5 | 0 | 3 | 4.1 | CCN1CC=C(c2ccccc2)C(C(=O)OCC2CCCCC2)C1 | 10.1021/jm980067l | ||
| CHEMBL330999 | 12082 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 327 | 5 | 0 | 3 | 4.1 | CCN1CC=C(c2ccccc2)C(C(=O)OCC2CCCCC2)C1 | 10.1021/jm980067l | ||
| 2274 | 3151 | 58 | None | -15 | 32 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | ||
| 4917 | 3151 | 58 | None | -15 | 32 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | ||
| 7279 | 3151 | 58 | None | -15 | 32 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | ||
| CHEMBL728 | 3151 | 58 | None | -15 | 32 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | ||
| DB00433 | 3151 | 58 | None | -15 | 32 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | ||
| 10686988 | 12157 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 317 | 8 | 0 | 3 | 4.2 | CCCCCCOC(=O)[C@H]1CN(CC)CC[C@H]1c1ccccc1 | 10.1021/jm980067l | ||
| CHEMBL1184244 | 12157 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 317 | 8 | 0 | 3 | 4.2 | CCCCCCOC(=O)[C@H]1CN(CC)CC[C@H]1c1ccccc1 | 10.1021/jm980067l | ||
| CHEMBL340780 | 12157 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 317 | 8 | 0 | 3 | 4.2 | CCCCCCOC(=O)[C@H]1CN(CC)CC[C@H]1c1ccccc1 | 10.1021/jm980067l | ||
| 3168 | 9230 | 92 | None | -147 | 22 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 379 | 6 | 1 | 4 | 3.7 | O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1 | nan | ||
| CHEMBL1108 | 9230 | 92 | None | -147 | 22 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 379 | 6 | 1 | 4 | 3.7 | O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1 | nan | ||
| 10846833 | 49775 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 225 | 0 | 0 | 5 | 1.7 | CN1CCC2=C(C1)c1nsnc1SC2 | 10.1021/jm9705216 | ||
| CHEMBL15675 | 49775 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 225 | 0 | 0 | 5 | 1.7 | CN1CCC2=C(C1)c1nsnc1SC2 | 10.1021/jm9705216 | ||
| 10785471 | 113689 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 371 | 12 | 0 | 3 | 5.9 | CCCCCCCCCCOC(=O)C1=C(c2ccccc2)CCN(CC)C1 | 10.1021/jm980067l | ||
| CHEMBL332320 | 113689 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 371 | 12 | 0 | 3 | 5.9 | CCCCCCCCCCOC(=O)C1=C(c2ccccc2)CCN(CC)C1 | 10.1021/jm980067l | ||
| 10760249 | 11391 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 349 | 6 | 0 | 3 | 4.3 | CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc(C)cc2)C1 | 10.1021/jm301774u | ||
| CHEMBL1180285 | 11391 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 349 | 6 | 0 | 3 | 4.3 | CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc(C)cc2)C1 | 10.1021/jm301774u | ||
| CHEMBL120119 | 11391 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 349 | 6 | 0 | 3 | 4.3 | CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc(C)cc2)C1 | 10.1021/jm301774u | ||
| 10760249 | 11391 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 349 | 6 | 0 | 3 | 4.3 | CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc(C)cc2)C1 | 10.1021/jm980067l | ||
| CHEMBL1180285 | 11391 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 349 | 6 | 0 | 3 | 4.3 | CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc(C)cc2)C1 | 10.1021/jm980067l | ||
| CHEMBL120119 | 11391 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 349 | 6 | 0 | 3 | 4.3 | CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc(C)cc2)C1 | 10.1021/jm980067l | ||
| 162523114 | 192686 | 0 | None | - | 0 | Rat | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 443 | 4 | 1 | 6 | 3.3 | O=C(Nc1ccc2scnc2c1)C1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)CC1 | 10.1016/j.bmcl.2022.129021 | ||
| CHEMBL5219691 | 192686 | 0 | None | - | 0 | Rat | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 443 | 4 | 1 | 6 | 3.3 | O=C(Nc1ccc2scnc2c1)C1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)CC1 | 10.1016/j.bmcl.2022.129021 | ||
| 2726 | 916 | 68 | None | -10 | 73 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
| 621 | 916 | 68 | None | -10 | 73 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
| 83 | 916 | 68 | None | -10 | 73 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
| CHEMBL71 | 916 | 68 | None | -10 | 73 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
| DB00477 | 916 | 68 | None | -10 | 73 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
| 2551 | 791 | 23 | None | -204 | 11 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/s0960-894x(98)00351-5 | ||
| 298 | 791 | 23 | None | -204 | 11 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/s0960-894x(98)00351-5 | ||
| 488 | 791 | 23 | None | -204 | 11 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/s0960-894x(98)00351-5 | ||
| CHEMBL965 | 791 | 23 | None | -204 | 11 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/s0960-894x(98)00351-5 | ||
| DB00411 | 791 | 23 | None | -204 | 11 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/s0960-894x(98)00351-5 | ||
| 10684720 | 12062 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 287 | 6 | 0 | 3 | 3.5 | CCCCOC(=O)C1=C(c2ccccc2)CCN(CC)C1 | 10.1021/jm980067l | ||
| CHEMBL1183926 | 12062 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 287 | 6 | 0 | 3 | 3.5 | CCCCOC(=O)C1=C(c2ccccc2)CCN(CC)C1 | 10.1021/jm980067l | ||
| CHEMBL324712 | 12062 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 287 | 6 | 0 | 3 | 3.5 | CCCCOC(=O)C1=C(c2ccccc2)CCN(CC)C1 | 10.1021/jm980067l | ||
| 10593954 | 13044 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 349 | 7 | 0 | 3 | 4.2 | CCN1CC=C(c2ccccc2)C(C(=O)OCCCc2ccccc2)C1 | 10.1021/jm980067l | ||
| CHEMBL1190178 | 13044 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 349 | 7 | 0 | 3 | 4.2 | CCN1CC=C(c2ccccc2)C(C(=O)OCCCc2ccccc2)C1 | 10.1021/jm980067l | ||
| CHEMBL540316 | 13044 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 349 | 7 | 0 | 3 | 4.2 | CCN1CC=C(c2ccccc2)C(C(=O)OCCCc2ccccc2)C1 | 10.1021/jm980067l | ||
| 1016 | 3720 | 78 | None | -19 | 35 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | ||
| 2561 | 3720 | 78 | None | -19 | 35 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | ||
| 2733526 | 3720 | 78 | None | -19 | 35 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | ||
| 5384 | 3720 | 78 | None | -19 | 35 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | ||
| CHEMBL83 | 3720 | 78 | None | -19 | 35 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | ||
| DB00675 | 3720 | 78 | None | -19 | 35 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | ||
| 3158 | 56237 | 27 | None | -131 | 20 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 279 | 3 | 0 | 2 | 4.0 | CN(C)CCC=C1c2ccccc2COc2ccccc21 | nan | ||
| CHEMBL1628227 | 56237 | 27 | None | -131 | 20 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 279 | 3 | 0 | 2 | 4.0 | CN(C)CCC=C1c2ccccc2COc2ccccc21 | nan | ||
| 13457435 | 203519 | 0 | None | - | 0 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 252 | 3 | 2 | 2 | 2.7 | CNCC1NCC(c2ccccc2)c2ccccc21 | 10.1021/jm00374a011 | ||
| CHEMBL6649 | 203519 | 0 | None | - | 0 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 252 | 3 | 2 | 2 | 2.7 | CNCC1NCC(c2ccccc2)c2ccccc21 | 10.1021/jm00374a011 | ||
| 49853884 | 90654 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 265 | 3 | 1 | 3 | 1.2 | O=C(CN1CCN2CCC[C@H]2C1)NC1CCCCC1 | 10.1016/j.bmc.2013.02.058 | ||
| CHEMBL2391353 | 90654 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 265 | 3 | 1 | 3 | 1.2 | O=C(CN1CCN2CCC[C@H]2C1)NC1CCCCC1 | 10.1016/j.bmc.2013.02.058 | ||
| 5318 | 15544 | 49 | None | -1 | 13 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 396 | 6 | 0 | 3 | 6.5 | Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | ||
| CHEMBL1200348 | 15544 | 49 | None | -1 | 13 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 396 | 6 | 0 | 3 | 6.5 | Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | ||
| CHEMBL1221 | 15544 | 49 | None | -1 | 13 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 396 | 6 | 0 | 3 | 6.5 | Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | ||
| 10755732 | 12089 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 287 | 6 | 0 | 3 | 3.4 | CCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 | 10.1021/jm980067l | ||
| CHEMBL1184092 | 12089 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 287 | 6 | 0 | 3 | 3.4 | CCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 | 10.1021/jm980067l | ||
| CHEMBL332181 | 12089 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 287 | 6 | 0 | 3 | 3.4 | CCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 | 10.1021/jm980067l | ||
| 44302728 | 198690 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 422 | 4 | 1 | 6 | 4.1 | CCOC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2cc(OC)c(OC)cc2C1O3 | 10.1016/s0960-894x(98)00351-5 | ||
| CHEMBL58228 | 198690 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 422 | 4 | 1 | 6 | 4.1 | CCOC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2cc(OC)c(OC)cc2C1O3 | 10.1016/s0960-894x(98)00351-5 | ||
| 1971 | 2846 | 38 | None | -4 | 30 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | nan | ||
| 2404 | 2846 | 38 | None | -4 | 30 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | nan | ||
| 4543 | 2846 | 38 | None | -4 | 30 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | nan | ||
| CHEMBL445 | 2846 | 38 | None | -4 | 30 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | nan | ||
| DB00540 | 2846 | 38 | None | -4 | 30 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | nan | ||
| CHEMBL5289488 | 194445 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 441 | 4 | 1 | 6 | 2.9 | O=C(Nc1ccc2scnc2c1)C12CC1CN(S(=O)(=O)c1ccc3c(c1)CCO3)C2 | 10.1016/j.bmcl.2022.129021 | ||
| 10591874 | 13284 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 321 | 5 | 0 | 3 | 3.9 | CCN1CCC(c2ccccc2)=C(C(=O)OCc2ccccc2)C1 | 10.1021/jm980067l | ||
| CHEMBL1192001 | 13284 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 321 | 5 | 0 | 3 | 3.9 | CCN1CCC(c2ccccc2)=C(C(=O)OCc2ccccc2)C1 | 10.1021/jm980067l | ||
| CHEMBL543177 | 13284 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 321 | 5 | 0 | 3 | 3.9 | CCN1CCC(c2ccccc2)=C(C(=O)OCc2ccccc2)C1 | 10.1021/jm980067l | ||
| 4601 | 206724 | 35 | None | -1 | 17 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 269 | 6 | 0 | 2 | 3.7 | Cc1ccccc1C(OCCN(C)C)c1ccccc1 | nan | ||
| CHEMBL1201023 | 206724 | 35 | None | -1 | 17 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 269 | 6 | 0 | 2 | 3.7 | Cc1ccccc1C(OCCN(C)C)c1ccccc1 | nan | ||
| CHEMBL900 | 206724 | 35 | None | -1 | 17 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 269 | 6 | 0 | 2 | 3.7 | Cc1ccccc1C(OCCN(C)C)c1ccccc1 | nan | ||
| 4735 | 195092 | 96 | None | -17 | 10 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 340 | 10 | 4 | 4 | 2.9 | N=C(N)c1ccc(OCCCCCOc2ccc(C(=N)N)cc2)cc1 | nan | ||
| CHEMBL361506 | 195092 | 96 | None | -17 | 10 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 340 | 10 | 4 | 4 | 2.9 | N=C(N)c1ccc(OCCCCCOc2ccc(C(=N)N)cc2)cc1 | nan | ||
| CHEMBL55 | 195092 | 96 | None | -17 | 10 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 340 | 10 | 4 | 4 | 2.9 | N=C(N)c1ccc(OCCCCCOc2ccc(C(=N)N)cc2)cc1 | nan | ||
| CHEMBL5274958 | 193808 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 444 | 4 | 1 | 7 | 3.6 | O=C(Nc1ccc2scnc2c1)[C@@H]1CCN(S(=O)(=O)c2ccc3ncsc3c2)C1 | 10.1016/j.bmcl.2022.129021 | ||
| 124087 | 1377 | 114 | None | -14 | 15 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | nan | ||
| 7157 | 1377 | 114 | None | -14 | 15 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | nan | ||
| 814 | 1377 | 114 | None | -14 | 15 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | nan | ||
| CHEMBL1172 | 1377 | 114 | None | -14 | 15 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | nan | ||
| DB00967 | 1377 | 114 | None | -14 | 15 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | nan | ||
| 10852843 | 11892 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 315 | 4 | 0 | 3 | 4.0 | CCN1CC[C@@H](c2ccccc2)[C@H](C(=O)OC2CCCCC2)C1 | 10.1021/jm980067l | ||
| CHEMBL1182713 | 11892 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 315 | 4 | 0 | 3 | 4.0 | CCN1CC[C@@H](c2ccccc2)[C@H](C(=O)OC2CCCCC2)C1 | 10.1021/jm980067l | ||
| CHEMBL262303 | 11892 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 315 | 4 | 0 | 3 | 4.0 | CCN1CC[C@@H](c2ccccc2)[C@H](C(=O)OC2CCCCC2)C1 | 10.1021/jm980067l | ||
| 2028 | 2958 | 80 | None | -5 | 11 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | nan | ||
| 359 | 2958 | 80 | None | -5 | 11 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | nan | ||
| 4634 | 2958 | 80 | None | -5 | 11 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | nan | ||
| CHEMBL1231 | 2958 | 80 | None | -5 | 11 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | nan | ||
| DB01062 | 2958 | 80 | None | -5 | 11 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | nan | ||
| 277 | 1289 | 62 | None | -7 | 46 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | ||
| 2913 | 1289 | 62 | None | -7 | 46 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | ||
| 765 | 1289 | 62 | None | -7 | 46 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | ||
| CHEMBL516 | 1289 | 62 | None | -7 | 46 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | ||
| DB00434 | 1289 | 62 | None | -7 | 46 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | ||
| 25070582 | 61424 | 28 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 239 | 2 | 1 | 3 | 1.8 | c1ccc(Cc2ncc3c(n2)CCNCC3)cc1 | 10.1016/j.bmcl.2010.11.120 | ||
| CHEMBL1770373 | 61424 | 28 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 239 | 2 | 1 | 3 | 1.8 | c1ccc(Cc2ncc3c(n2)CCNCC3)cc1 | 10.1016/j.bmcl.2010.11.120 | ||
| 1427 | 2000 | 54 | None | - | 27 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | 10.1021/jm00374a011 | ||
| 357 | 2000 | 54 | None | - | 27 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | 10.1021/jm00374a011 | ||
| 3696 | 2000 | 54 | None | - | 27 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | 10.1021/jm00374a011 | ||
| CHEMBL11 | 2000 | 54 | None | - | 27 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | 10.1021/jm00374a011 | ||
| DB00458 | 2000 | 54 | None | - | 27 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | 10.1021/jm00374a011 | ||
| 2337 | 3232 | 77 | None | -57 | 63 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | nan | ||
| 50 | 3232 | 77 | None | -57 | 63 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | nan | ||
| 5002 | 3232 | 77 | None | -57 | 63 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | nan | ||
| CHEMBL716 | 3232 | 77 | None | -57 | 63 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | nan | ||
| DB01224 | 3232 | 77 | None | -57 | 63 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | nan | ||
| 15730 | 71089 | 80 | None | -10 | 10 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 206 | 7 | 1 | 1 | 4.3 | CCCCCCCCc1ccc(O)cc1 | nan | ||
| CHEMBL195437 | 71089 | 80 | None | -10 | 10 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 206 | 7 | 1 | 1 | 4.3 | CCCCCCCCc1ccc(O)cc1 | nan | ||
| 10518821 | 12095 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 307 | 4 | 0 | 3 | 3.6 | CCN1CC=C(c2ccccc2)C(C(=O)Oc2ccccc2)C1 | 10.1021/jm980067l | ||
| CHEMBL1184108 | 12095 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 307 | 4 | 0 | 3 | 3.6 | CCN1CC=C(c2ccccc2)C(C(=O)Oc2ccccc2)C1 | 10.1021/jm980067l | ||
| CHEMBL332645 | 12095 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 307 | 4 | 0 | 3 | 3.6 | CCN1CC=C(c2ccccc2)C(C(=O)Oc2ccccc2)C1 | 10.1021/jm980067l | ||
| 10573693 | 11398 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 411 | 7 | 0 | 3 | 5.5 | CCN1CCC(c2ccccc2)=C(C(=O)OCC(c2ccccc2)c2ccccc2)C1 | 10.1021/jm980067l | ||
| CHEMBL1180305 | 11398 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 411 | 7 | 0 | 3 | 5.5 | CCN1CCC(c2ccccc2)=C(C(=O)OCC(c2ccccc2)c2ccccc2)C1 | 10.1021/jm980067l | ||
| CHEMBL120963 | 11398 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 411 | 7 | 0 | 3 | 5.5 | CCN1CCC(c2ccccc2)=C(C(=O)OCC(c2ccccc2)c2ccccc2)C1 | 10.1021/jm980067l | ||
| 6761 | 67770 | 19 | None | -53 | 18 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 401 | 5 | 1 | 4 | 4.5 | NC(=O)C1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1 | nan | ||
| CHEMBL1909072 | 67770 | 19 | None | -53 | 18 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 401 | 5 | 1 | 4 | 4.5 | NC(=O)C1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1 | nan | ||
| 10660 | 14384 | 58 | None | -6 | 12 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 469 | 6 | 1 | 7 | 3.0 | CN(C)CCOC(c1ccccc1)c1ccccc1.Cn1c(=O)c2[nH]c(Cl)nc2n(C)c1=O | nan | ||
| CHEMBL1200406 | 14384 | 58 | None | -6 | 12 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 469 | 6 | 1 | 7 | 3.0 | CN(C)CCOC(c1ccccc1)c1ccccc1.Cn1c(=O)c2[nH]c(Cl)nc2n(C)c1=O | nan | ||
| 135 | 2515 | 43 | None | -19 | 58 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | ||
| 1796 | 2515 | 43 | None | -19 | 58 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | ||
| 4184 | 2515 | 43 | None | -19 | 58 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | ||
| CHEMBL6437 | 2515 | 43 | None | -19 | 58 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | ||
| DB06148 | 2515 | 43 | None | -19 | 58 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | ||
| 4098 | 32475 | 30 | None | -28 | 11 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 261 | 6 | 0 | 4 | 2.7 | CN(C)CCN(Cc1cccs1)c1ccccn1 | nan | ||
| CHEMBL1255739 | 32475 | 30 | None | -28 | 11 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 261 | 6 | 0 | 4 | 2.7 | CN(C)CCN(Cc1cccs1)c1ccccn1 | nan | ||
| CHEMBL1411979 | 32475 | 30 | None | -28 | 11 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 261 | 6 | 0 | 4 | 2.7 | CN(C)CCN(Cc1cccs1)c1ccccn1 | nan | ||
| 10522336 | 15098 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 357 | 11 | 0 | 3 | 5.3 | CCCCCCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 | 10.1021/jm980067l | ||
| CHEMBL120972 | 15098 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 357 | 11 | 0 | 3 | 5.3 | CCCCCCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 | 10.1021/jm980067l | ||
| 10664532 | 12080 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 335 | 6 | 0 | 3 | 3.8 | CCN1CC=C(c2ccccc2)C(C(=O)OCCc2ccccc2)C1 | 10.1021/jm980067l | ||
| CHEMBL1184064 | 12080 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 335 | 6 | 0 | 3 | 3.8 | CCN1CC=C(c2ccccc2)C(C(=O)OCCc2ccccc2)C1 | 10.1021/jm980067l | ||
| CHEMBL330892 | 12080 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 335 | 6 | 0 | 3 | 3.8 | CCN1CC=C(c2ccccc2)C(C(=O)OCCc2ccccc2)C1 | 10.1021/jm980067l | ||
| 3191 | 102831 | 97 | None | -7 | 25 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 469 | 9 | 0 | 3 | 7.2 | CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 | nan | ||
| CHEMBL305660 | 102831 | 97 | None | -7 | 25 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 469 | 9 | 0 | 3 | 7.2 | CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 | nan | ||
| 5648 | 78382 | 9 | None | -2 | 5 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 306 | 9 | 0 | 2 | 3.8 | CCC(C)C(C(=O)OCC[N+](C)(CC)CC)c1ccccc1 | nan | ||
| CHEMBL2107687 | 78382 | 9 | None | -2 | 5 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 306 | 9 | 0 | 2 | 3.8 | CCC(C)C(C(=O)OCC[N+](C)(CC)CC)c1ccccc1 | nan | ||
| CHEMBL2111176 | 78382 | 9 | None | -2 | 5 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 306 | 9 | 0 | 2 | 3.8 | CCC(C)C(C(=O)OCC[N+](C)(CC)CC)c1ccccc1 | nan | ||
| 2200 | 3109 | 46 | None | -8 | 13 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm980067l | ||
| 328 | 3109 | 46 | None | -8 | 13 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm980067l | ||
| 4848 | 3109 | 46 | None | -8 | 13 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm980067l | ||
| CHEMBL9967 | 3109 | 46 | None | -8 | 13 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm980067l | ||
| DB00670 | 3109 | 46 | None | -8 | 13 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm980067l | ||
| 10851853 | 12156 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 301 | 7 | 0 | 3 | 3.9 | CCCCCOC(=O)C1=C(c2ccccc2)CCN(CC)C1 | 10.1021/jm980067l | ||
| CHEMBL1184242 | 12156 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 301 | 7 | 0 | 3 | 3.9 | CCCCCOC(=O)C1=C(c2ccccc2)CCN(CC)C1 | 10.1021/jm980067l | ||
| CHEMBL340561 | 12156 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 301 | 7 | 0 | 3 | 3.9 | CCCCCOC(=O)C1=C(c2ccccc2)CCN(CC)C1 | 10.1021/jm980067l | ||
| 260 | 3840 | 54 | None | -467 | 6 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 284 | 2 | 1 | 3 | 3.0 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(=O)c1c[nH]c2c1cccc2 | nan | ||
| 2775 | 3840 | 54 | None | -467 | 6 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 284 | 2 | 1 | 3 | 3.0 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(=O)c1c[nH]c2c1cccc2 | nan | ||
| 656665 | 3840 | 54 | None | -467 | 6 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 284 | 2 | 1 | 3 | 3.0 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(=O)c1c[nH]c2c1cccc2 | nan | ||
| CHEMBL56564 | 3840 | 54 | None | -467 | 6 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 284 | 2 | 1 | 3 | 3.0 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(=O)c1c[nH]c2c1cccc2 | nan | ||
| DB11699 | 3840 | 54 | None | -467 | 6 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 284 | 2 | 1 | 3 | 3.0 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(=O)c1c[nH]c2c1cccc2 | nan | ||
| CHEMBL5266790 | 193609 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 429 | 4 | 1 | 6 | 2.9 | O=C(Nc1ccc2scnc2c1)[C@@H]1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)C1 | 10.1016/j.bmcl.2022.129021 | ||
| CHEMBL5270452 | 193609 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 429 | 4 | 1 | 6 | 2.9 | O=C(Nc1ccc2scnc2c1)[C@@H]1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)C1 | 10.1016/j.bmcl.2022.129021 | ||
| CHEMBL5274311 | 193784 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 443 | 4 | 1 | 6 | 3.1 | C[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)CCO3)C[C@@H]1C(=O)Nc1ccc2scnc2c1 | 10.1016/j.bmcl.2022.129021 | ||
| CHEMBL5267268 | 193490 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 438 | 4 | 1 | 6 | 3.5 | O=C(Nc1ccc2scnc2c1)[C@@H]1CCN(S(=O)(=O)c2ccc3ncccc3c2)C1 | 10.1016/j.bmcl.2022.129021 | ||
| CHEMBL5270574 | 193615 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 431 | 4 | 1 | 7 | 2.7 | O=C(Nc1ccc2scnc2c1)[C@@H]1CCN(S(=O)(=O)c2ccc3c(c2)OCO3)C1 | 10.1016/j.bmcl.2022.129021 | ||
| 13457929 | 96998 | 0 | None | - | 0 | Rat | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 323 | 2 | 0 | 4 | 3.0 | CN1CCN2CC(c3ccc([N+](=O)[O-])cc3)c3ccccc3C2C1 | 10.1021/jm00374a011 | ||
| CHEMBL266801 | 96998 | 0 | None | - | 0 | Rat | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 323 | 2 | 0 | 4 | 3.0 | CN1CCN2CC(c3ccc([N+](=O)[O-])cc3)c3ccccc3C2C1 | 10.1021/jm00374a011 | ||
| 10549581 | 11417 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 411 | 7 | 0 | 3 | 5.4 | CCN1CC=C(c2ccccc2)C(C(=O)OCC(c2ccccc2)c2ccccc2)C1 | 10.1021/jm980067l | ||
| CHEMBL1180349 | 11417 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 411 | 7 | 0 | 3 | 5.4 | CCN1CC=C(c2ccccc2)C(C(=O)OCC(c2ccccc2)c2ccccc2)C1 | 10.1021/jm980067l | ||
| CHEMBL123198 | 11417 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 411 | 7 | 0 | 3 | 5.4 | CCN1CC=C(c2ccccc2)C(C(=O)OCC(c2ccccc2)c2ccccc2)C1 | 10.1021/jm980067l | ||
| CHEMBL1200633 | 208577 | 3 | None | -8 | 8 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2.CO[C@H]1C[C@H](O[C@H]2[C@H](C)O[C@@H](O[C@@H]3/C(C)=C/C[C@@H]4C[C@@H](C[C@]5(CC[C@H](C)[C@@H](C(C)C)O5)O4)OC(=O)[C@@H]4C=C(C)[C@@H](O)[C@H]5OC/C(=C\C=C\[C@@H]3C)[C@@]45O)C[C@@H]2OC)O[C@@H](C)[C@@H]1O | nan | ||||
| 237 | 204842 | 48 | None | -2 | 13 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | nan | ||
| CHEMBL546257 | 204842 | 48 | None | -2 | 13 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | nan | ||
| CHEMBL554190 | 204842 | 48 | None | -2 | 13 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | nan | ||
| CHEMBL7568 | 204842 | 48 | None | -2 | 13 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | nan | ||
| 1530 | 2169 | 50 | None | -46 | 21 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | ||
| 3827 | 2169 | 50 | None | -46 | 21 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | ||
| 7206 | 2169 | 50 | None | -46 | 21 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | ||
| CHEMBL534 | 2169 | 50 | None | -46 | 21 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | ||
| DB00920 | 2169 | 50 | None | -46 | 21 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | ||
| 10638050 | 11383 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 301 | 7 | 0 | 3 | 3.8 | CCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 | 10.1021/jm980067l | ||
| CHEMBL116601 | 11383 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 301 | 7 | 0 | 3 | 3.8 | CCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 | 10.1021/jm980067l | ||
| CHEMBL1180202 | 11383 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 301 | 7 | 0 | 3 | 3.8 | CCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 | 10.1021/jm980067l | ||
| 44302741 | 202632 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 406 | 4 | 1 | 5 | 4.5 | CCCOC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3 | 10.1016/s0960-894x(98)00351-5 | ||
| CHEMBL61412 | 202632 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 406 | 4 | 1 | 5 | 4.5 | CCCOC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3 | 10.1016/s0960-894x(98)00351-5 | ||
| 44302776 | 102323 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 376 | 2 | 1 | 4 | 4.4 | CCOC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2cc(C)ccc2C1O3 | 10.1016/s0960-894x(98)00351-5 | ||
| CHEMBL303758 | 102323 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 376 | 2 | 1 | 4 | 4.4 | CCOC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2cc(C)ccc2C1O3 | 10.1016/s0960-894x(98)00351-5 | ||
| 1353 | 1898 | 93 | None | -398 | 86 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | nan | ||
| 3559 | 1898 | 93 | None | -398 | 86 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | nan | ||
| 86 | 1898 | 93 | None | -398 | 86 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | nan | ||
| CHEMBL54 | 1898 | 93 | None | -398 | 86 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | nan | ||
| DB00502 | 1898 | 93 | None | -398 | 86 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | nan | ||
| 2286 | 3161 | 51 | None | -1 | 30 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | ||
| 4927 | 3161 | 51 | None | -1 | 30 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | ||
| 7282 | 3161 | 51 | None | -1 | 30 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | ||
| CHEMBL643 | 3161 | 51 | None | -1 | 30 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | ||
| DB01069 | 3161 | 51 | None | -1 | 30 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | ||
| 135398745 | 2893 | 112 | None | -8 | 66 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | nan | ||
| 47 | 2893 | 112 | None | -8 | 66 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | nan | ||
| CHEMBL715 | 2893 | 112 | None | -8 | 66 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | nan | ||
| DB00334 | 2893 | 112 | None | -8 | 66 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | nan | ||
| 6075 | 150084 | 42 | None | -2 | 16 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 310 | 2 | 0 | 3 | 4.6 | CN1CCCC(CN2c3ccccc3Sc3ccccc32)C1 | nan | ||
| CHEMBL395110 | 150084 | 42 | None | -2 | 16 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 310 | 2 | 0 | 3 | 4.6 | CN1CCCC(CN2c3ccccc3Sc3ccccc32)C1 | nan | ||
| 10854879 | 11385 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 343 | 10 | 0 | 3 | 4.9 | CCCCCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 | 10.1021/jm980067l | ||
| CHEMBL1180239 | 11385 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 343 | 10 | 0 | 3 | 4.9 | CCCCCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 | 10.1021/jm980067l | ||
| CHEMBL118241 | 11385 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 343 | 10 | 0 | 3 | 4.9 | CCCCCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 | 10.1021/jm980067l | ||
| 13457439 | 161770 | 0 | None | - | 0 | Rat | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 266 | 3 | 1 | 2 | 3.0 | CN(C)CC1NCC(c2ccccc2)c2ccccc21 | 10.1021/jm00374a011 | ||
| CHEMBL414182 | 161770 | 0 | None | - | 0 | Rat | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 266 | 3 | 1 | 2 | 3.0 | CN(C)CC1NCC(c2ccccc2)c2ccccc21 | 10.1021/jm00374a011 | ||
| 13457932 | 203221 | 0 | None | - | 0 | Rat | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 293 | 1 | 1 | 3 | 2.7 | CN1CCN2CC(c3ccc(N)cc3)c3ccccc3C2C1 | 10.1021/jm00374a011 | ||
| CHEMBL6455 | 203221 | 0 | None | - | 0 | Rat | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 293 | 1 | 1 | 3 | 2.7 | CN1CCN2CC(c3ccc(N)cc3)c3ccccc3C2C1 | 10.1021/jm00374a011 | ||
| 10755733 | 11396 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 287 | 5 | 0 | 3 | 3.4 | CCN1CCC(c2ccccc2)=C(C(=O)OCC(C)C)C1 | 10.1021/jm980067l | ||
| CHEMBL1180297 | 11396 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 287 | 5 | 0 | 3 | 3.4 | CCN1CCC(c2ccccc2)=C(C(=O)OCC(C)C)C1 | 10.1021/jm980067l | ||
| CHEMBL120581 | 11396 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 287 | 5 | 0 | 3 | 3.4 | CCN1CCC(c2ccccc2)=C(C(=O)OCC(C)C)C1 | 10.1021/jm980067l | ||
| 44302788 | 200599 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 378 | 2 | 1 | 5 | 3.7 | COC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3 | 10.1016/s0960-894x(98)00351-5 | ||
| CHEMBL59939 | 200599 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 378 | 2 | 1 | 5 | 3.7 | COC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3 | 10.1016/s0960-894x(98)00351-5 | ||
| 10777692 | 11395 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 259 | 4 | 0 | 3 | 2.6 | CCOC(=O)C1CN(CC)CC=C1c1ccccc1 | 10.1021/jm980067l | ||
| CHEMBL1180296 | 11395 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 259 | 4 | 0 | 3 | 2.6 | CCOC(=O)C1CN(CC)CC=C1c1ccccc1 | 10.1021/jm980067l | ||
| CHEMBL120539 | 11395 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 259 | 4 | 0 | 3 | 2.6 | CCOC(=O)C1CN(CC)CC=C1c1ccccc1 | 10.1021/jm980067l | ||
| 44302813 | 101903 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 362 | 2 | 1 | 4 | 4.1 | CCOC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2ccccc2C1O3 | 10.1016/s0960-894x(98)00351-5 | ||
| CHEMBL301041 | 101903 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 362 | 2 | 1 | 4 | 4.1 | CCOC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2ccccc2C1O3 | 10.1016/s0960-894x(98)00351-5 | ||
| 10663572 | 13127 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 321 | 5 | 0 | 3 | 3.8 | CCN1CC=C(c2ccccc2)C(C(=O)OCc2ccccc2)C1 | 10.1021/jm980067l | ||
| CHEMBL1190784 | 13127 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 321 | 5 | 0 | 3 | 3.8 | CCN1CC=C(c2ccccc2)C(C(=O)OCc2ccccc2)C1 | 10.1021/jm980067l | ||
| CHEMBL541584 | 13127 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 321 | 5 | 0 | 3 | 3.8 | CCN1CC=C(c2ccccc2)C(C(=O)OCc2ccccc2)C1 | 10.1021/jm980067l | ||
| 10688349 | 12104 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 337 | 6 | 0 | 3 | 3.9 | CCN1CC[C@@H](c2ccccc2)[C@@H](C(=O)OCCc2ccccc2)C1 | 10.1021/jm980067l | ||
| CHEMBL1184138 | 12104 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 337 | 6 | 0 | 3 | 3.9 | CCN1CC[C@@H](c2ccccc2)[C@@H](C(=O)OCCc2ccccc2)C1 | 10.1021/jm980067l | ||
| CHEMBL334194 | 12104 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 337 | 6 | 0 | 3 | 3.9 | CCN1CC[C@@H](c2ccccc2)[C@@H](C(=O)OCCc2ccccc2)C1 | 10.1021/jm980067l | ||
| 10468793 | 203488 | 0 | None | - | 0 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 278 | 1 | 0 | 2 | 3.1 | CN1CCN2CC(c3ccccc3)c3ccccc3C2C1 | 10.1021/jm00374a011 | ||
| CHEMBL6627 | 203488 | 0 | None | - | 0 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 278 | 1 | 0 | 2 | 3.1 | CN1CCN2CC(c3ccccc3)c3ccccc3C2C1 | 10.1021/jm00374a011 | ||
| 44302793 | 199706 | 0 | None | - | 0 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 350 | 2 | 1 | 4 | 3.9 | COc1cc2c(cc1OC)C1Oc3ccc4[nH]c(C)cc4c3CN1CC2 | 10.1016/s0960-894x(98)00351-5 | ||
| CHEMBL59347 | 199706 | 0 | None | - | 0 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 350 | 2 | 1 | 4 | 3.9 | COc1cc2c(cc1OC)C1Oc3ccc4[nH]c(C)cc4c3CN1CC2 | 10.1016/s0960-894x(98)00351-5 | ||
| 441383 | 20301 | 57 | None | -6 | 17 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 531 | 8 | 0 | 8 | 4.5 | CC(C)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4cncn4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | nan | ||
| CHEMBL1306 | 20301 | 57 | None | -6 | 17 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 531 | 8 | 0 | 8 | 4.5 | CC(C)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4cncn4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | nan | ||
| CHEMBL5275437 | 193831 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 429 | 4 | 1 | 6 | 2.9 | O=C(Nc1ccc2scnc2c1)[C@H]1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)C1 | 10.1016/j.bmcl.2022.129021 | ||
| 657255 | 199061 | 34 | None | -20 | 15 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 337 | 12 | 2 | 3 | 5.6 | CCCCCCCCN[C@H](C)[C@@H](O)c1ccc(SC(C)C)cc1 | nan | ||
| CHEMBL588119 | 199061 | 34 | None | -20 | 15 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 337 | 12 | 2 | 3 | 5.6 | CCCCCCCCN[C@H](C)[C@@H](O)c1ccc(SC(C)C)cc1 | nan | ||
| 13457926 | 203411 | 0 | None | - | 0 | Rat | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 368 | 3 | 0 | 6 | 2.9 | CN1CCN2CC(c3ccc([N+](=O)[O-])cc3)c3ccc([N+](=O)[O-])cc3C2C1 | 10.1021/jm00374a011 | ||
| CHEMBL6575 | 203411 | 0 | None | - | 0 | Rat | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 368 | 3 | 0 | 6 | 2.9 | CN1CCN2CC(c3ccc([N+](=O)[O-])cc3)c3ccc([N+](=O)[O-])cc3C2C1 | 10.1021/jm00374a011 | ||
| 10468793 | 203488 | 0 | None | - | 0 | Rat | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 278 | 1 | 0 | 2 | 3.1 | CN1CCN2CC(c3ccccc3)c3ccccc3C2C1 | 10.1021/jm00374a011 | ||
| CHEMBL6627 | 203488 | 0 | None | - | 0 | Rat | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 278 | 1 | 0 | 2 | 3.1 | CN1CCN2CC(c3ccccc3)c3ccccc3C2C1 | 10.1021/jm00374a011 | ||
| CHEMBL5277011 | 193898 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 429 | 4 | 1 | 6 | 2.9 | O=C(Nc1ccc2scnc2c1)C1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)C1 | 10.1016/j.bmcl.2022.129021 | ||
| 11793999 | 12083 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 377 | 9 | 0 | 3 | 5.1 | CCN1CCC(c2ccccc2)=C(C(=O)OCCCCCc2ccccc2)C1 | 10.1021/jm980067l | ||
| CHEMBL1184074 | 12083 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 377 | 9 | 0 | 3 | 5.1 | CCN1CCC(c2ccccc2)=C(C(=O)OCCCCCc2ccccc2)C1 | 10.1021/jm980067l | ||
| CHEMBL331516 | 12083 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 377 | 9 | 0 | 3 | 5.1 | CCN1CCC(c2ccccc2)=C(C(=O)OCCCCCc2ccccc2)C1 | 10.1021/jm980067l | ||
| 44302755 | 202653 | 0 | None | - | 0 | Human | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 408 | 4 | 1 | 6 | 3.8 | CCOC(=O)c1c[nH]c2ccc3c(c12)CN1CCc2cc(OC)c(OC)cc2C1O3 | 10.1016/s0960-894x(98)00351-5 | ||
| CHEMBL61494 | 202653 | 0 | None | - | 0 | Human | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 408 | 4 | 1 | 6 | 3.8 | CCOC(=O)c1c[nH]c2ccc3c(c12)CN1CCc2cc(OC)c(OC)cc2C1O3 | 10.1016/s0960-894x(98)00351-5 | ||
| 44302900 | 202775 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 406 | 3 | 1 | 5 | 4.5 | COc1ccc2c(c1)CCN1Cc3c(ccc4[nH]c(C)c(C(=O)OC(C)C)c34)OC21 | 10.1016/s0960-894x(98)00351-5 | ||
| CHEMBL62251 | 202775 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 406 | 3 | 1 | 5 | 4.5 | COc1ccc2c(c1)CCN1Cc3c(ccc4[nH]c(C)c(C(=O)OC(C)C)c34)OC21 | 10.1016/s0960-894x(98)00351-5 | ||
| 10784004 | 13355 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 349 | 7 | 0 | 3 | 4.3 | CCN1CCC(c2ccccc2)=C(C(=O)OCCCc2ccccc2)C1 | 10.1021/jm980067l | ||
| CHEMBL1192621 | 13355 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 349 | 7 | 0 | 3 | 4.3 | CCN1CCC(c2ccccc2)=C(C(=O)OCCCc2ccccc2)C1 | 10.1021/jm980067l | ||
| CHEMBL543890 | 13355 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 349 | 7 | 0 | 3 | 4.3 | CCN1CCC(c2ccccc2)=C(C(=O)OCCCc2ccccc2)C1 | 10.1021/jm980067l | ||
| 10666533 | 11400 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 365 | 7 | 0 | 4 | 3.8 | CCN1CC=C(c2ccccc2)C(C(=O)OCCc2ccc(OC)cc2)C1 | 10.1021/jm980067l | ||
| CHEMBL1180310 | 11400 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 365 | 7 | 0 | 4 | 3.8 | CCN1CC=C(c2ccccc2)C(C(=O)OCCc2ccc(OC)cc2)C1 | 10.1021/jm980067l | ||
| CHEMBL121299 | 11400 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 365 | 7 | 0 | 4 | 3.8 | CCN1CC=C(c2ccccc2)C(C(=O)OCCc2ccc(OC)cc2)C1 | 10.1021/jm980067l | ||
| 10761219 | 11399 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 363 | 8 | 0 | 3 | 4.6 | CCN1CC=C(c2ccccc2)C(C(=O)OCCCCc2ccccc2)C1 | 10.1021/jm980067l | ||
| CHEMBL1180309 | 11399 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 363 | 8 | 0 | 3 | 4.6 | CCN1CC=C(c2ccccc2)C(C(=O)OCCCCc2ccccc2)C1 | 10.1021/jm980067l | ||
| CHEMBL121298 | 11399 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 363 | 8 | 0 | 3 | 4.6 | CCN1CC=C(c2ccccc2)C(C(=O)OCCCCc2ccccc2)C1 | 10.1021/jm980067l | ||
| 46871844 | 6780 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 360 | 4 | 2 | 2 | 4.1 | C[C@H]1CNCC[C@@H]1CNC(=O)c1c(F)cccc1-c1cccc(Cl)c1 | 10.1016/j.bmcl.2010.04.127 | ||
| CHEMBL1083925 | 6780 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 360 | 4 | 2 | 2 | 4.1 | C[C@H]1CNCC[C@@H]1CNC(=O)c1c(F)cccc1-c1cccc(Cl)c1 | 10.1016/j.bmcl.2010.04.127 | ||
| 46871665 | 6563 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 346 | 4 | 2 | 2 | 3.9 | O=C(NCC1CCNCC1)c1ccccc1-c1cc(Cl)ccc1F | 10.1016/j.bmcl.2010.04.128 | ||
| CHEMBL1083108 | 6563 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 346 | 4 | 2 | 2 | 3.9 | O=C(NCC1CCNCC1)c1ccccc1-c1cc(Cl)ccc1F | 10.1016/j.bmcl.2010.04.128 | ||
| 68617 | 205504 | 62 | None | -22 | 26 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | nan | ||
| CHEMBL1709 | 205504 | 62 | None | -22 | 26 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | nan | ||
| CHEMBL809 | 205504 | 62 | None | -22 | 26 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | nan | ||
| 10567372 | 12099 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 315 | 8 | 0 | 3 | 4.1 | CCCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 | 10.1021/jm980067l | ||
| CHEMBL1160977 | 12099 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 315 | 8 | 0 | 3 | 4.1 | CCCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 | 10.1021/jm980067l | ||
| CHEMBL1184119 | 12099 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 315 | 8 | 0 | 3 | 4.1 | CCCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 | 10.1021/jm980067l | ||
| CHEMBL333065 | 12099 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 315 | 8 | 0 | 3 | 4.1 | CCCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 | 10.1021/jm980067l | ||
| 2398 | 951 | 62 | None | -2 | 29 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | nan | ||
| 2801 | 951 | 62 | None | -2 | 29 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | nan | ||
| 701 | 951 | 62 | None | -2 | 29 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | nan | ||
| CHEMBL415 | 951 | 62 | None | -2 | 29 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | nan | ||
| DB01242 | 951 | 62 | None | -2 | 29 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | nan | ||
| 11057 | 176125 | 23 | None | -1 | 20 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | nan | ||
| 3468 | 176125 | 23 | None | -1 | 20 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | nan | ||
| CHEMBL459265 | 176125 | 23 | None | -1 | 20 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | nan | ||
| CHEMBL64894 | 176125 | 23 | None | -1 | 20 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | nan | ||
| 10592484 | 11403 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 329 | 9 | 0 | 3 | 4.5 | CCCCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 | 10.1021/jm980067l | ||
| CHEMBL1180314 | 11403 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 329 | 9 | 0 | 3 | 4.5 | CCCCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 | 10.1021/jm980067l | ||
| CHEMBL121476 | 11403 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 329 | 9 | 0 | 3 | 4.5 | CCCCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 | 10.1021/jm980067l | ||
| 10267601 | 12097 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 313 | 4 | 0 | 3 | 4.0 | CCN1CCC(c2ccccc2)=C(C(=O)OC2CCCCC2)C1 | 10.1021/jm980067l | ||
| CHEMBL1184116 | 12097 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 313 | 4 | 0 | 3 | 4.0 | CCN1CCC(c2ccccc2)=C(C(=O)OC2CCCCC2)C1 | 10.1021/jm980067l | ||
| CHEMBL332980 | 12097 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 313 | 4 | 0 | 3 | 4.0 | CCN1CCC(c2ccccc2)=C(C(=O)OC2CCCCC2)C1 | 10.1021/jm980067l | ||
| 5282593 | 55228 | 26 | None | -2 | 5 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 275 | 3 | 1 | 4 | 1.9 | CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)C(O)c1ccccc1)C2 | nan | ||
| CHEMBL1319362 | 55228 | 26 | None | -2 | 5 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 275 | 3 | 1 | 4 | 1.9 | CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)C(O)c1ccccc1)C2 | nan | ||
| CHEMBL1618018 | 55228 | 26 | None | -2 | 5 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 275 | 3 | 1 | 4 | 1.9 | CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)C(O)c1ccccc1)C2 | nan | ||
| CHEMBL5274958 | 193808 | 0 | None | - | 0 | Rat | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 444 | 4 | 1 | 7 | 3.6 | O=C(Nc1ccc2scnc2c1)[C@@H]1CCN(S(=O)(=O)c2ccc3ncsc3c2)C1 | 10.1016/j.bmcl.2022.129021 | ||
| 10827157 | 11405 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 287 | 5 | 0 | 3 | 3.2 | CCN1CC=C(c2ccccc2)C(C(=O)OCC(C)C)C1 | 10.1021/jm980067l | ||
| CHEMBL1180317 | 11405 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 287 | 5 | 0 | 3 | 3.2 | CCN1CC=C(c2ccccc2)C(C(=O)OCC(C)C)C1 | 10.1021/jm980067l | ||
| CHEMBL121552 | 11405 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 287 | 5 | 0 | 3 | 3.2 | CCN1CC=C(c2ccccc2)C(C(=O)OCC(C)C)C1 | 10.1021/jm980067l | ||
| 10641009 | 11394 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 341 | 6 | 0 | 3 | 4.7 | CCN1CCC(c2ccccc2)=C(C(=O)OCCC2CCCCC2)C1 | 10.1021/jm980067l | ||
| CHEMBL1180292 | 11394 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 341 | 6 | 0 | 3 | 4.7 | CCN1CCC(c2ccccc2)=C(C(=O)OCCC2CCCCC2)C1 | 10.1021/jm980067l | ||
| CHEMBL120472 | 11394 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 341 | 6 | 0 | 3 | 4.7 | CCN1CCC(c2ccccc2)=C(C(=O)OCCC2CCCCC2)C1 | 10.1021/jm980067l | ||
| 13457941 | 203203 | 0 | None | - | 0 | Rat | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 308 | 2 | 0 | 3 | 3.1 | COc1ccc(C2CN3CCN(C)CC3c3ccccc32)cc1 | 10.1021/jm00374a011 | ||
| CHEMBL6446 | 203203 | 0 | None | - | 0 | Rat | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 308 | 2 | 0 | 3 | 3.1 | COc1ccc(C2CN3CCN(C)CC3c3ccccc32)cc1 | 10.1021/jm00374a011 | ||
| 10854880 | 11389 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 343 | 10 | 0 | 3 | 5.1 | CCCCCCCCOC(=O)C1=C(c2ccccc2)CCN(CC)C1 | 10.1021/jm980067l | ||
| CHEMBL1180282 | 11389 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 343 | 10 | 0 | 3 | 5.1 | CCCCCCCCOC(=O)C1=C(c2ccccc2)CCN(CC)C1 | 10.1021/jm980067l | ||
| CHEMBL120080 | 11389 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 343 | 10 | 0 | 3 | 5.1 | CCCCCCCCOC(=O)C1=C(c2ccccc2)CCN(CC)C1 | 10.1021/jm980067l | ||
| 44302879 | 202695 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 348 | 1 | 1 | 4 | 3.7 | COC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2ccccc2C1O3 | 10.1016/s0960-894x(98)00351-5 | ||
| CHEMBL61774 | 202695 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 348 | 1 | 1 | 4 | 3.7 | COC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2ccccc2C1O3 | 10.1016/s0960-894x(98)00351-5 | ||
| CHEMBL1386 | 29603 | 0 | None | -7 | 3 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | None | None | None | None | nan | ||||
| 5310989 | 200854 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 378 | 3 | 1 | 5 | 3.8 | CCOC(=O)c1c[nH]c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3 | 10.1016/s0960-894x(98)00351-5 | ||
| CHEMBL60142 | 200854 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 378 | 3 | 1 | 5 | 3.8 | CCOC(=O)c1c[nH]c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3 | 10.1016/s0960-894x(98)00351-5 | ||
| 10636001 | 11393 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 273 | 5 | 0 | 3 | 3.1 | CCCOC(=O)C1=C(c2ccccc2)CCN(CC)C1 | 10.1021/jm980067l | ||
| CHEMBL1180290 | 11393 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 273 | 5 | 0 | 3 | 3.1 | CCCOC(=O)C1=C(c2ccccc2)CCN(CC)C1 | 10.1021/jm980067l | ||
| CHEMBL120329 | 11393 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 273 | 5 | 0 | 3 | 3.1 | CCCOC(=O)C1=C(c2ccccc2)CCN(CC)C1 | 10.1021/jm980067l | ||
| 2230 | 464 | 60 | None | -416 | 10 | Human | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1021/jm9705216 | ||
| 296 | 464 | 60 | None | -416 | 10 | Human | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1021/jm9705216 | ||
| CHEMBL7303 | 464 | 60 | None | -416 | 10 | Human | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1021/jm9705216 | ||
| DB04365 | 464 | 60 | None | -416 | 10 | Human | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1021/jm9705216 | ||
| 10567192 | 12064 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 313 | 4 | 0 | 3 | 3.9 | CCN1CC=C(c2ccccc2)C(C(=O)OC2CCCCC2)C1 | 10.1021/jm980067l | ||
| CHEMBL1183934 | 12064 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 313 | 4 | 0 | 3 | 3.9 | CCN1CC=C(c2ccccc2)C(C(=O)OC2CCCCC2)C1 | 10.1021/jm980067l | ||
| CHEMBL324936 | 12064 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 313 | 4 | 0 | 3 | 3.9 | CCN1CC=C(c2ccccc2)C(C(=O)OC2CCCCC2)C1 | 10.1021/jm980067l | ||
| 13457435 | 203519 | 0 | None | - | 0 | Rat | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 252 | 3 | 2 | 2 | 2.7 | CNCC1NCC(c2ccccc2)c2ccccc21 | 10.1021/jm00374a011 | ||
| CHEMBL6649 | 203519 | 0 | None | - | 0 | Rat | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 252 | 3 | 2 | 2 | 2.7 | CNCC1NCC(c2ccccc2)c2ccccc21 | 10.1021/jm00374a011 | ||
| 100826 | 90655 | 71 | None | - | 0 | Human | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | 185 | 3 | 2 | 3 | -0.6 | CC(C)NC(=O)CN1CCNCC1 | 10.1016/j.bmc.2013.02.058 | ||
| CHEMBL2391356 | 90655 | 71 | None | - | 0 | Human | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | 185 | 3 | 2 | 3 | -0.6 | CC(C)NC(=O)CN1CCNCC1 | 10.1016/j.bmc.2013.02.058 | ||
| 46891179 | 6385 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 378 | 4 | 2 | 2 | 4.2 | C[C@H]1CNCC[C@]1(F)CNC(=O)c1c(F)cccc1-c1cccc(Cl)c1 | 10.1016/j.bmcl.2010.04.127 | ||
| CHEMBL1082365 | 6385 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 378 | 4 | 2 | 2 | 4.2 | C[C@H]1CNCC[C@]1(F)CNC(=O)c1c(F)cccc1-c1cccc(Cl)c1 | 10.1016/j.bmcl.2010.04.127 | ||
| 6726 | 1269 | 51 | None | -9 | 13 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
| 7151 | 1269 | 51 | None | -9 | 13 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
| 749 | 1269 | 51 | None | -9 | 13 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
| CHEMBL648 | 1269 | 51 | None | -9 | 13 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
| DB01176 | 1269 | 51 | None | -9 | 13 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
| 2284 | 3160 | 33 | None | -7 | 29 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | ||
| 4926 | 3160 | 33 | None | -7 | 29 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | ||
| 7281 | 3160 | 33 | None | -7 | 29 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | ||
| CHEMBL564 | 3160 | 33 | None | -7 | 29 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | ||
| DB00420 | 3160 | 33 | None | -7 | 29 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | ||
| 13457903 | 155660 | 0 | None | - | 0 | Rat | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 306 | 3 | 0 | 2 | 3.9 | CCCN1CCN2CC(c3ccccc3)c3ccccc3C2C1 | 10.1021/jm00374a011 | ||
| CHEMBL404992 | 155660 | 0 | None | - | 0 | Rat | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 306 | 3 | 0 | 2 | 3.9 | CCCN1CCN2CC(c3ccccc3)c3ccccc3C2C1 | 10.1021/jm00374a011 | ||
| 13457441 | 203451 | 0 | None | - | 0 | Rat | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 266 | 4 | 2 | 2 | 3.1 | CCNCC1NCC(c2ccccc2)c2ccccc21 | 10.1021/jm00374a011 | ||
| CHEMBL6603 | 203451 | 0 | None | - | 0 | Rat | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 266 | 4 | 2 | 2 | 3.1 | CCNCC1NCC(c2ccccc2)c2ccccc21 | 10.1021/jm00374a011 | ||
| 2247 | 504 | 81 | None | -32 | 42 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | ||
| 249 | 504 | 81 | None | -32 | 42 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | ||
| 2603 | 504 | 81 | None | -32 | 42 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | ||
| CHEMBL296419 | 504 | 81 | None | -32 | 42 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | ||
| DB00637 | 504 | 81 | None | -32 | 42 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | ||
| 68835 | 72264 | 53 | None | - | 0 | Human | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | 225 | 3 | 2 | 3 | 0.3 | O=C(CN1CCNCC1)NC1CCCCC1 | 10.1016/j.bmc.2013.02.058 | ||
| CHEMBL1983100 | 72264 | 53 | None | - | 0 | Human | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | 225 | 3 | 2 | 3 | 0.3 | O=C(CN1CCNCC1)NC1CCCCC1 | 10.1016/j.bmc.2013.02.058 | ||
| 10468793 | 203488 | 0 | None | - | 0 | Rat | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 278 | 1 | 0 | 2 | 3.1 | CN1CCN2CC(c3ccccc3)c3ccccc3C2C1 | 10.1021/jm00374a011 | ||
| CHEMBL6627 | 203488 | 0 | None | - | 0 | Rat | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 278 | 1 | 0 | 2 | 3.1 | CN1CCN2CC(c3ccccc3)c3ccccc3C2C1 | 10.1021/jm00374a011 | ||
| 49853883 | 90653 | 0 | None | - | 0 | Human | 4.1 | pIC50 | = | 4.1 | Binding | ChEMBL | 265 | 3 | 1 | 3 | 1.2 | O=C(CN1CCN2CCC[C@@H]2C1)NC1CCCCC1 | 10.1016/j.bmc.2013.02.058 | ||
| CHEMBL2391352 | 90653 | 0 | None | - | 0 | Human | 4.1 | pIC50 | = | 4.1 | Binding | ChEMBL | 265 | 3 | 1 | 3 | 1.2 | O=C(CN1CCN2CCC[C@@H]2C1)NC1CCCCC1 | 10.1016/j.bmc.2013.02.058 | ||
| 11498 | 2997 | 41 | None | -218 | 6 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 392 | 3 | 1 | 5 | 4.1 | CCOC(=O)c1c(C)[nH]c2c1c1CN3CCc4c(C3Oc1cc2)ccc(c4)OC | 10.1016/s0960-894x(98)00351-5 | ||
| 4995951 | 2997 | 41 | None | -218 | 6 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 392 | 3 | 1 | 5 | 4.1 | CCOC(=O)c1c(C)[nH]c2c1c1CN3CCc4c(C3Oc1cc2)ccc(c4)OC | 10.1016/s0960-894x(98)00351-5 | ||
| CHEMBL59898 | 2997 | 41 | None | -218 | 6 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 392 | 3 | 1 | 5 | 4.1 | CCOC(=O)c1c(C)[nH]c2c1c1CN3CCc4c(C3Oc1cc2)ccc(c4)OC | 10.1016/s0960-894x(98)00351-5 | ||
| 1547484 | 937 | 74 | None | -9 | 20 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
| 654 | 937 | 74 | None | -9 | 20 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
| 9072 | 937 | 74 | None | -9 | 20 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
| CHEMBL43064 | 937 | 74 | None | -9 | 20 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
| DB00568 | 937 | 74 | None | -9 | 20 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
| 9974222 | 11889 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 335 | 6 | 0 | 3 | 4.0 | CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccccc2)C1 | 10.1021/jm980067l | ||
| CHEMBL1182709 | 11889 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 335 | 6 | 0 | 3 | 4.0 | CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccccc2)C1 | 10.1021/jm980067l | ||
| CHEMBL262198 | 11889 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 335 | 6 | 0 | 3 | 4.0 | CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccccc2)C1 | 10.1021/jm980067l | ||
| 107782 | 14436 | 18 | None | -2 | 5 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 472 | 4 | 4 | 6 | 2.0 | C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COP(=O)(O)O | nan | ||
| 67151996 | 14436 | 18 | None | -2 | 5 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 472 | 4 | 4 | 6 | 2.0 | C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COP(=O)(O)O | nan | ||
| CHEMBL1201207 | 14436 | 18 | None | -2 | 5 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 472 | 4 | 4 | 6 | 2.0 | C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COP(=O)(O)O | nan | ||
| 46890977 | 6700 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 342 | 4 | 2 | 2 | 4.0 | Cc1ccc(-c2ccccc2C(=O)NCC2CCNCC2)cc1Cl | 10.1016/j.bmcl.2010.04.128 | ||
| CHEMBL1083723 | 6700 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 342 | 4 | 2 | 2 | 4.0 | Cc1ccc(-c2ccccc2C(=O)NCC2CCNCC2)cc1Cl | 10.1016/j.bmcl.2010.04.128 | ||
| 180 | 400 | 56 | None | -23 | 40 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | ||
| 200 | 400 | 56 | None | -23 | 40 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | ||
| 2160 | 400 | 56 | None | -23 | 40 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | ||
| CHEMBL629 | 400 | 56 | None | -23 | 40 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | ||
| DB00321 | 400 | 56 | None | -23 | 40 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | ||
| 26987 | 946 | 33 | None | -39 | 21 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | ||
| 6063 | 946 | 33 | None | -39 | 21 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | ||
| 671 | 946 | 33 | None | -39 | 21 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | ||
| CHEMBL1626 | 946 | 33 | None | -39 | 21 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | ||
| DB00283 | 946 | 33 | None | -39 | 21 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | ||
| 302 | 2956 | 25 | None | - | 8 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | 10.1021/jm9705216 | ||
| 4630 | 2956 | 25 | None | - | 8 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | 10.1021/jm9705216 | ||
| CHEMBL7634 | 2956 | 25 | None | - | 8 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | 10.1021/jm9705216 | ||
| 44302727 | 101891 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 392 | 3 | 1 | 5 | 4.1 | CCOC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2ccc(OC)cc2C1O3 | 10.1016/s0960-894x(98)00351-5 | ||
| CHEMBL300987 | 101891 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 392 | 3 | 1 | 5 | 4.1 | CCOC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2ccc(OC)cc2C1O3 | 10.1016/s0960-894x(98)00351-5 | ||
| 10808719 | 12100 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 363 | 8 | 0 | 3 | 4.7 | CCN1CCC(c2ccccc2)=C(C(=O)OCCCCc2ccccc2)C1 | 10.1021/jm980067l | ||
| CHEMBL1184120 | 12100 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 363 | 8 | 0 | 3 | 4.7 | CCN1CCC(c2ccccc2)=C(C(=O)OCCCCc2ccccc2)C1 | 10.1021/jm980067l | ||
| CHEMBL333125 | 12100 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 363 | 8 | 0 | 3 | 4.7 | CCN1CCC(c2ccccc2)=C(C(=O)OCCCCc2ccccc2)C1 | 10.1021/jm980067l | ||
| 10546275 | 15170 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 357 | 11 | 0 | 3 | 5.5 | CCCCCCCCCOC(=O)C1=C(c2ccccc2)CCN(CC)C1 | 10.1021/jm980067l | ||
| CHEMBL121059 | 15170 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 357 | 11 | 0 | 3 | 5.5 | CCCCCCCCCOC(=O)C1=C(c2ccccc2)CCN(CC)C1 | 10.1021/jm980067l | ||
| 191 | 402 | 98 | None | -45 | 29 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | nan | ||
| 201 | 402 | 98 | None | -45 | 29 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | nan | ||
| 2170 | 402 | 98 | None | -45 | 29 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | nan | ||
| CHEMBL1113 | 402 | 98 | None | -45 | 29 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | nan | ||
| DB00543 | 402 | 98 | None | -45 | 29 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | nan | ||
| 13457898 | 203202 | 0 | None | - | 0 | Rat | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 264 | 1 | 1 | 2 | 2.8 | c1ccc(C2CN3CCNCC3c3ccccc32)cc1 | 10.1021/jm00374a011 | ||
| CHEMBL6445 | 203202 | 0 | None | - | 0 | Rat | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 264 | 1 | 1 | 2 | 2.8 | c1ccc(C2CN3CCNCC3c3ccccc32)cc1 | 10.1021/jm00374a011 | ||
| 64143 | 198841 | 62 | None | -2 | 8 | Human | 4.1 | pIC50 | = | 4.1 | Binding | ChEMBL | 567 | 9 | 4 | 6 | 4.7 | Cc1c(O)cccc1C(=O)N[C@@H](CSc1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C | nan | ||
| CHEMBL584 | 198841 | 62 | None | -2 | 8 | Human | 4.1 | pIC50 | = | 4.1 | Binding | ChEMBL | 567 | 9 | 4 | 6 | 4.7 | Cc1c(O)cccc1C(=O)N[C@@H](CSc1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C | nan | ||
| 44302775 | 202773 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 406 | 4 | 1 | 5 | 4.5 | CCOC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2cc(OCC)ccc2C1O3 | 10.1016/s0960-894x(98)00351-5 | ||
| CHEMBL62247 | 202773 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 406 | 4 | 1 | 5 | 4.5 | CCOC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2cc(OCC)ccc2C1O3 | 10.1016/s0960-894x(98)00351-5 | ||
| 10595006 | 11413 | 0 | None | -2 | 5 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 365 | 7 | 0 | 4 | 4.0 | CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc(OC)cc2)C1 | 10.1021/jm980067l | ||
| CHEMBL1180343 | 11413 | 0 | None | -2 | 5 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 365 | 7 | 0 | 4 | 4.0 | CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc(OC)cc2)C1 | 10.1021/jm980067l | ||
| CHEMBL123099 | 11413 | 0 | None | -2 | 5 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 365 | 7 | 0 | 4 | 4.0 | CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc(OC)cc2)C1 | 10.1021/jm980067l | ||
| 10595006 | 11413 | 0 | None | -2 | 5 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 365 | 7 | 0 | 4 | 4.0 | CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc(OC)cc2)C1 | 10.1021/jm301774u | ||
| CHEMBL1180343 | 11413 | 0 | None | -2 | 5 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 365 | 7 | 0 | 4 | 4.0 | CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc(OC)cc2)C1 | 10.1021/jm301774u | ||
| CHEMBL123099 | 11413 | 0 | None | -2 | 5 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 365 | 7 | 0 | 4 | 4.0 | CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc(OC)cc2)C1 | 10.1021/jm301774u | ||
| CHEMBL5274220 | 193779 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 443 | 4 | 1 | 6 | 3.1 | C[C@H]1CN(S(=O)(=O)c2ccc3c(c2)CCO3)C[C@@H]1C(=O)Nc1ccc2scnc2c1 | 10.1016/j.bmcl.2022.129021 | ||
| 2774 | 3839 | 95 | None | -4 | 10 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | nan | ||
| 5593 | 3839 | 95 | None | -4 | 10 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | nan | ||
| 7319 | 3839 | 95 | None | -4 | 10 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | nan | ||
| CHEMBL1200604 | 3839 | 95 | None | -4 | 10 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | nan | ||
| DB00809 | 3839 | 95 | None | -4 | 10 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | nan | ||
| DB01199 | 3839 | 95 | None | -4 | 10 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | nan | ||
| 100 | 3776 | 58 | None | -4 | 56 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | ||
| 2637 | 3776 | 58 | None | -4 | 56 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | ||
| 5452 | 3776 | 58 | None | -4 | 56 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | ||
| CHEMBL479 | 3776 | 58 | None | -4 | 56 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | ||
| DB00679 | 3776 | 58 | None | -4 | 56 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | ||
| 13457935 | 203234 | 0 | None | - | 0 | Rat | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 312 | 1 | 0 | 2 | 3.8 | CN1CCN2CC(c3ccc(Cl)cc3)c3ccccc3C2C1 | 10.1021/jm00374a011 | ||
| CHEMBL6459 | 203234 | 0 | None | - | 0 | Rat | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 312 | 1 | 0 | 2 | 3.8 | CN1CCN2CC(c3ccc(Cl)cc3)c3ccccc3C2C1 | 10.1021/jm00374a011 | ||
| 10759393 | 84356 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 337 | 6 | 0 | 3 | 3.9 | CCN1CC[C@@H](c2ccccc2)[C@H](C(=O)OCCc2ccccc2)C1 | 10.1021/jm980067l | ||
| CHEMBL2112589 | 84356 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 337 | 6 | 0 | 3 | 3.9 | CCN1CC[C@@H](c2ccccc2)[C@H](C(=O)OCCc2ccccc2)C1 | 10.1021/jm980067l | ||
| CHEMBL2219563 | 84356 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 337 | 6 | 0 | 3 | 3.9 | CCN1CC[C@@H](c2ccccc2)[C@H](C(=O)OCCc2ccccc2)C1 | 10.1021/jm980067l | ||
| 10610375 | 11390 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 245 | 3 | 0 | 3 | 2.3 | CCN1CCC(c2ccccc2)=C(C(=O)OC)C1 | 10.1021/jm301774u | ||
| CHEMBL1180284 | 11390 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 245 | 3 | 0 | 3 | 2.3 | CCN1CCC(c2ccccc2)=C(C(=O)OC)C1 | 10.1021/jm301774u | ||
| CHEMBL120109 | 11390 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 245 | 3 | 0 | 3 | 2.3 | CCN1CCC(c2ccccc2)=C(C(=O)OC)C1 | 10.1021/jm301774u | ||
| 10610375 | 11390 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 245 | 3 | 0 | 3 | 2.3 | CCN1CCC(c2ccccc2)=C(C(=O)OC)C1 | 10.1021/jm980067l | ||
| CHEMBL1180284 | 11390 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 245 | 3 | 0 | 3 | 2.3 | CCN1CCC(c2ccccc2)=C(C(=O)OC)C1 | 10.1021/jm980067l | ||
| CHEMBL120109 | 11390 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 245 | 3 | 0 | 3 | 2.3 | CCN1CCC(c2ccccc2)=C(C(=O)OC)C1 | 10.1021/jm980067l | ||
| 164612037 | 185353 | 0 | None | -3 | 20 | Human | 9.7 | pKd | = | 9.7 | Binding | ChEMBL | 326 | 8 | 4 | 4 | 1.8 | CCCCCNC(=O)/N=C(\N)NCCCc1sc(N)nc1C | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL4860528 | 185353 | 0 | None | -3 | 20 | Human | 9.7 | pKd | = | 9.7 | Binding | ChEMBL | 326 | 8 | 4 | 4 | 1.8 | CCCCCNC(=O)/N=C(\N)NCCCc1sc(N)nc1C | 10.1021/acs.jmedchem.1c00692 | ||
| 168290235 | 192944 | 0 | None | -13 | 20 | Human | 9.7 | pKd | = | 9.7 | Binding | ChEMBL | 315 | 6 | 4 | 3 | 1.1 | C[C@@H](NC(=O)/N=C(\N)NCCCc1ncn[nH]1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5201074 | 192944 | 0 | None | -13 | 20 | Human | 9.7 | pKd | = | 9.7 | Binding | ChEMBL | 315 | 6 | 4 | 3 | 1.1 | C[C@@H](NC(=O)/N=C(\N)NCCCc1ncn[nH]1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5222491 | 192944 | 0 | None | -13 | 20 | Human | 9.7 | pKd | = | 9.7 | Binding | ChEMBL | 315 | 6 | 4 | 3 | 1.1 | C[C@@H](NC(=O)/N=C(\N)NCCCc1ncn[nH]1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | ||
| 168294767 | 192995 | 0 | None | -3 | 20 | Human | 9.7 | pKd | = | 9.7 | Binding | ChEMBL | 313 | 8 | 4 | 5 | 0.9 | CCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5207281 | 192995 | 0 | None | -3 | 20 | Human | 9.7 | pKd | = | 9.7 | Binding | ChEMBL | 313 | 8 | 4 | 5 | 0.9 | CCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5222802 | 192995 | 0 | None | -3 | 20 | Human | 9.7 | pKd | = | 9.7 | Binding | ChEMBL | 313 | 8 | 4 | 5 | 0.9 | CCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| 168295528 | 193007 | 0 | None | -3 | 20 | Human | 9.7 | pKd | = | 9.7 | Binding | ChEMBL | 333 | 6 | 4 | 5 | 0.9 | N/C(=N\C(=O)NCc1ccccc1)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5206565 | 193007 | 0 | None | -3 | 20 | Human | 9.7 | pKd | = | 9.7 | Binding | ChEMBL | 333 | 6 | 4 | 5 | 0.9 | N/C(=N\C(=O)NCc1ccccc1)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5222872 | 193007 | 0 | None | -3 | 20 | Human | 9.7 | pKd | = | 9.7 | Binding | ChEMBL | 333 | 6 | 4 | 5 | 0.9 | N/C(=N\C(=O)NCc1ccccc1)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| 367 | 3795 | 12 | None | -5 | 8 | Human | 10.6 | pKi | = | 10.6 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm200884j | ||
| 5487427 | 3795 | 12 | None | -5 | 8 | Human | 10.6 | pKi | = | 10.6 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm200884j | ||
| 8592 | 3795 | 12 | None | -5 | 8 | Human | 10.6 | pKi | = | 10.6 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm200884j | ||
| CHEMBL1900528 | 3795 | 12 | None | -5 | 8 | Human | 10.6 | pKi | = | 10.6 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm200884j | ||
| CHEMBL3305968 | 3795 | 12 | None | -5 | 8 | Human | 10.6 | pKi | = | 10.6 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm200884j | ||
| CHEMBL4650755 | 3795 | 12 | None | -5 | 8 | Human | 10.6 | pKi | = | 10.6 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm200884j | ||
| DB01409 | 3795 | 12 | None | -5 | 8 | Human | 10.6 | pKi | = | 10.6 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm200884j | ||
| 16116085 | 11814 | 0 | None | 1 | 5 | Human | 10.0 | pKi | = | 10.0 | Binding | ChEMBL | 346 | 3 | 0 | 2 | 4.8 | C[N+]1(C)CCC[C@H]1[C@H]1CS[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1021/jm061374r | ||
| CHEMBL1182201 | 11814 | 0 | None | 1 | 5 | Human | 10.0 | pKi | = | 10.0 | Binding | ChEMBL | 346 | 3 | 0 | 2 | 4.8 | C[N+]1(C)CCC[C@H]1[C@H]1CS[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1021/jm061374r | ||
| CHEMBL219786 | 11814 | 0 | None | 1 | 5 | Human | 10.0 | pKi | = | 10.0 | Binding | ChEMBL | 346 | 3 | 0 | 2 | 4.8 | C[N+]1(C)CCC[C@H]1[C@H]1CS[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1021/jm061374r | ||
| 154417 | 93231 | 60 | None | -1 | 9 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | CN1[C@H]2CC[C@@H]1CC(OC(=O)[C@H](CO)c1ccccc1)C2 | 10.1016/j.bmcl.2013.04.082 | ||
| CHEMBL2449003 | 93231 | 60 | None | -1 | 9 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | CN1[C@H]2CC[C@@H]1CC(OC(=O)[C@H](CO)c1ccccc1)C2 | 10.1016/j.bmcl.2013.04.082 | ||
| 16065403 | 67906 | 23 | None | -1 | 5 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 444 | 9 | 2 | 4 | 4.5 | CC(C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)N1CC(Oc2cccc(O)c2)C1 | 10.1021/jm200884j | ||
| CHEMBL1910856 | 67906 | 23 | None | -1 | 5 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 444 | 9 | 2 | 4 | 4.5 | CC(C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)N1CC(Oc2cccc(O)c2)C1 | 10.1021/jm200884j | ||
| 16115945 | 12265 | 0 | None | 1 | 5 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 346 | 3 | 0 | 2 | 4.8 | C[N+]1(C)CCC[C@H]1[C@H]1CS[C@](c2ccccc2)(C2CCCCC2)O1 | 10.1021/jm061374r | ||
| CHEMBL1184886 | 12265 | 0 | None | 1 | 5 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 346 | 3 | 0 | 2 | 4.8 | C[N+]1(C)CCC[C@H]1[C@H]1CS[C@](c2ccccc2)(C2CCCCC2)O1 | 10.1021/jm061374r | ||
| CHEMBL376057 | 12265 | 0 | None | 1 | 5 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 346 | 3 | 0 | 2 | 4.8 | C[N+]1(C)CCC[C@H]1[C@H]1CS[C@](c2ccccc2)(C2CCCCC2)O1 | 10.1021/jm061374r | ||
| 316 | 2816 | 19 | None | -9 | 9 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm061374r | ||
| 317 | 2816 | 19 | None | -9 | 9 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm061374r | ||
| 71183 | 2816 | 19 | None | -9 | 9 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm061374r | ||
| CHEMBL3140030 | 2816 | 19 | None | -9 | 9 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm061374r | ||
| CHEMBL376897 | 2816 | 19 | None | -9 | 9 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm061374r | ||
| DB00462 | 2816 | 19 | None | -9 | 9 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm061374r | ||
| 316 | 2816 | 19 | None | -9 | 9 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm2013216 | ||
| 317 | 2816 | 19 | None | -9 | 9 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm2013216 | ||
| 71183 | 2816 | 19 | None | -9 | 9 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm2013216 | ||
| CHEMBL3140030 | 2816 | 19 | None | -9 | 9 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm2013216 | ||
| CHEMBL376897 | 2816 | 19 | None | -9 | 9 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm2013216 | ||
| DB00462 | 2816 | 19 | None | -9 | 9 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm2013216 | ||
| 316 | 2816 | 19 | None | -9 | 9 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm901048j | ||
| 317 | 2816 | 19 | None | -9 | 9 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm901048j | ||
| 71183 | 2816 | 19 | None | -9 | 9 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm901048j | ||
| CHEMBL3140030 | 2816 | 19 | None | -9 | 9 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm901048j | ||
| CHEMBL376897 | 2816 | 19 | None | -9 | 9 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm901048j | ||
| DB00462 | 2816 | 19 | None | -9 | 9 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm901048j | ||
| 1734 | 116 | 10 | None | -1 | 13 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | 10.1016/j.ejmech.2013.01.044 | ||
| 307 | 116 | 10 | None | -1 | 13 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | 10.1016/j.ejmech.2013.01.044 | ||
| CHEMBL168067 | 116 | 10 | None | -1 | 13 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | 10.1016/j.ejmech.2013.01.044 | ||
| 49800047 | 14451 | 1 | None | -3 | 5 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | C[N+]1(C)[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@H]1[C@H]1O[C@@H]21 | nan | ||
| CHEMBL1201024 | 14451 | 1 | None | -3 | 5 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | C[N+]1(C)[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@H]1[C@H]1O[C@@H]21 | nan | ||
| CHEMBL1201268 | 14451 | 1 | None | -3 | 5 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | C[N+]1(C)[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@H]1[C@H]1O[C@@H]21 | nan | ||
| 154417 | 93231 | 60 | None | -1 | 9 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | CN1[C@H]2CC[C@@H]1CC(OC(=O)[C@H](CO)c1ccccc1)C2 | 10.1016/j.bmcl.2013.12.024 | ||
| CHEMBL2449003 | 93231 | 60 | None | -1 | 9 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | CN1[C@H]2CC[C@@H]1CC(OC(=O)[C@H](CO)c1ccccc1)C2 | 10.1016/j.bmcl.2013.12.024 | ||
| 154417 | 93231 | 60 | None | -1 | 9 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | CN1[C@H]2CC[C@@H]1CC(OC(=O)[C@H](CO)c1ccccc1)C2 | 10.1016/j.bmcl.2013.12.024 | ||
| CHEMBL2449003 | 93231 | 60 | None | -1 | 9 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | CN1[C@H]2CC[C@@H]1CC(OC(=O)[C@H](CO)c1ccccc1)C2 | 10.1016/j.bmcl.2013.12.024 | ||
| 174174 | 521 | 49 | None | -2 | 14 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1016/j.bmc.2011.08.033 | ||
| 260 | 521 | 49 | None | -2 | 14 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1016/j.bmc.2011.08.033 | ||
| 320 | 521 | 49 | None | -2 | 14 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1016/j.bmc.2011.08.033 | ||
| CHEMBL517712 | 521 | 49 | None | -2 | 14 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1016/j.bmc.2011.08.033 | ||
| DB00572 | 521 | 49 | None | -2 | 14 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1016/j.bmc.2011.08.033 | ||
| 16116083 | 12264 | 0 | None | -1 | 5 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 340 | 3 | 0 | 2 | 4.3 | C[N+]1(C)CCC[C@H]1[C@H]1CSC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm061374r | ||
| CHEMBL1184884 | 12264 | 0 | None | -1 | 5 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 340 | 3 | 0 | 2 | 4.3 | C[N+]1(C)CCC[C@H]1[C@H]1CSC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm061374r | ||
| CHEMBL375969 | 12264 | 0 | None | -1 | 5 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 340 | 3 | 0 | 2 | 4.3 | C[N+]1(C)CCC[C@H]1[C@H]1CSC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm061374r | ||
| 1734 | 116 | 10 | None | -1 | 13 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | 10.1021/jm8007618 | ||
| 307 | 116 | 10 | None | -1 | 13 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | 10.1021/jm8007618 | ||
| CHEMBL168067 | 116 | 10 | None | -1 | 13 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | 10.1021/jm8007618 | ||
| 1734 | 116 | 10 | None | -1 | 13 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | 10.1021/jm401895u | ||
| 307 | 116 | 10 | None | -1 | 13 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | 10.1021/jm401895u | ||
| CHEMBL168067 | 116 | 10 | None | -1 | 13 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | 10.1021/jm401895u | ||
| 174174 | 521 | 49 | None | -2 | 14 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm010480k | ||
| 260 | 521 | 49 | None | -2 | 14 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm010480k | ||
| 320 | 521 | 49 | None | -2 | 14 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm010480k | ||
| CHEMBL517712 | 521 | 49 | None | -2 | 14 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm010480k | ||
| DB00572 | 521 | 49 | None | -2 | 14 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm010480k | ||
| 174174 | 521 | 49 | None | -2 | 14 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1016/j.bmcl.2018.12.022 | ||
| 260 | 521 | 49 | None | -2 | 14 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1016/j.bmcl.2018.12.022 | ||
| 320 | 521 | 49 | None | -2 | 14 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1016/j.bmcl.2018.12.022 | ||
| CHEMBL517712 | 521 | 49 | None | -2 | 14 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1016/j.bmcl.2018.12.022 | ||
| DB00572 | 521 | 49 | None | -2 | 14 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1016/j.bmcl.2018.12.022 | ||
| 46188794 | 178295 | 0 | None | -2 | 5 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 318 | 4 | 0 | 2 | 3.6 | C[N+](C)(C)C[C@H]1COC[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4645580 | 178295 | 0 | None | -2 | 5 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 318 | 4 | 0 | 2 | 3.6 | C[N+](C)(C)C[C@H]1COC[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4651099 | 178295 | 0 | None | -2 | 5 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 318 | 4 | 0 | 2 | 3.6 | C[N+](C)(C)C[C@H]1COC[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1021/acs.jmedchem.9b02100 | ||
| 174174 | 521 | 49 | None | -2 | 14 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | nan | ||
| 260 | 521 | 49 | None | -2 | 14 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | nan | ||
| 320 | 521 | 49 | None | -2 | 14 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | nan | ||
| CHEMBL517712 | 521 | 49 | None | -2 | 14 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | nan | ||
| DB00572 | 521 | 49 | None | -2 | 14 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | nan | ||
| 16115947 | 11817 | 0 | None | -1 | 5 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 346 | 3 | 0 | 2 | 4.8 | C[N+]1(C)CCC[C@@H]1[C@@H]1CS[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1021/jm061374r | ||
| CHEMBL1182214 | 11817 | 0 | None | -1 | 5 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 346 | 3 | 0 | 2 | 4.8 | C[N+]1(C)CCC[C@@H]1[C@@H]1CS[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1021/jm061374r | ||
| CHEMBL222259 | 11817 | 0 | None | -1 | 5 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 346 | 3 | 0 | 2 | 4.8 | C[N+]1(C)CCC[C@@H]1[C@@H]1CS[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1021/jm061374r | ||
| 174174 | 521 | 49 | None | -1 | 14 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1038/nchembio.2007.55 | ||
| 260 | 521 | 49 | None | -1 | 14 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1038/nchembio.2007.55 | ||
| 320 | 521 | 49 | None | -1 | 14 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1038/nchembio.2007.55 | ||
| CHEMBL517712 | 521 | 49 | None | -1 | 14 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1038/nchembio.2007.55 | ||
| DB00572 | 521 | 49 | None | -1 | 14 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1038/nchembio.2007.55 | ||
| 174174 | 521 | 49 | None | -2 | 14 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm100697g | ||
| 260 | 521 | 49 | None | -2 | 14 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm100697g | ||
| 320 | 521 | 49 | None | -2 | 14 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm100697g | ||
| CHEMBL517712 | 521 | 49 | None | -2 | 14 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm100697g | ||
| DB00572 | 521 | 49 | None | -2 | 14 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm100697g | ||
| 25897919 | 55622 | 14 | None | -5 | 8 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 332 | 5 | 1 | 3 | 2.9 | CC(C)[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)C(CO)c1ccccc1)C2 | 10.1021/jm200884j | ||
| 657309 | 55622 | 14 | None | -5 | 8 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 332 | 5 | 1 | 3 | 2.9 | CC(C)[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)C(CO)c1ccccc1)C2 | 10.1021/jm200884j | ||
| CHEMBL1464005 | 55622 | 14 | None | -5 | 8 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 332 | 5 | 1 | 3 | 2.9 | CC(C)[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)C(CO)c1ccccc1)C2 | 10.1021/jm200884j | ||
| CHEMBL1621597 | 55622 | 14 | None | -5 | 8 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 332 | 5 | 1 | 3 | 2.9 | CC(C)[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)C(CO)c1ccccc1)C2 | 10.1021/jm200884j | ||
| 44610056 | 123965 | 0 | None | -7 | 5 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 704 | 14 | 5 | 9 | 5.5 | O=c1ccc2c([C@@H](O)CNCCc3ccc(CCN4CCC(Cn5cnc([C@](O)(c6ccccc6)C6CCCCC6)n5)CC4)cc3)ccc(O)c2[nH]1 | 10.1016/j.bmcl.2015.10.008 | ||
| CHEMBL3629360 | 123965 | 0 | None | -7 | 5 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 704 | 14 | 5 | 9 | 5.5 | O=c1ccc2c([C@@H](O)CNCCc3ccc(CCN4CCC(Cn5cnc([C@](O)(c6ccccc6)C6CCCCC6)n5)CC4)cc3)ccc(O)c2[nH]1 | 10.1016/j.bmcl.2015.10.008 | ||
| 316 | 2816 | 19 | None | -9 | 9 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm500790x | ||
| 317 | 2816 | 19 | None | -9 | 9 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm500790x | ||
| 71183 | 2816 | 19 | None | -9 | 9 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm500790x | ||
| CHEMBL3140030 | 2816 | 19 | None | -9 | 9 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm500790x | ||
| CHEMBL376897 | 2816 | 19 | None | -9 | 9 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm500790x | ||
| DB00462 | 2816 | 19 | None | -9 | 9 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm500790x | ||
| 16115799 | 83413 | 0 | None | -1 | 5 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 331 | 3 | 0 | 3 | 4.6 | CN1CCC[C@@H]1[C@@H]1CS[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1021/jm061374r | ||
| CHEMBL219825 | 83413 | 0 | None | -1 | 5 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 331 | 3 | 0 | 3 | 4.6 | CN1CCC[C@@H]1[C@@H]1CS[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1021/jm061374r | ||
| 11968014 | 12726 | 5 | None | -3 | 9 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 303 | 4 | 1 | 5 | 0.9 | CN1[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@@H]1O[C@H]12 | 10.1021/jm500790x | ||
| CHEMBL1187846 | 12726 | 5 | None | -3 | 9 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 303 | 4 | 1 | 5 | 0.9 | CN1[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@@H]1O[C@H]12 | 10.1021/jm500790x | ||
| 16115951 | 141618 | 0 | None | -1 | 5 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 331 | 3 | 0 | 3 | 4.6 | CN1CCC[C@H]1[C@H]1CS[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1021/jm061374r | ||
| CHEMBL385328 | 141618 | 0 | None | -1 | 5 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 331 | 3 | 0 | 3 | 4.6 | CN1CCC[C@H]1[C@H]1CS[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1021/jm061374r | ||
| 1201549 | 594 | 24 | None | -3 | 20 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | ||
| 333 | 594 | 24 | None | -3 | 20 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | ||
| 7601 | 594 | 24 | None | -3 | 20 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | ||
| CHEMBL1201203 | 594 | 24 | None | -3 | 20 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | ||
| CHEMBL438151 | 594 | 24 | None | -3 | 20 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | ||
| DB00245 | 594 | 24 | None | -3 | 20 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | ||
| 174174 | 521 | 49 | None | -2 | 14 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm500995y | ||
| 260 | 521 | 49 | None | -2 | 14 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm500995y | ||
| 320 | 521 | 49 | None | -2 | 14 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm500995y | ||
| CHEMBL517712 | 521 | 49 | None | -2 | 14 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm500995y | ||
| DB00572 | 521 | 49 | None | -2 | 14 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm500995y | ||
| 156014269 | 177192 | 0 | None | -1 | 5 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 303 | 4 | 0 | 3 | 3.4 | CN(C)C[C@H]1COC[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4635500 | 177192 | 0 | None | -1 | 5 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 303 | 4 | 0 | 3 | 3.4 | CN(C)C[C@H]1COC[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1021/acs.jmedchem.9b02100 | ||
| 44627858 | 14006 | 0 | None | -2 | 5 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 354 | 4 | 1 | 2 | 5.0 | C[N+]1(C)CCC[C@@H]1c1ccc([C@](O)(c2ccccc2)C2CCCCC2)o1 | 10.1021/jm901048j | ||
| CHEMBL1197382 | 14006 | 0 | None | -2 | 5 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 354 | 4 | 1 | 2 | 5.0 | C[N+]1(C)CCC[C@@H]1c1ccc([C@](O)(c2ccccc2)C2CCCCC2)o1 | 10.1021/jm901048j | ||
| CHEMBL569307 | 14006 | 0 | None | -2 | 5 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 354 | 4 | 1 | 2 | 5.0 | C[N+]1(C)CCC[C@@H]1c1ccc([C@](O)(c2ccccc2)C2CCCCC2)o1 | 10.1021/jm901048j | ||
| 10274019 | 204228 | 0 | None | -23 | 5 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 425 | 6 | 0 | 3 | 6.0 | COc1ccc([S+]([O-])c2ccc(C(C)C3CCN(C4CCCCC4)CC3)cc2)cc1 | 10.1016/s0960-894x(00)00437-6 | ||
| CHEMBL71124 | 204228 | 0 | None | -23 | 5 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 425 | 6 | 0 | 3 | 6.0 | COc1ccc([S+]([O-])c2ccc(C(C)C3CCN(C4CCCCC4)CC3)cc2)cc1 | 10.1016/s0960-894x(00)00437-6 | ||
| 57326235 | 77156 | 0 | None | -3 | 5 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 312 | 4 | 0 | 2 | 3.1 | C[N+](C)(C)C[C@H]1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm2013216 | ||
| CHEMBL2042405 | 77156 | 0 | None | -3 | 5 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 312 | 4 | 0 | 2 | 3.1 | C[N+](C)(C)C[C@H]1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm2013216 | ||
| CHEMBL2079009 | 77156 | 0 | None | -3 | 5 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 312 | 4 | 0 | 2 | 3.1 | C[N+](C)(C)C[C@H]1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm2013216 | ||
| 3042 | 1402 | 35 | None | -2 | 15 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | nan | ||
| 355 | 1402 | 35 | None | -2 | 15 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | nan | ||
| 868 | 1402 | 35 | None | -2 | 15 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | nan | ||
| CHEMBL1123 | 1402 | 35 | None | -2 | 15 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | nan | ||
| DB00804 | 1402 | 35 | None | -2 | 15 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | nan | ||
| 155541812 | 173026 | 0 | None | 1 | 5 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 368 | 5 | 0 | 3 | 4.1 | O=C(OC1CN2CCC1CC2)N(CCc1ccc(F)cc1)c1ccccc1 | 10.1016/j.bmcl.2018.12.022 | ||
| CHEMBL4519301 | 173026 | 0 | None | 1 | 5 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 368 | 5 | 0 | 3 | 4.1 | O=C(OC1CN2CCC1CC2)N(CCc1ccc(F)cc1)c1ccccc1 | 10.1016/j.bmcl.2018.12.022 | ||
| 154417 | 93231 | 60 | None | -6 | 9 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | CN1[C@H]2CC[C@@H]1CC(OC(=O)[C@H](CO)c1ccccc1)C2 | 10.1016/j.bmcl.2007.12.051 | ||
| CHEMBL2449003 | 93231 | 60 | None | -6 | 9 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | CN1[C@H]2CC[C@@H]1CC(OC(=O)[C@H](CO)c1ccccc1)C2 | 10.1016/j.bmcl.2007.12.051 | ||
| 57326326 | 77149 | 0 | None | -1 | 5 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 297 | 4 | 0 | 3 | 2.9 | CN(C)C[C@H]1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm2013216 | ||
| CHEMBL2042553 | 77149 | 0 | None | -1 | 5 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 297 | 4 | 0 | 3 | 2.9 | CN(C)C[C@H]1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm2013216 | ||
| CHEMBL2078942 | 77149 | 0 | None | -1 | 5 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 297 | 4 | 0 | 3 | 2.9 | CN(C)C[C@H]1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm2013216 | ||
| 57326326 | 77149 | 0 | None | -1 | 5 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 297 | 4 | 0 | 3 | 2.9 | CN(C)C[C@H]1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.ejmech.2017.06.004 | ||
| CHEMBL2042553 | 77149 | 0 | None | -1 | 5 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 297 | 4 | 0 | 3 | 2.9 | CN(C)C[C@H]1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.ejmech.2017.06.004 | ||
| CHEMBL2078942 | 77149 | 0 | None | -1 | 5 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 297 | 4 | 0 | 3 | 2.9 | CN(C)C[C@H]1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.ejmech.2017.06.004 | ||
| 16115798 | 137853 | 0 | None | -1 | 5 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 331 | 3 | 0 | 3 | 4.6 | CN1CCC[C@H]1[C@H]1CS[C@](c2ccccc2)(C2CCCCC2)O1 | 10.1021/jm061374r | ||
| CHEMBL376255 | 137853 | 0 | None | -1 | 5 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 331 | 3 | 0 | 3 | 4.6 | CN1CCC[C@H]1[C@H]1CS[C@](c2ccccc2)(C2CCCCC2)O1 | 10.1021/jm061374r | ||
| 16115797 | 138130 | 0 | None | -5 | 5 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 331 | 3 | 0 | 3 | 4.6 | CN1CCC[C@@H]1[C@@H]1CS[C@](c2ccccc2)(C2CCCCC2)O1 | 10.1021/jm061374r | ||
| CHEMBL376870 | 138130 | 0 | None | -5 | 5 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 331 | 3 | 0 | 3 | 4.6 | CN1CCC[C@@H]1[C@@H]1CS[C@](c2ccccc2)(C2CCCCC2)O1 | 10.1021/jm061374r | ||
| 135398745 | 2893 | 112 | None | -8 | 66 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1039/C2MD00311B | ||
| 47 | 2893 | 112 | None | -8 | 66 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1039/C2MD00311B | ||
| CHEMBL715 | 2893 | 112 | None | -8 | 66 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1039/C2MD00311B | ||
| DB00334 | 2893 | 112 | None | -8 | 66 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1039/C2MD00311B | ||
| 155562285 | 175818 | 0 | None | -1 | 5 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 380 | 6 | 0 | 4 | 4.0 | COc1ccc(CCN(C(=O)OC2CN3CCC2CC3)c2ccccc2)cc1 | 10.1016/j.bmcl.2018.12.022 | ||
| CHEMBL4585326 | 175818 | 0 | None | -1 | 5 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 380 | 6 | 0 | 4 | 4.0 | COc1ccc(CCN(C(=O)OC2CN3CCC2CC3)c2ccccc2)cc1 | 10.1016/j.bmcl.2018.12.022 | ||
| 162645520 | 183604 | 0 | None | -23 | 5 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 1117 | 25 | 4 | 11 | 9.5 | O=C(CCCCCNC(=O)COc1ccc(/C=C/C2=[N+]3C(=Cc4ccc(-c5cccs5)n4[B-]3(F)F)C=C2)cc1)NCCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)cn1 | 10.1039/d0md00137f | ||
| CHEMBL4742721 | 183604 | 0 | None | -23 | 5 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 1117 | 25 | 4 | 11 | 9.5 | O=C(CCCCCNC(=O)COc1ccc(/C=C/C2=[N+]3C(=Cc4ccc(-c5cccs5)n4[B-]3(F)F)C=C2)cc1)NCCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)cn1 | 10.1039/d0md00137f | ||
| CHEMBL4802414 | 183604 | 0 | None | -23 | 5 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 1117 | 25 | 4 | 11 | 9.5 | O=C(CCCCCNC(=O)COc1ccc(/C=C/C2=[N+]3C(=Cc4ccc(-c5cccs5)n4[B-]3(F)F)C=C2)cc1)NCCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)cn1 | 10.1039/d0md00137f | ||
| 135398737 | 955 | 93 | None | -8 | 92 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1039/C2MD00311B | ||
| 38 | 955 | 93 | None | -8 | 92 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1039/C2MD00311B | ||
| 722 | 955 | 93 | None | -8 | 92 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1039/C2MD00311B | ||
| CHEMBL42 | 955 | 93 | None | -8 | 92 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1039/C2MD00311B | ||
| DB00363 | 955 | 93 | None | -8 | 92 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1039/C2MD00311B | ||
| 155565074 | 175461 | 0 | None | 2 | 3 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 400 | 6 | 0 | 3 | 4.6 | O=C(OCCCc1ccc(F)c(F)c1)N(c1ccccc1)C1CN2CCC1CC2 | 10.1016/j.bmcl.2018.12.022 | ||
| CHEMBL4577453 | 175461 | 0 | None | 2 | 3 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 400 | 6 | 0 | 3 | 4.6 | O=C(OCCCc1ccc(F)c(F)c1)N(c1ccccc1)C1CN2CCC1CC2 | 10.1016/j.bmcl.2018.12.022 | ||
| 16094810 | 137861 | 0 | None | -1 | 5 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 467 | 16 | 0 | 12 | 3.1 | COc1nsnc1OCCCOCCCOCCCOc1nsnc1-c1cccnc1 | 10.1021/jm0606995 | ||
| CHEMBL376295 | 137861 | 0 | None | -1 | 5 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 467 | 16 | 0 | 12 | 3.1 | COc1nsnc1OCCCOCCCOCCCOc1nsnc1-c1cccnc1 | 10.1021/jm0606995 | ||
| 16094788 | 141890 | 0 | None | -39 | 5 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 531 | 19 | 0 | 14 | 1.6 | COc1nsnc1OCCOCCOCCOCCOCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm0606995 | ||
| CHEMBL386983 | 141890 | 0 | None | -39 | 5 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 531 | 19 | 0 | 14 | 1.6 | COc1nsnc1OCCOCCOCCOCCOCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm0606995 | ||
| 25025581 | 201973 | 0 | None | -1 | 8 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 285 | 4 | 1 | 2 | 3.1 | CCOC[C@H]1[C@@H]2CNC[C@@]21c1ccc(Cl)c(Cl)c1 | 10.1021/jm901818u | ||
| CHEMBL608151 | 201973 | 0 | None | -1 | 8 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 285 | 4 | 1 | 2 | 3.1 | CCOC[C@H]1[C@@H]2CNC[C@@]21c1ccc(Cl)c(Cl)c1 | 10.1021/jm901818u | ||
| 156011112 | 178251 | 0 | None | -5 | 5 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 344 | 5 | 0 | 3 | 4.0 | C[N+](C)(C)C[C@@H]1CO[C@H](c2ccc(Sc3ccccc3)cc2)CO1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4633679 | 178251 | 0 | None | -5 | 5 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 344 | 5 | 0 | 3 | 4.0 | C[N+](C)(C)C[C@@H]1CO[C@H](c2ccc(Sc3ccccc3)cc2)CO1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4650842 | 178251 | 0 | None | -5 | 5 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 344 | 5 | 0 | 3 | 4.0 | C[N+](C)(C)C[C@@H]1CO[C@H](c2ccc(Sc3ccccc3)cc2)CO1 | 10.1021/acs.jmedchem.9b02100 | ||
| 56593934 | 65665 | 0 | None | -2630 | 8 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 383 | 3 | 2 | 4 | 1.7 | CCN/C(=N\S(=O)(=O)c1cccc(Cl)c1)N1CC2(C=N1)CCNCC2 | 10.1021/jm200466r | ||
| CHEMBL1834350 | 65665 | 0 | None | -2630 | 8 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 383 | 3 | 2 | 4 | 1.7 | CCN/C(=N\S(=O)(=O)c1cccc(Cl)c1)N1CC2(C=N1)CCNCC2 | 10.1021/jm200466r | ||
| 118719920 | 115747 | 0 | None | -3 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 509 | 10 | 0 | 7 | 4.5 | CN1CCC=C(c2nsnc2OCCCC2CCN(CCCN3C(=O)CCc4ccccc43)CC2)C1 | 10.1021/jm501173q | ||
| CHEMBL3354066 | 115747 | 0 | None | -3 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 509 | 10 | 0 | 7 | 4.5 | CN1CCC=C(c2nsnc2OCCCC2CCN(CCCN3C(=O)CCc4ccccc43)CC2)C1 | 10.1021/jm501173q | ||
| 2166 | 3101 | 49 | None | -28 | 8 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 10.1016/j.bmc.2007.12.036 | ||
| 305 | 3101 | 49 | None | -28 | 8 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 10.1016/j.bmc.2007.12.036 | ||
| 5910 | 3101 | 49 | None | -28 | 8 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 10.1016/j.bmc.2007.12.036 | ||
| CHEMBL550 | 3101 | 49 | None | -28 | 8 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 10.1016/j.bmc.2007.12.036 | ||
| DB01085 | 3101 | 49 | None | -28 | 8 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 10.1016/j.bmc.2007.12.036 | ||
| 44450624 | 95907 | 0 | None | -15 | 3 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 202 | 1 | 0 | 2 | 1.7 | C[C@H]1O[C@@H]([C@@H]2CCC[N+]2(C)C)CS1 | 10.1016/j.bmc.2007.12.036 | ||
| CHEMBL259344 | 95907 | 0 | None | -15 | 3 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 202 | 1 | 0 | 2 | 1.7 | C[C@H]1O[C@@H]([C@@H]2CCC[N+]2(C)C)CS1 | 10.1016/j.bmc.2007.12.036 | ||
| 11000399 | 59065 | 0 | None | -2 | 5 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 278 | 5 | 0 | 2 | 3.6 | CN(C)CCC1=C(Cc2ccncc2)c2ccccc2C1 | 10.1021/jm020895l | ||
| CHEMBL169680 | 59065 | 0 | None | -2 | 5 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 278 | 5 | 0 | 2 | 3.6 | CN(C)CCC1=C(Cc2ccncc2)c2ccccc2C1 | 10.1021/jm020895l | ||
| 57326144 | 77162 | 0 | None | -1 | 5 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 236 | 3 | 0 | 2 | 1.8 | C[N+](C)(C)C[C@@H]1COC[C@H](c2ccccc2)O1 | 10.1021/jm2013216 | ||
| CHEMBL2042402 | 77162 | 0 | None | -1 | 5 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 236 | 3 | 0 | 2 | 1.8 | C[N+](C)(C)C[C@@H]1COC[C@H](c2ccccc2)O1 | 10.1021/jm2013216 | ||
| CHEMBL2079061 | 77162 | 0 | None | -1 | 5 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 236 | 3 | 0 | 2 | 1.8 | C[N+](C)(C)C[C@@H]1COC[C@H](c2ccccc2)O1 | 10.1021/jm2013216 | ||
| 44627741 | 197659 | 0 | None | -2 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 317 | 4 | 0 | 2 | 5.2 | CN1CCCC1c1ccc(C(c2ccccc2)c2ccccc2)o1 | 10.1021/jm901048j | ||
| CHEMBL571123 | 197659 | 0 | None | -2 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 317 | 4 | 0 | 2 | 5.2 | CN1CCCC1c1ccc(C(c2ccccc2)c2ccccc2)o1 | 10.1021/jm901048j | ||
| 10066972 | 98726 | 0 | None | -3 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 358 | 3 | 0 | 4 | 3.7 | O=C(OC1CN2CCC1CC2)C1=C/C(=C\c2ccncc2)c2ccccc21 | 10.1016/s0960-894x(01)00186-x | ||
| CHEMBL278074 | 98726 | 0 | None | -3 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 358 | 3 | 0 | 4 | 3.7 | O=C(OC1CN2CCC1CC2)C1=C/C(=C\c2ccncc2)c2ccccc21 | 10.1016/s0960-894x(01)00186-x | ||
| 11034265 | 120347 | 0 | None | -9 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 310 | 5 | 0 | 2 | 4.3 | CC(C1=C(CCN(C)C)Cc2ccc(F)cc21)c1ccccn1 | 10.1021/jm020895l | ||
| CHEMBL353290 | 120347 | 0 | None | -9 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 310 | 5 | 0 | 2 | 4.3 | CC(C1=C(CCN(C)C)Cc2ccc(F)cc21)c1ccccn1 | 10.1021/jm020895l | ||
| 10963509 | 18464 | 1 | None | -12 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 687 | 17 | 0 | 6 | 8.6 | COc1ccccc1CN1CCC(C2CCN(CCCCCCCCN3CCC(C4CCN(Cc5ccccc5OC)CC4)CC3)CC2)CC1 | 10.1021/jm0155594 | ||
| CHEMBL127273 | 18464 | 1 | None | -12 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 687 | 17 | 0 | 6 | 8.6 | COc1ccccc1CN1CCC(C2CCN(CCCCCCCCN3CCC(C4CCN(Cc5ccccc5OC)CC4)CC3)CC2)CC1 | 10.1021/jm0155594 | ||
| 155549890 | 173884 | 0 | None | -1 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 368 | 6 | 0 | 4 | 4.0 | COc1ccc(CCN(C(=O)OC2CCCN(C)C2)c2ccccc2)cc1 | 10.1016/j.bmcl.2018.12.022 | ||
| CHEMBL4540291 | 173884 | 0 | None | -1 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 368 | 6 | 0 | 4 | 4.0 | COc1ccc(CCN(C(=O)OC2CCCN(C)C2)c2ccccc2)cc1 | 10.1016/j.bmcl.2018.12.022 | ||
| 57326233 | 77157 | 0 | None | -6 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 312 | 4 | 0 | 2 | 3.1 | C[N+](C)(C)C[C@@H]1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm2013216 | ||
| CHEMBL2042406 | 77157 | 0 | None | -6 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 312 | 4 | 0 | 2 | 3.1 | C[N+](C)(C)C[C@@H]1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm2013216 | ||
| CHEMBL2079010 | 77157 | 0 | None | -6 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 312 | 4 | 0 | 2 | 3.1 | C[N+](C)(C)C[C@@H]1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm2013216 | ||
| 44450622 | 95804 | 0 | None | -7 | 3 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 202 | 1 | 0 | 2 | 1.7 | C[C@H]1O[C@@H]([C@H]2CCC[N+]2(C)C)CS1 | 10.1016/j.bmc.2007.12.036 | ||
| CHEMBL258907 | 95804 | 0 | None | -7 | 3 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 202 | 1 | 0 | 2 | 1.7 | C[C@H]1O[C@@H]([C@H]2CCC[N+]2(C)C)CS1 | 10.1016/j.bmc.2007.12.036 | ||
| 145961152 | 161567 | 0 | None | -6 | 5 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 393 | 4 | 0 | 5 | 3.0 | O=C(O[C@@H]1CN2CCC1CC2)[C@@H]1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.ejmech.2017.06.004 | ||
| CHEMBL4129382 | 161567 | 0 | None | -6 | 5 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 393 | 4 | 0 | 5 | 3.0 | O=C(O[C@@H]1CN2CCC1CC2)[C@@H]1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.ejmech.2017.06.004 | ||
| 176 | 397 | 66 | None | -2 | 31 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | ||
| 2157 | 397 | 66 | None | -2 | 31 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | ||
| 2566 | 397 | 66 | None | -2 | 31 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | ||
| CHEMBL633 | 397 | 66 | None | -2 | 31 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | ||
| DB01118 | 397 | 66 | None | -2 | 31 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | ||
| 155535606 | 172028 | 0 | None | -301 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 1077 | 20 | 5 | 12 | 6.0 | CCC(=O)NCc1cc(C(=O)NCCN2CCC(N3CCC(n4c(=O)[nH]c5ccccc54)CC3)CC2)cc(C(=O)NCCN2CCN(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)CC2)c1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4471882 | 172028 | 0 | None | -301 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 1077 | 20 | 5 | 12 | 6.0 | CCC(=O)NCc1cc(C(=O)NCCN2CCC(N3CCC(n4c(=O)[nH]c5ccccc54)CC3)CC2)cc(C(=O)NCCN2CCN(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)CC2)c1 | 10.1021/acs.jmedchem.8b01967 | ||
| 145961981 | 161507 | 0 | None | -5 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 407 | 4 | 0 | 5 | 3.4 | C[C@]1(C(=O)O[C@@H]2CN3CCC2CC3)COCC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.ejmech.2017.06.004 | ||
| CHEMBL4128497 | 161507 | 0 | None | -5 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 407 | 4 | 0 | 5 | 3.4 | C[C@]1(C(=O)O[C@@H]2CN3CCC2CC3)COCC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.ejmech.2017.06.004 | ||
| CHEMBL5267836 | 193514 | 0 | None | -5 | 5 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 1038 | 20 | 1 | 13 | 9.8 | CN(C)c1ccc2c(-c3ccc(-c4cn(CCCCCn5cc(CCCCCCN6CCC(OC(=O)Nc7ccc(F)cc7-c7ccc(F)c(Cl)c7)CC6)nn5)nn4)cc3C(=O)[O-])c3ccc(=[N+](C)C)cc-3oc2c1 | 10.1021/acs.jmedchem.2c01376 | ||
| 44627746 | 14010 | 0 | None | -5 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 354 | 4 | 1 | 2 | 5.0 | C[N+]1(C)CCCC1c1ccc(C(O)(c2ccccc2)C2CCCCC2)o1 | 10.1021/jm901048j | ||
| CHEMBL1197392 | 14010 | 0 | None | -5 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 354 | 4 | 1 | 2 | 5.0 | C[N+]1(C)CCCC1c1ccc(C(O)(c2ccccc2)C2CCCCC2)o1 | 10.1021/jm901048j | ||
| CHEMBL569760 | 14010 | 0 | None | -5 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 354 | 4 | 1 | 2 | 5.0 | C[N+]1(C)CCCC1c1ccc(C(O)(c2ccccc2)C2CCCCC2)o1 | 10.1021/jm901048j | ||
| 71575548 | 86177 | 0 | None | 4 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 399 | 6 | 0 | 5 | 3.0 | CN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc(S(C)(=O)=O)cc2)C1 | 10.1021/jm301774u | ||
| CHEMBL2312368 | 86177 | 0 | None | 4 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 399 | 6 | 0 | 5 | 3.0 | CN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc(S(C)(=O)=O)cc2)C1 | 10.1021/jm301774u | ||
| 44385809 | 61436 | 0 | None | -331 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 636 | 15 | 3 | 4 | 5.8 | O=C(CCCNC(=O)CNC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NCC1CCCN(CC2CCCCC2)C1 | 10.1021/jm010480k | ||
| CHEMBL177040 | 61436 | 0 | None | -331 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 636 | 15 | 3 | 4 | 5.8 | O=C(CCCNC(=O)CNC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NCC1CCCN(CC2CCCCC2)C1 | 10.1021/jm010480k | ||
| 155550632 | 176505 | 0 | None | -1778 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 845 | 22 | 8 | 10 | 1.9 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4540949 | 176505 | 0 | None | -1778 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 845 | 22 | 8 | 10 | 1.9 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4597071 | 176505 | 0 | None | -1778 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 845 | 22 | 8 | 10 | 1.9 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| 145960827 | 161356 | 0 | None | -2 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 379 | 5 | 0 | 4 | 3.5 | c1ccc(C2(c3ccccc3)COC[C@@H](CO[C@@H]3CN4CCC3CC4)O2)cc1 | 10.1016/j.ejmech.2017.06.004 | ||
| CHEMBL4126290 | 161356 | 0 | None | -2 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 379 | 5 | 0 | 4 | 3.5 | c1ccc(C2(c3ccccc3)COC[C@@H](CO[C@@H]3CN4CCC3CC4)O2)cc1 | 10.1016/j.ejmech.2017.06.004 | ||
| 11808947 | 59423 | 0 | None | -21 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 306 | 5 | 0 | 2 | 4.5 | CC(C1=C(CN(C)C(C)C)Cc2ccccc21)c1ccccn1 | 10.1021/jm020895l | ||
| CHEMBL171216 | 59423 | 0 | None | -21 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 306 | 5 | 0 | 2 | 4.5 | CC(C1=C(CN(C)C(C)C)Cc2ccccc21)c1ccccn1 | 10.1021/jm020895l | ||
| 164623076 | 188543 | 0 | None | -2951 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 888 | 22 | 9 | 12 | 0.6 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@@H](CCCNC(=N)N)NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4872608 | 188543 | 0 | None | -2951 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 888 | 22 | 9 | 12 | 0.6 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@@H](CCCNC(=N)N)NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028732 | 188543 | 0 | None | -2951 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 888 | 22 | 9 | 12 | 0.6 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@@H](CCCNC(=N)N)NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 156015809 | 178294 | 0 | None | -5 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 344 | 5 | 0 | 3 | 4.0 | C[N+](C)(C)C[C@@H]1COC[C@@H](c2ccc(Sc3ccccc3)cc2)O1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4645019 | 178294 | 0 | None | -5 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 344 | 5 | 0 | 3 | 4.0 | C[N+](C)(C)C[C@@H]1COC[C@@H](c2ccc(Sc3ccccc3)cc2)O1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4651096 | 178294 | 0 | None | -5 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 344 | 5 | 0 | 3 | 4.0 | C[N+](C)(C)C[C@@H]1COC[C@@H](c2ccc(Sc3ccccc3)cc2)O1 | 10.1021/acs.jmedchem.9b02100 | ||
| 145962050 | 161608 | 0 | None | -5 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 393 | 4 | 0 | 5 | 3.0 | O=C(O[C@@H]1CN2CCC1CC2)[C@H]1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.ejmech.2017.06.004 | ||
| CHEMBL4130037 | 161608 | 0 | None | -5 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 393 | 4 | 0 | 5 | 3.0 | O=C(O[C@@H]1CN2CCC1CC2)[C@H]1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.ejmech.2017.06.004 | ||
| 10874119 | 4875 | 0 | None | -15 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 454 | 4 | 1 | 5 | 5.3 | COc1ccc2c(c1)CCN1Cc3c(ccc4[nH]c(C)c(C(=O)OCc5ccccc5)c34)OC21 | 10.1021/jm011116o | ||
| CHEMBL104574 | 4875 | 0 | None | -15 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 454 | 4 | 1 | 5 | 5.3 | COc1ccc2c(c1)CCN1Cc3c(ccc4[nH]c(C)c(C(=O)OCc5ccccc5)c34)OC21 | 10.1021/jm011116o | ||
| 11112362 | 4927 | 0 | None | 1 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 410 | 3 | 1 | 3 | 5.5 | COc1ccc2c(c1)CCN1Cc3c(ccc4[nH]c(C)c(Cc5ccccc5)c34)OC21 | 10.1021/jm011116o | ||
| CHEMBL104804 | 4927 | 0 | None | 1 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 410 | 3 | 1 | 3 | 5.5 | COc1ccc2c(c1)CCN1Cc3c(ccc4[nH]c(C)c(Cc5ccccc5)c34)OC21 | 10.1021/jm011116o | ||
| 10160073 | 111162 | 0 | None | -11220 | 5 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 434 | 6 | 1 | 5 | 5.1 | CCCCc1[nH]c2ccc3c(c2c1C(=O)OCC)CN1CCc2cc(OC)ccc2C1O3 | 10.1021/jm301774u | ||
| CHEMBL326450 | 111162 | 0 | None | -11220 | 5 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 434 | 6 | 1 | 5 | 5.1 | CCCCc1[nH]c2ccc3c(c2c1C(=O)OCC)CN1CCc2cc(OC)ccc2C1O3 | 10.1021/jm301774u | ||
| 11001809 | 59051 | 0 | None | -3 | 5 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 322 | 6 | 0 | 4 | 2.7 | CN(C)CCOC(=O)C1=C(Cc2cccnc2)c2ccccc2C1 | 10.1021/jm020895l | ||
| CHEMBL169594 | 59051 | 0 | None | -3 | 5 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 322 | 6 | 0 | 4 | 2.7 | CN(C)CCOC(=O)C1=C(Cc2cccnc2)c2ccccc2C1 | 10.1021/jm020895l | ||
| 10160073 | 111162 | 0 | None | -11220 | 5 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 434 | 6 | 1 | 5 | 5.1 | CCCCc1[nH]c2ccc3c(c2c1C(=O)OCC)CN1CCc2cc(OC)ccc2C1O3 | 10.1021/jm011116o | ||
| CHEMBL326450 | 111162 | 0 | None | -11220 | 5 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 434 | 6 | 1 | 5 | 5.1 | CCCCc1[nH]c2ccc3c(c2c1C(=O)OCC)CN1CCc2cc(OC)ccc2C1O3 | 10.1021/jm011116o | ||
| 71574365 | 86164 | 0 | None | -5 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 363 | 5 | 0 | 4 | 3.5 | CN1CCC(C(=O)OCCc2ccc3c(c2)CCO3)=C(c2ccccc2)C1 | 10.1021/jm301774u | ||
| CHEMBL2312344 | 86164 | 0 | None | -5 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 363 | 5 | 0 | 4 | 3.5 | CN1CCC(C(=O)OCCc2ccc3c(c2)CCO3)=C(c2ccccc2)C1 | 10.1021/jm301774u | ||
| 4011 | 82379 | 49 | None | -15 | 24 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 277 | 4 | 1 | 1 | 4.2 | CNCCCC12CCC(c3ccccc31)c1ccccc12 | nan | ||
| CHEMBL21731 | 82379 | 49 | None | -15 | 24 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 277 | 4 | 1 | 1 | 4.2 | CNCCCC12CCC(c3ccccc31)c1ccccc12 | nan | ||
| 1224 | 1420 | 83 | None | -5 | 13 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | nan | ||
| 3100 | 1420 | 83 | None | -5 | 13 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | nan | ||
| 8980 | 1420 | 83 | None | -5 | 13 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | nan | ||
| 916 | 1420 | 83 | None | -5 | 13 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | nan | ||
| CHEMBL657 | 1420 | 83 | None | -5 | 13 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | nan | ||
| DB01075 | 1420 | 83 | None | -5 | 13 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | nan | ||
| 71575450 | 86174 | 0 | None | 4 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 379 | 8 | 0 | 4 | 4.4 | COc1ccc(CCCCOC(=O)C2=C(c3ccccc3)CCN(C)C2)cc1 | 10.1021/jm301774u | ||
| CHEMBL2312364 | 86174 | 0 | None | 4 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 379 | 8 | 0 | 4 | 4.4 | COc1ccc(CCCCOC(=O)C2=C(c3ccccc3)CCN(C)C2)cc1 | 10.1021/jm301774u | ||
| 36381 | 12910 | 5 | None | -3 | 6 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 265 | 2 | 1 | 2 | 1.9 | OC12C3C4CC5C6C4C1C6C(C53)N2Cc1ccccc1 | 10.1016/j.bmcl.2012.08.046 | ||
| CHEMBL1189234 | 12910 | 5 | None | -3 | 6 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 265 | 2 | 1 | 2 | 1.9 | OC12C3C4CC5C6C4C1C6C(C53)N2Cc1ccccc1 | 10.1016/j.bmcl.2012.08.046 | ||
| 36381 | 12910 | 5 | None | -3 | 6 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 265 | 2 | 1 | 2 | 1.9 | OC12C3C4CC5C6C4C1C6C(C53)N2Cc1ccccc1 | 10.1016/j.bmc.2013.07.045 | ||
| CHEMBL1189234 | 12910 | 5 | None | -3 | 6 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 265 | 2 | 1 | 2 | 1.9 | OC12C3C4CC5C6C4C1C6C(C53)N2Cc1ccccc1 | 10.1016/j.bmc.2013.07.045 | ||
| 10066369 | 120232 | 0 | None | -60 | 6 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 348 | 7 | 0 | 2 | 5.7 | CC(C1=C(CCN(C(C)C)C(C)C)Cc2ccccc21)c1ccccn1 | 10.1021/jm020895l | ||
| CHEMBL352375 | 120232 | 0 | None | -60 | 6 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 348 | 7 | 0 | 2 | 5.7 | CC(C1=C(CCN(C(C)C)C(C)C)Cc2ccccc21)c1ccccn1 | 10.1021/jm020895l | ||
| 3013846 | 188215 | 2 | None | -9 | 5 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 757 | 23 | 5 | 11 | 5.9 | CCCCCCCCCCCC(OC(=O)C(CCCCN(O)C(C)=O)NC(=O)c1coc(-c2ccccc2O)n1)C(C)C(=O)NC1CCCCN(O)C1=O | 10.1021/np050091j | ||
| CHEMBL499519 | 188215 | 2 | None | -9 | 5 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 757 | 23 | 5 | 11 | 5.9 | CCCCCCCCCCCC(OC(=O)C(CCCCN(O)C(C)=O)NC(=O)c1coc(-c2ccccc2O)n1)C(C)C(=O)NC1CCCCN(O)C1=O | 10.1021/np050091j | ||
| CHEMBL5268503 | 193543 | 0 | None | -4 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 1038 | 20 | 1 | 13 | 9.7 | CN(C)c1ccc2c(-c3ccc(-c4cn(CCCCCn5cc(CCCCCN6CCC(COC(=O)Nc7ccc(F)cc7-c7ccc(F)c(Cl)c7)CC6)nn5)nn4)cc3C(=O)[O-])c3ccc(=[N+](C)C)cc-3oc2c1 | 10.1021/acs.jmedchem.2c01376 | ||
| 44627860 | 14003 | 0 | None | -1 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 354 | 4 | 1 | 2 | 5.0 | C[N+]1(C)CCC[C@H]1c1ccc([C@](O)(c2ccccc2)C2CCCCC2)o1 | 10.1021/jm901048j | ||
| CHEMBL1197371 | 14003 | 0 | None | -1 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 354 | 4 | 1 | 2 | 5.0 | C[N+]1(C)CCC[C@H]1c1ccc([C@](O)(c2ccccc2)C2CCCCC2)o1 | 10.1021/jm901048j | ||
| CHEMBL568870 | 14003 | 0 | None | -1 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 354 | 4 | 1 | 2 | 5.0 | C[N+]1(C)CCC[C@H]1c1ccc([C@](O)(c2ccccc2)C2CCCCC2)o1 | 10.1021/jm901048j | ||
| 44568347 | 191627 | 0 | None | -5 | 15 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 356 | 6 | 0 | 4 | 5.2 | CCN(CC)CCCOC(=O)N1c2ccccc2Sc2ccccc21 | 10.1016/j.bmcl.2013.04.082 | ||
| CHEMBL519609 | 191627 | 0 | None | -5 | 15 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 356 | 6 | 0 | 4 | 5.2 | CCN(CC)CCCOC(=O)N1c2ccccc2Sc2ccccc21 | 10.1016/j.bmcl.2013.04.082 | ||
| 71575219 | 86186 | 0 | None | -1 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 365 | 5 | 0 | 5 | 3.6 | CCN1CCC(c2ccccc2)=C(C(=O)OCc2ccc3c(c2)OCO3)C1 | 10.1021/jm301774u | ||
| CHEMBL2312378 | 86186 | 0 | None | -1 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 365 | 5 | 0 | 5 | 3.6 | CCN1CCC(c2ccccc2)=C(C(=O)OCc2ccc3c(c2)OCO3)C1 | 10.1021/jm301774u | ||
| 155557119 | 176487 | 0 | None | -6 | 5 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 868 | 17 | 7 | 8 | 5.1 | CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4555411 | 176487 | 0 | None | -6 | 5 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 868 | 17 | 7 | 8 | 5.1 | CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4596899 | 176487 | 0 | None | -6 | 5 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 868 | 17 | 7 | 8 | 5.1 | CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| 10104167 | 2046 | 2 | None | -13 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 197 | 2 | 0 | 3 | 0.4 | C[N+](CC#CCOC1=NOCC1)(C)C | 10.1021/jm500790x | ||
| 6937 | 2046 | 2 | None | -13 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 197 | 2 | 0 | 3 | 0.4 | C[N+](CC#CCOC1=NOCC1)(C)C | 10.1021/jm500790x | ||
| CHEMBL3121473 | 2046 | 2 | None | -13 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 197 | 2 | 0 | 3 | 0.4 | C[N+](CC#CCOC1=NOCC1)(C)C | 10.1021/jm500790x | ||
| 155565286 | 176242 | 0 | None | -5 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 760 | 18 | 6 | 8 | 2.7 | CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4579642 | 176242 | 0 | None | -5 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 760 | 18 | 6 | 8 | 2.7 | CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4595003 | 176242 | 0 | None | -5 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 760 | 18 | 6 | 8 | 2.7 | CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| 9998508 | 80081 | 0 | None | -2 | 5 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 358 | 3 | 0 | 4 | 3.7 | O=C(OC1CN2CCC1CC2)C1=C/C(=C\c2cccnc2)c2ccccc21 | 10.1016/s0960-894x(01)00186-x | ||
| CHEMBL21321 | 80081 | 0 | None | -2 | 5 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 358 | 3 | 0 | 4 | 3.7 | O=C(OC1CN2CCC1CC2)C1=C/C(=C\c2cccnc2)c2ccccc21 | 10.1016/s0960-894x(01)00186-x | ||
| 9909908 | 13487 | 0 | None | -7 | 5 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 381 | 14 | 1 | 6 | 4.5 | CN1CCC=C(c2nsnc2OCCCCCCCCCCCCO)C1 | 10.1021/jm0301235 | ||
| CHEMBL1193635 | 13487 | 0 | None | -7 | 5 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 381 | 14 | 1 | 6 | 4.5 | CN1CCC=C(c2nsnc2OCCCCCCCCCCCCO)C1 | 10.1021/jm0301235 | ||
| CHEMBL545077 | 13487 | 0 | None | -7 | 5 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 381 | 14 | 1 | 6 | 4.5 | CN1CCC=C(c2nsnc2OCCCCCCCCCCCCO)C1 | 10.1021/jm0301235 | ||
| 155557119 | 176487 | 0 | None | -6 | 5 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 868 | 17 | 7 | 8 | 5.1 | CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4555411 | 176487 | 0 | None | -6 | 5 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 868 | 17 | 7 | 8 | 5.1 | CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4596899 | 176487 | 0 | None | -6 | 5 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 868 | 17 | 7 | 8 | 5.1 | CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 162649253 | 183621 | 0 | None | -114 | 5 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 807 | 12 | 1 | 6 | 7.9 | Cc1cc(/C=C/c2cc3c4c(c2)CCCN4CCC3)cc(C)[n+]1CCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1039/d0md00137f | ||
| CHEMBL4748004 | 183621 | 0 | None | -114 | 5 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 807 | 12 | 1 | 6 | 7.9 | Cc1cc(/C=C/c2cc3c4c(c2)CCCN4CCC3)cc(C)[n+]1CCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1039/d0md00137f | ||
| CHEMBL4802611 | 183621 | 0 | None | -114 | 5 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 807 | 12 | 1 | 6 | 7.9 | Cc1cc(/C=C/c2cc3c4c(c2)CCCN4CCC3)cc(C)[n+]1CCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1039/d0md00137f | ||
| 71575024 | 86191 | 0 | None | 1 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 365 | 7 | 0 | 4 | 4.0 | CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccccc2OC)C1 | 10.1021/jm301774u | ||
| CHEMBL2312386 | 86191 | 0 | None | 1 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 365 | 7 | 0 | 4 | 4.0 | CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccccc2OC)C1 | 10.1021/jm301774u | ||
| 129989 | 450 | 51 | None | -138 | 9 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 463 | 9 | 1 | 5 | 4.5 | CCN(CCCCC1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | 10.1021/acs.jmedchem.8b01967 | ||
| 8584 | 450 | 51 | None | -138 | 9 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 463 | 9 | 1 | 5 | 4.5 | CCN(CCCCC1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL43383 | 450 | 51 | None | -138 | 9 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 463 | 9 | 1 | 5 | 4.5 | CCN(CCCCC1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | 10.1021/acs.jmedchem.8b01967 | ||
| 2200 | 3109 | 46 | None | -8 | 13 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm301774u | ||
| 328 | 3109 | 46 | None | -8 | 13 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm301774u | ||
| 4848 | 3109 | 46 | None | -8 | 13 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm301774u | ||
| CHEMBL9967 | 3109 | 46 | None | -8 | 13 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm301774u | ||
| DB00670 | 3109 | 46 | None | -8 | 13 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm301774u | ||
| 1548953 | 207656 | 27 | None | -5 | 17 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 405 | 9 | 0 | 2 | 6.6 | CCN(CC)CCOc1ccc(/C(=C(/Cl)c2ccccc2)c2ccccc2)cc1 | nan | ||
| CHEMBL954 | 207656 | 27 | None | -5 | 17 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 405 | 9 | 0 | 2 | 6.6 | CCN(CC)CCOc1ccc(/C(=C(/Cl)c2ccccc2)c2ccccc2)cc1 | nan | ||
| 3055 | 1421 | 44 | None | -3 | 9 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 309 | 6 | 1 | 2 | 4.2 | OC(c1ccccc1)(c1ccccc1)CCCN1CCCCC1 | 10.1016/j.bmcl.2008.03.061 | ||
| 313 | 1421 | 44 | None | -3 | 9 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 309 | 6 | 1 | 2 | 4.2 | OC(c1ccccc1)(c1ccccc1)CCCN1CCCCC1 | 10.1016/j.bmcl.2008.03.061 | ||
| 7163 | 1421 | 44 | None | -3 | 9 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 309 | 6 | 1 | 2 | 4.2 | OC(c1ccccc1)(c1ccccc1)CCCN1CCCCC1 | 10.1016/j.bmcl.2008.03.061 | ||
| CHEMBL936 | 1421 | 44 | None | -3 | 9 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 309 | 6 | 1 | 2 | 4.2 | OC(c1ccccc1)(c1ccccc1)CCCN1CCCCC1 | 10.1016/j.bmcl.2008.03.061 | ||
| DB01231 | 1421 | 44 | None | -3 | 9 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 309 | 6 | 1 | 2 | 4.2 | OC(c1ccccc1)(c1ccccc1)CCCN1CCCCC1 | 10.1016/j.bmcl.2008.03.061 | ||
| 145961126 | 161529 | 0 | None | -1 | 5 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 407 | 4 | 0 | 5 | 3.4 | C[C@@]1(C(=O)O[C@@H]2CN3CCC2CC3)COCC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.ejmech.2017.06.004 | ||
| CHEMBL4128764 | 161529 | 0 | None | -1 | 5 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 407 | 4 | 0 | 5 | 3.4 | C[C@@]1(C(=O)O[C@@H]2CN3CCC2CC3)COCC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.ejmech.2017.06.004 | ||
| 155511167 | 169534 | 0 | None | -2 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 432 | 6 | 0 | 3 | 5.7 | O=C(OCCCc1ccc(Cl)c(Cl)c1)N(c1ccccc1)C1CN2CCC1CC2 | 10.1016/j.bmcl.2018.12.022 | ||
| CHEMBL4435641 | 169534 | 0 | None | -2 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 432 | 6 | 0 | 3 | 5.7 | O=C(OCCCc1ccc(Cl)c(Cl)c1)N(c1ccccc1)C1CN2CCC1CC2 | 10.1016/j.bmcl.2018.12.022 | ||
| 155551306 | 173937 | 0 | None | -1 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 396 | 6 | 0 | 3 | 4.8 | Cc1ccc(CCCOC(=O)N(c2ccccc2)C2CN3CCC2CC3)cc1F | 10.1016/j.bmcl.2018.12.022 | ||
| CHEMBL4541518 | 173937 | 0 | None | -1 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 396 | 6 | 0 | 3 | 4.8 | Cc1ccc(CCCOC(=O)N(c2ccccc2)C2CN3CCC2CC3)cc1F | 10.1016/j.bmcl.2018.12.022 | ||
| 6603753 | 108675 | 1 | None | -6 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 176 | 2 | 0 | 2 | 1.2 | C[C@@H]1O[C@H](C[N+](C)(C)C)CS1 | 10.1016/j.bmc.2007.12.036 | ||
| CHEMBL320820 | 108675 | 1 | None | -6 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 176 | 2 | 0 | 2 | 1.2 | C[C@@H]1O[C@H](C[N+](C)(C)C)CS1 | 10.1016/j.bmc.2007.12.036 | ||
| 156015807 | 178275 | 0 | None | -104 | 5 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 1185 | 25 | 3 | 12 | 9.5 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCN3CCN(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc65)CC4)CC3)c3ccc(S(=O)(=O)O)cc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL4641726 | 178275 | 0 | None | -104 | 5 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 1185 | 25 | 3 | 12 | 9.5 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCN3CCN(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc65)CC4)CC3)c3ccc(S(=O)(=O)O)cc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL4650973 | 178275 | 0 | None | -104 | 5 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 1185 | 25 | 3 | 12 | 9.5 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCN3CCN(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc65)CC4)CC3)c3ccc(S(=O)(=O)O)cc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| 155525065 | 176530 | 0 | None | -58 | 5 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 590 | 11 | 4 | 6 | 2.9 | CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4456524 | 176530 | 0 | None | -58 | 5 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 590 | 11 | 4 | 6 | 2.9 | CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4597243 | 176530 | 0 | None | -58 | 5 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 590 | 11 | 4 | 6 | 2.9 | CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| 44448575 | 11885 | 0 | None | -1 | 5 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 324 | 6 | 1 | 3 | 3.0 | CN1CCN(CCCC(O)(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2008.03.061 | ||
| CHEMBL1182650 | 11885 | 0 | None | -1 | 5 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 324 | 6 | 1 | 3 | 3.0 | CN1CCN(CCCC(O)(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2008.03.061 | ||
| CHEMBL258161 | 11885 | 0 | None | -1 | 5 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 324 | 6 | 1 | 3 | 3.0 | CN1CCN(CCCC(O)(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2008.03.061 | ||
| 155551421 | 173942 | 0 | None | 1 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 424 | 7 | 0 | 5 | 4.5 | COc1ccc(CCN(C(=O)OC2C[C@H]3CC[C@H](C2)N3C)c2ccccc2)cc1OC | 10.1016/j.bmcl.2018.12.022 | ||
| CHEMBL4541656 | 173942 | 0 | None | 1 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 424 | 7 | 0 | 5 | 4.5 | COc1ccc(CCN(C(=O)OC2C[C@H]3CC[C@H](C2)N3C)c2ccccc2)cc1OC | 10.1016/j.bmcl.2018.12.022 | ||
| 2028 | 2958 | 80 | None | -5 | 11 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | 10.1021/jm2013216 | ||
| 359 | 2958 | 80 | None | -5 | 11 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | 10.1021/jm2013216 | ||
| 4634 | 2958 | 80 | None | -5 | 11 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | 10.1021/jm2013216 | ||
| CHEMBL1231 | 2958 | 80 | None | -5 | 11 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | 10.1021/jm2013216 | ||
| DB01062 | 2958 | 80 | None | -5 | 11 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | 10.1021/jm2013216 | ||
| 44593626 | 187829 | 0 | None | -2 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 362 | 3 | 0 | 2 | 3.8 | C[N+]1(C)CCC[C@@H]1[C@@H]1C[S+]([O-])[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| CHEMBL496306 | 187829 | 0 | None | -2 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 362 | 3 | 0 | 2 | 3.8 | C[N+]1(C)CCC[C@@H]1[C@@H]1C[S+]([O-])[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| CHEMBL539121 | 187829 | 0 | None | -2 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 362 | 3 | 0 | 2 | 3.8 | C[N+]1(C)CCC[C@@H]1[C@@H]1C[S+]([O-])[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| 71575224 | 86189 | 0 | None | 2 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 336 | 6 | 0 | 4 | 3.3 | CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccncc2)C1 | 10.1021/jm301774u | ||
| CHEMBL2312383 | 86189 | 0 | None | 2 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 336 | 6 | 0 | 4 | 3.3 | CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccncc2)C1 | 10.1021/jm301774u | ||
| 155521894 | 176401 | 0 | None | -1778 | 5 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 852 | 20 | 6 | 10 | 3.6 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4451383 | 176401 | 0 | None | -1778 | 5 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 852 | 20 | 6 | 10 | 3.6 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4596183 | 176401 | 0 | None | -1778 | 5 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 852 | 20 | 6 | 10 | 3.6 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| 156015153 | 178283 | 0 | None | -38 | 5 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 1105 | 24 | 2 | 10 | 10.3 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCN3CCN(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc65)CC4)CC3)c3ccccc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL4641714 | 178283 | 0 | None | -38 | 5 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 1105 | 24 | 2 | 10 | 10.3 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCN3CCN(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc65)CC4)CC3)c3ccccc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL4651018 | 178283 | 0 | None | -38 | 5 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 1105 | 24 | 2 | 10 | 10.3 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCN3CCN(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc65)CC4)CC3)c3ccccc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| 44576913 | 193290 | 0 | None | -6 | 5 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 336 | 4 | 0 | 2 | 3.3 | C[N+](C)(C)C[C@@H]1C[S+]([O-])[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| CHEMBL524186 | 193290 | 0 | None | -6 | 5 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 336 | 4 | 0 | 2 | 3.3 | C[N+](C)(C)C[C@@H]1C[S+]([O-])[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| CHEMBL557808 | 193290 | 0 | None | -6 | 5 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 336 | 4 | 0 | 2 | 3.3 | C[N+](C)(C)C[C@@H]1C[S+]([O-])[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| 44448606 | 11886 | 0 | None | -2 | 5 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 310 | 6 | 2 | 3 | 2.6 | OC(CCCN1CCNCC1)(c1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2008.03.061 | ||
| CHEMBL1182652 | 11886 | 0 | None | -2 | 5 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 310 | 6 | 2 | 3 | 2.6 | OC(CCCN1CCNCC1)(c1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2008.03.061 | ||
| CHEMBL258385 | 11886 | 0 | None | -2 | 5 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 310 | 6 | 2 | 3 | 2.6 | OC(CCCN1CCNCC1)(c1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2008.03.061 | ||
| 11120347 | 120703 | 0 | None | -2 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 306 | 5 | 0 | 2 | 4.5 | Cc1ccc2c(c1)CC(CCN(C)C)=C2C(C)c1ccccn1 | 10.1021/jm020895l | ||
| CHEMBL354841 | 120703 | 0 | None | -2 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 306 | 5 | 0 | 2 | 4.5 | Cc1ccc2c(c1)CC(CCN(C)C)=C2C(C)c1ccccn1 | 10.1021/jm020895l | ||
| 132712 | 171774 | 19 | None | -47 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 567 | 10 | 1 | 5 | 6.1 | CCCC(C)(C)C(=O)N(CC)CCCC1CCN(CC(=O)N2c3ccc(Cl)cc3C(=O)Nc3cccnc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4468100 | 171774 | 19 | None | -47 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 567 | 10 | 1 | 5 | 6.1 | CCCC(C)(C)C(=O)N(CC)CCCC1CCN(CC(=O)N2c3ccc(Cl)cc3C(=O)Nc3cccnc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| 156013536 | 178287 | 0 | None | -2 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 388 | 5 | 0 | 2 | 4.8 | C[N+](C)(C)C[C@@H]1CO[C@@H](c2ccccc2)C(c2ccccc2)(c2ccccc2)O1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4639297 | 178287 | 0 | None | -2 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 388 | 5 | 0 | 2 | 4.8 | C[N+](C)(C)C[C@@H]1CO[C@@H](c2ccccc2)C(c2ccccc2)(c2ccccc2)O1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4651058 | 178287 | 0 | None | -2 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 388 | 5 | 0 | 2 | 4.8 | C[N+](C)(C)C[C@@H]1CO[C@@H](c2ccccc2)C(c2ccccc2)(c2ccccc2)O1 | 10.1021/acs.jmedchem.9b02100 | ||
| 118719925 | 115753 | 0 | None | -194 | 8 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 330 | 7 | 1 | 3 | 2.8 | O=C1CCc2ccccc2N1CCCN1CCC(CCCO)CC1 | 10.1021/jm501173q | ||
| CHEMBL3354072 | 115753 | 0 | None | -194 | 8 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 330 | 7 | 1 | 3 | 2.8 | O=C1CCc2ccccc2N1CCCN1CCC(CCCO)CC1 | 10.1021/jm501173q | ||
| 10225881 | 107594 | 0 | None | -489 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 450 | 6 | 1 | 5 | 5.9 | CCCCc1[nH]c2ccc3c(c2c1C(=O)OCC)CN1CCc2cc(SC)ccc2C1O3 | 10.1021/jm011116o | ||
| CHEMBL318995 | 107594 | 0 | None | -489 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 450 | 6 | 1 | 5 | 5.9 | CCCCc1[nH]c2ccc3c(c2c1C(=O)OCC)CN1CCc2cc(SC)ccc2C1O3 | 10.1021/jm011116o | ||
| 3652 | 4066 | 79 | None | -13 | 18 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1016/j.bmc.2007.12.036 | ||
| 57 | 4066 | 79 | None | -13 | 18 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1016/j.bmc.2007.12.036 | ||
| 60809 | 4066 | 79 | None | -13 | 18 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1016/j.bmc.2007.12.036 | ||
| CHEMBL21536 | 4066 | 79 | None | -13 | 18 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1016/j.bmc.2007.12.036 | ||
| DB15357 | 4066 | 79 | None | -13 | 18 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1016/j.bmc.2007.12.036 | ||
| 44627852 | 14007 | 0 | None | -2 | 5 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 338 | 4 | 0 | 1 | 5.9 | C[N+]1(C)CCCC1c1ccc(C(c2ccccc2)C2CCCCC2)o1 | 10.1021/jm901048j | ||
| CHEMBL1197387 | 14007 | 0 | None | -2 | 5 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 338 | 4 | 0 | 1 | 5.9 | C[N+]1(C)CCCC1c1ccc(C(c2ccccc2)C2CCCCC2)o1 | 10.1021/jm901048j | ||
| CHEMBL569712 | 14007 | 0 | None | -2 | 5 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 338 | 4 | 0 | 1 | 5.9 | C[N+]1(C)CCCC1c1ccc(C(c2ccccc2)C2CCCCC2)o1 | 10.1021/jm901048j | ||
| 10919522 | 78889 | 0 | None | -602 | 5 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 688 | 11 | 1 | 4 | 6.8 | O=C(NC[C@H]1CCCN(CC2CCCCC2)C1)[C@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1 | 10.1021/jm010480k | ||
| CHEMBL2112957 | 78889 | 0 | None | -602 | 5 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 688 | 11 | 1 | 4 | 6.8 | O=C(NC[C@H]1CCCN(CC2CCCCC2)C1)[C@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1 | 10.1021/jm010480k | ||
| 155515662 | 169940 | 0 | None | -1 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 336 | 4 | 0 | 3 | 3.9 | O=C(OCc1ccccc1)N(c1ccccc1)C1CN2CCC1CC2 | 10.1016/j.bmcl.2018.12.022 | ||
| CHEMBL4441786 | 169940 | 0 | None | -1 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 336 | 4 | 0 | 3 | 3.9 | O=C(OCc1ccccc1)N(c1ccccc1)C1CN2CCC1CC2 | 10.1016/j.bmcl.2018.12.022 | ||
| 155520267 | 170420 | 0 | None | -1 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 356 | 5 | 0 | 3 | 4.1 | CN1CCCC(OC(=O)N(CCc2ccc(F)cc2)c2ccccc2)C1 | 10.1016/j.bmcl.2018.12.022 | ||
| CHEMBL4448667 | 170420 | 0 | None | -1 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 356 | 5 | 0 | 3 | 4.1 | CN1CCCC(OC(=O)N(CCc2ccc(F)cc2)c2ccccc2)C1 | 10.1016/j.bmcl.2018.12.022 | ||
| 71575025 | 86192 | 0 | None | 3 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 365 | 7 | 0 | 4 | 4.0 | CCN1CCC(c2ccccc2)=C(C(=O)OCCc2cccc(OC)c2)C1 | 10.1021/jm301774u | ||
| CHEMBL2312387 | 86192 | 0 | None | 3 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 365 | 7 | 0 | 4 | 4.0 | CCN1CCC(c2ccccc2)=C(C(=O)OCCc2cccc(OC)c2)C1 | 10.1021/jm301774u | ||
| 155559291 | 176635 | 0 | None | -4 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 689 | 16 | 5 | 7 | 3.2 | CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4563530 | 176635 | 0 | None | -4 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 689 | 16 | 5 | 7 | 3.2 | CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4598099 | 176635 | 0 | None | -4 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 689 | 16 | 5 | 7 | 3.2 | CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| 44448500 | 12302 | 0 | None | -1 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 549 | 12 | 2 | 3 | 6.2 | C[N+]1(CCCC(O)(c2ccccc2)c2ccccc2)CCN(CCCC(O)(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2008.03.061 | ||
| CHEMBL1185248 | 12302 | 0 | None | -1 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 549 | 12 | 2 | 3 | 6.2 | C[N+]1(CCCC(O)(c2ccccc2)c2ccccc2)CCN(CCCC(O)(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2008.03.061 | ||
| CHEMBL402282 | 12302 | 0 | None | -1 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 549 | 12 | 2 | 3 | 6.2 | C[N+]1(CCCC(O)(c2ccccc2)c2ccccc2)CCN(CCCC(O)(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2008.03.061 | ||
| 44627856 | 197466 | 0 | None | -1 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 339 | 4 | 1 | 3 | 4.9 | CN1CCC[C@H]1c1ccc([C@@](O)(c2ccccc2)C2CCCCC2)o1 | 10.1021/jm901048j | ||
| CHEMBL569953 | 197466 | 0 | None | -1 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 339 | 4 | 1 | 3 | 4.9 | CN1CCC[C@H]1c1ccc([C@@](O)(c2ccccc2)C2CCCCC2)o1 | 10.1021/jm901048j | ||
| 46227413 | 14108 | 0 | None | -1 | 5 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 188 | 2 | 0 | 2 | 0.9 | C[C@@H]1OC[C@@H](C[N+](C)(C)C)O[C@H]1C | 10.1016/j.bmc.2009.10.027 | ||
| CHEMBL1198087 | 14108 | 0 | None | -1 | 5 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 188 | 2 | 0 | 2 | 0.9 | C[C@@H]1OC[C@@H](C[N+](C)(C)C)O[C@H]1C | 10.1016/j.bmc.2009.10.027 | ||
| CHEMBL595265 | 14108 | 0 | None | -1 | 5 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 188 | 2 | 0 | 2 | 0.9 | C[C@@H]1OC[C@@H](C[N+](C)(C)C)O[C@H]1C | 10.1016/j.bmc.2009.10.027 | ||
| 71452387 | 83774 | 0 | None | -1 | 7 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 309 | 2 | 1 | 4 | 1.7 | OC12C3C4CC5C6C4C1C6C(C53)N2Cc1ccc2c(c1)OCO2 | 10.1016/j.bmcl.2012.08.046 | ||
| CHEMBL2205829 | 83774 | 0 | None | -1 | 7 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 309 | 2 | 1 | 4 | 1.7 | OC12C3C4CC5C6C4C1C6C(C53)N2Cc1ccc2c(c1)OCO2 | 10.1016/j.bmcl.2012.08.046 | ||
| 71452387 | 83774 | 0 | None | -1 | 7 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 309 | 2 | 1 | 4 | 1.7 | OC12C3C4CC5C6C4C1C6C(C53)N2Cc1ccc2c(c1)OCO2 | 10.1016/j.bmc.2013.07.045 | ||
| CHEMBL2205829 | 83774 | 0 | None | -1 | 7 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 309 | 2 | 1 | 4 | 1.7 | OC12C3C4CC5C6C4C1C6C(C53)N2Cc1ccc2c(c1)OCO2 | 10.1016/j.bmc.2013.07.045 | ||
| 2274 | 3151 | 58 | None | -15 | 32 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | ||
| 4917 | 3151 | 58 | None | -15 | 32 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | ||
| 7279 | 3151 | 58 | None | -15 | 32 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | ||
| CHEMBL728 | 3151 | 58 | None | -15 | 32 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | ||
| DB00433 | 3151 | 58 | None | -15 | 32 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | ||
| 11071537 | 26465 | 0 | None | -10 | 5 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 495 | 17 | 0 | 10 | 5.5 | COc1nsnc1OCCCCCCCCCCCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm0301235 | ||
| CHEMBL136027 | 26465 | 0 | None | -10 | 5 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 495 | 17 | 0 | 10 | 5.5 | COc1nsnc1OCCCCCCCCCCCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm0301235 | ||
| 122203596 | 155782 | 0 | None | -125 | 5 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 627 | 14 | 3 | 7 | 4.3 | CCC(=O)NCCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)cn1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4059733 | 155782 | 0 | None | -125 | 5 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 627 | 14 | 3 | 7 | 4.3 | CCC(=O)NCCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)cn1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4066481 | 155782 | 0 | None | -125 | 5 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 627 | 14 | 3 | 7 | 4.3 | CCC(=O)NCCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)cn1 | 10.1016/j.ejmech.2021.113159 | ||
| 156010212 | 178213 | 0 | None | -4 | 5 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 312 | 4 | 0 | 2 | 3.1 | C[N+](C)(C)C[C@@H]1COC(c2ccccc2)(c2ccccc2)CO1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4634066 | 178213 | 0 | None | -4 | 5 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 312 | 4 | 0 | 2 | 3.1 | C[N+](C)(C)C[C@@H]1COC(c2ccccc2)(c2ccccc2)CO1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4650562 | 178213 | 0 | None | -4 | 5 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 312 | 4 | 0 | 2 | 3.1 | C[N+](C)(C)C[C@@H]1COC(c2ccccc2)(c2ccccc2)CO1 | 10.1021/acs.jmedchem.9b02100 | ||
| 3652 | 4066 | 79 | None | -13 | 18 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm0301235 | ||
| 57 | 4066 | 79 | None | -13 | 18 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm0301235 | ||
| 60809 | 4066 | 79 | None | -13 | 18 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm0301235 | ||
| CHEMBL21536 | 4066 | 79 | None | -13 | 18 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm0301235 | ||
| DB15357 | 4066 | 79 | None | -13 | 18 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm0301235 | ||
| 156010398 | 178212 | 0 | None | -7 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 376 | 5 | 0 | 4 | 2.7 | C[N+](C)(C)C[C@@H]1COC[C@@H](c2ccc(S(=O)(=O)c3ccccc3)cc2)O1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4633895 | 178212 | 0 | None | -7 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 376 | 5 | 0 | 4 | 2.7 | C[N+](C)(C)C[C@@H]1COC[C@@H](c2ccc(S(=O)(=O)c3ccccc3)cc2)O1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4650561 | 178212 | 0 | None | -7 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 376 | 5 | 0 | 4 | 2.7 | C[N+](C)(C)C[C@@H]1COC[C@@H](c2ccc(S(=O)(=O)c3ccccc3)cc2)O1 | 10.1021/acs.jmedchem.9b02100 | ||
| 3652 | 4066 | 79 | None | -13 | 18 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm0606995 | ||
| 57 | 4066 | 79 | None | -13 | 18 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm0606995 | ||
| 60809 | 4066 | 79 | None | -13 | 18 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm0606995 | ||
| CHEMBL21536 | 4066 | 79 | None | -13 | 18 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm0606995 | ||
| DB15357 | 4066 | 79 | None | -13 | 18 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm0606995 | ||
| 7141656 | 176813 | 7 | None | -4 | 5 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 151 | 1 | 1 | 2 | 2.0 | Cc1ccc([C@H]2CCCN2)o1 | 10.1021/jm800145d | ||
| CHEMBL461089 | 176813 | 7 | None | -4 | 5 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 151 | 1 | 1 | 2 | 2.0 | Cc1ccc([C@H]2CCCN2)o1 | 10.1021/jm800145d | ||
| 3257 | 3997 | 61 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 351 | 4 | 0 | 4 | 3.3 | COc1ccc(cc1)CN1c2ccc(cc2C(=O)C1=O)OC(F)(F)F | 10.1021/jm900286j | ||
| 42633508 | 3997 | 61 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 351 | 4 | 0 | 4 | 3.3 | COc1ccc(cc1)CN1c2ccc(cc2C(=O)C1=O)OC(F)(F)F | 10.1021/jm900286j | ||
| CHEMBL466253 | 3997 | 61 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 351 | 4 | 0 | 4 | 3.3 | COc1ccc(cc1)CN1c2ccc(cc2C(=O)C1=O)OC(F)(F)F | 10.1021/jm900286j | ||
| 118710662 | 120804 | 0 | None | -1 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 633 | 15 | 1 | 5 | 5.4 | CC(C)(CN1C(=O)c2ccccc2C1=O)C[N+](C)(C)CCCCCC[N+]1(C)[C@@H]2CC[C@@H]1CC(OC(=O)C(CO)c1ccccc1)C2 | 10.1021/jm500790x | ||
| CHEMBL3323280 | 120804 | 0 | None | -1 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 633 | 15 | 1 | 5 | 5.4 | CC(C)(CN1C(=O)c2ccccc2C1=O)C[N+](C)(C)CCCCCC[N+]1(C)[C@@H]2CC[C@@H]1CC(OC(=O)C(CO)c1ccccc1)C2 | 10.1021/jm500790x | ||
| CHEMBL3558229 | 120804 | 0 | None | -1 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 633 | 15 | 1 | 5 | 5.4 | CC(C)(CN1C(=O)c2ccccc2C1=O)C[N+](C)(C)CCCCCC[N+]1(C)[C@@H]2CC[C@@H]1CC(OC(=O)C(CO)c1ccccc1)C2 | 10.1021/jm500790x | ||
| 118710668 | 120808 | 0 | None | -1 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 619 | 15 | 1 | 6 | 3.8 | C[N+](C)(CCCCCC[N+]1(C)[C@H]2C[C@@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21)CCCN1C(=O)c2ccccc2C1=O | 10.1021/jm500790x | ||
| CHEMBL3323283 | 120808 | 0 | None | -1 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 619 | 15 | 1 | 6 | 3.8 | C[N+](C)(CCCCCC[N+]1(C)[C@H]2C[C@@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21)CCCN1C(=O)c2ccccc2C1=O | 10.1021/jm500790x | ||
| CHEMBL3558234 | 120808 | 0 | None | -1 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 619 | 15 | 1 | 6 | 3.8 | C[N+](C)(CCCCCC[N+]1(C)[C@H]2C[C@@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21)CCCN1C(=O)c2ccccc2C1=O | 10.1021/jm500790x | ||
| 16086000 | 80327 | 0 | None | -3090 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 676 | 9 | 2 | 5 | 4.2 | CN1CCC(CNC(=O)[C@H]2CCCN2C(=O)[C@@H]2C[C@@H](O)CN2C(=O)CC(c2ccc(F)cc2)(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | 10.1021/jm051205r | ||
| CHEMBL214342 | 80327 | 0 | None | -3090 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 676 | 9 | 2 | 5 | 4.2 | CN1CCC(CNC(=O)[C@H]2CCCN2C(=O)[C@@H]2C[C@@H](O)CN2C(=O)CC(c2ccc(F)cc2)(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | 10.1021/jm051205r | ||
| 16086001 | 139189 | 0 | None | -9332 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 716 | 11 | 2 | 5 | 5.0 | O=C(NCC1CCN(CC2CC2)CC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1 | 10.1021/jm051205r | ||
| CHEMBL378772 | 139189 | 0 | None | -9332 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 716 | 11 | 2 | 5 | 5.0 | O=C(NCC1CCN(CC2CC2)CC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1 | 10.1021/jm051205r | ||
| 155521639 | 170670 | 0 | None | -1 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 424 | 8 | 0 | 5 | 4.4 | COc1ccc(CCCOC(=O)N(c2ccccc2)C2CN3CCC2CC3)cc1OC | 10.1016/j.bmcl.2018.12.022 | ||
| CHEMBL4451822 | 170670 | 0 | None | -1 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 424 | 8 | 0 | 5 | 4.4 | COc1ccc(CCCOC(=O)N(c2ccccc2)C2CN3CCC2CC3)cc1OC | 10.1016/j.bmcl.2018.12.022 | ||
| 3257 | 3997 | 61 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 351 | 4 | 0 | 4 | 3.3 | COc1ccc(cc1)CN1c2ccc(cc2C(=O)C1=O)OC(F)(F)F | 10.1021/jm900286j | ||
| 42633508 | 3997 | 61 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 351 | 4 | 0 | 4 | 3.3 | COc1ccc(cc1)CN1c2ccc(cc2C(=O)C1=O)OC(F)(F)F | 10.1021/jm900286j | ||
| CHEMBL466253 | 3997 | 61 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 351 | 4 | 0 | 4 | 3.3 | COc1ccc(cc1)CN1c2ccc(cc2C(=O)C1=O)OC(F)(F)F | 10.1021/jm900286j | ||
| 155513986 | 176463 | 0 | None | -95 | 5 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 760 | 19 | 10 | 8 | 1.4 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4439675 | 176463 | 0 | None | -95 | 5 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 760 | 19 | 10 | 8 | 1.4 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4596667 | 176463 | 0 | None | -95 | 5 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 760 | 19 | 10 | 8 | 1.4 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| 156016041 | 178223 | 0 | None | -41 | 5 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 1238 | 28 | 4 | 13 | 9.9 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCNC(=O)CCc3cn(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc65)CC4)cn3)c3ccc(S(=O)(=O)O)cc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL4644612 | 178223 | 0 | None | -41 | 5 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 1238 | 28 | 4 | 13 | 9.9 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCNC(=O)CCc3cn(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc65)CC4)cn3)c3ccc(S(=O)(=O)O)cc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL4650627 | 178223 | 0 | None | -41 | 5 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 1238 | 28 | 4 | 13 | 9.9 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCNC(=O)CCc3cn(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc65)CC4)cn3)c3ccc(S(=O)(=O)O)cc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| 3168 | 9230 | 92 | None | -147 | 22 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 379 | 6 | 1 | 4 | 3.7 | O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1 | nan | ||
| CHEMBL1108 | 9230 | 92 | None | -147 | 22 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 379 | 6 | 1 | 4 | 3.7 | O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1 | nan | ||
| 3675988 | 176811 | 66 | None | -1 | 4 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 137 | 1 | 1 | 2 | 1.7 | c1coc(C2CCCN2)c1 | 10.1021/jm800145d | ||
| CHEMBL461087 | 176811 | 66 | None | -1 | 4 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 137 | 1 | 1 | 2 | 1.7 | c1coc(C2CCCN2)c1 | 10.1021/jm800145d | ||
| 46227485 | 14091 | 0 | None | -1 | 5 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 202 | 2 | 0 | 2 | 1.3 | C[C@@H]1OC[C@@H](C[N+](C)(C)C)OC1(C)C | 10.1016/j.bmc.2009.10.027 | ||
| CHEMBL1198034 | 14091 | 0 | None | -1 | 5 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 202 | 2 | 0 | 2 | 1.3 | C[C@@H]1OC[C@@H](C[N+](C)(C)C)OC1(C)C | 10.1016/j.bmc.2009.10.027 | ||
| CHEMBL593620 | 14091 | 0 | None | -1 | 5 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 202 | 2 | 0 | 2 | 1.3 | C[C@@H]1OC[C@@H](C[N+](C)(C)C)OC1(C)C | 10.1016/j.bmc.2009.10.027 | ||
| 44428745 | 92148 | 0 | None | -28 | 5 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 635 | 23 | 2 | 6 | 7.9 | COc1ccccc1CNCCCCCCN1CCC(CCC2CCN(CCCCCCNCc3ccccc3OC)CC2)CC1 | 10.1016/j.bmc.2007.01.022 | ||
| CHEMBL242345 | 92148 | 0 | None | -28 | 5 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 635 | 23 | 2 | 6 | 7.9 | COc1ccccc1CNCCCCCCN1CCC(CCC2CCN(CCCCCCNCc3ccccc3OC)CC2)CC1 | 10.1016/j.bmc.2007.01.022 | ||
| 9911615 | 99003 | 0 | None | -851 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 450 | 5 | 0 | 6 | 5.5 | CCCc1c(C(=O)OCC)c2c3c(ccc2n1C)OC1c2ccc(SC)cc2CCN1C3 | 10.1021/jm011116o | ||
| CHEMBL280220 | 99003 | 0 | None | -851 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 450 | 5 | 0 | 6 | 5.5 | CCCc1c(C(=O)OCC)c2c3c(ccc2n1C)OC1c2ccc(SC)cc2CCN1C3 | 10.1021/jm011116o | ||
| 44455198 | 97629 | 0 | None | -3 | 10 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 899 | 22 | 3 | 7 | 10.3 | CC(C)N(CC[C@H](c1ccccc1)c1cc(CCNC(=O)CCCCCNC(=O)COc2ccc(/C=C/C3=[N+]4C(=Cc5ccc(-c6cccs6)n5[B-]4(F)F)C=C3)cc2)ccc1O)C(C)C | 10.1016/j.bmcl.2007.11.022 | ||
| CHEMBL271108 | 97629 | 0 | None | -3 | 10 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 899 | 22 | 3 | 7 | 10.3 | CC(C)N(CC[C@H](c1ccccc1)c1cc(CCNC(=O)CCCCCNC(=O)COc2ccc(/C=C/C3=[N+]4C(=Cc5ccc(-c6cccs6)n5[B-]4(F)F)C=C3)cc2)ccc1O)C(C)C | 10.1016/j.bmcl.2007.11.022 | ||
| 44455198 | 97629 | 0 | None | -3 | 10 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 899 | 22 | 3 | 7 | 10.3 | CC(C)N(CC[C@H](c1ccccc1)c1cc(CCNC(=O)CCCCCNC(=O)COc2ccc(/C=C/C3=[N+]4C(=Cc5ccc(-c6cccs6)n5[B-]4(F)F)C=C3)cc2)ccc1O)C(C)C | 10.1021/acs.jmedchem.8b00041 | ||
| CHEMBL271108 | 97629 | 0 | None | -3 | 10 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 899 | 22 | 3 | 7 | 10.3 | CC(C)N(CC[C@H](c1ccccc1)c1cc(CCNC(=O)CCCCCNC(=O)COc2ccc(/C=C/C3=[N+]4C(=Cc5ccc(-c6cccs6)n5[B-]4(F)F)C=C3)cc2)ccc1O)C(C)C | 10.1021/acs.jmedchem.8b00041 | ||
| 11968014 | 12726 | 5 | None | -3 | 9 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 303 | 4 | 1 | 5 | 0.9 | CN1[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@@H]1O[C@H]12 | 10.1021/jm301774u | ||
| CHEMBL1187846 | 12726 | 5 | None | -3 | 9 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 303 | 4 | 1 | 5 | 0.9 | CN1[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@@H]1O[C@H]12 | 10.1021/jm301774u | ||
| 71452382 | 83765 | 0 | None | -53 | 10 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 309 | 4 | 1 | 3 | 2.0 | COc1ccc(CCN2C3C4C5CC6C7C5C3C7C2(O)C64)cc1 | 10.1016/j.bmcl.2012.08.046 | ||
| CHEMBL2205812 | 83765 | 0 | None | -53 | 10 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 309 | 4 | 1 | 3 | 2.0 | COc1ccc(CCN2C3C4C5CC6C7C5C3C7C2(O)C64)cc1 | 10.1016/j.bmcl.2012.08.046 | ||
| 16085999 | 80263 | 0 | None | -3548 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 676 | 10 | 3 | 5 | 4.3 | O=C(NCCC1CCNCC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1 | 10.1021/jm051205r | ||
| CHEMBL214029 | 80263 | 0 | None | -3548 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 676 | 10 | 3 | 5 | 4.3 | O=C(NCCC1CCNCC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1 | 10.1021/jm051205r | ||
| 16086060 | 168919 | 0 | None | -4365 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 662 | 9 | 3 | 5 | 3.9 | O=C(NC[C@@H]1CCCNC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1 | 10.1021/jm051205r | ||
| CHEMBL438822 | 168919 | 0 | None | -4365 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 662 | 9 | 3 | 5 | 3.9 | O=C(NC[C@@H]1CCCNC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1 | 10.1021/jm051205r | ||
| 11809446 | 59649 | 0 | None | -3 | 5 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 322 | 6 | 0 | 4 | 2.7 | CN(C)CCOC(=O)C1=C(Cc2ccccn2)c2ccccc2C1 | 10.1021/jm020895l | ||
| CHEMBL172234 | 59649 | 0 | None | -3 | 5 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 322 | 6 | 0 | 4 | 2.7 | CN(C)CCOC(=O)C1=C(Cc2ccccn2)c2ccccc2C1 | 10.1021/jm020895l | ||
| 162677523 | 183650 | 0 | None | -229 | 5 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 930 | 14 | 2 | 10 | 5.8 | CN(C)c1ccc2c(-c3ccc(C(=O)NCCN4CCN(CCCCC5CCN(CC(=O)N6c7ccccc7NC(=O)c7ccccc76)CC5)CC4)cc3C(=O)[O-])c3ccc(=[N+](C)C)cc-3oc2c1 | 10.1039/d0md00137f | ||
| CHEMBL4756833 | 183650 | 0 | None | -229 | 5 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 930 | 14 | 2 | 10 | 5.8 | CN(C)c1ccc2c(-c3ccc(C(=O)NCCN4CCN(CCCCC5CCN(CC(=O)N6c7ccccc7NC(=O)c7ccccc76)CC5)CC4)cc3C(=O)[O-])c3ccc(=[N+](C)C)cc-3oc2c1 | 10.1039/d0md00137f | ||
| CHEMBL4802932 | 183650 | 0 | None | -229 | 5 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 930 | 14 | 2 | 10 | 5.8 | CN(C)c1ccc2c(-c3ccc(C(=O)NCCN4CCN(CCCCC5CCN(CC(=O)N6c7ccccc7NC(=O)c7ccccc76)CC5)CC4)cc3C(=O)[O-])c3ccc(=[N+](C)C)cc-3oc2c1 | 10.1039/d0md00137f | ||
| 44274302 | 77038 | 0 | None | -2 | 5 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 320 | 5 | 0 | 4 | 3.1 | CN(C)CCOC(=O)C1=C/C(=C\c2ccccn2)c2ccccc21 | 10.1016/s0960-894x(01)00186-x | ||
| CHEMBL20732 | 77038 | 0 | None | -2 | 5 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 320 | 5 | 0 | 4 | 3.1 | CN(C)CCOC(=O)C1=C/C(=C\c2ccccn2)c2ccccc21 | 10.1016/s0960-894x(01)00186-x | ||
| 2726 | 916 | 68 | None | -10 | 73 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
| 621 | 916 | 68 | None | -10 | 73 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
| 83 | 916 | 68 | None | -10 | 73 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
| CHEMBL71 | 916 | 68 | None | -10 | 73 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
| DB00477 | 916 | 68 | None | -10 | 73 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
| CHEMBL5289083 | 194435 | 0 | None | -10 | 5 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 1002 | 24 | 3 | 6 | 13.3 | CN1/C(=C/C=C/C=C/C2=[N+](CCCCCC(=O)NCCCNCCCCCCN3CCC(COC(=O)Nc4ccc(F)cc4-c4ccc(F)c(Cl)c4)CC3)c3ccccc3C2(C)C)C(C)(C)c2ccccc21 | 10.1021/acs.jmedchem.2c01376 | ||
| 44517677 | 195412 | 0 | None | 2 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 326 | 4 | 1 | 2 | 3.3 | O=C(c1ccccc1C(F)(F)F)N(CC1CCC1)[C@H]1CCNC1 | 10.1016/j.bmcl.2009.06.096 | ||
| CHEMBL552338 | 195412 | 0 | None | 2 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 326 | 4 | 1 | 2 | 3.3 | O=C(c1ccccc1C(F)(F)F)N(CC1CCC1)[C@H]1CCNC1 | 10.1016/j.bmcl.2009.06.096 | ||
| 44593622 | 187772 | 0 | None | -3 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 356 | 3 | 0 | 2 | 3.3 | C[N+]1(C)CCC[C@@H]1[C@@H]1C[S+]([O-])C(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| CHEMBL495888 | 187772 | 0 | None | -3 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 356 | 3 | 0 | 2 | 3.3 | C[N+]1(C)CCC[C@@H]1[C@@H]1C[S+]([O-])C(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| CHEMBL556390 | 187772 | 0 | None | -3 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 356 | 3 | 0 | 2 | 3.3 | C[N+]1(C)CCC[C@@H]1[C@@H]1C[S+]([O-])C(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| 122194376 | 123865 | 0 | None | -1 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 366 | 7 | 1 | 3 | 3.4 | COc1ccc(CCC(=O)NCC2(c3ccccc3)CCN(C)CC2)cc1 | 10.1016/j.bmcl.2015.10.029 | ||
| CHEMBL3627739 | 123865 | 0 | None | -1 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 366 | 7 | 1 | 3 | 3.4 | COc1ccc(CCC(=O)NCC2(c3ccccc3)CCN(C)CC2)cc1 | 10.1016/j.bmcl.2015.10.029 | ||
| 11498 | 2997 | 41 | None | -218 | 6 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 392 | 3 | 1 | 5 | 4.1 | CCOC(=O)c1c(C)[nH]c2c1c1CN3CCc4c(C3Oc1cc2)ccc(c4)OC | 10.1016/j.bmcl.2008.03.061 | ||
| 4995951 | 2997 | 41 | None | -218 | 6 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 392 | 3 | 1 | 5 | 4.1 | CCOC(=O)c1c(C)[nH]c2c1c1CN3CCc4c(C3Oc1cc2)ccc(c4)OC | 10.1016/j.bmcl.2008.03.061 | ||
| CHEMBL59898 | 2997 | 41 | None | -218 | 6 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 392 | 3 | 1 | 5 | 4.1 | CCOC(=O)c1c(C)[nH]c2c1c1CN3CCc4c(C3Oc1cc2)ccc(c4)OC | 10.1016/j.bmcl.2008.03.061 | ||
| 156015051 | 178304 | 0 | None | -4 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 360 | 5 | 0 | 3 | 3.0 | C[N+](C)(C)C[C@@H]1COC[C@@H](c2ccc([S+]([O-])c3ccccc3)cc2)O1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4643329 | 178304 | 0 | None | -4 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 360 | 5 | 0 | 3 | 3.0 | C[N+](C)(C)C[C@@H]1COC[C@@H](c2ccc([S+]([O-])c3ccccc3)cc2)O1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4651139 | 178304 | 0 | None | -4 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 360 | 5 | 0 | 3 | 3.0 | C[N+](C)(C)C[C@@H]1COC[C@@H](c2ccc([S+]([O-])c3ccccc3)cc2)O1 | 10.1021/acs.jmedchem.9b02100 | ||
| 44448457 | 11881 | 0 | None | -1 | 5 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 566 | 15 | 2 | 2 | 6.6 | C[N+](C)(CCCC(O)(c1ccccc1)c1ccccc1)CC[N+](C)(C)CCCC(O)(c1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2008.03.061 | ||
| CHEMBL1182638 | 11881 | 0 | None | -1 | 5 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 566 | 15 | 2 | 2 | 6.6 | C[N+](C)(CCCC(O)(c1ccccc1)c1ccccc1)CC[N+](C)(C)CCCC(O)(c1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2008.03.061 | ||
| CHEMBL257586 | 11881 | 0 | None | -1 | 5 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 566 | 15 | 2 | 2 | 6.6 | C[N+](C)(CCCC(O)(c1ccccc1)c1ccccc1)CC[N+](C)(C)CCCC(O)(c1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2008.03.061 | ||
| 53324553 | 56825 | 0 | None | -2 | 10 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 283 | 4 | 1 | 1 | 3.1 | Fc1cccc(CCN[C@H]2C3C4CC5C6C4CC3C6C52)c1 | 10.1016/j.bmcl.2010.11.075 | ||
| CHEMBL1643900 | 56825 | 0 | None | -2 | 10 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 283 | 4 | 1 | 1 | 3.1 | Fc1cccc(CCN[C@H]2C3C4CC5C6C4CC3C6C52)c1 | 10.1016/j.bmcl.2010.11.075 | ||
| 53324553 | 56825 | 0 | None | -2 | 10 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 283 | 4 | 1 | 1 | 3.1 | Fc1cccc(CCN[C@H]2C3C4CC5C6C4CC3C6C52)c1 | 10.1016/j.bmc.2013.07.045 | ||
| CHEMBL1643900 | 56825 | 0 | None | -2 | 10 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 283 | 4 | 1 | 1 | 3.1 | Fc1cccc(CCN[C@H]2C3C4CC5C6C4CC3C6C52)c1 | 10.1016/j.bmc.2013.07.045 | ||
| 10865439 | 20593 | 0 | None | -19 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 715 | 15 | 0 | 6 | 7.6 | COc1ccccc1CN1CCC(C2CCN(C(=O)CCCCCCC(=O)N3CCC(C4CCN(Cc5ccccc5OC)CC4)CC3)CC2)CC1 | 10.1021/jm0155594 | ||
| CHEMBL130835 | 20593 | 0 | None | -19 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 715 | 15 | 0 | 6 | 7.6 | COc1ccccc1CN1CCC(C2CCN(C(=O)CCCCCCC(=O)N3CCC(C4CCN(Cc5ccccc5OC)CC4)CC3)CC2)CC1 | 10.1021/jm0155594 | ||
| 44437259 | 11847 | 0 | None | -1 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 297 | 4 | 0 | 3 | 3.0 | C[N+]1(CC#CCOc2cc(-c3ccccc3)on2)CCCC1 | 10.1016/j.bmc.2007.09.003 | ||
| CHEMBL1182448 | 11847 | 0 | None | -1 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 297 | 4 | 0 | 3 | 3.0 | C[N+]1(CC#CCOc2cc(-c3ccccc3)on2)CCCC1 | 10.1016/j.bmc.2007.09.003 | ||
| CHEMBL239038 | 11847 | 0 | None | -1 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 297 | 4 | 0 | 3 | 3.0 | C[N+]1(CC#CCOc2cc(-c3ccccc3)on2)CCCC1 | 10.1016/j.bmc.2007.09.003 | ||
| 1016 | 3720 | 78 | None | -19 | 35 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | ||
| 2561 | 3720 | 78 | None | -19 | 35 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | ||
| 2733526 | 3720 | 78 | None | -19 | 35 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | ||
| 5384 | 3720 | 78 | None | -19 | 35 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | ||
| CHEMBL83 | 3720 | 78 | None | -19 | 35 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | ||
| DB00675 | 3720 | 78 | None | -19 | 35 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | ||
| 5318 | 15544 | 49 | None | -1 | 13 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 396 | 6 | 0 | 3 | 6.5 | Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | ||
| CHEMBL1200348 | 15544 | 49 | None | -1 | 13 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 396 | 6 | 0 | 3 | 6.5 | Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | ||
| CHEMBL1221 | 15544 | 49 | None | -1 | 13 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 396 | 6 | 0 | 3 | 6.5 | Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | ||
| 3158 | 56237 | 27 | None | -131 | 20 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 279 | 3 | 0 | 2 | 4.0 | CN(C)CCC=C1c2ccccc2COc2ccccc21 | nan | ||
| CHEMBL1628227 | 56237 | 27 | None | -131 | 20 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 279 | 3 | 0 | 2 | 4.0 | CN(C)CCC=C1c2ccccc2COc2ccccc21 | nan | ||
| 145960466 | 161499 | 0 | None | -4 | 5 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 379 | 5 | 0 | 4 | 3.5 | c1ccc(C2(c3ccccc3)COC[C@H](CO[C@@H]3CN4CCC3CC4)O2)cc1 | 10.1016/j.ejmech.2017.06.004 | ||
| CHEMBL4128341 | 161499 | 0 | None | -4 | 5 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 379 | 5 | 0 | 4 | 3.5 | c1ccc(C2(c3ccccc3)COC[C@H](CO[C@@H]3CN4CCC3CC4)O2)cc1 | 10.1016/j.ejmech.2017.06.004 | ||
| 118710664 | 120806 | 0 | None | -1 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 683 | 15 | 1 | 5 | 6.6 | CC(C)(CN1C(=O)c2cccc3cccc(c23)C1=O)C[N+](C)(C)CCCCCC[N+]1(C)[C@@H]2CC[C@@H]1CC(OC(=O)C(CO)c1ccccc1)C2 | 10.1021/jm500790x | ||
| CHEMBL3323281 | 120806 | 0 | None | -1 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 683 | 15 | 1 | 5 | 6.6 | CC(C)(CN1C(=O)c2cccc3cccc(c23)C1=O)C[N+](C)(C)CCCCCC[N+]1(C)[C@@H]2CC[C@@H]1CC(OC(=O)C(CO)c1ccccc1)C2 | 10.1021/jm500790x | ||
| CHEMBL3558231 | 120806 | 0 | None | -1 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 683 | 15 | 1 | 5 | 6.6 | CC(C)(CN1C(=O)c2cccc3cccc(c23)C1=O)C[N+](C)(C)CCCCCC[N+]1(C)[C@@H]2CC[C@@H]1CC(OC(=O)C(CO)c1ccccc1)C2 | 10.1021/jm500790x | ||
| 155525691 | 171007 | 0 | None | 1 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 368 | 6 | 0 | 4 | 4.0 | COc1ccc(CCN(C(=O)OC2CCN(C)CC2)c2ccccc2)cc1 | 10.1016/j.bmcl.2018.12.022 | ||
| CHEMBL4456775 | 171007 | 0 | None | 1 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 368 | 6 | 0 | 4 | 4.0 | COc1ccc(CCN(C(=O)OC2CCN(C)CC2)c2ccccc2)cc1 | 10.1016/j.bmcl.2018.12.022 | ||
| 71575453 | 86176 | 0 | None | 1 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 367 | 6 | 0 | 4 | 4.3 | CSc1ccc(CCOC(=O)C2=C(c3ccccc3)CCN(C)C2)cc1 | 10.1021/jm301774u | ||
| CHEMBL2312367 | 86176 | 0 | None | 1 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 367 | 6 | 0 | 4 | 4.3 | CSc1ccc(CCOC(=O)C2=C(c3ccccc3)CCN(C)C2)cc1 | 10.1021/jm301774u | ||
| 71575225 | 86190 | 0 | None | -1 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 341 | 6 | 0 | 4 | 4.0 | CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccsc2)C1 | 10.1021/jm301774u | ||
| CHEMBL2312384 | 86190 | 0 | None | -1 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 341 | 6 | 0 | 4 | 4.0 | CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccsc2)C1 | 10.1021/jm301774u | ||
| 71575117 | 86196 | 0 | None | -1 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 353 | 6 | 0 | 3 | 4.1 | CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc(F)cc2)C1 | 10.1021/jm301774u | ||
| CHEMBL2312392 | 86196 | 0 | None | -1 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 353 | 6 | 0 | 3 | 4.1 | CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc(F)cc2)C1 | 10.1021/jm301774u | ||
| 156009660 | 178305 | 0 | None | -4 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 360 | 5 | 0 | 3 | 3.0 | C[N+](C)(C)C[C@@H]1CO[C@@H](c2ccc([S+]([O-])c3ccccc3)cc2)CO1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4634475 | 178305 | 0 | None | -4 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 360 | 5 | 0 | 3 | 3.0 | C[N+](C)(C)C[C@@H]1CO[C@@H](c2ccc([S+]([O-])c3ccccc3)cc2)CO1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4651150 | 178305 | 0 | None | -4 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 360 | 5 | 0 | 3 | 3.0 | C[N+](C)(C)C[C@@H]1CO[C@@H](c2ccc([S+]([O-])c3ccccc3)cc2)CO1 | 10.1021/acs.jmedchem.9b02100 | ||
| 44274469 | 80579 | 1 | None | -1 | 5 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 276 | 4 | 0 | 2 | 4.0 | CN(C)CCC1=C/C(=C\c2ccccn2)c2ccccc21 | 10.1016/s0960-894x(01)00186-x | ||
| CHEMBL21509 | 80579 | 1 | None | -1 | 5 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 276 | 4 | 0 | 2 | 4.0 | CN(C)CCC1=C/C(=C\c2ccccn2)c2ccccc21 | 10.1016/s0960-894x(01)00186-x | ||
| 4715419 | 188717 | 34 | None | -4 | 5 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 151 | 1 | 1 | 2 | 2.0 | Cc1ccc(C2CCCN2)o1 | 10.1021/jm800145d | ||
| CHEMBL505086 | 188717 | 34 | None | -4 | 5 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 151 | 1 | 1 | 2 | 2.0 | Cc1ccc(C2CCCN2)o1 | 10.1021/jm800145d | ||
| 44593624 | 188105 | 0 | None | -2 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 362 | 3 | 0 | 2 | 3.8 | C[N+]1(C)CCC[C@@H]1[C@@H]1C[S+]([O-])[C@](c2ccccc2)(C2CCCCC2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| CHEMBL498357 | 188105 | 0 | None | -2 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 362 | 3 | 0 | 2 | 3.8 | C[N+]1(C)CCC[C@@H]1[C@@H]1C[S+]([O-])[C@](c2ccccc2)(C2CCCCC2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| CHEMBL554916 | 188105 | 0 | None | -2 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 362 | 3 | 0 | 2 | 3.8 | C[N+]1(C)CCC[C@@H]1[C@@H]1C[S+]([O-])[C@](c2ccccc2)(C2CCCCC2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| 137661377 | 159185 | 0 | None | -371 | 8 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 314 | 6 | 0 | 2 | 3.9 | CCCC1CCN(CCCN2C(=O)CCc3ccccc32)CC1 | 10.1021/acs.jmedchem.8b00265 | ||
| CHEMBL4098720 | 159185 | 0 | None | -371 | 8 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 314 | 6 | 0 | 2 | 3.9 | CCCC1CCN(CCCN2C(=O)CCc3ccccc32)CC1 | 10.1021/acs.jmedchem.8b00265 | ||
| 145961125 | 161522 | 0 | None | -5 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 393 | 4 | 0 | 5 | 3.0 | O=C(O[C@H]1CN2CCC1CC2)[C@@H]1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.ejmech.2017.06.004 | ||
| CHEMBL4128667 | 161522 | 0 | None | -5 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 393 | 4 | 0 | 5 | 3.0 | O=C(O[C@H]1CN2CCC1CC2)[C@@H]1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.ejmech.2017.06.004 | ||
| 11143997 | 4990 | 0 | None | -275 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 408 | 3 | 1 | 5 | 4.8 | CCOC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2cc(SC)ccc2C1O3 | 10.1021/jm011116o | ||
| CHEMBL105122 | 4990 | 0 | None | -275 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 408 | 3 | 1 | 5 | 4.8 | CCOC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2cc(SC)ccc2C1O3 | 10.1021/jm011116o | ||
| 11729182 | 5199 | 0 | None | -4 | 5 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 405 | 3 | 1 | 4 | 4.0 | CCN(C)C(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3 | 10.1021/jm011116o | ||
| CHEMBL106259 | 5199 | 0 | None | -4 | 5 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 405 | 3 | 1 | 4 | 4.0 | CCN(C)C(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3 | 10.1021/jm011116o | ||
| 73350931 | 92505 | 0 | None | -4 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 279 | 3 | 0 | 2 | 2.4 | CN(Cc1ccccc1)[C@H]1C2C3CC4C2C(=O)C2C4C3C21 | 10.1016/j.bmc.2013.07.045 | ||
| CHEMBL2432040 | 92505 | 0 | None | -4 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 279 | 3 | 0 | 2 | 2.4 | CN(Cc1ccccc1)[C@H]1C2C3CC4C2C(=O)C2C4C3C21 | 10.1016/j.bmc.2013.07.045 | ||
| 155560013 | 176276 | 0 | None | -47 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 789 | 21 | 9 | 9 | 1.4 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4564922 | 176276 | 0 | None | -47 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 789 | 21 | 9 | 9 | 1.4 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4595198 | 176276 | 0 | None | -47 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 789 | 21 | 9 | 9 | 1.4 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| 156015141 | 178243 | 0 | None | -12 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 668 | 11 | 1 | 4 | 8.2 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL4642045 | 178243 | 0 | None | -12 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 668 | 11 | 1 | 4 | 8.2 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL4650774 | 178243 | 0 | None | -12 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 668 | 11 | 1 | 4 | 8.2 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.9b02172 | ||
| 10969390 | 59647 | 0 | None | -275 | 6 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 324 | 7 | 0 | 2 | 4.5 | CC(C1=C(CCN(C)CCF)Cc2ccccc21)c1ccccn1 | 10.1021/jm020895l | ||
| CHEMBL172233 | 59647 | 0 | None | -275 | 6 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 324 | 7 | 0 | 2 | 4.5 | CC(C1=C(CCN(C)CCF)Cc2ccccc21)c1ccccn1 | 10.1021/jm020895l | ||
| 11099206 | 120761 | 0 | None | -5 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 318 | 5 | 0 | 2 | 4.7 | CC(C1=C(CCN2CCCC2)Cc2ccccc21)c1ccccn1 | 10.1021/jm020895l | ||
| CHEMBL355455 | 120761 | 0 | None | -5 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 318 | 5 | 0 | 2 | 4.7 | CC(C1=C(CCN2CCCC2)Cc2ccccc21)c1ccccn1 | 10.1021/jm020895l | ||
| 3652 | 46214 | 70 | None | -2 | 9 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 335 | 9 | 2 | 4 | 3.8 | CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12 | 10.1038/s41586-020-2286-9 | ||
| CHEMBL1535 | 46214 | 70 | None | -2 | 9 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 335 | 9 | 2 | 4 | 3.8 | CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12 | 10.1038/s41586-020-2286-9 | ||
| 2551 | 791 | 23 | None | -204 | 11 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0301235 | ||
| 298 | 791 | 23 | None | -204 | 11 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0301235 | ||
| 488 | 791 | 23 | None | -204 | 11 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0301235 | ||
| CHEMBL965 | 791 | 23 | None | -204 | 11 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0301235 | ||
| DB00411 | 791 | 23 | None | -204 | 11 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0301235 | ||
| 2551 | 791 | 23 | None | -204 | 11 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0606995 | ||
| 298 | 791 | 23 | None | -204 | 11 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0606995 | ||
| 488 | 791 | 23 | None | -204 | 11 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0606995 | ||
| CHEMBL965 | 791 | 23 | None | -204 | 11 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0606995 | ||
| DB00411 | 791 | 23 | None | -204 | 11 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0606995 | ||
| 2705 | 3813 | 64 | None | 1 | 10 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | 10.1016/j.bmcl.2007.11.022 | ||
| 360 | 3813 | 64 | None | 1 | 10 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | 10.1016/j.bmcl.2007.11.022 | ||
| 443879 | 3813 | 64 | None | 1 | 10 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | 10.1016/j.bmcl.2007.11.022 | ||
| CHEMBL1382 | 3813 | 64 | None | 1 | 10 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | 10.1016/j.bmcl.2007.11.022 | ||
| DB01036 | 3813 | 64 | None | 1 | 10 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | 10.1016/j.bmcl.2007.11.022 | ||
| 2705 | 3813 | 64 | None | -1 | 10 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | 10.1021/acs.jmedchem.8b00041 | ||
| 360 | 3813 | 64 | None | -1 | 10 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | 10.1021/acs.jmedchem.8b00041 | ||
| 443879 | 3813 | 64 | None | -1 | 10 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | 10.1021/acs.jmedchem.8b00041 | ||
| CHEMBL1382 | 3813 | 64 | None | -1 | 10 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | 10.1021/acs.jmedchem.8b00041 | ||
| DB01036 | 3813 | 64 | None | -1 | 10 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | 10.1021/acs.jmedchem.8b00041 | ||
| 118719922 | 115749 | 0 | None | -2 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 565 | 14 | 0 | 7 | 6.1 | CN1CCC=C(c2nsnc2OCCCCCCCC2CCN(CCCN3C(=O)CCc4ccccc43)CC2)C1 | 10.1021/jm501173q | ||
| CHEMBL3354068 | 115749 | 0 | None | -2 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 565 | 14 | 0 | 7 | 6.1 | CN1CCC=C(c2nsnc2OCCCCCCCC2CCN(CCCN3C(=O)CCc4ccccc43)CC2)C1 | 10.1021/jm501173q | ||
| 319 | 1312 | 44 | None | -4 | 9 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 10.1021/jm010480k | ||
| 321 | 1312 | 44 | None | -4 | 9 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 10.1021/jm010480k | ||
| 444031 | 1312 | 44 | None | -4 | 9 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 10.1021/jm010480k | ||
| 784 | 1312 | 44 | None | -4 | 9 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 10.1021/jm010480k | ||
| CHEMBL1346 | 1312 | 44 | None | -4 | 9 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 10.1021/jm010480k | ||
| DB00496 | 1312 | 44 | None | -4 | 9 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 10.1021/jm010480k | ||
| 2028 | 2958 | 80 | None | -5 | 11 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | nan | ||
| 359 | 2958 | 80 | None | -5 | 11 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | nan | ||
| 4634 | 2958 | 80 | None | -5 | 11 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | nan | ||
| CHEMBL1231 | 2958 | 80 | None | -5 | 11 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | nan | ||
| DB01062 | 2958 | 80 | None | -5 | 11 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | nan | ||
| 156020548 | 178154 | 0 | None | -1 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 303 | 4 | 0 | 3 | 3.4 | CN(C)CC1COCC(c2ccccc2)(C2CCCCC2)O1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4649224 | 178154 | 0 | None | -1 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 303 | 4 | 0 | 3 | 3.4 | CN(C)CC1COCC(c2ccccc2)(C2CCCCC2)O1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL5289601 | 194449 | 0 | None | -4 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 973 | 22 | 2 | 5 | 14.1 | CN1/C(=C/C=C/C=C/C2=[N+](CCCCCC(=O)NCCCCCCCCN3CCC(COC(=O)Nc4ccc(F)cc4-c4ccc(F)c(Cl)c4)CC3)c3ccccc3C2(C)C)C(C)(C)c2ccccc21 | 10.1021/acs.jmedchem.2c01376 | ||
| 277 | 1289 | 62 | None | -7 | 46 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | ||
| 2913 | 1289 | 62 | None | -7 | 46 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | ||
| 765 | 1289 | 62 | None | -7 | 46 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | ||
| CHEMBL516 | 1289 | 62 | None | -7 | 46 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | ||
| DB00434 | 1289 | 62 | None | -7 | 46 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | ||
| 13567081 | 11202 | 0 | None | -2 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 320 | 4 | 0 | 2 | 4.3 | C[N+](C)(C)C[C@@H]1CS[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1021/jm061374r | ||
| CHEMBL1178839 | 11202 | 0 | None | -2 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 320 | 4 | 0 | 2 | 4.3 | C[N+](C)(C)C[C@@H]1CS[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1021/jm061374r | ||
| CHEMBL45454 | 11202 | 0 | None | -2 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 320 | 4 | 0 | 2 | 4.3 | C[N+](C)(C)C[C@@H]1CS[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1021/jm061374r | ||
| 101882890 | 115750 | 0 | None | -2 | 5 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 593 | 16 | 0 | 7 | 6.8 | CN1CCC=C(c2nsnc2OCCCCCCCCCC2CCN(CCCN3C(=O)CCc4ccccc43)CC2)C1 | 10.1021/jm501173q | ||
| CHEMBL3354069 | 115750 | 0 | None | -2 | 5 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 593 | 16 | 0 | 7 | 6.8 | CN1CCC=C(c2nsnc2OCCCCCCCCCC2CCN(CCCN3C(=O)CCc4ccccc43)CC2)C1 | 10.1021/jm501173q | ||
| 1971 | 2846 | 38 | None | -4 | 30 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | nan | ||
| 2404 | 2846 | 38 | None | -4 | 30 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | nan | ||
| 4543 | 2846 | 38 | None | -4 | 30 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | nan | ||
| CHEMBL445 | 2846 | 38 | None | -4 | 30 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | nan | ||
| DB00540 | 2846 | 38 | None | -4 | 30 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | nan | ||
| 4601 | 206724 | 35 | None | -1 | 17 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 269 | 6 | 0 | 2 | 3.7 | Cc1ccccc1C(OCCN(C)C)c1ccccc1 | nan | ||
| CHEMBL1201023 | 206724 | 35 | None | -1 | 17 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 269 | 6 | 0 | 2 | 3.7 | Cc1ccccc1C(OCCN(C)C)c1ccccc1 | nan | ||
| CHEMBL900 | 206724 | 35 | None | -1 | 17 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 269 | 6 | 0 | 2 | 3.7 | Cc1ccccc1C(OCCN(C)C)c1ccccc1 | nan | ||
| 118710666 | 120803 | 0 | None | 4 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 446 | 11 | 1 | 4 | 2.7 | C[N+](C)(C)CCCCCC[N+]1(C)[C@H]2C[C@@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21 | 10.1021/jm500790x | ||
| CHEMBL3323282 | 120803 | 0 | None | 4 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 446 | 11 | 1 | 4 | 2.7 | C[N+](C)(C)CCCCCC[N+]1(C)[C@H]2C[C@@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21 | 10.1021/jm500790x | ||
| CHEMBL3558210 | 120803 | 0 | None | 4 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 446 | 11 | 1 | 4 | 2.7 | C[N+](C)(C)CCCCCC[N+]1(C)[C@H]2C[C@@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21 | 10.1021/jm500790x | ||
| 156021441 | 178130 | 0 | None | -4 | 5 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 318 | 4 | 0 | 2 | 3.6 | C[N+](C)(C)C[C@@H]1COC[C@](c2ccccc2)(C2CCCCC2)O1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4648939 | 178130 | 0 | None | -4 | 5 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 318 | 4 | 0 | 2 | 3.6 | C[N+](C)(C)C[C@@H]1COC[C@](c2ccccc2)(C2CCCCC2)O1 | 10.1021/acs.jmedchem.9b02100 | ||
| 44386115 | 131412 | 0 | None | -95 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 650 | 16 | 3 | 4 | 6.2 | O=C(CCCNC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NCCC(=O)NCC1CCCN(CC2CCCCC2)C1 | 10.1021/jm010480k | ||
| CHEMBL369062 | 131412 | 0 | None | -95 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 650 | 16 | 3 | 4 | 6.2 | O=C(CCCNC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NCCC(=O)NCC1CCCN(CC2CCCCC2)C1 | 10.1021/jm010480k | ||
| 11006792 | 78893 | 0 | None | -912 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 648 | 12 | 2 | 4 | 5.9 | O=C(CNC(=O)[C@@H]1CCCN1C(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NC[C@H]1CCCN(CC2CCCCC2)C1 | 10.1021/jm010480k | ||
| CHEMBL2112961 | 78893 | 0 | None | -912 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 648 | 12 | 2 | 4 | 5.9 | O=C(CNC(=O)[C@@H]1CCCN1C(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NC[C@H]1CCCN(CC2CCCCC2)C1 | 10.1021/jm010480k | ||
| 73346334 | 92512 | 0 | None | -2 | 7 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 265 | 4 | 1 | 1 | 3.0 | c1ccc(CCN[C@H]2C3C4CC5C6C4CC3C6C52)cc1 | 10.1016/j.bmc.2013.07.045 | ||
| CHEMBL2432048 | 92512 | 0 | None | -2 | 7 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 265 | 4 | 1 | 1 | 3.0 | c1ccc(CCN[C@H]2C3C4CC5C6C4CC3C6C52)cc1 | 10.1016/j.bmc.2013.07.045 | ||
| 137642607 | 158494 | 0 | None | -1047 | 8 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 348 | 5 | 0 | 2 | 4.2 | O=C1CCc2ccccc2N1CCCN1CCC(c2ccccc2)CC1 | 10.1021/acs.jmedchem.8b00265 | ||
| CHEMBL4091231 | 158494 | 0 | None | -1047 | 8 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 348 | 5 | 0 | 2 | 4.2 | O=C1CCc2ccccc2N1CCCN1CCC(c2ccccc2)CC1 | 10.1021/acs.jmedchem.8b00265 | ||
| 122194378 | 123984 | 0 | None | 1 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 382 | 7 | 1 | 4 | 3.6 | COc1ccc(CCOC(=O)NCC2(c3ccccc3)CCN(C)CC2)cc1 | 10.1016/j.bmcl.2015.10.029 | ||
| CHEMBL3629537 | 123984 | 0 | None | 1 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 382 | 7 | 1 | 4 | 3.6 | COc1ccc(CCOC(=O)NCC2(c3ccccc3)CCN(C)CC2)cc1 | 10.1016/j.bmcl.2015.10.029 | ||
| 4735 | 195092 | 96 | None | -17 | 10 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 340 | 10 | 4 | 4 | 2.9 | N=C(N)c1ccc(OCCCCCOc2ccc(C(=N)N)cc2)cc1 | nan | ||
| CHEMBL361506 | 195092 | 96 | None | -17 | 10 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 340 | 10 | 4 | 4 | 2.9 | N=C(N)c1ccc(OCCCCCOc2ccc(C(=N)N)cc2)cc1 | nan | ||
| CHEMBL55 | 195092 | 96 | None | -17 | 10 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 340 | 10 | 4 | 4 | 2.9 | N=C(N)c1ccc(OCCCCCOc2ccc(C(=N)N)cc2)cc1 | nan | ||
| 155543345 | 176662 | 0 | None | -22 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 810 | 19 | 7 | 9 | 3.5 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4543584 | 176662 | 0 | None | -22 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 810 | 19 | 7 | 9 | 3.5 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4598362 | 176662 | 0 | None | -22 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 810 | 19 | 7 | 9 | 3.5 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| 11834199 | 58741 | 0 | None | -46 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 320 | 7 | 0 | 2 | 4.9 | CCN(CC)CCC1=C(C(C)c2ccccn2)c2ccccc2C1 | 10.1021/jm020895l | ||
| CHEMBL168704 | 58741 | 0 | None | -46 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 320 | 7 | 0 | 2 | 4.9 | CCN(CC)CCC1=C(C(C)c2ccccn2)c2ccccc2C1 | 10.1021/jm020895l | ||
| 24894625 | 9746 | 0 | None | -2 | 5 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 166 | 1 | 0 | 1 | 2.2 | C[N+]1(C)CCC[C@H]1c1ccco1 | 10.1021/jm800145d | ||
| CHEMBL113580 | 9746 | 0 | None | -2 | 5 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 166 | 1 | 0 | 1 | 2.2 | C[N+]1(C)CCC[C@H]1c1ccco1 | 10.1021/jm800145d | ||
| CHEMBL553155 | 9746 | 0 | None | -2 | 5 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 166 | 1 | 0 | 1 | 2.2 | C[N+]1(C)CCC[C@H]1c1ccco1 | 10.1021/jm800145d | ||
| 11767229 | 78888 | 0 | None | -208 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 607 | 15 | 2 | 3 | 7.5 | O=C(CCCCCNC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NC[C@H]1CCCN(CC2CCCCC2)C1 | 10.1021/jm010480k | ||
| CHEMBL2112956 | 78888 | 0 | None | -208 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 607 | 15 | 2 | 3 | 7.5 | O=C(CCCCCNC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NC[C@H]1CCCN(CC2CCCCC2)C1 | 10.1021/jm010480k | ||
| 124087 | 1377 | 114 | None | -14 | 15 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | nan | ||
| 7157 | 1377 | 114 | None | -14 | 15 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | nan | ||
| 814 | 1377 | 114 | None | -14 | 15 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | nan | ||
| CHEMBL1172 | 1377 | 114 | None | -14 | 15 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | nan | ||
| DB00967 | 1377 | 114 | None | -14 | 15 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | nan | ||
| 122194373 | 123981 | 0 | None | 1 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 397 | 8 | 0 | 5 | 3.8 | COc1ccc(CCC(=O)OCC2(c3ccccc3)CCN(C)CC2)cc1OC | 10.1016/j.bmcl.2015.10.029 | ||
| CHEMBL3629533 | 123981 | 0 | None | 1 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 397 | 8 | 0 | 5 | 3.8 | COc1ccc(CCC(=O)OCC2(c3ccccc3)CCN(C)CC2)cc1OC | 10.1016/j.bmcl.2015.10.029 | ||
| 2337 | 3232 | 77 | None | -57 | 63 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | nan | ||
| 50 | 3232 | 77 | None | -57 | 63 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | nan | ||
| 5002 | 3232 | 77 | None | -57 | 63 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | nan | ||
| CHEMBL716 | 3232 | 77 | None | -57 | 63 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | nan | ||
| DB01224 | 3232 | 77 | None | -57 | 63 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | nan | ||
| 10066369 | 120232 | 0 | None | -60 | 6 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 348 | 7 | 0 | 2 | 5.7 | CC(C1=C(CCN(C(C)C)C(C)C)Cc2ccccc21)c1ccccn1 | 10.1021/jm020895l | ||
| CHEMBL352375 | 120232 | 0 | None | -60 | 6 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 348 | 7 | 0 | 2 | 5.7 | CC(C1=C(CCN(C(C)C)C(C)C)Cc2ccccc21)c1ccccn1 | 10.1021/jm020895l | ||
| 11012653 | 120794 | 0 | None | -15 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 320 | 6 | 0 | 2 | 4.9 | CC(C1=C(CCN(C)C(C)C)Cc2ccccc21)c1ccccn1 | 10.1021/jm020895l | ||
| CHEMBL355769 | 120794 | 0 | None | -15 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 320 | 6 | 0 | 2 | 4.9 | CC(C1=C(CCN(C)C(C)C)Cc2ccccc21)c1ccccn1 | 10.1021/jm020895l | ||
| 2719 | 914 | 74 | None | 3 | 11 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 319 | 8 | 1 | 3 | 4.8 | CCN(CCCC(Nc1ccnc2c1ccc(c2)Cl)C)CC | 10.1038/s41586-020-2286-9 | ||
| 5535 | 914 | 74 | None | 3 | 11 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 319 | 8 | 1 | 3 | 4.8 | CCN(CCCC(Nc1ccnc2c1ccc(c2)Cl)C)CC | 10.1038/s41586-020-2286-9 | ||
| 607 | 914 | 74 | None | 3 | 11 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 319 | 8 | 1 | 3 | 4.8 | CCN(CCCC(Nc1ccnc2c1ccc(c2)Cl)C)CC | 10.1038/s41586-020-2286-9 | ||
| CHEMBL76 | 914 | 74 | None | 3 | 11 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 319 | 8 | 1 | 3 | 4.8 | CCN(CCCC(Nc1ccnc2c1ccc(c2)Cl)C)CC | 10.1038/s41586-020-2286-9 | ||
| DB00608 | 914 | 74 | None | 3 | 11 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 319 | 8 | 1 | 3 | 4.8 | CCN(CCCC(Nc1ccnc2c1ccc(c2)Cl)C)CC | 10.1038/s41586-020-2286-9 | ||
| 657347 | 5044 | 2 | None | -186 | 6 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 160 | 2 | 0 | 2 | 0.5 | C[C@H]1OC[C@@H](C[N+](C)(C)C)O1 | 10.1016/j.bmc.2007.12.036 | ||
| CHEMBL105457 | 5044 | 2 | None | -186 | 6 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 160 | 2 | 0 | 2 | 0.5 | C[C@H]1OC[C@@H](C[N+](C)(C)C)O1 | 10.1016/j.bmc.2007.12.036 | ||
| CHEMBL387632 | 5044 | 2 | None | -186 | 6 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 160 | 2 | 0 | 2 | 0.5 | C[C@H]1OC[C@@H](C[N+](C)(C)C)O1 | 10.1016/j.bmc.2007.12.036 | ||
| 24894632 | 189395 | 2 | None | -1 | 5 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 165 | 1 | 0 | 2 | 2.4 | Cc1ccc(C2CCCN2C)o1 | 10.1021/jm800145d | ||
| CHEMBL513277 | 189395 | 2 | None | -1 | 5 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 165 | 1 | 0 | 2 | 2.4 | Cc1ccc(C2CCCN2C)o1 | 10.1021/jm800145d | ||
| 657347 | 5044 | 2 | None | -186 | 6 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 160 | 2 | 0 | 2 | 0.5 | C[C@H]1OC[C@@H](C[N+](C)(C)C)O1 | 10.1016/j.bmcl.2014.06.020 | ||
| CHEMBL105457 | 5044 | 2 | None | -186 | 6 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 160 | 2 | 0 | 2 | 0.5 | C[C@H]1OC[C@@H](C[N+](C)(C)C)O1 | 10.1016/j.bmcl.2014.06.020 | ||
| CHEMBL387632 | 5044 | 2 | None | -186 | 6 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 160 | 2 | 0 | 2 | 0.5 | C[C@H]1OC[C@@H](C[N+](C)(C)C)O1 | 10.1016/j.bmcl.2014.06.020 | ||
| 137630050 | 161016 | 0 | None | -63 | 5 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 1358 | 31 | 7 | 15 | 8.7 | CCC(=O)NCc1cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)c1 | 10.1021/acs.jmedchem.6b01892 | ||
| CHEMBL4089543 | 161016 | 0 | None | -63 | 5 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 1358 | 31 | 7 | 15 | 8.7 | CCC(=O)NCc1cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)c1 | 10.1021/acs.jmedchem.6b01892 | ||
| CHEMBL4097258 | 161016 | 0 | None | -63 | 5 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 1358 | 31 | 7 | 15 | 8.7 | CCC(=O)NCc1cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)c1 | 10.1021/acs.jmedchem.6b01892 | ||
| CHEMBL4116470 | 161016 | 0 | None | -63 | 5 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 1358 | 31 | 7 | 15 | 8.7 | CCC(=O)NCc1cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)c1 | 10.1021/acs.jmedchem.6b01892 | ||
| 15730 | 71089 | 80 | None | -10 | 10 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 206 | 7 | 1 | 1 | 4.3 | CCCCCCCCc1ccc(O)cc1 | nan | ||
| CHEMBL195437 | 71089 | 80 | None | -10 | 10 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 206 | 7 | 1 | 1 | 4.3 | CCCCCCCCc1ccc(O)cc1 | nan | ||
| 164627445 | 188583 | 0 | None | -1047 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 831 | 21 | 8 | 11 | 1.5 | CC(=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4876453 | 188583 | 0 | None | -1047 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 831 | 21 | 8 | 11 | 1.5 | CC(=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028997 | 188583 | 0 | None | -1047 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 831 | 21 | 8 | 11 | 1.5 | CC(=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 155516383 | 176649 | 0 | None | -52 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 810 | 19 | 7 | 9 | 3.5 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4443219 | 176649 | 0 | None | -52 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 810 | 19 | 7 | 9 | 3.5 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4598230 | 176649 | 0 | None | -52 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 810 | 19 | 7 | 9 | 3.5 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| 44593626 | 187829 | 0 | None | -2 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 362 | 3 | 0 | 2 | 3.8 | C[N+]1(C)CCC[C@@H]1[C@@H]1C[S+]([O-])[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| CHEMBL496306 | 187829 | 0 | None | -2 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 362 | 3 | 0 | 2 | 3.8 | C[N+]1(C)CCC[C@@H]1[C@@H]1C[S+]([O-])[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| CHEMBL539121 | 187829 | 0 | None | -2 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 362 | 3 | 0 | 2 | 3.8 | C[N+]1(C)CCC[C@@H]1[C@@H]1C[S+]([O-])[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| 9931930 | 108573 | 0 | None | -1122 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 420 | 5 | 1 | 5 | 4.8 | CCCc1[nH]c2ccc3c(c2c1C(=O)OCC)CN1CCc2cc(OC)ccc2C1O3 | 10.1021/jm011116o | ||
| CHEMBL320465 | 108573 | 0 | None | -1122 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 420 | 5 | 1 | 5 | 4.8 | CCCc1[nH]c2ccc3c(c2c1C(=O)OCC)CN1CCc2cc(OC)ccc2C1O3 | 10.1021/jm011116o | ||
| 11079969 | 163833 | 0 | None | -147 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 404 | 4 | 1 | 5 | 4.3 | C=CCOC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3 | 10.1021/jm011116o | ||
| CHEMBL420662 | 163833 | 0 | None | -147 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 404 | 4 | 1 | 5 | 4.3 | C=CCOC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3 | 10.1021/jm011116o | ||
| 71575552 | 86165 | 0 | None | 11 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 381 | 7 | 0 | 5 | 3.6 | COc1ccc(CCOC(=O)C2=C(c3ccccc3)CCN(C)C2)cc1OC | 10.1021/acs.jmedchem.2c00192 | ||
| CHEMBL2312346 | 86165 | 0 | None | 11 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 381 | 7 | 0 | 5 | 3.6 | COc1ccc(CCOC(=O)C2=C(c3ccccc3)CCN(C)C2)cc1OC | 10.1021/acs.jmedchem.2c00192 | ||
| 71575552 | 86165 | 0 | None | 11 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 381 | 7 | 0 | 5 | 3.6 | COc1ccc(CCOC(=O)C2=C(c3ccccc3)CCN(C)C2)cc1OC | 10.1021/jm301774u | ||
| CHEMBL2312346 | 86165 | 0 | None | 11 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 381 | 7 | 0 | 5 | 3.6 | COc1ccc(CCOC(=O)C2=C(c3ccccc3)CCN(C)C2)cc1OC | 10.1021/jm301774u | ||
| 6761 | 67770 | 19 | None | -53 | 18 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 401 | 5 | 1 | 4 | 4.5 | NC(=O)C1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1 | nan | ||
| CHEMBL1909072 | 67770 | 19 | None | -53 | 18 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 401 | 5 | 1 | 4 | 4.5 | NC(=O)C1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1 | nan | ||
| 10660 | 14384 | 58 | None | -6 | 12 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 469 | 6 | 1 | 7 | 3.0 | CN(C)CCOC(c1ccccc1)c1ccccc1.Cn1c(=O)c2[nH]c(Cl)nc2n(C)c1=O | nan | ||
| CHEMBL1200406 | 14384 | 58 | None | -6 | 12 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 469 | 6 | 1 | 7 | 3.0 | CN(C)CCOC(c1ccccc1)c1ccccc1.Cn1c(=O)c2[nH]c(Cl)nc2n(C)c1=O | nan | ||
| 2733638 | 11882 | 2 | None | -9 | 5 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 395 | 12 | 0 | 1 | 5.3 | CCN(CC)c1ccc(/C=C/c2cc[n+](CCC[N+](CC)(CC)CC)cc2)cc1 | 10.1016/j.bmcl.2007.11.022 | ||
| 6508731 | 11882 | 2 | None | -9 | 5 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 395 | 12 | 0 | 1 | 5.3 | CCN(CC)c1ccc(/C=C/c2cc[n+](CCC[N+](CC)(CC)CC)cc2)cc1 | 10.1016/j.bmcl.2007.11.022 | ||
| 8030329 | 11882 | 2 | None | -9 | 5 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 395 | 12 | 0 | 1 | 5.3 | CCN(CC)c1ccc(/C=C/c2cc[n+](CCC[N+](CC)(CC)CC)cc2)cc1 | 10.1016/j.bmcl.2007.11.022 | ||
| CHEMBL1182640 | 11882 | 2 | None | -9 | 5 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 395 | 12 | 0 | 1 | 5.3 | CCN(CC)c1ccc(/C=C/c2cc[n+](CCC[N+](CC)(CC)CC)cc2)cc1 | 10.1016/j.bmcl.2007.11.022 | ||
| CHEMBL257643 | 11882 | 2 | None | -9 | 5 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 395 | 12 | 0 | 1 | 5.3 | CCN(CC)c1ccc(/C=C/c2cc[n+](CCC[N+](CC)(CC)CC)cc2)cc1 | 10.1016/j.bmcl.2007.11.022 | ||
| 44627956 | 14002 | 0 | None | -4 | 5 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 354 | 4 | 1 | 2 | 5.0 | C[N+]1(C)CCC[C@@H]1c1ccc([C@@](O)(c2ccccc2)C2CCCCC2)o1 | 10.1021/jm901048j | ||
| CHEMBL1197362 | 14002 | 0 | None | -4 | 5 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 354 | 4 | 1 | 2 | 5.0 | C[N+]1(C)CCC[C@@H]1c1ccc([C@@](O)(c2ccccc2)C2CCCCC2)o1 | 10.1021/jm901048j | ||
| CHEMBL568775 | 14002 | 0 | None | -4 | 5 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 354 | 4 | 1 | 2 | 5.0 | C[N+]1(C)CCC[C@@H]1c1ccc([C@@](O)(c2ccccc2)C2CCCCC2)o1 | 10.1021/jm901048j | ||
| 44593617 | 187407 | 0 | None | -2 | 5 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 341 | 3 | 0 | 3 | 3.1 | CN1CCC[C@H]1[C@H]1C[S+]([O-])C(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| CHEMBL493795 | 187407 | 0 | None | -2 | 5 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 341 | 3 | 0 | 3 | 3.1 | CN1CCC[C@H]1[C@H]1C[S+]([O-])C(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| 44450637 | 155172 | 0 | None | -13 | 3 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 186 | 1 | 0 | 2 | 1.0 | C[C@H]1OC[C@@H]([C@@H]2CCC[N+]2(C)C)O1 | 10.1016/j.bmc.2007.12.036 | ||
| CHEMBL402473 | 155172 | 0 | None | -13 | 3 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 186 | 1 | 0 | 2 | 1.0 | C[C@H]1OC[C@@H]([C@@H]2CCC[N+]2(C)C)O1 | 10.1016/j.bmc.2007.12.036 | ||
| 44593625 | 188106 | 0 | None | -1 | 5 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 362 | 3 | 0 | 2 | 3.8 | C[N+]1(C)CCC[C@H]1[C@H]1C[S+]([O-])[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| CHEMBL498358 | 188106 | 0 | None | -1 | 5 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 362 | 3 | 0 | 2 | 3.8 | C[N+]1(C)CCC[C@H]1[C@H]1C[S+]([O-])[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| CHEMBL539120 | 188106 | 0 | None | -1 | 5 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 362 | 3 | 0 | 2 | 3.8 | C[N+]1(C)CCC[C@H]1[C@H]1C[S+]([O-])[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| 135 | 2515 | 43 | None | -19 | 58 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | ||
| 1796 | 2515 | 43 | None | -19 | 58 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | ||
| 4184 | 2515 | 43 | None | -19 | 58 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | ||
| CHEMBL6437 | 2515 | 43 | None | -19 | 58 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | ||
| DB06148 | 2515 | 43 | None | -19 | 58 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | ||
| 155528419 | 171304 | 0 | None | 1 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 380 | 6 | 0 | 4 | 4.0 | COc1ccc(CCOC(=O)N(c2ccccc2)C2CN3CCC2CC3)cc1 | 10.1016/j.bmcl.2018.12.022 | ||
| CHEMBL4461216 | 171304 | 0 | None | 1 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 380 | 6 | 0 | 4 | 4.0 | COc1ccc(CCOC(=O)N(c2ccccc2)C2CN3CCC2CC3)cc1 | 10.1016/j.bmcl.2018.12.022 | ||
| 71575122 | 86184 | 0 | None | 6 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 377 | 6 | 0 | 4 | 3.9 | CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc3c(c2)CCO3)C1 | 10.1021/jm301774u | ||
| CHEMBL2312376 | 86184 | 0 | None | 6 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 377 | 6 | 0 | 4 | 3.9 | CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc3c(c2)CCO3)C1 | 10.1021/jm301774u | ||
| 156014450 | 178227 | 0 | None | -1288 | 5 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 518 | 9 | 2 | 6 | 3.4 | NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL4636083 | 178227 | 0 | None | -1288 | 5 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 518 | 9 | 2 | 6 | 3.4 | NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL4650652 | 178227 | 0 | None | -1288 | 5 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 518 | 9 | 2 | 6 | 3.4 | NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.9b02172 | ||
| 11759379 | 120751 | 0 | None | -2 | 5 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 332 | 5 | 0 | 2 | 5.1 | CC(C1=C(CCN2CCCCC2)Cc2ccccc21)c1ccccn1 | 10.1021/jm020895l | ||
| CHEMBL355392 | 120751 | 0 | None | -2 | 5 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 332 | 5 | 0 | 2 | 5.1 | CC(C1=C(CCN2CCCCC2)Cc2ccccc21)c1ccccn1 | 10.1021/jm020895l | ||
| 44450621 | 95803 | 0 | None | -6 | 3 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 202 | 1 | 0 | 2 | 1.7 | C[C@@H]1O[C@H]([C@@H]2CCC[N+]2(C)C)CS1 | 10.1016/j.bmc.2007.12.036 | ||
| CHEMBL258906 | 95803 | 0 | None | -6 | 3 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 202 | 1 | 0 | 2 | 1.7 | C[C@@H]1O[C@H]([C@@H]2CCC[N+]2(C)C)CS1 | 10.1016/j.bmc.2007.12.036 | ||
| 44448498 | 12307 | 0 | None | -1 | 3 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 534 | 12 | 2 | 4 | 6.0 | OC(CCCN1CCN(CCCC(O)(c2ccccc2)c2ccccc2)CC1)(c1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2008.03.061 | ||
| CHEMBL1185287 | 12307 | 0 | None | -1 | 3 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 534 | 12 | 2 | 4 | 6.0 | OC(CCCN1CCN(CCCC(O)(c2ccccc2)c2ccccc2)CC1)(c1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2008.03.061 | ||
| CHEMBL404866 | 12307 | 0 | None | -1 | 3 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 534 | 12 | 2 | 4 | 6.0 | OC(CCCN1CCN(CCCC(O)(c2ccccc2)c2ccccc2)CC1)(c1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2008.03.061 | ||
| 24894635 | 169783 | 0 | None | -1 | 5 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 166 | 1 | 0 | 1 | 2.2 | C[N+]1(C)CCC[C@@H]1c1ccco1 | 10.1021/jm800145d | ||
| CHEMBL443939 | 169783 | 0 | None | -1 | 5 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 166 | 1 | 0 | 1 | 2.2 | C[N+]1(C)CCC[C@@H]1c1ccco1 | 10.1021/jm800145d | ||
| CHEMBL527880 | 169783 | 0 | None | -1 | 5 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 166 | 1 | 0 | 1 | 2.2 | C[N+]1(C)CCC[C@@H]1c1ccco1 | 10.1021/jm800145d | ||
| 4098 | 32475 | 30 | None | -28 | 11 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 261 | 6 | 0 | 4 | 2.7 | CN(C)CCN(Cc1cccs1)c1ccccn1 | nan | ||
| CHEMBL1255739 | 32475 | 30 | None | -28 | 11 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 261 | 6 | 0 | 4 | 2.7 | CN(C)CCN(Cc1cccs1)c1ccccn1 | nan | ||
| CHEMBL1411979 | 32475 | 30 | None | -28 | 11 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 261 | 6 | 0 | 4 | 2.7 | CN(C)CCN(Cc1cccs1)c1ccccn1 | nan | ||
| 71575650 | 86168 | 0 | None | 3 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 395 | 6 | 0 | 4 | 4.0 | CCN1CCC(c2ccc(F)cc2)=C(C(=O)OCCc2ccc3c(c2)CCO3)C1 | 10.1021/jm301774u | ||
| CHEMBL2312350 | 86168 | 0 | None | 3 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 395 | 6 | 0 | 4 | 4.0 | CCN1CCC(c2ccc(F)cc2)=C(C(=O)OCCc2ccc3c(c2)CCO3)C1 | 10.1021/jm301774u | ||
| 155543944 | 176310 | 0 | None | -676 | 5 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 873 | 21 | 6 | 10 | 2.3 | CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4567026 | 176310 | 0 | None | -676 | 5 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 873 | 21 | 6 | 10 | 2.3 | CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4595467 | 176310 | 0 | None | -676 | 5 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 873 | 21 | 6 | 10 | 2.3 | CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| 155548586 | 176573 | 0 | None | -446 | 5 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 562 | 12 | 6 | 6 | 2.5 | N=C(N)NCCC[C@H](N)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4537517 | 176573 | 0 | None | -446 | 5 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 562 | 12 | 6 | 6 | 2.5 | N=C(N)NCCC[C@H](N)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4597611 | 176573 | 0 | None | -446 | 5 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 562 | 12 | 6 | 6 | 2.5 | N=C(N)NCCC[C@H](N)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| 10160219 | 4898 | 0 | None | -2398 | 5 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 436 | 5 | 1 | 5 | 5.5 | CCCc1[nH]c2ccc3c(c2c1C(=O)OCC)CN1CCc2cc(SC)ccc2C1O3 | 10.1021/jm011116o | ||
| CHEMBL104693 | 4898 | 0 | None | -2398 | 5 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 436 | 5 | 1 | 5 | 5.5 | CCCc1[nH]c2ccc3c(c2c1C(=O)OCC)CN1CCc2cc(SC)ccc2C1O3 | 10.1021/jm011116o | ||
| 137640511 | 157042 | 0 | None | -93 | 8 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 286 | 4 | 0 | 2 | 3.1 | CC1CCN(CCCN2C(=O)CCc3ccccc32)CC1 | 10.1021/acs.jmedchem.8b00265 | ||
| CHEMBL4074104 | 157042 | 0 | None | -93 | 8 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 286 | 4 | 0 | 2 | 3.1 | CC1CCN(CCCN2C(=O)CCc3ccccc32)CC1 | 10.1021/acs.jmedchem.8b00265 | ||
| 5648 | 78382 | 9 | None | -2 | 5 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 306 | 9 | 0 | 2 | 3.8 | CCC(C)C(C(=O)OCC[N+](C)(CC)CC)c1ccccc1 | nan | ||
| CHEMBL2107687 | 78382 | 9 | None | -2 | 5 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 306 | 9 | 0 | 2 | 3.8 | CCC(C)C(C(=O)OCC[N+](C)(CC)CC)c1ccccc1 | nan | ||
| CHEMBL2111176 | 78382 | 9 | None | -2 | 5 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 306 | 9 | 0 | 2 | 3.8 | CCC(C)C(C(=O)OCC[N+](C)(CC)CC)c1ccccc1 | nan | ||
| 155524809 | 170949 | 0 | None | 1 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 394 | 5 | 0 | 5 | 3.7 | O=C(OCCc1ccc2c(c1)OCO2)N(c1ccccc1)C1CN2CCC1CC2 | 10.1016/j.bmcl.2018.12.022 | ||
| CHEMBL4456047 | 170949 | 0 | None | 1 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 394 | 5 | 0 | 5 | 3.7 | O=C(OCCc1ccc2c(c1)OCO2)N(c1ccccc1)C1CN2CCC1CC2 | 10.1016/j.bmcl.2018.12.022 | ||
| 155553089 | 174081 | 0 | None | 1 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 394 | 6 | 0 | 4 | 4.5 | COc1ccc(CCN(C(=O)OC2C[C@H]3CC[C@H](C2)N3C)c2ccccc2)cc1 | 10.1016/j.bmcl.2018.12.022 | ||
| CHEMBL4545030 | 174081 | 0 | None | 1 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 394 | 6 | 0 | 4 | 4.5 | COc1ccc(CCN(C(=O)OC2C[C@H]3CC[C@H](C2)N3C)c2ccccc2)cc1 | 10.1016/j.bmcl.2018.12.022 | ||
| 71575654 | 86171 | 0 | None | 3 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 393 | 6 | 0 | 5 | 3.5 | COc1ccccc1C1=C(C(=O)OCCc2ccc3c(c2)CCO3)CN(C)CC1 | 10.1021/jm301774u | ||
| CHEMBL2312354 | 86171 | 0 | None | 3 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 393 | 6 | 0 | 5 | 3.5 | COc1ccccc1C1=C(C(=O)OCCc2ccc3c(c2)CCO3)CN(C)CC1 | 10.1021/jm301774u | ||
| 73352415 | 92509 | 0 | None | -1 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 293 | 4 | 0 | 2 | 2.5 | CN(CCc1ccccc1)[C@H]1C2C3CC4C2C(=O)C2C4C3C21 | 10.1016/j.bmc.2013.07.045 | ||
| CHEMBL2432044 | 92509 | 0 | None | -1 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 293 | 4 | 0 | 2 | 2.5 | CN(CCc1ccccc1)[C@H]1C2C3CC4C2C(=O)C2C4C3C21 | 10.1016/j.bmc.2013.07.045 | ||
| 3191 | 102831 | 97 | None | -7 | 25 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 469 | 9 | 0 | 3 | 7.2 | CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 | nan | ||
| CHEMBL305660 | 102831 | 97 | None | -7 | 25 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 469 | 9 | 0 | 3 | 7.2 | CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 | nan | ||
| 145960592 | 161337 | 0 | None | -5 | 5 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 393 | 4 | 0 | 5 | 3.0 | O=C(O[C@H]1CN2CCC1CC2)[C@H]1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.ejmech.2017.06.004 | ||
| CHEMBL4126071 | 161337 | 0 | None | -5 | 5 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 393 | 4 | 0 | 5 | 3.0 | O=C(O[C@H]1CN2CCC1CC2)[C@H]1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.ejmech.2017.06.004 | ||
| 44450620 | 95802 | 0 | None | -4 | 3 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 202 | 1 | 0 | 2 | 1.7 | C[C@@H]1O[C@H]([C@H]2CCC[N+]2(C)C)CS1 | 10.1016/j.bmc.2007.12.036 | ||
| CHEMBL258905 | 95802 | 0 | None | -4 | 3 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 202 | 1 | 0 | 2 | 1.7 | C[C@@H]1O[C@H]([C@H]2CCC[N+]2(C)C)CS1 | 10.1016/j.bmc.2007.12.036 | ||
| 71575220 | 86187 | 0 | None | 4 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 383 | 7 | 0 | 4 | 4.1 | CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc(OC)c(F)c2)C1 | 10.1021/jm301774u | ||
| CHEMBL2312379 | 86187 | 0 | None | 4 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 383 | 7 | 0 | 4 | 4.1 | CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc(OC)c(F)c2)C1 | 10.1021/jm301774u | ||
| 132060776 | 162378 | 0 | None | -8 | 16 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 419 | 4 | 0 | 4 | 4.4 | O=C(OCc1ccccc1)N1CCc2ccc(N3CCN(C4CCCC4)CC3)cc2C1 | 10.1016/j.ejmech.2018.02.024 | ||
| CHEMBL4165863 | 162378 | 0 | None | -8 | 16 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 419 | 4 | 0 | 4 | 4.4 | O=C(OCc1ccccc1)N1CCc2ccc(N3CCN(C4CCCC4)CC3)cc2C1 | 10.1016/j.ejmech.2018.02.024 | ||
| 260 | 3840 | 54 | None | -467 | 6 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 284 | 2 | 1 | 3 | 3.0 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(=O)c1c[nH]c2c1cccc2 | nan | ||
| 2775 | 3840 | 54 | None | -467 | 6 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 284 | 2 | 1 | 3 | 3.0 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(=O)c1c[nH]c2c1cccc2 | nan | ||
| 656665 | 3840 | 54 | None | -467 | 6 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 284 | 2 | 1 | 3 | 3.0 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(=O)c1c[nH]c2c1cccc2 | nan | ||
| CHEMBL56564 | 3840 | 54 | None | -467 | 6 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 284 | 2 | 1 | 3 | 3.0 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(=O)c1c[nH]c2c1cccc2 | nan | ||
| DB11699 | 3840 | 54 | None | -467 | 6 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 284 | 2 | 1 | 3 | 3.0 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(=O)c1c[nH]c2c1cccc2 | nan | ||
| 44593619 | 187436 | 0 | None | -2 | 5 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 347 | 3 | 0 | 3 | 3.7 | CN1CCC[C@H]1[C@H]1C[S+]([O-])[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| CHEMBL493980 | 187436 | 0 | None | -2 | 5 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 347 | 3 | 0 | 3 | 3.7 | CN1CCC[C@H]1[C@H]1C[S+]([O-])[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| 16086066 | 139210 | 0 | None | -6456 | 5 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 710 | 9 | 3 | 5 | 5.4 | O=C(NCC1CCNCC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1 | 10.1021/jm051205r | ||
| CHEMBL378872 | 139210 | 0 | None | -6456 | 5 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 710 | 9 | 3 | 5 | 5.4 | O=C(NCC1CCNCC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1 | 10.1021/jm051205r | ||
| 44418764 | 82130 | 0 | None | -10 | 5 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 487 | 16 | 0 | 13 | 1.8 | COc1nsc(OCCOCCOCCOCCOc2nsnc2C2C=CCCN2C)n1 | 10.1021/jm0606995 | ||
| CHEMBL216928 | 82130 | 0 | None | -10 | 5 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 487 | 16 | 0 | 13 | 1.8 | COc1nsc(OCCOCCOCCOCCOc2nsnc2C2C=CCCN2C)n1 | 10.1021/jm0606995 | ||
| 16094793 | 83293 | 0 | None | -3 | 5 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 467 | 16 | 0 | 12 | 3.1 | COc1nsc(OCCCOCCCOCCCOc2nsnc2-c2cccnc2)n1 | 10.1021/jm0606995 | ||
| CHEMBL219118 | 83293 | 0 | None | -3 | 5 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 467 | 16 | 0 | 12 | 3.1 | COc1nsc(OCCCOCCCOCCCOc2nsnc2-c2cccnc2)n1 | 10.1021/jm0606995 | ||
| 16094783 | 136542 | 0 | None | -6 | 5 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 399 | 10 | 0 | 11 | 1.6 | COc1nsnc1OCCOCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm0606995 | ||
| CHEMBL373888 | 136542 | 0 | None | -6 | 5 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 399 | 10 | 0 | 11 | 1.6 | COc1nsnc1OCCOCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm0606995 | ||
| 11015312 | 5242 | 0 | None | -37 | 5 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 420 | 5 | 1 | 5 | 4.9 | CCCCOC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3 | 10.1021/jm011116o | ||
| CHEMBL106505 | 5242 | 0 | None | -37 | 5 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 420 | 5 | 1 | 5 | 4.9 | CCCCOC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3 | 10.1021/jm011116o | ||
| 11048067 | 5547 | 0 | None | -22 | 5 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 420 | 4 | 0 | 6 | 4.6 | CCOC(=O)c1c(C)n(CC)c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3 | 10.1021/jm011116o | ||
| CHEMBL107679 | 5547 | 0 | None | -22 | 5 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 420 | 4 | 0 | 6 | 4.6 | CCOC(=O)c1c(C)n(CC)c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3 | 10.1021/jm011116o | ||
| 44448380 | 11883 | 0 | None | -9 | 5 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 436 | 7 | 1 | 1 | 5.0 | C[N+]1(C)CCC(C2CC[N+](C)(CCCC(O)(c3ccccc3)c3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2008.03.061 | ||
| CHEMBL1182644 | 11883 | 0 | None | -9 | 5 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 436 | 7 | 1 | 1 | 5.0 | C[N+]1(C)CCC(C2CC[N+](C)(CCCC(O)(c3ccccc3)c3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2008.03.061 | ||
| CHEMBL257804 | 11883 | 0 | None | -9 | 5 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 436 | 7 | 1 | 1 | 5.0 | C[N+]1(C)CCC(C2CC[N+](C)(CCCC(O)(c3ccccc3)c3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2008.03.061 | ||
| 132060770 | 162615 | 0 | None | -41 | 10 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 451 | 7 | 0 | 6 | 3.5 | CCOC(=O)CCN1CCN(c2ccc3c(c2)CN(C(=O)OCc2ccccc2)CC3)CC1 | 10.1016/j.ejmech.2018.02.024 | ||
| CHEMBL4169689 | 162615 | 0 | None | -41 | 10 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 451 | 7 | 0 | 6 | 3.5 | CCOC(=O)CCN1CCN(c2ccc3c(c2)CN(C(=O)OCc2ccccc2)CC3)CC1 | 10.1016/j.ejmech.2018.02.024 | ||
| CHEMBL1200633 | 208577 | 3 | None | -8 | 8 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2.CO[C@H]1C[C@H](O[C@H]2[C@H](C)O[C@@H](O[C@@H]3/C(C)=C/C[C@@H]4C[C@@H](C[C@]5(CC[C@H](C)[C@@H](C(C)C)O5)O4)OC(=O)[C@@H]4C=C(C)[C@@H](O)[C@H]5OC/C(=C\C=C\[C@@H]3C)[C@@]45O)C[C@@H]2OC)O[C@@H](C)[C@@H]1O | nan | ||||
| 155516845 | 170085 | 0 | None | 2 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 364 | 6 | 0 | 3 | 4.4 | O=C(OCCCc1ccccc1)N(c1ccccc1)C1CN2CCC1CC2 | 10.1016/j.bmcl.2018.12.022 | ||
| CHEMBL4443613 | 170085 | 0 | None | 2 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 364 | 6 | 0 | 3 | 4.4 | O=C(OCCCc1ccccc1)N(c1ccccc1)C1CN2CCC1CC2 | 10.1016/j.bmcl.2018.12.022 | ||
| 155524478 | 170921 | 0 | None | -1 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 412 | 7 | 0 | 4 | 4.5 | COc1ccc(CCCOC(=O)N(c2ccccc2)C2CN3CCC2CC3)cc1F | 10.1016/j.bmcl.2018.12.022 | ||
| CHEMBL4455481 | 170921 | 0 | None | -1 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 412 | 7 | 0 | 4 | 4.5 | COc1ccc(CCCOC(=O)N(c2ccccc2)C2CN3CCC2CC3)cc1F | 10.1016/j.bmcl.2018.12.022 | ||
| 155562882 | 175209 | 0 | None | 1 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 350 | 5 | 0 | 3 | 4.0 | O=C(OCCc1ccccc1)N(c1ccccc1)C1CN2CCC1CC2 | 10.1016/j.bmcl.2018.12.022 | ||
| CHEMBL4571841 | 175209 | 0 | None | 1 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 350 | 5 | 0 | 3 | 4.0 | O=C(OCCc1ccccc1)N(c1ccccc1)C1CN2CCC1CC2 | 10.1016/j.bmcl.2018.12.022 | ||
| 71574275 | 86128 | 0 | None | 2 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 381 | 7 | 0 | 5 | 3.6 | COc1ccc(CCOC(=O)C2=C(c3ccccc3)CN(C)CC2)cc1OC | 10.1021/jm301774u | ||
| CHEMBL2311983 | 86128 | 0 | None | 2 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 381 | 7 | 0 | 5 | 3.6 | COc1ccc(CCOC(=O)C2=C(c3ccccc3)CN(C)CC2)cc1OC | 10.1021/jm301774u | ||
| 164620290 | 188519 | 0 | None | -57 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 916 | 22 | 9 | 12 | 0.6 | CC(=O)N[C@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(C(=O)CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4870729 | 188519 | 0 | None | -57 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 916 | 22 | 9 | 12 | 0.6 | CC(=O)N[C@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(C(=O)CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028589 | 188519 | 0 | None | -57 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 916 | 22 | 9 | 12 | 0.6 | CC(=O)N[C@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(C(=O)CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 156015465 | 178300 | 0 | None | 1 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 344 | 5 | 0 | 3 | 4.0 | C[N+](C)(C)C[C@@H]1COC[C@H](c2ccc(Sc3ccccc3)cc2)O1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4640926 | 178300 | 0 | None | 1 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 344 | 5 | 0 | 3 | 4.0 | C[N+](C)(C)C[C@@H]1COC[C@H](c2ccc(Sc3ccccc3)cc2)O1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4651115 | 178300 | 0 | None | 1 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 344 | 5 | 0 | 3 | 4.0 | C[N+](C)(C)C[C@@H]1COC[C@H](c2ccc(Sc3ccccc3)cc2)O1 | 10.1021/acs.jmedchem.9b02100 | ||
| 57326140 | 77150 | 0 | None | -4 | 5 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 188 | 3 | 0 | 2 | 0.9 | CC[C@H]1COC[C@@H](C[N+](C)(C)C)O1 | 10.1021/jm2013216 | ||
| CHEMBL2042400 | 77150 | 0 | None | -4 | 5 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 188 | 3 | 0 | 2 | 0.9 | CC[C@H]1COC[C@@H](C[N+](C)(C)C)O1 | 10.1021/jm2013216 | ||
| CHEMBL2078962 | 77150 | 0 | None | -4 | 5 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 188 | 3 | 0 | 2 | 0.9 | CC[C@H]1COC[C@@H](C[N+](C)(C)C)O1 | 10.1021/jm2013216 | ||
| 66561966 | 74674 | 0 | None | 1 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 193 | 2 | 0 | 1 | 3.2 | C1CCC(CN2C3CCC2CC3)CC1 | 10.1016/j.bmcl.2012.04.077 | ||
| CHEMBL2030625 | 74674 | 0 | None | 1 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 193 | 2 | 0 | 1 | 3.2 | C1CCC(CN2C3CCC2CC3)CC1 | 10.1016/j.bmcl.2012.04.077 | ||
| 71575653 | 86170 | 0 | None | -1 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 393 | 6 | 0 | 5 | 3.5 | COc1cccc(C2=C(C(=O)OCCc3ccc4c(c3)CCO4)CN(C)CC2)c1 | 10.1021/jm301774u | ||
| CHEMBL2312353 | 86170 | 0 | None | -1 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 393 | 6 | 0 | 5 | 3.5 | COc1cccc(C2=C(C(=O)OCCc3ccc4c(c3)CCO4)CN(C)CC2)c1 | 10.1021/jm301774u | ||
| 237 | 204842 | 48 | None | -2 | 13 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | nan | ||
| CHEMBL546257 | 204842 | 48 | None | -2 | 13 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | nan | ||
| CHEMBL554190 | 204842 | 48 | None | -2 | 13 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | nan | ||
| CHEMBL7568 | 204842 | 48 | None | -2 | 13 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | nan | ||
| 1530 | 2169 | 50 | None | -46 | 21 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | ||
| 3827 | 2169 | 50 | None | -46 | 21 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | ||
| 7206 | 2169 | 50 | None | -46 | 21 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | ||
| CHEMBL534 | 2169 | 50 | None | -46 | 21 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | ||
| DB00920 | 2169 | 50 | None | -46 | 21 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | ||
| 199798 | 74677 | 9 | None | -3 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 167 | 2 | 0 | 1 | 2.7 | C1CCC(CN2CCCC2)CC1 | 10.1016/j.bmcl.2012.04.077 | ||
| CHEMBL2030634 | 74677 | 9 | None | -3 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 167 | 2 | 0 | 1 | 2.7 | C1CCC(CN2CCCC2)CC1 | 10.1016/j.bmcl.2012.04.077 | ||
| 10969696 | 132079 | 0 | None | -1 | 5 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 334 | 5 | 0 | 3 | 3.9 | CC(C1=C(CCN2CCOCC2)Cc2ccccc21)c1ccccn1 | 10.1021/jm020895l | ||
| CHEMBL369575 | 132079 | 0 | None | -1 | 5 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 334 | 5 | 0 | 3 | 3.9 | CC(C1=C(CCN2CCOCC2)Cc2ccccc21)c1ccccn1 | 10.1021/jm020895l | ||
| 12963076 | 196602 | 4 | None | -6456 | 7 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 292 | 5 | 0 | 2 | 4.1 | C[C@H](C1=C(CCN(C)C)Cc2ccccc21)c1ccccn1 | 10.1021/jm020895l | ||
| CHEMBL564226 | 196602 | 4 | None | -6456 | 7 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 292 | 5 | 0 | 2 | 4.1 | C[C@H](C1=C(CCN(C)C)Cc2ccccc21)c1ccccn1 | 10.1021/jm020895l | ||
| 44274468 | 80577 | 0 | None | -1 | 5 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 276 | 4 | 0 | 2 | 4.0 | CN(C)CCC1=C/C(=C\c2cccnc2)c2ccccc21 | 10.1016/s0960-894x(01)00186-x | ||
| CHEMBL21508 | 80577 | 0 | None | -1 | 5 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 276 | 4 | 0 | 2 | 4.0 | CN(C)CCC1=C/C(=C\c2cccnc2)c2ccccc21 | 10.1016/s0960-894x(01)00186-x | ||
| 639794 | 98741 | 1 | None | -2 | 5 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 320 | 5 | 0 | 4 | 3.1 | CN(C)CCOC(=O)C1=C/C(=C\c2ccncc2)c2ccccc21 | 10.1016/s0960-894x(01)00186-x | ||
| CHEMBL278129 | 98741 | 1 | None | -2 | 5 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 320 | 5 | 0 | 4 | 3.1 | CN(C)CCOC(=O)C1=C/C(=C\c2ccncc2)c2ccccc21 | 10.1016/s0960-894x(01)00186-x | ||
| 26987 | 946 | 33 | None | -39 | 21 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | 10.1038/s41586-020-2286-9 | ||
| 6063 | 946 | 33 | None | -39 | 21 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | 10.1038/s41586-020-2286-9 | ||
| 671 | 946 | 33 | None | -39 | 21 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | 10.1038/s41586-020-2286-9 | ||
| CHEMBL1626 | 946 | 33 | None | -39 | 21 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | 10.1038/s41586-020-2286-9 | ||
| DB00283 | 946 | 33 | None | -39 | 21 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | 10.1038/s41586-020-2286-9 | ||
| 44627854 | 197686 | 0 | None | -1 | 5 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 339 | 4 | 1 | 3 | 4.9 | CN1CCC[C@H]1c1ccc([C@](O)(c2ccccc2)C2CCCCC2)o1 | 10.1021/jm901048j | ||
| CHEMBL571341 | 197686 | 0 | None | -1 | 5 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 339 | 4 | 1 | 3 | 4.9 | CN1CCC[C@H]1c1ccc([C@](O)(c2ccccc2)C2CCCCC2)o1 | 10.1021/jm901048j | ||
| 71806339 | 173985 | 10 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 331 | 2 | 0 | 6 | 1.3 | Cc1nn(C)c(C)c1S(=O)(=O)N1CCC2(CC1)OCCS2 | 10.1016/j.bmcl.2016.07.071 | ||
| CHEMBL4542697 | 173985 | 10 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 331 | 2 | 0 | 6 | 1.3 | Cc1nn(C)c(C)c1S(=O)(=O)N1CCC2(CC1)OCCS2 | 10.1016/j.bmcl.2016.07.071 | ||
| 16086067 | 81288 | 0 | None | -1698 | 5 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 710 | 9 | 3 | 5 | 5.4 | O=C(NC[C@@H]1CCCNC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1 | 10.1021/jm051205r | ||
| CHEMBL215894 | 81288 | 0 | None | -1698 | 5 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 710 | 9 | 3 | 5 | 5.4 | O=C(NC[C@@H]1CCCNC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1 | 10.1021/jm051205r | ||
| 44593618 | 187435 | 0 | None | -6 | 5 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 347 | 3 | 0 | 3 | 3.7 | CN1CCC[C@@H]1[C@@H]1C[S+]([O-])[C@](c2ccccc2)(C2CCCCC2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| CHEMBL493979 | 187435 | 0 | None | -6 | 5 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 347 | 3 | 0 | 3 | 3.7 | CN1CCC[C@@H]1[C@@H]1C[S+]([O-])[C@](c2ccccc2)(C2CCCCC2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| 162677513 | 183720 | 0 | None | -85 | 5 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 983 | 17 | 3 | 11 | 6.2 | CN(C)c1ccc2c(-c3ccc(C(=O)NCCNC(=O)CCc4cn(CCCCC5CCN(CC(=O)N6c7ccccc7NC(=O)c7ccccc76)CC5)cn4)cc3C(=O)[O-])c3ccc(=[N+](C)C)cc-3oc2c1 | 10.1039/d0md00137f | ||
| CHEMBL4789147 | 183720 | 0 | None | -85 | 5 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 983 | 17 | 3 | 11 | 6.2 | CN(C)c1ccc2c(-c3ccc(C(=O)NCCNC(=O)CCc4cn(CCCCC5CCN(CC(=O)N6c7ccccc7NC(=O)c7ccccc76)CC5)cn4)cc3C(=O)[O-])c3ccc(=[N+](C)C)cc-3oc2c1 | 10.1039/d0md00137f | ||
| CHEMBL4803695 | 183720 | 0 | None | -85 | 5 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 983 | 17 | 3 | 11 | 6.2 | CN(C)c1ccc2c(-c3ccc(C(=O)NCCNC(=O)CCc4cn(CCCCC5CCN(CC(=O)N6c7ccccc7NC(=O)c7ccccc76)CC5)cn4)cc3C(=O)[O-])c3ccc(=[N+](C)C)cc-3oc2c1 | 10.1039/d0md00137f | ||
| 14925759 | 158014 | 6 | None | -9549 | 13 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 349 | 5 | 0 | 3 | 3.2 | O=C1CCc2ccccc2N1CCCN1CCN(c2ccccc2)CC1 | 10.1021/acs.jmedchem.8b00265 | ||
| CHEMBL4085780 | 158014 | 6 | None | -9549 | 13 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 349 | 5 | 0 | 3 | 3.2 | O=C1CCc2ccccc2N1CCCN1CCN(c2ccccc2)CC1 | 10.1021/acs.jmedchem.8b00265 | ||
| 1353 | 1898 | 93 | None | -398 | 86 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | nan | ||
| 3559 | 1898 | 93 | None | -398 | 86 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | nan | ||
| 86 | 1898 | 93 | None | -398 | 86 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | nan | ||
| CHEMBL54 | 1898 | 93 | None | -398 | 86 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | nan | ||
| DB00502 | 1898 | 93 | None | -398 | 86 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | nan | ||
| 6075 | 150084 | 42 | None | -2 | 16 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 310 | 2 | 0 | 3 | 4.6 | CN1CCCC(CN2c3ccccc3Sc3ccccc32)C1 | nan | ||
| CHEMBL395110 | 150084 | 42 | None | -2 | 16 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 310 | 2 | 0 | 3 | 4.6 | CN1CCCC(CN2c3ccccc3Sc3ccccc32)C1 | nan | ||
| 71575549 | 86178 | 0 | None | 3 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 335 | 5 | 0 | 3 | 3.9 | Cc1cccc(CCOC(=O)C2=C(c3ccccc3)CCN(C)C2)c1 | 10.1021/jm301774u | ||
| CHEMBL2312369 | 86178 | 0 | None | 3 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 335 | 5 | 0 | 3 | 3.9 | Cc1cccc(CCOC(=O)C2=C(c3ccccc3)CCN(C)C2)c1 | 10.1021/jm301774u | ||
| 71575123 | 86185 | 0 | None | -1 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 379 | 6 | 0 | 5 | 3.7 | CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc3c(c2)OCO3)C1 | 10.1021/jm301774u | ||
| CHEMBL2312377 | 86185 | 0 | None | -1 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 379 | 6 | 0 | 5 | 3.7 | CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc3c(c2)OCO3)C1 | 10.1021/jm301774u | ||
| 16086061 | 80189 | 0 | None | -3090 | 5 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 690 | 10 | 2 | 5 | 4.6 | CCN1CCC(CNC(=O)[C@H]2CCCN2C(=O)[C@@H]2C[C@@H](O)CN2C(=O)CC(c2ccc(F)cc2)(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | 10.1021/jm051205r | ||
| CHEMBL213709 | 80189 | 0 | None | -3090 | 5 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 690 | 10 | 2 | 5 | 4.6 | CCN1CCC(CNC(=O)[C@H]2CCCN2C(=O)[C@@H]2C[C@@H](O)CN2C(=O)CC(c2ccc(F)cc2)(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | 10.1021/jm051205r | ||
| 122442272 | 138323 | 0 | None | -100 | 15 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 239 | 5 | 1 | 2 | 2.6 | C=CCOc1cc(F)c(F)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
| CHEMBL3769968 | 138323 | 0 | None | -100 | 15 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 239 | 5 | 1 | 2 | 2.6 | C=CCOc1cc(F)c(F)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
| CHEMBL3771384 | 138323 | 0 | None | -100 | 15 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 239 | 5 | 1 | 2 | 2.6 | C=CCOc1cc(F)c(F)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
| 9817231 | 158212 | 22 | None | -3 | 7 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 282 | 4 | 0 | 3 | 4.1 | CCCN1CCC=C(c2cc(-c3ccc(C)cc3)no2)C1 | 10.1038/s41586-020-2286-9 | ||
| CHEMBL4088272 | 158212 | 22 | None | -3 | 7 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 282 | 4 | 0 | 3 | 4.1 | CCCN1CCC=C(c2cc(-c3ccc(C)cc3)no2)C1 | 10.1038/s41586-020-2286-9 | ||
| 46227457 | 14102 | 0 | None | -1 | 5 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 188 | 2 | 0 | 2 | 0.9 | CC1(C)COC[C@@H](C[N+](C)(C)C)O1 | 10.1016/j.bmc.2009.10.027 | ||
| CHEMBL1198075 | 14102 | 0 | None | -1 | 5 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 188 | 2 | 0 | 2 | 0.9 | CC1(C)COC[C@@H](C[N+](C)(C)C)O1 | 10.1016/j.bmc.2009.10.027 | ||
| CHEMBL594801 | 14102 | 0 | None | -1 | 5 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 188 | 2 | 0 | 2 | 0.9 | CC1(C)COC[C@@H](C[N+](C)(C)C)O1 | 10.1016/j.bmc.2009.10.027 | ||
| 122442272 | 138323 | 0 | None | -100 | 15 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 239 | 5 | 1 | 2 | 2.6 | C=CCOc1cc(F)c(F)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
| CHEMBL3769968 | 138323 | 0 | None | -100 | 15 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 239 | 5 | 1 | 2 | 2.6 | C=CCOc1cc(F)c(F)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
| CHEMBL3771384 | 138323 | 0 | None | -100 | 15 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 239 | 5 | 1 | 2 | 2.6 | C=CCOc1cc(F)c(F)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
| 156009698 | 178312 | 0 | None | -5 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 872 | 16 | 2 | 5 | 11.0 | C[N+]1=C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)c3ccccc3C2(C)C)C(C)(C)c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL4634575 | 178312 | 0 | None | -5 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 872 | 16 | 2 | 5 | 11.0 | C[N+]1=C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)c3ccccc3C2(C)C)C(C)(C)c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL4651200 | 178312 | 0 | None | -5 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 872 | 16 | 2 | 5 | 11.0 | C[N+]1=C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)c3ccccc3C2(C)C)C(C)(C)c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| 44593620 | 187912 | 0 | None | -1 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 347 | 3 | 0 | 3 | 3.7 | CN1CCC[C@@H]1[C@@H]1C[S+]([O-])[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| CHEMBL496915 | 187912 | 0 | None | -1 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 347 | 3 | 0 | 3 | 3.7 | CN1CCC[C@@H]1[C@@H]1C[S+]([O-])[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| 44448385 | 11878 | 0 | None | -2 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 406 | 7 | 1 | 3 | 4.8 | CN1CCC(C2CCN(CCCC(O)(c3ccccc3)c3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2008.03.061 | ||
| CHEMBL1182633 | 11878 | 0 | None | -2 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 406 | 7 | 1 | 3 | 4.8 | CN1CCC(C2CCN(CCCC(O)(c3ccccc3)c3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2008.03.061 | ||
| CHEMBL257174 | 11878 | 0 | None | -2 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 406 | 7 | 1 | 3 | 4.8 | CN1CCC(C2CCN(CCCC(O)(c3ccccc3)c3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2008.03.061 | ||
| 135398745 | 2893 | 112 | None | -8 | 66 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | nan | ||
| 47 | 2893 | 112 | None | -8 | 66 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | nan | ||
| CHEMBL715 | 2893 | 112 | None | -8 | 66 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | nan | ||
| DB00334 | 2893 | 112 | None | -8 | 66 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | nan | ||
| 155539713 | 176336 | 0 | None | -257 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 923 | 22 | 7 | 11 | 3.1 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4515788 | 176336 | 0 | None | -257 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 923 | 22 | 7 | 11 | 3.1 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4595691 | 176336 | 0 | None | -257 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 923 | 22 | 7 | 11 | 3.1 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| 71575029 | 86195 | 0 | None | -1 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 349 | 6 | 0 | 3 | 4.3 | CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccccc2C)C1 | 10.1021/jm301774u | ||
| CHEMBL2312391 | 86195 | 0 | None | -1 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 349 | 6 | 0 | 3 | 4.3 | CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccccc2C)C1 | 10.1021/jm301774u | ||
| 73346336 | 92516 | 0 | None | -5 | 6 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 325 | 5 | 0 | 2 | 3.0 | CN(CCCc1cccc(F)c1)[C@H]1C2C3CC4C2C(=O)C2C4C3C21 | 10.1016/j.bmc.2013.07.045 | ||
| CHEMBL2432054 | 92516 | 0 | None | -5 | 6 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 325 | 5 | 0 | 2 | 3.0 | CN(CCCc1cccc(F)c1)[C@H]1C2C3CC4C2C(=O)C2C4C3C21 | 10.1016/j.bmc.2013.07.045 | ||
| 155560305 | 176229 | 0 | None | -1230 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 801 | 19 | 5 | 9 | 2.8 | CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4568151 | 176229 | 0 | None | -1230 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 801 | 19 | 5 | 9 | 2.8 | CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4594890 | 176229 | 0 | None | -1230 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 801 | 19 | 5 | 9 | 2.8 | CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| 155566290 | 176556 | 0 | None | -4365 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 916 | 24 | 9 | 11 | 1.4 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4582879 | 176556 | 0 | None | -4365 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 916 | 24 | 9 | 11 | 1.4 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4597498 | 176556 | 0 | None | -4365 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 916 | 24 | 9 | 11 | 1.4 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| 156011605 | 178259 | 0 | None | -1 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 326 | 5 | 0 | 2 | 3.4 | C[N+](C)(C)C[C@@H]1CO[C@H](c2ccc(Cc3ccccc3)cc2)CO1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4638067 | 178259 | 0 | None | -1 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 326 | 5 | 0 | 2 | 3.4 | C[N+](C)(C)C[C@@H]1CO[C@H](c2ccc(Cc3ccccc3)cc2)CO1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4650888 | 178259 | 0 | None | -1 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 326 | 5 | 0 | 2 | 3.4 | C[N+](C)(C)C[C@@H]1CO[C@H](c2ccc(Cc3ccccc3)cc2)CO1 | 10.1021/acs.jmedchem.9b02100 | ||
| 73352414 | 92503 | 0 | None | -4 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 257 | 3 | 1 | 1 | 3.3 | C1CCC(CN[C@H]2C3C4CC5C6C4CC3C6C52)CC1 | 10.1016/j.bmc.2013.07.045 | ||
| CHEMBL2432038 | 92503 | 0 | None | -4 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 257 | 3 | 1 | 1 | 3.3 | C1CCC(CN[C@H]2C3C4CC5C6C4CC3C6C52)CC1 | 10.1016/j.bmc.2013.07.045 | ||
| 154417 | 93231 | 60 | None | -1 | 9 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | CN1[C@H]2CC[C@@H]1CC(OC(=O)[C@H](CO)c1ccccc1)C2 | 10.1021/jm500790x | ||
| CHEMBL2449003 | 93231 | 60 | None | -1 | 9 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | CN1[C@H]2CC[C@@H]1CC(OC(=O)[C@H](CO)c1ccccc1)C2 | 10.1021/jm500790x | ||
| 44593625 | 188106 | 0 | None | -1 | 5 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 362 | 3 | 0 | 2 | 3.8 | C[N+]1(C)CCC[C@H]1[C@H]1C[S+]([O-])[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| CHEMBL498358 | 188106 | 0 | None | -1 | 5 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 362 | 3 | 0 | 2 | 3.8 | C[N+]1(C)CCC[C@H]1[C@H]1C[S+]([O-])[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| CHEMBL539120 | 188106 | 0 | None | -1 | 5 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 362 | 3 | 0 | 2 | 3.8 | C[N+]1(C)CCC[C@H]1[C@H]1C[S+]([O-])[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| 16115943 | 11815 | 0 | None | -3 | 5 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 346 | 3 | 0 | 2 | 4.8 | C[N+]1(C)CCC[C@@H]1[C@@H]1CS[C@](c2ccccc2)(C2CCCCC2)O1 | 10.1021/jm061374r | ||
| CHEMBL1182205 | 11815 | 0 | None | -3 | 5 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 346 | 3 | 0 | 2 | 4.8 | C[N+]1(C)CCC[C@@H]1[C@@H]1CS[C@](c2ccccc2)(C2CCCCC2)O1 | 10.1021/jm061374r | ||
| CHEMBL220393 | 11815 | 0 | None | -3 | 5 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 346 | 3 | 0 | 2 | 4.8 | C[N+]1(C)CCC[C@@H]1[C@@H]1CS[C@](c2ccccc2)(C2CCCCC2)O1 | 10.1021/jm061374r | ||
| 16115796 | 137192 | 0 | None | -4 | 5 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 325 | 3 | 0 | 3 | 4.1 | CN1CCC[C@@H]1[C@@H]1CSC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm061374r | ||
| CHEMBL375073 | 137192 | 0 | None | -4 | 5 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 325 | 3 | 0 | 3 | 4.1 | CN1CCC[C@@H]1[C@@H]1CSC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm061374r | ||
| 2286 | 3161 | 51 | None | -1 | 30 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | ||
| 4927 | 3161 | 51 | None | -1 | 30 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | ||
| 7282 | 3161 | 51 | None | -1 | 30 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | ||
| CHEMBL643 | 3161 | 51 | None | -1 | 30 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | ||
| DB01069 | 3161 | 51 | None | -1 | 30 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | ||
| 44627853 | 197658 | 0 | None | -2 | 5 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 339 | 4 | 1 | 3 | 4.9 | CN1CCC[C@@H]1c1ccc([C@](O)(c2ccccc2)C2CCCCC2)o1 | 10.1021/jm901048j | ||
| CHEMBL571121 | 197658 | 0 | None | -2 | 5 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 339 | 4 | 1 | 3 | 4.9 | CN1CCC[C@@H]1c1ccc([C@](O)(c2ccccc2)C2CCCCC2)o1 | 10.1021/jm901048j | ||
| 16115801 | 12263 | 0 | None | -1 | 5 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 340 | 3 | 0 | 2 | 4.3 | C[N+]1(C)CCC[C@@H]1[C@@H]1CSC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm061374r | ||
| CHEMBL1184882 | 12263 | 0 | None | -1 | 5 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 340 | 3 | 0 | 2 | 4.3 | C[N+]1(C)CCC[C@@H]1[C@@H]1CSC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm061374r | ||
| CHEMBL375851 | 12263 | 0 | None | -1 | 5 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 340 | 3 | 0 | 2 | 4.3 | C[N+]1(C)CCC[C@@H]1[C@@H]1CSC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm061374r | ||
| 75167447 | 178262 | 0 | None | -7 | 5 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 318 | 4 | 0 | 2 | 3.6 | C[N+](C)(C)CC1COCC(c2ccccc2)(C2CCCCC2)O1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4634230 | 178262 | 0 | None | -7 | 5 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 318 | 4 | 0 | 2 | 3.6 | C[N+](C)(C)CC1COCC(c2ccccc2)(C2CCCCC2)O1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4650933 | 178262 | 0 | None | -7 | 5 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 318 | 4 | 0 | 2 | 3.6 | C[N+](C)(C)CC1COCC(c2ccccc2)(C2CCCCC2)O1 | 10.1021/acs.jmedchem.9b02100 | ||
| 9936450 | 35125 | 0 | None | -5 | 5 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 518 | 14 | 0 | 10 | 5.0 | CN1CCC=C(c2nsnc2OCCCCCCCCCOc2nsnc2C2=CCCN(C)C2)C1 | 10.1021/jm501173q | ||
| CHEMBL143469 | 35125 | 0 | None | -5 | 5 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 518 | 14 | 0 | 10 | 5.0 | CN1CCC=C(c2nsnc2OCCCCCCCCCOc2nsnc2C2=CCCN(C)C2)C1 | 10.1021/jm501173q | ||
| 11828362 | 78891 | 0 | None | -39 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 636 | 15 | 3 | 4 | 5.8 | O=C(CCNC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NCCC(=O)NC[C@H]1CCCN(CC2CCCCC2)C1 | 10.1021/jm010480k | ||
| CHEMBL2112959 | 78891 | 0 | None | -39 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 636 | 15 | 3 | 4 | 5.8 | O=C(CCNC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NCCC(=O)NC[C@H]1CCCN(CC2CCCCC2)C1 | 10.1021/jm010480k | ||
| 155529196 | 171386 | 0 | None | -1 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 368 | 4 | 0 | 3 | 4.4 | Cc1ccc(COC(=O)N(c2ccccc2)C2CN3CCC2CC3)cc1F | 10.1016/j.bmcl.2018.12.022 | ||
| CHEMBL4462631 | 171386 | 0 | None | -1 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 368 | 4 | 0 | 3 | 4.4 | Cc1ccc(COC(=O)N(c2ccccc2)C2CN3CCC2CC3)cc1F | 10.1016/j.bmcl.2018.12.022 | ||
| 71575337 | 86172 | 0 | None | -1 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 351 | 6 | 0 | 4 | 3.6 | COc1ccc(CCOC(=O)C2=C(c3ccccc3)CCN(C)C2)cc1 | 10.1021/jm301774u | ||
| CHEMBL2312358 | 86172 | 0 | None | -1 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 351 | 6 | 0 | 4 | 3.6 | COc1ccc(CCOC(=O)C2=C(c3ccccc3)CCN(C)C2)cc1 | 10.1021/jm301774u | ||
| 44593623 | 187856 | 0 | None | -2 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 356 | 3 | 0 | 2 | 3.3 | C[N+]1(C)CCC[C@H]1[C@H]1C[S+]([O-])C(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| CHEMBL496503 | 187856 | 0 | None | -2 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 356 | 3 | 0 | 2 | 3.3 | C[N+]1(C)CCC[C@H]1[C@H]1C[S+]([O-])C(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| CHEMBL539373 | 187856 | 0 | None | -2 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 356 | 3 | 0 | 2 | 3.3 | C[N+]1(C)CCC[C@H]1[C@H]1C[S+]([O-])C(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| 44593620 | 187912 | 0 | None | -1 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 347 | 3 | 0 | 3 | 3.7 | CN1CCC[C@@H]1[C@@H]1C[S+]([O-])[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| CHEMBL496915 | 187912 | 0 | None | -1 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 347 | 3 | 0 | 3 | 3.7 | CN1CCC[C@@H]1[C@@H]1C[S+]([O-])[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| 155567380 | 176384 | 0 | None | -389 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 981 | 20 | 7 | 10 | 4.7 | CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4589047 | 176384 | 0 | None | -389 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 981 | 20 | 7 | 10 | 4.7 | CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4596064 | 176384 | 0 | None | -389 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 981 | 20 | 7 | 10 | 4.7 | CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| 156015900 | 178297 | 0 | None | -75 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 1687 | 34 | 6 | 18 | 11.6 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCc3cc(C(=O)NCCN4CCC(N5CCC(n6c(=O)[nH]c7ccccc76)CC5)CC4)cc(C(=O)NCCN4CCN(CCCCC5CCN(CC(=O)N6c7ccccc7NC(=O)c7ccccc76)CC5)CC4)c3)c3ccc(S(=O)(=O)[O-])cc3C2(C)C)=[N+](CCCCS(=O)(=O)O)c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL4643273 | 178297 | 0 | None | -75 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 1687 | 34 | 6 | 18 | 11.6 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCc3cc(C(=O)NCCN4CCC(N5CCC(n6c(=O)[nH]c7ccccc76)CC5)CC4)cc(C(=O)NCCN4CCN(CCCCC5CCN(CC(=O)N6c7ccccc7NC(=O)c7ccccc76)CC5)CC4)c3)c3ccc(S(=O)(=O)[O-])cc3C2(C)C)=[N+](CCCCS(=O)(=O)O)c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL4651104 | 178297 | 0 | None | -75 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 1687 | 34 | 6 | 18 | 11.6 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCc3cc(C(=O)NCCN4CCC(N5CCC(n6c(=O)[nH]c7ccccc76)CC5)CC4)cc(C(=O)NCCN4CCN(CCCCC5CCN(CC(=O)N6c7ccccc7NC(=O)c7ccccc76)CC5)CC4)c3)c3ccc(S(=O)(=O)[O-])cc3C2(C)C)=[N+](CCCCS(=O)(=O)O)c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| 118719924 | 115752 | 0 | None | -2 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 649 | 20 | 0 | 7 | 8.4 | CN1CCC=C(c2nsnc2OCCCCCCCCCCCCCC2CCN(CCCN3C(=O)CCc4ccccc43)CC2)C1 | 10.1021/jm501173q | ||
| CHEMBL3354071 | 115752 | 0 | None | -2 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 649 | 20 | 0 | 7 | 8.4 | CN1CCC=C(c2nsnc2OCCCCCCCCCCCCCC2CCN(CCCN3C(=O)CCc4ccccc43)CC2)C1 | 10.1021/jm501173q | ||
| CHEMBL69452 | 203951 | 0 | None | -2 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 331 | 6 | 1 | 5 | 2.7 | CCO/C(O)=C1\CN2CC(CCC2COCc2ccccc2)C1=O | 10.1021/jm020572p | ||
| 156015719 | 178234 | 0 | None | -6 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 312 | 4 | 0 | 2 | 3.6 | C[N+](C)(C)C[C@@H]1CO[C@H](c2ccccc2)[C@@H](c2ccccc2)O1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4646457 | 178234 | 0 | None | -6 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 312 | 4 | 0 | 2 | 3.6 | C[N+](C)(C)C[C@@H]1CO[C@H](c2ccccc2)[C@@H](c2ccccc2)O1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4650699 | 178234 | 0 | None | -6 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 312 | 4 | 0 | 2 | 3.6 | C[N+](C)(C)C[C@@H]1CO[C@H](c2ccccc2)[C@@H](c2ccccc2)O1 | 10.1021/acs.jmedchem.9b02100 | ||
| 44274441 | 99065 | 0 | None | -4 | 5 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 320 | 5 | 0 | 4 | 3.1 | CN(C)CCOC(=O)C1=C/C(=C\c2cccnc2)c2ccccc21 | 10.1016/s0960-894x(01)00186-x | ||
| CHEMBL280684 | 99065 | 0 | None | -4 | 5 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 320 | 5 | 0 | 4 | 3.1 | CN(C)CCOC(=O)C1=C/C(=C\c2cccnc2)c2ccccc21 | 10.1016/s0960-894x(01)00186-x | ||
| 11504244 | 106492 | 0 | None | -199 | 2 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 498 | 13 | 0 | 5 | 3.1 | C[N+](C)(CC#CCOC1=NOCC1)CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O | 10.1021/jm500790x | ||
| 60138185 | 106492 | 0 | None | -199 | 2 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 498 | 13 | 0 | 5 | 3.1 | C[N+](C)(CC#CCOC1=NOCC1)CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O | 10.1021/jm500790x | ||
| CHEMBL3121474 | 106492 | 0 | None | -199 | 2 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 498 | 13 | 0 | 5 | 3.1 | C[N+](C)(CC#CCOC1=NOCC1)CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O | 10.1021/jm500790x | ||
| CHEMBL3140249 | 106492 | 0 | None | -199 | 2 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 498 | 13 | 0 | 5 | 3.1 | C[N+](C)(CC#CCOC1=NOCC1)CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O | 10.1021/jm500790x | ||
| 44422697 | 11820 | 0 | None | -5 | 5 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 174 | 2 | 0 | 2 | 0.5 | C[C@H]1COC[C@H](C[N+](C)(C)C)O1 | 10.1016/j.bmcl.2007.11.073 | ||
| CHEMBL1182277 | 11820 | 0 | None | -5 | 5 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 174 | 2 | 0 | 2 | 0.5 | C[C@H]1COC[C@H](C[N+](C)(C)C)O1 | 10.1016/j.bmcl.2007.11.073 | ||
| CHEMBL227429 | 11820 | 0 | None | -5 | 5 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 174 | 2 | 0 | 2 | 0.5 | C[C@H]1COC[C@H](C[N+](C)(C)C)O1 | 10.1016/j.bmcl.2007.11.073 | ||
| 11045444 | 59159 | 0 | None | -1 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 320 | 7 | 0 | 2 | 4.9 | CCCC(C1=C(CCN(C)C)Cc2ccccc21)c1ccccn1 | 10.1021/jm020895l | ||
| CHEMBL170088 | 59159 | 0 | None | -1 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 320 | 7 | 0 | 2 | 4.9 | CCCC(C1=C(CCN(C)C)Cc2ccccc21)c1ccccn1 | 10.1021/jm020895l | ||
| 44593624 | 188105 | 0 | None | -2 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 362 | 3 | 0 | 2 | 3.8 | C[N+]1(C)CCC[C@@H]1[C@@H]1C[S+]([O-])[C@](c2ccccc2)(C2CCCCC2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| CHEMBL498357 | 188105 | 0 | None | -2 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 362 | 3 | 0 | 2 | 3.8 | C[N+]1(C)CCC[C@@H]1[C@@H]1C[S+]([O-])[C@](c2ccccc2)(C2CCCCC2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| CHEMBL554916 | 188105 | 0 | None | -2 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 362 | 3 | 0 | 2 | 3.8 | C[N+]1(C)CCC[C@@H]1[C@@H]1C[S+]([O-])[C@](c2ccccc2)(C2CCCCC2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| 71575649 | 86167 | 0 | None | 1 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 367 | 7 | 0 | 5 | 3.4 | COc1ccc(OCCOC(=O)C2=C(c3ccccc3)CCN(C)C2)cc1 | 10.1021/jm301774u | ||
| CHEMBL2312349 | 86167 | 0 | None | 1 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 367 | 7 | 0 | 5 | 3.4 | COc1ccc(OCCOC(=O)C2=C(c3ccccc3)CCN(C)C2)cc1 | 10.1021/jm301774u | ||
| 9889312 | 78401 | 0 | None | -46 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 437 | 6 | 0 | 5 | 4.4 | COc1ccc([S@@+]([O-])c2ccc(C(C#N)N3CCN(C4CCCCC4)CC3)cc2)cc1 | 10.1016/s0960-894x(00)00437-6 | ||
| CHEMBL2111540 | 78401 | 0 | None | -46 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 437 | 6 | 0 | 5 | 4.4 | COc1ccc([S@@+]([O-])c2ccc(C(C#N)N3CCN(C4CCCCC4)CC3)cc2)cc1 | 10.1016/s0960-894x(00)00437-6 | ||
| 11011757 | 59193 | 0 | None | -1 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 291 | 5 | 0 | 1 | 4.8 | CC(C1=C(CCN(C)C)Cc2ccccc21)c1ccccc1 | 10.1021/jm020895l | ||
| CHEMBL170221 | 59193 | 0 | None | -1 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 291 | 5 | 0 | 1 | 4.8 | CC(C1=C(CCN(C)C)Cc2ccccc21)c1ccccc1 | 10.1021/jm020895l | ||
| 118719927 | 115755 | 0 | None | -30 | 8 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 386 | 11 | 1 | 3 | 4.4 | O=C1CCc2ccccc2N1CCCN1CCC(CCCCCCCO)CC1 | 10.1021/jm501173q | ||
| CHEMBL3354074 | 115755 | 0 | None | -30 | 8 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 386 | 11 | 1 | 3 | 4.4 | O=C1CCc2ccccc2N1CCCN1CCC(CCCCCCCO)CC1 | 10.1021/jm501173q | ||
| 10862395 | 4994 | 0 | None | -776 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 406 | 4 | 1 | 5 | 4.4 | CCOC(=O)c1c(CC)[nH]c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3 | 10.1021/jm011116o | ||
| CHEMBL105148 | 4994 | 0 | None | -776 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 406 | 4 | 1 | 5 | 4.4 | CCOC(=O)c1c(CC)[nH]c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3 | 10.1021/jm011116o | ||
| 10949838 | 5189 | 0 | None | -1023 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 420 | 4 | 0 | 6 | 4.4 | CCOC(=O)c1c(CC)n(C)c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3 | 10.1021/jm011116o | ||
| CHEMBL106218 | 5189 | 0 | None | -1023 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 420 | 4 | 0 | 6 | 4.4 | CCOC(=O)c1c(CC)n(C)c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3 | 10.1021/jm011116o | ||
| 44627748 | 14062 | 0 | None | -2 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 332 | 4 | 0 | 1 | 5.4 | C[N+]1(C)CCCC1c1ccc(C(c2ccccc2)c2ccccc2)o1 | 10.1021/jm901048j | ||
| CHEMBL1197705 | 14062 | 0 | None | -2 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 332 | 4 | 0 | 1 | 5.4 | C[N+]1(C)CCCC1c1ccc(C(c2ccccc2)c2ccccc2)o1 | 10.1021/jm901048j | ||
| CHEMBL583027 | 14062 | 0 | None | -2 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 332 | 4 | 0 | 1 | 5.4 | C[N+]1(C)CCCC1c1ccc(C(c2ccccc2)c2ccccc2)o1 | 10.1021/jm901048j | ||
| 16086062 | 80762 | 0 | None | -5888 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 730 | 11 | 2 | 5 | 5.4 | O=C(NCC1CCN(CC2CCC2)CC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1 | 10.1021/jm051205r | ||
| CHEMBL215189 | 80762 | 0 | None | -5888 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 730 | 11 | 2 | 5 | 5.4 | O=C(NCC1CCN(CC2CCC2)CC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1 | 10.1021/jm051205r | ||
| 154734599 | 2486 | 12 | None | -15 | 12 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1021/jm0155594 | ||
| 327 | 2486 | 12 | None | -15 | 12 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1021/jm0155594 | ||
| 4108 | 2486 | 12 | None | -15 | 12 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1021/jm0155594 | ||
| CHEMBL27673 | 2486 | 12 | None | -15 | 12 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1021/jm0155594 | ||
| 441383 | 20301 | 57 | None | -6 | 17 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 531 | 8 | 0 | 8 | 4.5 | CC(C)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4cncn4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | nan | ||
| CHEMBL1306 | 20301 | 57 | None | -6 | 17 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 531 | 8 | 0 | 8 | 4.5 | CC(C)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4cncn4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | nan | ||
| 10030021 | 169855 | 12 | None | -39 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 532 | 10 | 1 | 4 | 6.1 | CCCC(C)(C)C(=O)N(CC)CCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4440484 | 169855 | 12 | None | -39 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 532 | 10 | 1 | 4 | 6.1 | CCCC(C)(C)C(=O)N(CC)CCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| 155522355 | 176385 | 0 | None | -281 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 732 | 19 | 8 | 8 | 2.3 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4451030 | 176385 | 0 | None | -281 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 732 | 19 | 8 | 8 | 2.3 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4596065 | 176385 | 0 | None | -281 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 732 | 19 | 8 | 8 | 2.3 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 301 | 2517 | 19 | None | -3 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 154 | 2 | 0 | 3 | 0.9 | CO/N=C/C1=CCCN(C1)C | 10.1016/j.bmc.2007.12.036 | ||
| 9571002 | 2517 | 19 | None | -3 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 154 | 2 | 0 | 3 | 0.9 | CO/N=C/C1=CCCN(C1)C | 10.1016/j.bmc.2007.12.036 | ||
| CHEMBL151938 | 2517 | 19 | None | -3 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 154 | 2 | 0 | 3 | 0.9 | CO/N=C/C1=CCCN(C1)C | 10.1016/j.bmc.2007.12.036 | ||
| 24894628 | 179099 | 0 | None | -1 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 166 | 1 | 0 | 1 | 2.2 | C[N+]1(C)CCCC1c1ccco1 | 10.1021/jm800145d | ||
| CHEMBL471942 | 179099 | 0 | None | -1 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 166 | 1 | 0 | 1 | 2.2 | C[N+]1(C)CCCC1c1ccco1 | 10.1021/jm800145d | ||
| CHEMBL554532 | 179099 | 0 | None | -1 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 166 | 1 | 0 | 1 | 2.2 | C[N+]1(C)CCCC1c1ccco1 | 10.1021/jm800145d | ||
| 57326239 | 77153 | 0 | None | -1 | 5 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 326 | 5 | 0 | 2 | 3.3 | C[N+](C)(C)C[C@@H]1COC[C@@H](C(c2ccccc2)c2ccccc2)O1 | 10.1021/jm2013216 | ||
| CHEMBL2042551 | 77153 | 0 | None | -1 | 5 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 326 | 5 | 0 | 2 | 3.3 | C[N+](C)(C)C[C@@H]1COC[C@@H](C(c2ccccc2)c2ccccc2)O1 | 10.1021/jm2013216 | ||
| CHEMBL2078974 | 77153 | 0 | None | -1 | 5 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 326 | 5 | 0 | 2 | 3.3 | C[N+](C)(C)C[C@@H]1COC[C@@H](C(c2ccccc2)c2ccccc2)O1 | 10.1021/jm2013216 | ||
| 7047822 | 176812 | 15 | None | -1 | 5 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 137 | 1 | 1 | 2 | 1.7 | c1coc([C@H]2CCCN2)c1 | 10.1021/jm800145d | ||
| CHEMBL461088 | 176812 | 15 | None | -1 | 5 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 137 | 1 | 1 | 2 | 1.7 | c1coc([C@H]2CCCN2)c1 | 10.1021/jm800145d | ||
| 24894633 | 176876 | 0 | None | -1 | 5 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 165 | 1 | 0 | 2 | 2.4 | Cc1ccc([C@H]2CCCN2C)o1 | 10.1021/jm800145d | ||
| CHEMBL461709 | 176876 | 0 | None | -1 | 5 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 165 | 1 | 0 | 2 | 2.4 | Cc1ccc([C@H]2CCCN2C)o1 | 10.1021/jm800145d | ||
| 16086064 | 79931 | 0 | None | -6165 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 730 | 10 | 2 | 5 | 5.6 | O=C(NCC1CCN(C2CCCC2)CC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1 | 10.1021/jm051205r | ||
| CHEMBL212645 | 79931 | 0 | None | -6165 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 730 | 10 | 2 | 5 | 5.6 | O=C(NCC1CCN(C2CCCC2)CC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1 | 10.1021/jm051205r | ||
| 657255 | 199061 | 34 | None | -20 | 15 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 337 | 12 | 2 | 3 | 5.6 | CCCCCCCCN[C@H](C)[C@@H](O)c1ccc(SC(C)C)cc1 | nan | ||
| CHEMBL588119 | 199061 | 34 | None | -20 | 15 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 337 | 12 | 2 | 3 | 5.6 | CCCCCCCCN[C@H](C)[C@@H](O)c1ccc(SC(C)C)cc1 | nan | ||
| 10957754 | 59014 | 0 | None | -12 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 306 | 6 | 0 | 2 | 4.5 | CC(C1=C(CCCN(C)C)Cc2ccccc21)c1ccccn1 | 10.1021/jm020895l | ||
| CHEMBL169401 | 59014 | 0 | None | -12 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 306 | 6 | 0 | 2 | 4.5 | CC(C1=C(CCCN(C)C)Cc2ccccc21)c1ccccn1 | 10.1021/jm020895l | ||
| 11024241 | 120275 | 0 | None | -3 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 338 | 6 | 0 | 3 | 4.9 | CSc1ccc2c(c1)C(C(C)c1ccccn1)=C(CCN(C)C)C2 | 10.1021/jm020895l | ||
| CHEMBL352723 | 120275 | 0 | None | -3 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 338 | 6 | 0 | 3 | 4.9 | CSc1ccc2c(c1)C(C(C)c1ccccn1)=C(CCN(C)C)C2 | 10.1021/jm020895l | ||
| 156015968 | 178221 | 0 | None | -6 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 326 | 5 | 0 | 2 | 3.3 | C[N+](C)(C)C[C@@H]1CO[C@H](C(c2ccccc2)c2ccccc2)CO1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4648657 | 178221 | 0 | None | -6 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 326 | 5 | 0 | 2 | 3.3 | C[N+](C)(C)C[C@@H]1CO[C@H](C(c2ccccc2)c2ccccc2)CO1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4650620 | 178221 | 0 | None | -6 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 326 | 5 | 0 | 2 | 3.3 | C[N+](C)(C)C[C@@H]1CO[C@H](C(c2ccccc2)c2ccccc2)CO1 | 10.1021/acs.jmedchem.9b02100 | ||
| 46227483 | 14093 | 0 | None | -1 | 5 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 202 | 2 | 0 | 2 | 1.3 | C[C@H]1OC[C@@H](C[N+](C)(C)C)OC1(C)C | 10.1016/j.bmc.2009.10.027 | ||
| CHEMBL1198039 | 14093 | 0 | None | -1 | 5 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 202 | 2 | 0 | 2 | 1.3 | C[C@H]1OC[C@@H](C[N+](C)(C)C)OC1(C)C | 10.1016/j.bmc.2009.10.027 | ||
| CHEMBL593685 | 14093 | 0 | None | -1 | 5 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 202 | 2 | 0 | 2 | 1.3 | C[C@H]1OC[C@@H](C[N+](C)(C)C)OC1(C)C | 10.1016/j.bmc.2009.10.027 | ||
| 132947 | 3835 | 9 | None | -134 | 9 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 1124 | 29 | 4 | 13 | 10.2 | CN(CCCCCCNCC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)CCCCCCCCN(CCCCCCN(CC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)CC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)C | 10.1016/s0960-894x(01)00186-x | ||
| 361 | 3835 | 9 | None | -134 | 9 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 1124 | 29 | 4 | 13 | 10.2 | CN(CCCCCCNCC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)CCCCCCCCN(CCCCCCN(CC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)CC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)C | 10.1016/s0960-894x(01)00186-x | ||
| CHEMBL265256 | 3835 | 9 | None | -134 | 9 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 1124 | 29 | 4 | 13 | 10.2 | CN(CCCCCCNCC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)CCCCCCCCN(CCCCCCN(CC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)CC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)C | 10.1016/s0960-894x(01)00186-x | ||
| 155519740 | 170382 | 0 | None | -125 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 1125 | 29 | 4 | 14 | 9.6 | CN(CCCCCCCCN(C)CCCCCCN(CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)CCCCCCNCC(=O)N1c2ncccc2NC(=O)c2cccnc21 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4448108 | 170382 | 0 | None | -125 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 1125 | 29 | 4 | 14 | 9.6 | CN(CCCCCCCCN(C)CCCCCCN(CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)CCCCCCNCC(=O)N1c2ncccc2NC(=O)c2cccnc21 | 10.1021/acs.jmedchem.8b01967 | ||
| 155525097 | 170926 | 0 | None | -426 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 712 | 13 | 1 | 10 | 5.5 | CN1CC=C(c2nsnc2OCCCN2CCN(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)CC2)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4455570 | 170926 | 0 | None | -426 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 712 | 13 | 1 | 10 | 5.5 | CN1CC=C(c2nsnc2OCCCN2CCN(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)CC2)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| 44593627 | 193275 | 0 | None | -2 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 362 | 3 | 0 | 2 | 3.8 | C[N+]1(C)CCC[C@H]1[C@H]1C[S+]([O-])[C@](c2ccccc2)(C2CCCCC2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| CHEMBL524071 | 193275 | 0 | None | -2 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 362 | 3 | 0 | 2 | 3.8 | C[N+]1(C)CCC[C@H]1[C@H]1C[S+]([O-])[C@](c2ccccc2)(C2CCCCC2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| CHEMBL541671 | 193275 | 0 | None | -2 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 362 | 3 | 0 | 2 | 3.8 | C[N+]1(C)CCC[C@H]1[C@H]1C[S+]([O-])[C@](c2ccccc2)(C2CCCCC2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| 57326146 | 77158 | 0 | None | -1 | 5 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 236 | 3 | 0 | 2 | 1.8 | C[N+](C)(C)C[C@@H]1COC[C@@H](c2ccccc2)O1 | 10.1021/jm2013216 | ||
| CHEMBL2042403 | 77158 | 0 | None | -1 | 5 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 236 | 3 | 0 | 2 | 1.8 | C[N+](C)(C)C[C@@H]1COC[C@@H](c2ccccc2)O1 | 10.1021/jm2013216 | ||
| CHEMBL2079020 | 77158 | 0 | None | -1 | 5 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 236 | 3 | 0 | 2 | 1.8 | C[N+](C)(C)C[C@@H]1COC[C@@H](c2ccccc2)O1 | 10.1021/jm2013216 | ||
| 71574174 | 86109 | 0 | None | 8 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 399 | 7 | 0 | 5 | 3.7 | COc1ccc(CCOC(=O)C2=C(c3cccc(F)c3)CCN(C)C2)cc1OC | 10.1021/jm301774u | ||
| CHEMBL2311547 | 86109 | 0 | None | 8 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 399 | 7 | 0 | 5 | 3.7 | COc1ccc(CCOC(=O)C2=C(c3cccc(F)c3)CCN(C)C2)cc1OC | 10.1021/jm301774u | ||
| 56963799 | 74866 | 0 | None | -851 | 10 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 378 | 6 | 0 | 5 | 4.6 | C[C@@H]1CCCN1CCc1cc2cc(C(=O)c3ccc([N+](=O)[O-])cc3)ccc2o1 | 10.1021/jm201690h | ||
| CHEMBL2031737 | 74866 | 0 | None | -851 | 10 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 378 | 6 | 0 | 5 | 4.6 | C[C@@H]1CCCN1CCc1cc2cc(C(=O)c3ccc([N+](=O)[O-])cc3)ccc2o1 | 10.1021/jm201690h | ||
| 118719930 | 115758 | 0 | None | -3 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 470 | 17 | 1 | 3 | 6.7 | O=C1CCc2ccccc2N1CCCN1CCC(CCCCCCCCCCCCCO)CC1 | 10.1021/jm501173q | ||
| CHEMBL3354077 | 115758 | 0 | None | -3 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 470 | 17 | 1 | 3 | 6.7 | O=C1CCc2ccccc2N1CCCN1CCC(CCCCCCCCCCCCCO)CC1 | 10.1021/jm501173q | ||
| 44593616 | 193190 | 0 | None | -3 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 341 | 3 | 0 | 3 | 3.1 | CN1CCC[C@@H]1[C@@H]1C[S+]([O-])C(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| CHEMBL523518 | 193190 | 0 | None | -3 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 341 | 3 | 0 | 3 | 3.1 | CN1CCC[C@@H]1[C@@H]1C[S+]([O-])C(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| 11498 | 2997 | 41 | None | -218 | 6 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 392 | 3 | 1 | 5 | 4.1 | CCOC(=O)c1c(C)[nH]c2c1c1CN3CCc4c(C3Oc1cc2)ccc(c4)OC | 10.1021/jm011116o | ||
| 4995951 | 2997 | 41 | None | -218 | 6 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 392 | 3 | 1 | 5 | 4.1 | CCOC(=O)c1c(C)[nH]c2c1c1CN3CCc4c(C3Oc1cc2)ccc(c4)OC | 10.1021/jm011116o | ||
| CHEMBL59898 | 2997 | 41 | None | -218 | 6 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 392 | 3 | 1 | 5 | 4.1 | CCOC(=O)c1c(C)[nH]c2c1c1CN3CCc4c(C3Oc1cc2)ccc(c4)OC | 10.1021/jm011116o | ||
| 10203251 | 5192 | 0 | None | -1698 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 434 | 5 | 0 | 6 | 4.8 | CCCc1c(C(=O)OCC)c2c3c(ccc2n1C)OC1c2ccc(OC)cc2CCN1C3 | 10.1021/jm011116o | ||
| CHEMBL106224 | 5192 | 0 | None | -1698 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 434 | 5 | 0 | 6 | 4.8 | CCCc1c(C(=O)OCC)c2c3c(ccc2n1C)OC1c2ccc(OC)cc2CCN1C3 | 10.1021/jm011116o | ||
| 11523051 | 96260 | 0 | None | -2 | 5 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 218 | 1 | 0 | 2 | 0.7 | C[C@@H]1O[C@H]([C@@H]2CCC[N+]2(C)C)C[S@@+]1[O-] | 10.1021/jm0510878 | ||
| CHEMBL2093084 | 96260 | 0 | None | -2 | 5 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 218 | 1 | 0 | 2 | 0.7 | C[C@@H]1O[C@H]([C@@H]2CCC[N+]2(C)C)C[S@@+]1[O-] | 10.1021/jm0510878 | ||
| CHEMBL261194 | 96260 | 0 | None | -2 | 5 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 218 | 1 | 0 | 2 | 0.7 | C[C@@H]1O[C@H]([C@@H]2CCC[N+]2(C)C)C[S@@+]1[O-] | 10.1021/jm0510878 | ||
| 45266386 | 194893 | 0 | None | -1 | 3 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 218 | 1 | 0 | 2 | 0.7 | C[C@@H]1O[C@H]([C@@H]2CCC[N+]2(C)C)C[S+]1[O-] | 10.1016/j.bmc.2007.12.036 | ||
| CHEMBL541424 | 194893 | 0 | None | -1 | 3 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 218 | 1 | 0 | 2 | 0.7 | C[C@@H]1O[C@H]([C@@H]2CCC[N+]2(C)C)C[S+]1[O-] | 10.1016/j.bmc.2007.12.036 | ||
| 118719929 | 115757 | 0 | None | -3 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 442 | 15 | 1 | 3 | 6.0 | O=C1CCc2ccccc2N1CCCN1CCC(CCCCCCCCCCCO)CC1 | 10.1021/jm501173q | ||
| CHEMBL3354076 | 115757 | 0 | None | -3 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 442 | 15 | 1 | 3 | 6.0 | O=C1CCc2ccccc2N1CCCN1CCC(CCCCCCCCCCCO)CC1 | 10.1021/jm501173q | ||
| 155563061 | 175277 | 0 | None | -1 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 410 | 7 | 0 | 5 | 4.0 | COc1ccc(CCOC(=O)N(c2ccccc2)C2CN3CCC2CC3)cc1OC | 10.1016/j.bmcl.2018.12.022 | ||
| CHEMBL4573269 | 175277 | 0 | None | -1 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 410 | 7 | 0 | 5 | 4.0 | COc1ccc(CCOC(=O)N(c2ccccc2)C2CN3CCC2CC3)cc1OC | 10.1016/j.bmcl.2018.12.022 | ||
| 134149168 | 148222 | 0 | None | -5 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 297 | 2 | 0 | 2 | 3.6 | CN1CC[C@H]2CC(=O)[C@H](Cc3ccccc3)[C@H]3CCC[C@@H]1[C@H]23 | 10.1016/j.bmcl.2016.10.065 | ||
| CHEMBL3936289 | 148222 | 0 | None | -5 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 297 | 2 | 0 | 2 | 3.6 | CN1CC[C@H]2CC(=O)[C@H](Cc3ccccc3)[C@H]3CCC[C@@H]1[C@H]23 | 10.1016/j.bmcl.2016.10.065 | ||
| 156014205 | 178268 | 0 | None | -3 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 318 | 4 | 0 | 2 | 3.6 | C[N+](C)(C)C[C@@H]1CO[C@@](c2ccccc2)(C2CCCCC2)CO1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4635385 | 178268 | 0 | None | -3 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 318 | 4 | 0 | 2 | 3.6 | C[N+](C)(C)C[C@@H]1CO[C@@](c2ccccc2)(C2CCCCC2)CO1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4650957 | 178268 | 0 | None | -3 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 318 | 4 | 0 | 2 | 3.6 | C[N+](C)(C)C[C@@H]1CO[C@@](c2ccccc2)(C2CCCCC2)CO1 | 10.1021/acs.jmedchem.9b02100 | ||
| 2200 | 3109 | 46 | None | -8 | 13 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1016/j.bmc.2007.09.003 | ||
| 328 | 3109 | 46 | None | -8 | 13 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1016/j.bmc.2007.09.003 | ||
| 4848 | 3109 | 46 | None | -8 | 13 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1016/j.bmc.2007.09.003 | ||
| CHEMBL9967 | 3109 | 46 | None | -8 | 13 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1016/j.bmc.2007.09.003 | ||
| DB00670 | 3109 | 46 | None | -8 | 13 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1016/j.bmc.2007.09.003 | ||
| 16086059 | 80746 | 0 | None | -15488 | 7 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 662 | 9 | 3 | 5 | 3.9 | O=C(NCC1CCNCC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1 | 10.1021/jm301774u | ||
| CHEMBL215180 | 80746 | 0 | None | -15488 | 7 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 662 | 9 | 3 | 5 | 3.9 | O=C(NCC1CCNCC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1 | 10.1021/jm301774u | ||
| 16086059 | 80746 | 0 | None | -15488 | 7 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 662 | 9 | 3 | 5 | 3.9 | O=C(NCC1CCNCC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1 | 10.1021/jm051205r | ||
| CHEMBL215180 | 80746 | 0 | None | -15488 | 7 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 662 | 9 | 3 | 5 | 3.9 | O=C(NCC1CCNCC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1 | 10.1021/jm051205r | ||
| 44593616 | 193190 | 0 | None | -3 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 341 | 3 | 0 | 3 | 3.1 | CN1CCC[C@@H]1[C@@H]1C[S+]([O-])C(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| CHEMBL523518 | 193190 | 0 | None | -3 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 341 | 3 | 0 | 3 | 3.1 | CN1CCC[C@@H]1[C@@H]1C[S+]([O-])C(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| 10474335 | 194669 | 23 | None | -123 | 10 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 370 | 6 | 0 | 3 | 4.8 | COc1cccc2c1CCCC2CCCN1CCN(C2CCCCC2)CC1 | 10.1038/s41586-020-2286-9 | ||
| CHEMBL53325 | 194669 | 23 | None | -123 | 10 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 370 | 6 | 0 | 3 | 4.8 | COc1cccc2c1CCCC2CCCN1CCN(C2CCCCC2)CC1 | 10.1038/s41586-020-2286-9 | ||
| 137645938 | 157559 | 0 | None | -2570 | 8 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 342 | 8 | 0 | 2 | 4.6 | CCCCCC1CCN(CCCN2C(=O)CCc3ccccc32)CC1 | 10.1021/acs.jmedchem.8b00265 | ||
| CHEMBL4080675 | 157559 | 0 | None | -2570 | 8 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 342 | 8 | 0 | 2 | 4.6 | CCCCCC1CCN(CCCN2C(=O)CCc3ccccc32)CC1 | 10.1021/acs.jmedchem.8b00265 | ||
| 71575026 | 86193 | 0 | None | -1 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 351 | 6 | 0 | 4 | 3.9 | CCN1CCC(c2ccccc2)=C(C(=O)OCc2ccc(OC)cc2)C1 | 10.1021/jm301774u | ||
| CHEMBL2312388 | 86193 | 0 | None | -1 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 351 | 6 | 0 | 4 | 3.9 | CCN1CCC(c2ccccc2)=C(C(=O)OCc2ccc(OC)cc2)C1 | 10.1021/jm301774u | ||
| 155560140 | 176323 | 0 | None | -245 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 789 | 21 | 9 | 9 | 1.4 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4565234 | 176323 | 0 | None | -245 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 789 | 21 | 9 | 9 | 1.4 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4595575 | 176323 | 0 | None | -245 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 789 | 21 | 9 | 9 | 1.4 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| 145961495 | 161422 | 0 | None | -5 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 407 | 4 | 0 | 5 | 3.4 | C[C@]1(C(=O)O[C@H]2CN3CCC2CC3)COCC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.ejmech.2017.06.004 | ||
| CHEMBL4127373 | 161422 | 0 | None | -5 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 407 | 4 | 0 | 5 | 3.4 | C[C@]1(C(=O)O[C@H]2CN3CCC2CC3)COCC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.ejmech.2017.06.004 | ||
| 10880435 | 59029 | 0 | None | -15 | 5 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 278 | 5 | 0 | 2 | 3.6 | CN(C)CCC1=C(Cc2ccccn2)c2ccccc2C1 | 10.1021/jm020895l | ||
| CHEMBL169494 | 59029 | 0 | None | -15 | 5 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 278 | 5 | 0 | 2 | 3.6 | CN(C)CCC1=C(Cc2ccccn2)c2ccccc2C1 | 10.1021/jm020895l | ||
| 24894109 | 189004 | 0 | None | -2 | 5 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 180 | 1 | 0 | 1 | 2.5 | Cc1ccc([C@@H]2CCC[N+]2(C)C)o1 | 10.1021/jm800145d | ||
| CHEMBL509202 | 189004 | 0 | None | -2 | 5 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 180 | 1 | 0 | 1 | 2.5 | Cc1ccc([C@@H]2CCC[N+]2(C)C)o1 | 10.1021/jm800145d | ||
| CHEMBL551563 | 189004 | 0 | None | -2 | 5 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 180 | 1 | 0 | 1 | 2.5 | Cc1ccc([C@@H]2CCC[N+]2(C)C)o1 | 10.1021/jm800145d | ||
| 10982070 | 5134 | 0 | None | -19 | 5 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 392 | 2 | 0 | 6 | 3.7 | COC(=O)c1c(C)n(C)c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3 | 10.1021/jm011116o | ||
| CHEMBL105945 | 5134 | 0 | None | -19 | 5 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 392 | 2 | 0 | 6 | 3.7 | COC(=O)c1c(C)n(C)c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3 | 10.1021/jm011116o | ||
| 68617 | 205504 | 62 | None | -22 | 26 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | nan | ||
| CHEMBL1709 | 205504 | 62 | None | -22 | 26 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | nan | ||
| CHEMBL809 | 205504 | 62 | None | -22 | 26 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | nan | ||
| 11039424 | 78887 | 1 | None | -120 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 622 | 14 | 3 | 4 | 5.4 | O=C(CCNC(=O)CNC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NC[C@H]1CCCN(CC2CCCCC2)C1 | 10.1021/jm010480k | ||
| CHEMBL2112955 | 78887 | 1 | None | -120 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 622 | 14 | 3 | 4 | 5.4 | O=C(CCNC(=O)CNC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NC[C@H]1CCCN(CC2CCCCC2)C1 | 10.1021/jm010480k | ||
| 44627744 | 14008 | 0 | None | -1 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 348 | 4 | 1 | 2 | 4.5 | C[N+]1(C)CCCC1c1ccc(C(O)(c2ccccc2)c2ccccc2)o1 | 10.1021/jm901048j | ||
| CHEMBL1197389 | 14008 | 0 | None | -1 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 348 | 4 | 1 | 2 | 4.5 | C[N+]1(C)CCCC1c1ccc(C(O)(c2ccccc2)c2ccccc2)o1 | 10.1021/jm901048j | ||
| CHEMBL569729 | 14008 | 0 | None | -1 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 348 | 4 | 1 | 2 | 4.5 | C[N+]1(C)CCCC1c1ccc(C(O)(c2ccccc2)c2ccccc2)o1 | 10.1021/jm901048j | ||
| 71575119 | 86182 | 0 | None | -1 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 413 | 6 | 0 | 3 | 4.7 | CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc(Br)cc2)C1 | 10.1021/jm301774u | ||
| CHEMBL2312373 | 86182 | 0 | None | -1 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 413 | 6 | 0 | 3 | 4.7 | CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc(Br)cc2)C1 | 10.1021/jm301774u | ||
| 22282339 | 83075 | 3 | None | -5370 | 15 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 386 | 4 | 1 | 5 | 5.1 | Cc1cc(C)cc(-c2nc(NC(=O)c3cccnc3)sc2-c2ccncc2)c1 | 10.1021/acsmedchemlett.1c00685 | ||
| CHEMBL2181976 | 83075 | 3 | None | -5370 | 15 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 386 | 4 | 1 | 5 | 5.1 | Cc1cc(C)cc(-c2nc(NC(=O)c3cccnc3)sc2-c2ccncc2)c1 | 10.1021/acsmedchemlett.1c00685 | ||
| CHEMBL5084951 | 83075 | 3 | None | -5370 | 15 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 386 | 4 | 1 | 5 | 5.1 | Cc1cc(C)cc(-c2nc(NC(=O)c3cccnc3)sc2-c2ccncc2)c1 | 10.1021/acsmedchemlett.1c00685 | ||
| 11748799 | 165387 | 0 | None | -23 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 306 | 5 | 0 | 2 | 4.3 | CN(C)CCC1=C(C(C)(C)c2ccccn2)c2ccccc2C1 | 10.1021/jm020895l | ||
| CHEMBL423831 | 165387 | 0 | None | -23 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 306 | 5 | 0 | 2 | 4.3 | CN(C)CCC1=C(C(C)(C)c2ccccn2)c2ccccc2C1 | 10.1021/jm020895l | ||
| 24865895 | 95976 | 0 | None | -1 | 5 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 174 | 2 | 0 | 2 | 0.5 | C[C@H]1COC[C@@H](C[N+](C)(C)C)O1 | 10.1016/j.bmc.2007.12.036 | ||
| CHEMBL259662 | 95976 | 0 | None | -1 | 5 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 174 | 2 | 0 | 2 | 0.5 | C[C@H]1COC[C@@H](C[N+](C)(C)C)O1 | 10.1016/j.bmc.2007.12.036 | ||
| CHEMBL390842 | 95976 | 0 | None | -1 | 5 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 174 | 2 | 0 | 2 | 0.5 | C[C@H]1COC[C@@H](C[N+](C)(C)C)O1 | 10.1016/j.bmc.2007.12.036 | ||
| 137640201 | 156937 | 2 | None | -2951 | 13 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 362 | 6 | 0 | 2 | 4.3 | O=C1CCc2ccccc2N1CCCN1CCC(Cc2ccccc2)CC1 | 10.1021/acs.jmedchem.8b00265 | ||
| CHEMBL4072818 | 156937 | 2 | None | -2951 | 13 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 362 | 6 | 0 | 2 | 4.3 | O=C1CCc2ccccc2N1CCCN1CCC(Cc2ccccc2)CC1 | 10.1021/acs.jmedchem.8b00265 | ||
| 11004046 | 5422 | 0 | None | -245 | 5 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 406 | 3 | 0 | 6 | 4.1 | CCOC(=O)c1c(C)n(C)c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3 | 10.1021/jm011116o | ||
| CHEMBL107444 | 5422 | 0 | None | -245 | 5 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 406 | 3 | 0 | 6 | 4.1 | CCOC(=O)c1c(C)n(C)c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3 | 10.1021/jm011116o | ||
| 2398 | 951 | 62 | None | -2 | 29 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | nan | ||
| 2801 | 951 | 62 | None | -2 | 29 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | nan | ||
| 701 | 951 | 62 | None | -2 | 29 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | nan | ||
| CHEMBL415 | 951 | 62 | None | -2 | 29 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | nan | ||
| DB01242 | 951 | 62 | None | -2 | 29 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | nan | ||
| 155523648 | 176569 | 0 | None | -263 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 909 | 18 | 6 | 9 | 5.2 | CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4454300 | 176569 | 0 | None | -263 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 909 | 18 | 6 | 9 | 5.2 | CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4597576 | 176569 | 0 | None | -263 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 909 | 18 | 6 | 9 | 5.2 | CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| 155540315 | 172889 | 0 | None | 2 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 398 | 7 | 0 | 5 | 4.0 | COc1ccc(CCN(C(=O)OC2CCN(C)CC2)c2ccccc2)cc1OC | 10.1016/j.bmcl.2018.12.022 | ||
| CHEMBL4516350 | 172889 | 0 | None | 2 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 398 | 7 | 0 | 5 | 4.0 | COc1ccc(CCN(C(=O)OC2CCN(C)CC2)c2ccccc2)cc1OC | 10.1016/j.bmcl.2018.12.022 | ||
| 122194374 | 123982 | 0 | None | -1 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 367 | 7 | 0 | 4 | 3.8 | COc1ccc(CCC(=O)OCC2(c3ccccc3)CCN(C)CC2)cc1 | 10.1016/j.bmcl.2015.10.029 | ||
| CHEMBL3629534 | 123982 | 0 | None | -1 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 367 | 7 | 0 | 4 | 3.8 | COc1ccc(CCC(=O)OCC2(c3ccccc3)CCN(C)CC2)cc1 | 10.1016/j.bmcl.2015.10.029 | ||
| 44593621 | 193273 | 0 | None | -2 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 347 | 3 | 0 | 3 | 3.7 | CN1CCC[C@H]1[C@H]1C[S+]([O-])[C@](c2ccccc2)(C2CCCCC2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| CHEMBL524061 | 193273 | 0 | None | -2 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 347 | 3 | 0 | 3 | 3.7 | CN1CCC[C@H]1[C@H]1C[S+]([O-])[C@](c2ccccc2)(C2CCCCC2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| 137651507 | 157420 | 0 | None | -9 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 472 | 4 | 3 | 9 | 2.4 | CCOC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC)nc(C#Cc4ccc(Cl)s4)cc31)[C@H](O)[C@@H]2O | 10.1021/acs.jmedchem.7b00141 | ||
| CHEMBL4078926 | 157420 | 0 | None | -9 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 472 | 4 | 3 | 9 | 2.4 | CCOC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC)nc(C#Cc4ccc(Cl)s4)cc31)[C@H](O)[C@@H]2O | 10.1021/acs.jmedchem.7b00141 | ||
| 171578 | 12272 | 5 | None | -1 | 5 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 281 | 3 | 1 | 2 | 2.6 | C[N+](C)(C)CC#CCOC(=O)Nc1ccc(Cl)cc1 | 10.1021/jm0510878 | ||
| CHEMBL1184962 | 12272 | 5 | None | -1 | 5 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 281 | 3 | 1 | 2 | 2.6 | C[N+](C)(C)CC#CCOC(=O)Nc1ccc(Cl)cc1 | 10.1021/jm0510878 | ||
| CHEMBL380759 | 12272 | 5 | None | -1 | 5 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 281 | 3 | 1 | 2 | 2.6 | C[N+](C)(C)CC#CCOC(=O)Nc1ccc(Cl)cc1 | 10.1021/jm0510878 | ||
| 290 | 2456 | 6 | None | -12 | 7 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 316 | 3 | 1 | 2 | -0.4 | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] | 10.1021/jm800145d | ||
| 4022 | 2456 | 6 | None | -12 | 7 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 316 | 3 | 1 | 2 | -0.4 | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] | 10.1021/jm800145d | ||
| 5926 | 2456 | 6 | None | -12 | 7 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 316 | 3 | 1 | 2 | -0.4 | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] | 10.1021/jm800145d | ||
| CHEMBL40554 | 2456 | 6 | None | -12 | 7 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 316 | 3 | 1 | 2 | -0.4 | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] | 10.1021/jm800145d | ||
| CHEMBL74300 | 2456 | 6 | None | -12 | 7 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 316 | 3 | 1 | 2 | -0.4 | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] | 10.1021/jm800145d | ||
| 290 | 2456 | 6 | None | -12 | 7 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 316 | 3 | 1 | 2 | -0.4 | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] | 10.1016/j.bmc.2009.10.027 | ||
| 4022 | 2456 | 6 | None | -12 | 7 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 316 | 3 | 1 | 2 | -0.4 | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] | 10.1016/j.bmc.2009.10.027 | ||
| 5926 | 2456 | 6 | None | -12 | 7 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 316 | 3 | 1 | 2 | -0.4 | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] | 10.1016/j.bmc.2009.10.027 | ||
| CHEMBL40554 | 2456 | 6 | None | -12 | 7 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 316 | 3 | 1 | 2 | -0.4 | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] | 10.1016/j.bmc.2009.10.027 | ||
| CHEMBL74300 | 2456 | 6 | None | -12 | 7 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 316 | 3 | 1 | 2 | -0.4 | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] | 10.1016/j.bmc.2009.10.027 | ||
| 290 | 2456 | 6 | None | -12 | 7 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 316 | 3 | 1 | 2 | -0.4 | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] | 10.1016/j.bmcl.2014.06.020 | ||
| 4022 | 2456 | 6 | None | -12 | 7 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 316 | 3 | 1 | 2 | -0.4 | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] | 10.1016/j.bmcl.2014.06.020 | ||
| 5926 | 2456 | 6 | None | -12 | 7 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 316 | 3 | 1 | 2 | -0.4 | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] | 10.1016/j.bmcl.2014.06.020 | ||
| CHEMBL40554 | 2456 | 6 | None | -12 | 7 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 316 | 3 | 1 | 2 | -0.4 | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] | 10.1016/j.bmcl.2014.06.020 | ||
| CHEMBL74300 | 2456 | 6 | None | -12 | 7 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 316 | 3 | 1 | 2 | -0.4 | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] | 10.1016/j.bmcl.2014.06.020 | ||
| 11057 | 176125 | 23 | None | -1 | 20 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | nan | ||
| 3468 | 176125 | 23 | None | -1 | 20 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | nan | ||
| CHEMBL459265 | 176125 | 23 | None | -1 | 20 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | nan | ||
| CHEMBL64894 | 176125 | 23 | None | -1 | 20 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | nan | ||
| 156014820 | 178281 | 0 | None | -181 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 780 | 14 | 1 | 6 | 7.8 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL4646116 | 178281 | 0 | None | -181 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 780 | 14 | 1 | 6 | 7.8 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL4650998 | 178281 | 0 | None | -181 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 780 | 14 | 1 | 6 | 7.8 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.9b02172 | ||
| 156014820 | 178281 | 0 | None | -181 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 780 | 14 | 1 | 6 | 7.8 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1039/d0md00137f | ||
| CHEMBL4646116 | 178281 | 0 | None | -181 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 780 | 14 | 1 | 6 | 7.8 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1039/d0md00137f | ||
| CHEMBL4650998 | 178281 | 0 | None | -181 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 780 | 14 | 1 | 6 | 7.8 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1039/d0md00137f | ||
| 5282593 | 55228 | 26 | None | -2 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 275 | 3 | 1 | 4 | 1.9 | CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)C(O)c1ccccc1)C2 | nan | ||
| CHEMBL1319362 | 55228 | 26 | None | -2 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 275 | 3 | 1 | 4 | 1.9 | CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)C(O)c1ccccc1)C2 | nan | ||
| CHEMBL1618018 | 55228 | 26 | None | -2 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 275 | 3 | 1 | 4 | 1.9 | CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)C(O)c1ccccc1)C2 | nan | ||
| 9913341 | 82129 | 4 | None | -158 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 487 | 16 | 0 | 13 | 1.6 | COc1nsnc1OCCOCCOCCOCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm0301235 | ||
| CHEMBL216927 | 82129 | 4 | None | -158 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 487 | 16 | 0 | 13 | 1.6 | COc1nsnc1OCCOCCOCCOCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm0301235 | ||
| CHEMBL553058 | 82129 | 4 | None | -158 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 487 | 16 | 0 | 13 | 1.6 | COc1nsnc1OCCOCCOCCOCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm0301235 | ||
| 155566290 | 176556 | 0 | None | -4365 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 916 | 24 | 9 | 11 | 1.4 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4582879 | 176556 | 0 | None | -4365 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 916 | 24 | 9 | 11 | 1.4 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4597498 | 176556 | 0 | None | -4365 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 916 | 24 | 9 | 11 | 1.4 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 9913341 | 82129 | 4 | None | -158 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 487 | 16 | 0 | 13 | 1.6 | COc1nsnc1OCCOCCOCCOCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm0606995 | ||
| CHEMBL216927 | 82129 | 4 | None | -158 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 487 | 16 | 0 | 13 | 1.6 | COc1nsnc1OCCOCCOCCOCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm0606995 | ||
| CHEMBL553058 | 82129 | 4 | None | -158 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 487 | 16 | 0 | 13 | 1.6 | COc1nsnc1OCCOCCOCCOCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm0606995 | ||
| 60138186 | 120810 | 0 | None | -23 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 325 | 9 | 0 | 3 | 2.1 | C[N+](C)(C)CCCCCC[N+](C)(C)CC#CCOC1=NOCC1 | 10.1021/jm500790x | ||
| 60138193 | 120810 | 0 | None | -23 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 325 | 9 | 0 | 3 | 2.1 | C[N+](C)(C)CCCCCC[N+](C)(C)CC#CCOC1=NOCC1 | 10.1021/jm500790x | ||
| CHEMBL3323288 | 120810 | 0 | None | -23 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 325 | 9 | 0 | 3 | 2.1 | C[N+](C)(C)CCCCCC[N+](C)(C)CC#CCOC1=NOCC1 | 10.1021/jm500790x | ||
| CHEMBL3558240 | 120810 | 0 | None | -23 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 325 | 9 | 0 | 3 | 2.1 | C[N+](C)(C)CCCCCC[N+](C)(C)CC#CCOC1=NOCC1 | 10.1021/jm500790x | ||
| 156014875 | 178217 | 0 | None | -2 | 5 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 344 | 5 | 0 | 3 | 4.0 | C[N+](C)(C)C[C@@H]1CO[C@@H](c2ccc(Sc3ccccc3)cc2)CO1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4640846 | 178217 | 0 | None | -2 | 5 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 344 | 5 | 0 | 3 | 4.0 | C[N+](C)(C)C[C@@H]1CO[C@@H](c2ccc(Sc3ccccc3)cc2)CO1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4650577 | 178217 | 0 | None | -2 | 5 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 344 | 5 | 0 | 3 | 4.0 | C[N+](C)(C)C[C@@H]1CO[C@@H](c2ccc(Sc3ccccc3)cc2)CO1 | 10.1021/acs.jmedchem.9b02100 | ||
| 156011518 | 178314 | 0 | None | -5 | 5 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 388 | 5 | 0 | 2 | 4.8 | C[N+](C)(C)C[C@@H]1CO[C@H](c2ccccc2)C(c2ccccc2)(c2ccccc2)O1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4637731 | 178314 | 0 | None | -5 | 5 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 388 | 5 | 0 | 2 | 4.8 | C[N+](C)(C)C[C@@H]1CO[C@H](c2ccccc2)C(c2ccccc2)(c2ccccc2)O1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4651208 | 178314 | 0 | None | -5 | 5 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 388 | 5 | 0 | 2 | 4.8 | C[N+](C)(C)C[C@@H]1CO[C@H](c2ccccc2)C(c2ccccc2)(c2ccccc2)O1 | 10.1021/acs.jmedchem.9b02100 | ||
| 10109893 | 82136 | 0 | None | -14 | 5 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 373 | 13 | 1 | 9 | 0.7 | CN1CCC=C(c2nsnc2OCCOCCOCCOCCO)C1 | 10.1021/jm0606995 | ||
| CHEMBL216983 | 82136 | 0 | None | -14 | 5 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 373 | 13 | 1 | 9 | 0.7 | CN1CCC=C(c2nsnc2OCCOCCOCCOCCO)C1 | 10.1021/jm0606995 | ||
| CHEMBL544840 | 82136 | 0 | None | -14 | 5 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 373 | 13 | 1 | 9 | 0.7 | CN1CCC=C(c2nsnc2OCCOCCOCCOCCO)C1 | 10.1021/jm0606995 | ||
| 24894516 | 172684 | 0 | None | -2 | 5 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 165 | 1 | 0 | 2 | 2.4 | Cc1ccc([C@@H]2CCCN2C)o1 | 10.1021/jm800145d | ||
| CHEMBL450463 | 172684 | 0 | None | -2 | 5 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 165 | 1 | 0 | 2 | 2.4 | Cc1ccc([C@@H]2CCCN2C)o1 | 10.1021/jm800145d | ||
| 42596929 | 77159 | 0 | None | -5 | 5 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 312 | 4 | 0 | 2 | 3.1 | C[N+](C)(C)CC1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm2013216 | ||
| CHEMBL2042404 | 77159 | 0 | None | -5 | 5 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 312 | 4 | 0 | 2 | 3.1 | C[N+](C)(C)CC1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm2013216 | ||
| CHEMBL2079021 | 77159 | 0 | None | -5 | 5 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 312 | 4 | 0 | 2 | 3.1 | C[N+](C)(C)CC1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm2013216 | ||
| CHEMBL5277670 | 193919 | 0 | None | -14 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 930 | 19 | 2 | 5 | 13.0 | CN1/C(=C/C=C/C=C/C2=[N+](CCCCCC(=O)NCCCCCCN3CCC(OC(=O)Nc4ccc(F)cc4-c4ccc(F)c(Cl)c4)CC3)c3ccccc3C2(C)C)C(C)(C)c2ccccc21 | 10.1021/acs.jmedchem.2c01376 | ||
| 155536739 | 172191 | 0 | None | 1 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 384 | 5 | 0 | 4 | 4.1 | COc1ccc(COC(=O)N(c2ccccc2)C2CN3CCC2CC3)cc1F | 10.1016/j.bmcl.2018.12.022 | ||
| CHEMBL4473985 | 172191 | 0 | None | 1 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 384 | 5 | 0 | 4 | 4.1 | COc1ccc(COC(=O)N(c2ccccc2)C2CN3CCC2CC3)cc1F | 10.1016/j.bmcl.2018.12.022 | ||
| 155554149 | 175423 | 0 | None | -2 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 380 | 4 | 0 | 5 | 3.7 | O=C(OCc1ccc2c(c1)OCO2)N(c1ccccc1)C1CN2CCC1CC2 | 10.1016/j.bmcl.2018.12.022 | ||
| CHEMBL4576768 | 175423 | 0 | None | -2 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 380 | 4 | 0 | 5 | 3.7 | O=C(OCc1ccc2c(c1)OCO2)N(c1ccccc1)C1CN2CCC1CC2 | 10.1016/j.bmcl.2018.12.022 | ||
| 162645430 | 183603 | 0 | None | -15 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 860 | 15 | 2 | 7 | 8.2 | Cc1cc(/C=C/c2cc3c4c(c2)CCCN4CCC3)cc(C)[n+]1CCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)cn1 | 10.1039/d0md00137f | ||
| CHEMBL4744233 | 183603 | 0 | None | -15 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 860 | 15 | 2 | 7 | 8.2 | Cc1cc(/C=C/c2cc3c4c(c2)CCCN4CCC3)cc(C)[n+]1CCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)cn1 | 10.1039/d0md00137f | ||
| CHEMBL4802409 | 183603 | 0 | None | -15 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 860 | 15 | 2 | 7 | 8.2 | Cc1cc(/C=C/c2cc3c4c(c2)CCCN4CCC3)cc(C)[n+]1CCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)cn1 | 10.1039/d0md00137f | ||
| 49783415 | 17646 | 0 | None | -5495 | 13 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 320 | 7 | 1 | 5 | 2.9 | CCCCN1CCC(COC(=O)c2ccc(N)c(OC)c2)CC1 | 10.1021/jm100668r | ||
| CHEMBL1258452 | 17646 | 0 | None | -5495 | 13 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 320 | 7 | 1 | 5 | 2.9 | CCCCN1CCC(COC(=O)c2ccc(N)c(OC)c2)CC1 | 10.1021/jm100668r | ||
| 156015978 | 178299 | 0 | None | -190 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 1968 | 45 | 8 | 21 | 14.3 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCc3cc(C(=O)NCCNC(=O)CCc4cn(CCCCC5CCN(CC(=O)N6c7ccccc7NC(=O)c7ccccc76)CC5)cn4)cc(C(=O)NCCNC(=O)CCc4cn(CCCCC5CCN(CC(=O)N6c7ccccc7NC(=O)c7ccccc76)CC5)cn4)c3)c3ccc(S(=O)(=O)O)cc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL4636899 | 178299 | 0 | None | -190 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 1968 | 45 | 8 | 21 | 14.3 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCc3cc(C(=O)NCCNC(=O)CCc4cn(CCCCC5CCN(CC(=O)N6c7ccccc7NC(=O)c7ccccc76)CC5)cn4)cc(C(=O)NCCNC(=O)CCc4cn(CCCCC5CCN(CC(=O)N6c7ccccc7NC(=O)c7ccccc76)CC5)cn4)c3)c3ccc(S(=O)(=O)O)cc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL4651111 | 178299 | 0 | None | -190 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 1968 | 45 | 8 | 21 | 14.3 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCc3cc(C(=O)NCCNC(=O)CCc4cn(CCCCC5CCN(CC(=O)N6c7ccccc7NC(=O)c7ccccc76)CC5)cn4)cc(C(=O)NCCNC(=O)CCc4cn(CCCCC5CCN(CC(=O)N6c7ccccc7NC(=O)c7ccccc76)CC5)cn4)c3)c3ccc(S(=O)(=O)O)cc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| 44593627 | 193275 | 0 | None | -2 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 362 | 3 | 0 | 2 | 3.8 | C[N+]1(C)CCC[C@H]1[C@H]1C[S+]([O-])[C@](c2ccccc2)(C2CCCCC2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| CHEMBL524071 | 193275 | 0 | None | -2 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 362 | 3 | 0 | 2 | 3.8 | C[N+]1(C)CCC[C@H]1[C@H]1C[S+]([O-])[C@](c2ccccc2)(C2CCCCC2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| CHEMBL541671 | 193275 | 0 | None | -2 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 362 | 3 | 0 | 2 | 3.8 | C[N+]1(C)CCC[C@H]1[C@H]1C[S+]([O-])[C@](c2ccccc2)(C2CCCCC2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| 71575118 | 86181 | 0 | None | 1 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 369 | 6 | 0 | 3 | 4.6 | CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc(Cl)cc2)C1 | 10.1021/jm301774u | ||
| CHEMBL2312372 | 86181 | 0 | None | 1 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 369 | 6 | 0 | 3 | 4.6 | CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc(Cl)cc2)C1 | 10.1021/jm301774u | ||
| 44437298 | 11855 | 0 | None | -18 | 5 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 237 | 2 | 0 | 3 | 1.4 | C[N+]1(CC#CCOC2=NOCC2)CCCCC1 | 10.1016/j.bmc.2007.09.003 | ||
| CHEMBL1182460 | 11855 | 0 | None | -18 | 5 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 237 | 2 | 0 | 3 | 1.4 | C[N+]1(CC#CCOC2=NOCC2)CCCCC1 | 10.1016/j.bmc.2007.09.003 | ||
| CHEMBL239436 | 11855 | 0 | None | -18 | 5 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 237 | 2 | 0 | 3 | 1.4 | C[N+]1(CC#CCOC2=NOCC2)CCCCC1 | 10.1016/j.bmc.2007.09.003 | ||
| 71455894 | 83773 | 0 | None | -3 | 12 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 325 | 4 | 1 | 4 | 2.0 | COc1ccc(CN2C3C4C5CC6C7C5C3C7C2(O)C64)cc1OC | 10.1016/j.bmcl.2012.08.046 | ||
| CHEMBL2205827 | 83773 | 0 | None | -3 | 12 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 325 | 4 | 1 | 4 | 2.0 | COc1ccc(CN2C3C4C5CC6C7C5C3C7C2(O)C64)cc1OC | 10.1016/j.bmcl.2012.08.046 | ||
| 71455894 | 83773 | 0 | None | -3 | 12 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 325 | 4 | 1 | 4 | 2.0 | COc1ccc(CN2C3C4C5CC6C7C5C3C7C2(O)C64)cc1OC | 10.1016/j.bmc.2013.07.045 | ||
| CHEMBL2205827 | 83773 | 0 | None | -3 | 12 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 325 | 4 | 1 | 4 | 2.0 | COc1ccc(CN2C3C4C5CC6C7C5C3C7C2(O)C64)cc1OC | 10.1016/j.bmc.2013.07.045 | ||
| 11110049 | 58210 | 0 | None | 1 | 4 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 321 | 6 | 1 | 3 | 2.3 | CN(C)CCNC(=O)C1=C(Cc2ccncc2)c2ccccc2C1 | 10.1021/jm020895l | ||
| CHEMBL168223 | 58210 | 0 | None | 1 | 4 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 321 | 6 | 1 | 3 | 2.3 | CN(C)CCNC(=O)C1=C(Cc2ccncc2)c2ccccc2C1 | 10.1021/jm020895l | ||
| 92218234 | 120801 | 1 | None | -23 | 4 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 160 | 2 | 0 | 2 | 0.1 | C[N+](C)(C)C[C@@H]1COCCO1 | 10.1016/j.bmcl.2014.06.020 | ||
| CHEMBL3309718 | 120801 | 1 | None | -23 | 4 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 160 | 2 | 0 | 2 | 0.1 | C[N+](C)(C)C[C@@H]1COCCO1 | 10.1016/j.bmcl.2014.06.020 | ||
| CHEMBL3558072 | 120801 | 1 | None | -23 | 4 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 160 | 2 | 0 | 2 | 0.1 | C[N+](C)(C)C[C@@H]1COCCO1 | 10.1016/j.bmcl.2014.06.020 | ||
| 10595006 | 11413 | 0 | None | -2 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 365 | 7 | 0 | 4 | 4.0 | CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc(OC)cc2)C1 | 10.1021/jm301774u | ||
| CHEMBL1180343 | 11413 | 0 | None | -2 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 365 | 7 | 0 | 4 | 4.0 | CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc(OC)cc2)C1 | 10.1021/jm301774u | ||
| CHEMBL123099 | 11413 | 0 | None | -2 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 365 | 7 | 0 | 4 | 4.0 | CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc(OC)cc2)C1 | 10.1021/jm301774u | ||
| 73347827 | 92515 | 0 | None | -1 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 311 | 4 | 0 | 2 | 2.6 | CN(CCc1cccc(F)c1)[C@H]1C2C3CC4C2C(=O)C2C4C3C21 | 10.1016/j.bmc.2013.07.045 | ||
| CHEMBL2432052 | 92515 | 0 | None | -1 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 311 | 4 | 0 | 2 | 2.6 | CN(CCc1cccc(F)c1)[C@H]1C2C3CC4C2C(=O)C2C4C3C21 | 10.1016/j.bmc.2013.07.045 | ||
| CHEMBL1386 | 29603 | 0 | None | -7 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | None | None | None | None | nan | ||||
| 155522355 | 176385 | 0 | None | -281 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 732 | 19 | 8 | 8 | 2.3 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4451030 | 176385 | 0 | None | -281 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 732 | 19 | 8 | 8 | 2.3 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4596065 | 176385 | 0 | None | -281 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 732 | 19 | 8 | 8 | 2.3 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| 155523889 | 176500 | 0 | None | -54 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 803 | 21 | 9 | 9 | 1.8 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4454134 | 176500 | 0 | None | -54 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 803 | 21 | 9 | 9 | 1.8 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4597014 | 176500 | 0 | None | -54 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 803 | 21 | 9 | 9 | 1.8 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| 2551 | 791 | 23 | None | -204 | 11 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/j.bmc.2007.12.036 | ||
| 298 | 791 | 23 | None | -204 | 11 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/j.bmc.2007.12.036 | ||
| 488 | 791 | 23 | None | -204 | 11 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/j.bmc.2007.12.036 | ||
| CHEMBL965 | 791 | 23 | None | -204 | 11 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/j.bmc.2007.12.036 | ||
| DB00411 | 791 | 23 | None | -204 | 11 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/j.bmc.2007.12.036 | ||
| CHEMBL5289667 | 194452 | 0 | None | -70 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 959 | 21 | 2 | 5 | 13.8 | CN1/C(=C/C=C/C=C/C2=[N+](CCCCCC(=O)NCCCCCCCCN3CCC(OC(=O)Nc4ccc(F)cc4-c4ccc(F)c(Cl)c4)CC3)c3ccccc3C2(C)C)C(C)(C)c2ccccc21 | 10.1021/acs.jmedchem.2c01376 | ||
| 154059 | 3610 | 51 | None | -3 | 8 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 362 | 2 | 0 | 3 | 3.9 | O=C(N1CCc2c([C@@H]1c1ccccc1)cccc2)O[C@H]1CN2CCC1CC2 | 10.1016/j.ejmech.2017.06.004 | ||
| 2457 | 3610 | 51 | None | -3 | 8 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 362 | 2 | 0 | 3 | 3.9 | O=C(N1CCc2c([C@@H]1c1ccccc1)cccc2)O[C@H]1CN2CCC1CC2 | 10.1016/j.ejmech.2017.06.004 | ||
| 7483 | 3610 | 51 | None | -3 | 8 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 362 | 2 | 0 | 3 | 3.9 | O=C(N1CCc2c([C@@H]1c1ccccc1)cccc2)O[C@H]1CN2CCC1CC2 | 10.1016/j.ejmech.2017.06.004 | ||
| CHEMBL1734 | 3610 | 51 | None | -3 | 8 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 362 | 2 | 0 | 3 | 3.9 | O=C(N1CCc2c([C@@H]1c1ccccc1)cccc2)O[C@H]1CN2CCC1CC2 | 10.1016/j.ejmech.2017.06.004 | ||
| DB01591 | 3610 | 51 | None | -3 | 8 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 362 | 2 | 0 | 3 | 3.9 | O=C(N1CCc2c([C@@H]1c1ccccc1)cccc2)O[C@H]1CN2CCC1CC2 | 10.1016/j.ejmech.2017.06.004 | ||
| 2551 | 791 | 23 | None | -204 | 11 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm020572p | ||
| 298 | 791 | 23 | None | -204 | 11 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm020572p | ||
| 488 | 791 | 23 | None | -204 | 11 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm020572p | ||
| CHEMBL965 | 791 | 23 | None | -204 | 11 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm020572p | ||
| DB00411 | 791 | 23 | None | -204 | 11 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm020572p | ||
| 122194380 | 123985 | 0 | None | -1 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 381 | 7 | 2 | 3 | 3.2 | COc1ccc(CCNC(=O)NCC2(c3ccccc3)CCN(C)CC2)cc1 | 10.1016/j.bmcl.2015.10.029 | ||
| CHEMBL3629539 | 123985 | 0 | None | -1 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 381 | 7 | 2 | 3 | 3.2 | COc1ccc(CCNC(=O)NCC2(c3ccccc3)CCN(C)CC2)cc1 | 10.1016/j.bmcl.2015.10.029 | ||
| 57339144 | 92209 | 78 | None | -58 | 6 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 529 | 6 | 1 | 5 | 4.8 | O=C(c1ccc(C(=O)N2CCC(N3CCCC3)CC2)c(Nc2ccccc2)c1)N1CCC(N2CCCC2)CC1 | 10.6019/CHEMBL5212743 | ||
| CHEMBL2426364 | 92209 | 78 | None | -58 | 6 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 529 | 6 | 1 | 5 | 4.8 | O=C(c1ccc(C(=O)N2CCC(N3CCCC3)CC2)c(Nc2ccccc2)c1)N1CCC(N2CCCC2)CC1 | 10.6019/CHEMBL5212743 | ||
| 9906447 | 195554 | 2 | None | -602 | 13 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 351 | 5 | 0 | 3 | 4.8 | C[C@@H]1CCCN1CCc1cc2cc(C(=O)c3ccc(F)cc3)ccc2o1 | 10.1021/jm201690h | ||
| CHEMBL2031738 | 195554 | 2 | None | -602 | 13 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 351 | 5 | 0 | 3 | 4.8 | C[C@@H]1CCCN1CCc1cc2cc(C(=O)c3ccc(F)cc3)ccc2o1 | 10.1021/jm201690h | ||
| CHEMBL555146 | 195554 | 2 | None | -602 | 13 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 351 | 5 | 0 | 3 | 4.8 | C[C@@H]1CCCN1CCc1cc2cc(C(=O)c3ccc(F)cc3)ccc2o1 | 10.1021/jm201690h | ||
| 71575120 | 86183 | 0 | None | 1 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 380 | 7 | 0 | 5 | 3.9 | CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc([N+](=O)[O-])cc2)C1 | 10.1021/jm301774u | ||
| CHEMBL2312374 | 86183 | 0 | None | 1 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 380 | 7 | 0 | 5 | 3.9 | CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc([N+](=O)[O-])cc2)C1 | 10.1021/jm301774u | ||
| 44422699 | 11819 | 0 | None | -6 | 4 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 174 | 2 | 0 | 2 | 0.5 | C[C@@H]1COC[C@H](C[N+](C)(C)C)O1 | 10.1016/j.bmcl.2007.11.073 | ||
| CHEMBL1182272 | 11819 | 0 | None | -6 | 4 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 174 | 2 | 0 | 2 | 0.5 | C[C@@H]1COC[C@H](C[N+](C)(C)C)O1 | 10.1016/j.bmcl.2007.11.073 | ||
| CHEMBL227378 | 11819 | 0 | None | -6 | 4 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 174 | 2 | 0 | 2 | 0.5 | C[C@@H]1COC[C@H](C[N+](C)(C)C)O1 | 10.1016/j.bmcl.2007.11.073 | ||
| 24894631 | 176740 | 3 | None | -1 | 5 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 151 | 1 | 0 | 2 | 2.0 | CN1CCCC1c1ccco1 | 10.1021/jm800145d | ||
| CHEMBL460470 | 176740 | 3 | None | -1 | 5 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 151 | 1 | 0 | 2 | 2.0 | CN1CCCC1c1ccco1 | 10.1021/jm800145d | ||
| 155510347 | 174687 | 0 | None | -1 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 398 | 7 | 0 | 5 | 4.0 | COc1ccc(CCN(C(=O)OC2CCCN(C)C2)c2ccccc2)cc1OC | 10.1016/j.bmcl.2018.12.022 | ||
| CHEMBL4559952 | 174687 | 0 | None | -1 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 398 | 7 | 0 | 5 | 4.0 | COc1ccc(CCN(C(=O)OC2CCCN(C)C2)c2ccccc2)cc1OC | 10.1016/j.bmcl.2018.12.022 | ||
| 145961161 | 161582 | 0 | None | -5 | 5 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 379 | 5 | 0 | 4 | 3.5 | c1ccc(C2(c3ccccc3)COC[C@H](CO[C@H]3CN4CCC3CC4)O2)cc1 | 10.1016/j.ejmech.2017.06.004 | ||
| CHEMBL4129580 | 161582 | 0 | None | -5 | 5 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 379 | 5 | 0 | 4 | 3.5 | c1ccc(C2(c3ccccc3)COC[C@H](CO[C@H]3CN4CCC3CC4)O2)cc1 | 10.1016/j.ejmech.2017.06.004 | ||
| 289 | 242 | 12 | None | -407 | 14 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 301 | 8 | 0 | 2 | 4.9 | CCCCC1CCN(CC1)CCCC(=O)c1ccccc1C | 10.1021/jm100697g | ||
| 9948320 | 242 | 12 | None | -407 | 14 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 301 | 8 | 0 | 2 | 4.9 | CCCCC1CCN(CC1)CCCC(=O)c1ccccc1C | 10.1021/jm100697g | ||
| CHEMBL1242950 | 242 | 12 | None | -407 | 14 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 301 | 8 | 0 | 2 | 4.9 | CCCCC1CCN(CC1)CCCC(=O)c1ccccc1C | 10.1021/jm100697g | ||
| 6726 | 1269 | 51 | None | -9 | 13 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
| 7151 | 1269 | 51 | None | -9 | 13 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
| 749 | 1269 | 51 | None | -9 | 13 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
| CHEMBL648 | 1269 | 51 | None | -9 | 13 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
| DB01176 | 1269 | 51 | None | -9 | 13 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
| 155554568 | 176585 | 0 | None | -1071 | 5 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 702 | 14 | 4 | 8 | 2.6 | CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4548432 | 176585 | 0 | None | -1071 | 5 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 702 | 14 | 4 | 8 | 2.6 | CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4597724 | 176585 | 0 | None | -1071 | 5 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 702 | 14 | 4 | 8 | 2.6 | CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| 118719926 | 115754 | 0 | None | -1047 | 8 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 358 | 9 | 1 | 3 | 3.6 | O=C1CCc2ccccc2N1CCCN1CCC(CCCCCO)CC1 | 10.1021/jm501173q | ||
| CHEMBL3354073 | 115754 | 0 | None | -1047 | 8 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 358 | 9 | 1 | 3 | 3.6 | O=C1CCc2ccccc2N1CCCN1CCC(CCCCCO)CC1 | 10.1021/jm501173q | ||
| 24865895 | 95976 | 0 | None | -1 | 5 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 174 | 2 | 0 | 2 | 0.5 | C[C@H]1COC[C@@H](C[N+](C)(C)C)O1 | 10.1016/j.bmcl.2007.11.073 | ||
| CHEMBL259662 | 95976 | 0 | None | -1 | 5 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 174 | 2 | 0 | 2 | 0.5 | C[C@H]1COC[C@@H](C[N+](C)(C)C)O1 | 10.1016/j.bmcl.2007.11.073 | ||
| CHEMBL390842 | 95976 | 0 | None | -1 | 5 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 174 | 2 | 0 | 2 | 0.5 | C[C@H]1COC[C@@H](C[N+](C)(C)C)O1 | 10.1016/j.bmcl.2007.11.073 | ||
| 156016047 | 178236 | 0 | None | -3 | 5 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 312 | 4 | 0 | 2 | 3.6 | C[N+](C)(C)C[C@@H]1CO[C@@H](c2ccccc2)[C@H](c2ccccc2)O1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4647816 | 178236 | 0 | None | -3 | 5 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 312 | 4 | 0 | 2 | 3.6 | C[N+](C)(C)C[C@@H]1CO[C@@H](c2ccccc2)[C@H](c2ccccc2)O1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4650722 | 178236 | 0 | None | -3 | 5 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 312 | 4 | 0 | 2 | 3.6 | C[N+](C)(C)C[C@@H]1CO[C@@H](c2ccccc2)[C@H](c2ccccc2)O1 | 10.1021/acs.jmedchem.9b02100 | ||
| 10870954 | 120284 | 0 | None | -3 | 5 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 321 | 6 | 1 | 3 | 2.3 | CN(C)CCNC(=O)C1=C(Cc2ccccn2)c2ccccc2C1 | 10.1021/jm020895l | ||
| CHEMBL352779 | 120284 | 0 | None | -3 | 5 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 321 | 6 | 1 | 3 | 2.3 | CN(C)CCNC(=O)C1=C(Cc2ccccn2)c2ccccc2C1 | 10.1021/jm020895l | ||
| 2284 | 3160 | 33 | None | -7 | 29 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | ||
| 4926 | 3160 | 33 | None | -7 | 29 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | ||
| 7281 | 3160 | 33 | None | -7 | 29 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | ||
| CHEMBL564 | 3160 | 33 | None | -7 | 29 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | ||
| DB00420 | 3160 | 33 | None | -7 | 29 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | ||
| 44627855 | 197348 | 0 | None | -2 | 5 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 339 | 4 | 1 | 3 | 4.9 | CN1CCC[C@@H]1c1ccc([C@@](O)(c2ccccc2)C2CCCCC2)o1 | 10.1021/jm901048j | ||
| CHEMBL569212 | 197348 | 0 | None | -2 | 5 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 339 | 4 | 1 | 3 | 4.9 | CN1CCC[C@@H]1c1ccc([C@@](O)(c2ccccc2)C2CCCCC2)o1 | 10.1021/jm901048j | ||
| 145960427 | 161426 | 0 | None | -3 | 5 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 407 | 4 | 0 | 5 | 3.4 | C[C@@]1(C(=O)O[C@H]2CN3CCC2CC3)COCC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.ejmech.2017.06.004 | ||
| CHEMBL4127428 | 161426 | 0 | None | -3 | 5 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 407 | 4 | 0 | 5 | 3.4 | C[C@@]1(C(=O)O[C@H]2CN3CCC2CC3)COCC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.ejmech.2017.06.004 | ||
| 24894630 | 188945 | 0 | None | -2 | 5 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 180 | 1 | 0 | 1 | 2.5 | Cc1ccc(C2CCC[N+]2(C)C)o1 | 10.1021/jm800145d | ||
| CHEMBL508347 | 188945 | 0 | None | -2 | 5 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 180 | 1 | 0 | 1 | 2.5 | Cc1ccc(C2CCC[N+]2(C)C)o1 | 10.1021/jm800145d | ||
| CHEMBL555475 | 188945 | 0 | None | -2 | 5 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 180 | 1 | 0 | 1 | 2.5 | Cc1ccc(C2CCC[N+]2(C)C)o1 | 10.1021/jm800145d | ||
| 156015971 | 178258 | 0 | None | -3 | 5 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 318 | 4 | 0 | 2 | 3.6 | C[N+](C)(C)C[C@@H]1CO[C@](c2ccccc2)(C2CCCCC2)CO1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4648444 | 178258 | 0 | None | -3 | 5 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 318 | 4 | 0 | 2 | 3.6 | C[N+](C)(C)C[C@@H]1CO[C@](c2ccccc2)(C2CCCCC2)CO1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4650880 | 178258 | 0 | None | -3 | 5 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 318 | 4 | 0 | 2 | 3.6 | C[N+](C)(C)C[C@@H]1CO[C@](c2ccccc2)(C2CCCCC2)CO1 | 10.1021/acs.jmedchem.9b02100 | ||
| 155516095 | 170032 | 0 | None | 1 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 366 | 5 | 0 | 4 | 3.9 | COc1ccc(COC(=O)N(c2ccccc2)C2CN3CCC2CC3)cc1 | 10.1016/j.bmcl.2018.12.022 | ||
| CHEMBL4442996 | 170032 | 0 | None | 1 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 366 | 5 | 0 | 4 | 3.9 | COc1ccc(COC(=O)N(c2ccccc2)C2CN3CCC2CC3)cc1 | 10.1016/j.bmcl.2018.12.022 | ||
| 71575027 | 86194 | 0 | None | 4 | 5 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 379 | 8 | 0 | 4 | 4.4 | CCN1CCC(c2ccccc2)=C(C(=O)OCCCc2ccc(OC)cc2)C1 | 10.1021/jm301774u | ||
| CHEMBL2312389 | 86194 | 0 | None | 4 | 5 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 379 | 8 | 0 | 4 | 4.4 | CCN1CCC(c2ccccc2)=C(C(=O)OCCCc2ccc(OC)cc2)C1 | 10.1021/jm301774u | ||
| 10951142 | 5190 | 0 | None | -9 | 5 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 496 | 6 | 0 | 6 | 5.9 | CCOC(=O)c1c(CC)n(Cc2ccccc2)c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3 | 10.1021/jm011116o | ||
| CHEMBL106219 | 5190 | 0 | None | -9 | 5 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 496 | 6 | 0 | 6 | 5.9 | CCOC(=O)c1c(CC)n(Cc2ccccc2)c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3 | 10.1021/jm011116o | ||
| 164617938 | 188502 | 0 | None | -33 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 902 | 21 | 9 | 12 | 0.2 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(C(=O)CCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4854179 | 188502 | 0 | None | -33 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 902 | 21 | 9 | 12 | 0.2 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(C(=O)CCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028470 | 188502 | 0 | None | -33 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 902 | 21 | 9 | 12 | 0.2 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(C(=O)CCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 10916286 | 5070 | 0 | None | -2 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 396 | 2 | 1 | 4 | 4.8 | CCOC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2cccc(Cl)c2C1O3 | 10.1021/jm011116o | ||
| CHEMBL105593 | 5070 | 0 | None | -2 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 396 | 2 | 1 | 4 | 4.8 | CCOC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2cccc(Cl)c2C1O3 | 10.1021/jm011116o | ||
| 7022778 | 172759 | 11 | None | -1 | 3 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 137 | 1 | 1 | 2 | 1.7 | c1coc([C@@H]2CCCN2)c1 | 10.1021/jm800145d | ||
| CHEMBL451335 | 172759 | 11 | None | -1 | 3 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 137 | 1 | 1 | 2 | 1.7 | c1coc([C@@H]2CCCN2)c1 | 10.1021/jm800145d | ||
| 118719931 | 115759 | 0 | None | -1 | 5 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 669 | 18 | 0 | 4 | 8.7 | O=C1CCc2ccccc2N1CCCN1CCC(CCCCCCCCCC2CCN(CCCN3C(=O)CCc4ccccc43)CC2)CC1 | 10.1021/jm501173q | ||
| CHEMBL3354078 | 115759 | 0 | None | -1 | 5 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 669 | 18 | 0 | 4 | 8.7 | O=C1CCc2ccccc2N1CCCN1CCC(CCCCCCCCCC2CCN(CCCN3C(=O)CCc4ccccc43)CC2)CC1 | 10.1021/jm501173q | ||
| 324 | 1912 | 15 | None | -138 | 9 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 345 | 2 | 0 | 3 | 4.4 | C[C@@H]1OC(=O)[C@@H]2[C@H]1[C@H](/C=C/[C@H]1CCC[C@@H](N1C)C)[C@H]1CCCC[C@@H]1C2 | 10.1016/s0960-894x(01)00186-x | ||
| 6436265 | 1912 | 15 | None | -138 | 9 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 345 | 2 | 0 | 3 | 4.4 | C[C@@H]1OC(=O)[C@@H]2[C@H]1[C@H](/C=C/[C@H]1CCC[C@@H](N1C)C)[C@H]1CCCC[C@@H]1C2 | 10.1016/s0960-894x(01)00186-x | ||
| CHEMBL277642 | 1912 | 15 | None | -138 | 9 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 345 | 2 | 0 | 3 | 4.4 | C[C@@H]1OC(=O)[C@@H]2[C@H]1[C@H](/C=C/[C@H]1CCC[C@@H](N1C)C)[C@H]1CCCC[C@@H]1C2 | 10.1016/s0960-894x(01)00186-x | ||
| 164620907 | 188524 | 0 | None | -5888 | 5 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 917 | 22 | 10 | 13 | -0.9 | CC(=O)N[C@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CCC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4865939 | 188524 | 0 | None | -5888 | 5 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 917 | 22 | 10 | 13 | -0.9 | CC(=O)N[C@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CCC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028619 | 188524 | 0 | None | -5888 | 5 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 917 | 22 | 10 | 13 | -0.9 | CC(=O)N[C@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CCC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 56965018 | 77152 | 0 | None | -2 | 5 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 297 | 4 | 0 | 3 | 2.9 | CN(C)CC1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm2013216 | ||
| CHEMBL2042552 | 77152 | 0 | None | -2 | 5 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 297 | 4 | 0 | 3 | 2.9 | CN(C)CC1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm2013216 | ||
| CHEMBL2078967 | 77152 | 0 | None | -2 | 5 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 297 | 4 | 0 | 3 | 2.9 | CN(C)CC1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm2013216 | ||
| 118710670 | 120807 | 0 | None | 1 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 697 | 15 | 1 | 6 | 5.5 | CC(C)(CN1C(=O)c2cccc3cccc(c23)C1=O)C[N+](C)(C)CCCCCC[N+]1(C)[C@H]2C[C@@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21 | 10.1021/jm500790x | ||
| CHEMBL3323284 | 120807 | 0 | None | 1 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 697 | 15 | 1 | 6 | 5.5 | CC(C)(CN1C(=O)c2cccc3cccc(c23)C1=O)C[N+](C)(C)CCCCCC[N+]1(C)[C@H]2C[C@@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21 | 10.1021/jm500790x | ||
| CHEMBL3558233 | 120807 | 0 | None | 1 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 697 | 15 | 1 | 6 | 5.5 | CC(C)(CN1C(=O)c2cccc3cccc(c23)C1=O)C[N+](C)(C)CCCCCC[N+]1(C)[C@H]2C[C@@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21 | 10.1021/jm500790x | ||
| CHEMBL5271406 | 193657 | 0 | None | -6 | 5 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 1159 | 27 | 3 | 10 | 12.8 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCS(=O)(=O)O)c3ccccc3C2(C)C)=[N+](CCCCCC(=O)NCCCCCCCCN2CCC(OC(=O)Nc3ccc(F)cc3-c3ccc(F)c(Cl)c3)CC2)c2ccc(S(=O)(=O)[O-])cc21 | 10.1021/acs.jmedchem.2c01376 | ||
| 16115950 | 136357 | 0 | None | -1 | 5 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 325 | 3 | 0 | 3 | 4.1 | CN1CCC[C@H]1[C@H]1CSC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm061374r | ||
| CHEMBL373515 | 136357 | 0 | None | -1 | 5 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 325 | 3 | 0 | 3 | 4.1 | CN1CCC[C@H]1[C@H]1CSC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm061374r | ||
| 118719921 | 115748 | 0 | None | -1 | 5 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 537 | 12 | 0 | 7 | 5.3 | CN1CCC=C(c2nsnc2OCCCCCC2CCN(CCCN3C(=O)CCc4ccccc43)CC2)C1 | 10.1021/jm501173q | ||
| CHEMBL3354067 | 115748 | 0 | None | -1 | 5 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 537 | 12 | 0 | 7 | 5.3 | CN1CCC=C(c2nsnc2OCCCCCC2CCN(CCCN3C(=O)CCc4ccccc43)CC2)C1 | 10.1021/jm501173q | ||
| 180 | 400 | 56 | None | -23 | 40 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | ||
| 200 | 400 | 56 | None | -23 | 40 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | ||
| 2160 | 400 | 56 | None | -23 | 40 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | ||
| CHEMBL629 | 400 | 56 | None | -23 | 40 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | ||
| DB00321 | 400 | 56 | None | -23 | 40 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | ||
| 155528270 | 176367 | 0 | None | -41 | 5 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 732 | 19 | 8 | 8 | 2.3 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4461081 | 176367 | 0 | None | -41 | 5 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 732 | 19 | 8 | 8 | 2.3 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4595943 | 176367 | 0 | None | -41 | 5 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 732 | 19 | 8 | 8 | 2.3 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| 11092603 | 4829 | 0 | None | -6 | 5 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 524 | 7 | 0 | 7 | 5.8 | C=CCOC(=O)c1c(C)n(Cc2ccc(OC)cc2)c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3 | 10.1021/jm011116o | ||
| CHEMBL104332 | 4829 | 0 | None | -6 | 5 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 524 | 7 | 0 | 7 | 5.8 | C=CCOC(=O)c1c(C)n(Cc2ccc(OC)cc2)c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3 | 10.1021/jm011116o | ||
| 71575553 | 86166 | 0 | None | 4 | 2 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 371 | 5 | 0 | 3 | 4.7 | CN1CCC(c2ccccc2)=C(C(=O)OCCc2cccc3ccccc23)C1 | 10.1021/jm301774u | ||
| CHEMBL2312347 | 86166 | 0 | None | 4 | 2 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 371 | 5 | 0 | 3 | 4.7 | CN1CCC(c2ccccc2)=C(C(=O)OCCc2cccc3ccccc23)C1 | 10.1021/jm301774u | ||
| 2247 | 504 | 81 | None | -32 | 42 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | ||
| 249 | 504 | 81 | None | -32 | 42 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | ||
| 2603 | 504 | 81 | None | -32 | 42 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | ||
| CHEMBL296419 | 504 | 81 | None | -32 | 42 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | ||
| DB00637 | 504 | 81 | None | -32 | 42 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | ||
| 135409468 | 2022 | 69 | None | -15 | 40 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 312 | 1 | 2 | 4 | 1.7 | Clc1ccc2c(c1)NC(=c1c(=N2)cccc1)N1CCNCC1 | 10.1021/jm100697g | ||
| 333 | 2022 | 69 | None | -15 | 40 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 312 | 1 | 2 | 4 | 1.7 | Clc1ccc2c(c1)NC(=c1c(=N2)cccc1)N1CCNCC1 | 10.1021/jm100697g | ||
| CHEMBL845 | 2022 | 69 | None | -15 | 40 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 312 | 1 | 2 | 4 | 1.7 | Clc1ccc2c(c1)NC(=c1c(=N2)cccc1)N1CCNCC1 | 10.1021/jm100697g | ||
| 15065550 | 205094 | 2 | None | 1 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 217 | 2 | 0 | 3 | 0.8 | Cc1nccn1CC#CCN1CCCC1=O | 10.1016/j.bmc.2007.12.036 | ||
| CHEMBL77793 | 205094 | 2 | None | 1 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 217 | 2 | 0 | 3 | 0.8 | Cc1nccn1CC#CCN1CCCC1=O | 10.1016/j.bmc.2007.12.036 | ||
| 10262466 | 98316 | 0 | None | -7 | 5 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 208 | 2 | 0 | 3 | 0.3 | O=C1CCON1CC#CCN1CCCC1 | 10.1016/j.bmc.2007.09.003 | ||
| CHEMBL275104 | 98316 | 0 | None | -7 | 5 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 208 | 2 | 0 | 3 | 0.3 | O=C1CCON1CC#CCN1CCCC1 | 10.1016/j.bmc.2007.09.003 | ||
| 44593617 | 187407 | 0 | None | -2 | 5 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 341 | 3 | 0 | 3 | 3.1 | CN1CCC[C@H]1[C@H]1C[S+]([O-])C(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| CHEMBL493795 | 187407 | 0 | None | -2 | 5 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 341 | 3 | 0 | 3 | 3.1 | CN1CCC[C@H]1[C@H]1C[S+]([O-])C(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| 10066369 | 120232 | 0 | None | -60 | 6 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 348 | 7 | 0 | 2 | 5.7 | CC(C1=C(CCN(C(C)C)C(C)C)Cc2ccccc21)c1ccccn1 | 10.1021/jm020895l | ||
| CHEMBL352375 | 120232 | 0 | None | -60 | 6 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 348 | 7 | 0 | 2 | 5.7 | CC(C1=C(CCN(C(C)C)C(C)C)Cc2ccccc21)c1ccccn1 | 10.1021/jm020895l | ||
| 164620270 | 188518 | 0 | None | -4365 | 5 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 903 | 21 | 10 | 13 | -1.3 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCNC(=N)N)NCCN1CCN(CCC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4869723 | 188518 | 0 | None | -4365 | 5 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 903 | 21 | 10 | 13 | -1.3 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCNC(=N)N)NCCN1CCN(CCC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028587 | 188518 | 0 | None | -4365 | 5 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 903 | 21 | 10 | 13 | -1.3 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCNC(=N)N)NCCN1CCN(CCC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 21509921 | 104431 | 0 | None | -501 | 24 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 288 | 0 | 0 | 2 | 3.7 | CN1CCc2c(c3cccc4c3n2-c2ccccc2CC4)C1 | 10.1016/j.bmcl.2013.12.024 | ||
| CHEMBL3104091 | 104431 | 0 | None | -501 | 24 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 288 | 0 | 0 | 2 | 3.7 | CN1CCc2c(c3cccc4c3n2-c2ccccc2CC4)C1 | 10.1016/j.bmcl.2013.12.024 | ||
| 44437295 | 11861 | 0 | None | -5 | 5 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 222 | 2 | 0 | 4 | 1.2 | C(#CCN1CCCCC1)COC1=NOCC1 | 10.1016/j.bmc.2007.09.003 | ||
| CHEMBL1182472 | 11861 | 0 | None | -5 | 5 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 222 | 2 | 0 | 4 | 1.2 | C(#CCN1CCCCC1)COC1=NOCC1 | 10.1016/j.bmc.2007.09.003 | ||
| CHEMBL239866 | 11861 | 0 | None | -5 | 5 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 222 | 2 | 0 | 4 | 1.2 | C(#CCN1CCCCC1)COC1=NOCC1 | 10.1016/j.bmc.2007.09.003 | ||
| 21509921 | 104431 | 0 | None | -501 | 24 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 288 | 0 | 0 | 2 | 3.7 | CN1CCc2c(c3cccc4c3n2-c2ccccc2CC4)C1 | 10.1016/j.bmcl.2013.12.024 | ||
| CHEMBL3104091 | 104431 | 0 | None | -501 | 24 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 288 | 0 | 0 | 2 | 3.7 | CN1CCc2c(c3cccc4c3n2-c2ccccc2CC4)C1 | 10.1016/j.bmcl.2013.12.024 | ||
| 11184481 | 201405 | 15 | None | -1 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 258 | 1 | 0 | 5 | 1.8 | Cc1ccc2oc(N3CCN4CCC3CC4)nc2n1 | 10.1021/jm9015075 | ||
| CHEMBL604798 | 201405 | 15 | None | -1 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 258 | 1 | 0 | 5 | 1.8 | Cc1ccc2oc(N3CCN4CCC3CC4)nc2n1 | 10.1021/jm9015075 | ||
| CHEMBL4520788 | 213952 | 10 | None | -24 | 25 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | None | None | None | CNCc1ccccc1-c1csc([C@H](C)Nc2nc(C)nc3cc(OC)c(OC)cc23)c1 | 10.6019/CHEMBL5212743 | ||||
| 164619973 | 188517 | 0 | None | -1584 | 5 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 902 | 23 | 9 | 12 | 1.0 | CC(=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4862996 | 188517 | 0 | None | -1584 | 5 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 902 | 23 | 9 | 12 | 1.0 | CC(=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028571 | 188517 | 0 | None | -1584 | 5 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 902 | 23 | 9 | 12 | 1.0 | CC(=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 44593619 | 187436 | 0 | None | -2 | 5 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 347 | 3 | 0 | 3 | 3.7 | CN1CCC[C@H]1[C@H]1C[S+]([O-])[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| CHEMBL493980 | 187436 | 0 | None | -2 | 5 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 347 | 3 | 0 | 3 | 3.7 | CN1CCC[C@H]1[C@H]1C[S+]([O-])[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| 44274417 | 98866 | 0 | None | -5 | 5 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 333 | 5 | 0 | 3 | 3.0 | CN(C)CCN(C)C(=O)C1=C/C(=C\c2ccccn2)c2ccccc21 | 10.1016/s0960-894x(01)00186-x | ||
| CHEMBL279225 | 98866 | 0 | None | -5 | 5 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 333 | 5 | 0 | 3 | 3.0 | CN(C)CCN(C)C(=O)C1=C/C(=C\c2ccccn2)c2ccccc21 | 10.1016/s0960-894x(01)00186-x | ||
| 11819782 | 95857 | 0 | None | -10 | 3 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 186 | 1 | 0 | 2 | 1.0 | C[C@H]1OC[C@@H]([C@H]2CCC[N+]2(C)C)O1 | 10.1016/j.bmc.2007.12.036 | ||
| CHEMBL259131 | 95857 | 0 | None | -10 | 3 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 186 | 1 | 0 | 2 | 1.0 | C[C@H]1OC[C@@H]([C@H]2CCC[N+]2(C)C)O1 | 10.1016/j.bmc.2007.12.036 | ||
| 46227461 | 14104 | 0 | None | -1 | 5 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 202 | 2 | 0 | 2 | 1.3 | C[C@@H]1O[C@H](C[N+](C)(C)C)COC1(C)C | 10.1016/j.bmc.2009.10.027 | ||
| CHEMBL1198077 | 14104 | 0 | None | -1 | 5 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 202 | 2 | 0 | 2 | 1.3 | C[C@@H]1O[C@H](C[N+](C)(C)C)COC1(C)C | 10.1016/j.bmc.2009.10.027 | ||
| CHEMBL594803 | 14104 | 0 | None | -1 | 5 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 202 | 2 | 0 | 2 | 1.3 | C[C@@H]1O[C@H](C[N+](C)(C)C)COC1(C)C | 10.1016/j.bmc.2009.10.027 | ||
| 119357 | 303 | 49 | None | -131 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 478 | 9 | 2 | 5 | 4.5 | CCCN(CC1CCCCN1CCNC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CCC | 10.1016/s0960-894x(01)00186-x | ||
| 3264 | 303 | 49 | None | -131 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 478 | 9 | 2 | 5 | 4.5 | CCCN(CC1CCCCN1CCNC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CCC | 10.1016/s0960-894x(01)00186-x | ||
| 368 | 303 | 49 | None | -131 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 478 | 9 | 2 | 5 | 4.5 | CCCN(CC1CCCCN1CCNC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CCC | 10.1016/s0960-894x(01)00186-x | ||
| CHEMBL279453 | 303 | 49 | None | -131 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 478 | 9 | 2 | 5 | 4.5 | CCCN(CC1CCCCN1CCNC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CCC | 10.1016/s0960-894x(01)00186-x | ||
| 119357 | 303 | 49 | None | -131 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 478 | 9 | 2 | 5 | 4.5 | CCCN(CC1CCCCN1CCNC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CCC | 10.1021/acs.jmedchem.8b01967 | ||
| 3264 | 303 | 49 | None | -131 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 478 | 9 | 2 | 5 | 4.5 | CCCN(CC1CCCCN1CCNC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CCC | 10.1021/acs.jmedchem.8b01967 | ||
| 368 | 303 | 49 | None | -131 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 478 | 9 | 2 | 5 | 4.5 | CCCN(CC1CCCCN1CCNC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CCC | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL279453 | 303 | 49 | None | -131 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 478 | 9 | 2 | 5 | 4.5 | CCCN(CC1CCCCN1CCNC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CCC | 10.1021/acs.jmedchem.8b01967 | ||
| 10236758 | 115746 | 5 | None | -5495 | 13 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 328 | 7 | 0 | 2 | 4.3 | CCCCC1CCN(CCCN2C(=O)CCc3ccccc32)CC1 | 10.1021/jm501173q | ||
| CHEMBL3354065 | 115746 | 5 | None | -5495 | 13 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 328 | 7 | 0 | 2 | 4.3 | CCCCC1CCN(CCCN2C(=O)CCc3ccccc32)CC1 | 10.1021/jm501173q | ||
| 10114698 | 4801 | 0 | None | -489 | 5 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 448 | 7 | 1 | 5 | 5.5 | CCCCCc1[nH]c2ccc3c(c2c1C(=O)OCC)CN1CCc2cc(OC)ccc2C1O3 | 10.1021/jm011116o | ||
| CHEMBL104210 | 4801 | 0 | None | -489 | 5 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 448 | 7 | 1 | 5 | 5.5 | CCCCCc1[nH]c2ccc3c(c2c1C(=O)OCC)CN1CCc2cc(OC)ccc2C1O3 | 10.1021/jm011116o | ||
| 11101362 | 5093 | 0 | None | -14 | 5 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 396 | 2 | 1 | 4 | 4.8 | CCOC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2cc(Cl)ccc2C1O3 | 10.1021/jm011116o | ||
| CHEMBL105674 | 5093 | 0 | None | -14 | 5 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 396 | 2 | 1 | 4 | 4.8 | CCOC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2cc(Cl)ccc2C1O3 | 10.1021/jm011116o | ||
| 44274432 | 80098 | 0 | None | -3 | 5 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 333 | 5 | 0 | 3 | 3.0 | CN(C)CCN(C)C(=O)C1=C/C(=C\c2cccnc2)c2ccccc21 | 10.1016/s0960-894x(01)00186-x | ||
| CHEMBL21328 | 80098 | 0 | None | -3 | 5 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 333 | 5 | 0 | 3 | 3.0 | CN(C)CCN(C)C(=O)C1=C/C(=C\c2cccnc2)c2ccccc21 | 10.1016/s0960-894x(01)00186-x | ||
| 44274433 | 99482 | 0 | None | -3 | 5 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 319 | 5 | 1 | 3 | 2.7 | CN(C)CCNC(=O)C1=C/C(=C\c2ccncc2)c2ccccc21 | 10.1016/s0960-894x(01)00186-x | ||
| CHEMBL283320 | 99482 | 0 | None | -3 | 5 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 319 | 5 | 1 | 3 | 2.7 | CN(C)CCNC(=O)C1=C/C(=C\c2ccncc2)c2ccccc21 | 10.1016/s0960-894x(01)00186-x | ||
| 44627742 | 198354 | 0 | None | -4 | 5 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 323 | 4 | 0 | 2 | 5.8 | CN1CCCC1c1ccc(C(c2ccccc2)C2CCCCC2)o1 | 10.1021/jm901048j | ||
| CHEMBL576707 | 198354 | 0 | None | -4 | 5 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 323 | 4 | 0 | 2 | 5.8 | CN1CCCC1c1ccc(C(c2ccccc2)C2CCCCC2)o1 | 10.1021/jm901048j | ||
| 156015390 | 178218 | 0 | None | -5 | 5 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 318 | 4 | 0 | 2 | 3.6 | C[N+](C)(C)C[C@@H]1COC[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4648229 | 178218 | 0 | None | -5 | 5 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 318 | 4 | 0 | 2 | 3.6 | C[N+](C)(C)C[C@@H]1COC[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4650585 | 178218 | 0 | None | -5 | 5 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 318 | 4 | 0 | 2 | 3.6 | C[N+](C)(C)C[C@@H]1COC[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1021/acs.jmedchem.9b02100 | ||
| 122194377 | 123983 | 0 | None | -1 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 412 | 8 | 1 | 5 | 3.6 | COc1ccc(CCNC(=O)OCC2(c3ccccc3)CCN(C)CC2)cc1OC | 10.1016/j.bmcl.2015.10.029 | ||
| CHEMBL3629536 | 123983 | 0 | None | -1 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 412 | 8 | 1 | 5 | 3.6 | COc1ccc(CCNC(=O)OCC2(c3ccccc3)CCN(C)CC2)cc1OC | 10.1016/j.bmcl.2015.10.029 | ||
| 44437270 | 12296 | 0 | None | -13 | 5 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 222 | 2 | 0 | 3 | 0.6 | O=C1CCON1CC#CCN1CCCCC1 | 10.1016/j.bmc.2007.09.003 | ||
| CHEMBL1185211 | 12296 | 0 | None | -13 | 5 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 222 | 2 | 0 | 3 | 0.6 | O=C1CCON1CC#CCN1CCCCC1 | 10.1016/j.bmc.2007.09.003 | ||
| CHEMBL398043 | 12296 | 0 | None | -13 | 5 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 222 | 2 | 0 | 3 | 0.6 | O=C1CCON1CC#CCN1CCCCC1 | 10.1016/j.bmc.2007.09.003 | ||
| 1547484 | 937 | 74 | None | -9 | 20 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
| 654 | 937 | 74 | None | -9 | 20 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
| 9072 | 937 | 74 | None | -9 | 20 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
| CHEMBL43064 | 937 | 74 | None | -9 | 20 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
| DB00568 | 937 | 74 | None | -9 | 20 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
| 56672197 | 66532 | 0 | None | -4 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 245 | 2 | 0 | 1 | 3.6 | Fc1cccc(CN2C3CC4CC(C3)CC2C4)c1 | 10.1016/j.bmcl.2011.07.028 | ||
| CHEMBL1824785 | 66532 | 0 | None | -4 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 245 | 2 | 0 | 1 | 3.6 | Fc1cccc(CN2C3CC4CC(C3)CC2C4)c1 | 10.1016/j.bmcl.2011.07.028 | ||
| CHEMBL1852489 | 66532 | 0 | None | -4 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 245 | 2 | 0 | 1 | 3.6 | Fc1cccc(CN2C3CC4CC(C3)CC2C4)c1 | 10.1016/j.bmcl.2011.07.028 | ||
| 154734599 | 2486 | 12 | None | -15 | 12 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1016/j.bmc.2007.01.022 | ||
| 327 | 2486 | 12 | None | -15 | 12 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1016/j.bmc.2007.01.022 | ||
| 4108 | 2486 | 12 | None | -15 | 12 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1016/j.bmc.2007.01.022 | ||
| CHEMBL27673 | 2486 | 12 | None | -15 | 12 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1016/j.bmc.2007.01.022 | ||
| 44274317 | 83343 | 0 | None | -2 | 5 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 319 | 5 | 1 | 3 | 2.7 | CN(C)CCNC(=O)C1=C/C(=C\c2ccccn2)c2ccccc21 | 10.1016/s0960-894x(01)00186-x | ||
| CHEMBL21937 | 83343 | 0 | None | -2 | 5 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 319 | 5 | 1 | 3 | 2.7 | CN(C)CCNC(=O)C1=C/C(=C\c2ccccn2)c2ccccc21 | 10.1016/s0960-894x(01)00186-x | ||
| 44274477 | 165544 | 0 | None | -1 | 5 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 331 | 2 | 0 | 3 | 2.8 | CN1CCN(C(=O)C2=C/C(=C\c3ccncc3)c3ccccc32)CC1 | 10.1016/s0960-894x(01)00186-x | ||
| CHEMBL424214 | 165544 | 0 | None | -1 | 5 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 331 | 2 | 0 | 3 | 2.8 | CN1CCN(C(=O)C2=C/C(=C\c3ccncc3)c3ccccc32)CC1 | 10.1016/s0960-894x(01)00186-x | ||
| 155562295 | 175126 | 0 | None | 1 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 396 | 6 | 0 | 5 | 3.9 | COc1ccc(COC(=O)N(c2ccccc2)C2CN3CCC2CC3)cc1OC | 10.1016/j.bmcl.2018.12.022 | ||
| CHEMBL4570052 | 175126 | 0 | None | 1 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 396 | 6 | 0 | 5 | 3.9 | COc1ccc(COC(=O)N(c2ccccc2)C2CN3CCC2CC3)cc1OC | 10.1016/j.bmcl.2018.12.022 | ||
| CHEMBL69452 | 203951 | 0 | None | -2 | 5 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 331 | 6 | 1 | 5 | 2.7 | CCO/C(O)=C1\CN2CC(CCC2COCc2ccccc2)C1=O | 10.1021/jm020572p | ||
| 2230 | 464 | 60 | None | -416 | 10 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1021/jm020572p | ||
| 296 | 464 | 60 | None | -416 | 10 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1021/jm020572p | ||
| CHEMBL7303 | 464 | 60 | None | -416 | 10 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1021/jm020572p | ||
| DB04365 | 464 | 60 | None | -416 | 10 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1021/jm020572p | ||
| 2230 | 464 | 60 | None | -416 | 10 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1016/j.bmc.2007.12.036 | ||
| 296 | 464 | 60 | None | -416 | 10 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1016/j.bmc.2007.12.036 | ||
| CHEMBL7303 | 464 | 60 | None | -416 | 10 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1016/j.bmc.2007.12.036 | ||
| DB04365 | 464 | 60 | None | -416 | 10 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1016/j.bmc.2007.12.036 | ||
| 107782 | 14436 | 18 | None | -2 | 5 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 472 | 4 | 4 | 6 | 2.0 | C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COP(=O)(O)O | nan | ||
| 67151996 | 14436 | 18 | None | -2 | 5 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 472 | 4 | 4 | 6 | 2.0 | C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COP(=O)(O)O | nan | ||
| CHEMBL1201207 | 14436 | 18 | None | -2 | 5 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 472 | 4 | 4 | 6 | 2.0 | C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COP(=O)(O)O | nan | ||
| 44437308 | 12295 | 0 | None | -11 | 5 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 285 | 2 | 0 | 3 | 1.9 | C[N+]1(CC#CCOC2=NOCC2)CCc2ccccc2C1 | 10.1016/j.bmc.2007.09.003 | ||
| CHEMBL1185188 | 12295 | 0 | None | -11 | 5 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 285 | 2 | 0 | 3 | 1.9 | C[N+]1(CC#CCOC2=NOCC2)CCc2ccccc2C1 | 10.1016/j.bmc.2007.09.003 | ||
| CHEMBL396845 | 12295 | 0 | None | -11 | 5 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 285 | 2 | 0 | 3 | 1.9 | C[N+]1(CC#CCOC2=NOCC2)CCc2ccccc2C1 | 10.1016/j.bmc.2007.09.003 | ||
| 164618698 | 188509 | 0 | None | -6165 | 5 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 931 | 23 | 10 | 13 | -0.5 | CC(=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CCC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4862098 | 188509 | 0 | None | -6165 | 5 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 931 | 23 | 10 | 13 | -0.5 | CC(=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CCC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028512 | 188509 | 0 | None | -6165 | 5 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 931 | 23 | 10 | 13 | -0.5 | CC(=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CCC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 11530307 | 78313 | 0 | None | -1 | 2 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 218 | 1 | 0 | 2 | 0.7 | C[C@H]1O[C@@H]([C@@H]2CCC[N+]2(C)C)C[S@@+]1[O-] | 10.1021/jm0510878 | ||
| CHEMBL2093082 | 78313 | 0 | None | -1 | 2 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 218 | 1 | 0 | 2 | 0.7 | C[C@H]1O[C@@H]([C@@H]2CCC[N+]2(C)C)C[S@@+]1[O-] | 10.1021/jm0510878 | ||
| CHEMBL2109993 | 78313 | 0 | None | -1 | 2 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 218 | 1 | 0 | 2 | 0.7 | C[C@H]1O[C@@H]([C@@H]2CCC[N+]2(C)C)C[S@@+]1[O-] | 10.1021/jm0510878 | ||
| 45266386 | 194893 | 0 | None | -1 | 3 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 218 | 1 | 0 | 2 | 0.7 | C[C@@H]1O[C@H]([C@@H]2CCC[N+]2(C)C)C[S+]1[O-] | 10.1016/j.bmc.2007.12.036 | ||
| CHEMBL541424 | 194893 | 0 | None | -1 | 3 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 218 | 1 | 0 | 2 | 0.7 | C[C@@H]1O[C@H]([C@@H]2CCC[N+]2(C)C)C[S+]1[O-] | 10.1016/j.bmc.2007.12.036 | ||
| 11061341 | 78890 | 0 | None | -123 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 662 | 13 | 2 | 4 | 6.3 | O=C(CCNC(=O)[C@@H]1CCCN1C(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NC[C@H]1CCCN(CC2CCCCC2)C1 | 10.1021/jm010480k | ||
| CHEMBL2112958 | 78890 | 0 | None | -123 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 662 | 13 | 2 | 4 | 6.3 | O=C(CCNC(=O)[C@@H]1CCCN1C(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NC[C@H]1CCCN(CC2CCCCC2)C1 | 10.1021/jm010480k | ||
| 155554262 | 176531 | 0 | None | -1 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 797 | 15 | 6 | 7 | 5.6 | CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4582069 | 176531 | 0 | None | -1 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 797 | 15 | 6 | 7 | 5.6 | CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4597244 | 176531 | 0 | None | -1 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 797 | 15 | 6 | 7 | 5.6 | CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| 44593618 | 187435 | 0 | None | -6 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 347 | 3 | 0 | 3 | 3.7 | CN1CCC[C@@H]1[C@@H]1C[S+]([O-])[C@](c2ccccc2)(C2CCCCC2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| CHEMBL493979 | 187435 | 0 | None | -6 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 347 | 3 | 0 | 3 | 3.7 | CN1CCC[C@@H]1[C@@H]1C[S+]([O-])[C@](c2ccccc2)(C2CCCCC2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| 73347826 | 92513 | 0 | None | -4 | 7 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 266 | 4 | 1 | 2 | 2.4 | c1ccc(CCN[C@H]2C3C4CC5C6C4CC3C6C52)nc1 | 10.1016/j.bmc.2013.07.045 | ||
| CHEMBL2432049 | 92513 | 0 | None | -4 | 7 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 266 | 4 | 1 | 2 | 2.4 | c1ccc(CCN[C@H]2C3C4CC5C6C4CC3C6C52)nc1 | 10.1016/j.bmc.2013.07.045 | ||
| 71463063 | 83772 | 0 | None | -9 | 8 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 295 | 3 | 1 | 3 | 2.0 | COc1ccc(CN2C3C4C5CC6C7C5C3C7C2(O)C64)cc1 | 10.1016/j.bmcl.2012.08.046 | ||
| CHEMBL2205825 | 83772 | 0 | None | -9 | 8 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 295 | 3 | 1 | 3 | 2.0 | COc1ccc(CN2C3C4C5CC6C7C5C3C7C2(O)C64)cc1 | 10.1016/j.bmcl.2012.08.046 | ||
| 25067048 | 12301 | 0 | None | -46 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 646 | 13 | 2 | 2 | 8.1 | C[N+]1(CCCC(O)(c2ccccc2)c2ccccc2)CCC(C2CC[N+](C)(CCCC(O)(c3ccccc3)c3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2008.03.061 | ||
| CHEMBL1185245 | 12301 | 0 | None | -46 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 646 | 13 | 2 | 2 | 8.1 | C[N+]1(CCCC(O)(c2ccccc2)c2ccccc2)CCC(C2CC[N+](C)(CCCC(O)(c3ccccc3)c3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2008.03.061 | ||
| CHEMBL402207 | 12301 | 0 | None | -46 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 646 | 13 | 2 | 2 | 8.1 | C[N+]1(CCCC(O)(c2ccccc2)c2ccccc2)CCC(C2CC[N+](C)(CCCC(O)(c3ccccc3)c3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2008.03.061 | ||
| 11833737 | 120313 | 0 | None | -3 | 5 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 306 | 5 | 0 | 2 | 4.5 | Cc1ccc2c(c1)C(C(C)c1ccccn1)=C(CCN(C)C)C2 | 10.1021/jm020895l | ||
| CHEMBL352966 | 120313 | 0 | None | -3 | 5 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 306 | 5 | 0 | 2 | 4.5 | Cc1ccc2c(c1)C(C(C)c1ccccn1)=C(CCN(C)C)C2 | 10.1021/jm020895l | ||
| 73355415 | 92504 | 0 | None | -3 | 13 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 277 | 3 | 1 | 1 | 2.1 | C1C2C3CC4C2C2C1C3[C@H](NCC13C5C6C7C5C1C7C63)C42 | 10.1016/j.bmc.2013.07.045 | ||
| CHEMBL2432039 | 92504 | 0 | None | -3 | 13 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 277 | 3 | 1 | 1 | 2.1 | C1C2C3CC4C2C2C1C3[C@H](NCC13C5C6C7C5C1C7C63)C42 | 10.1016/j.bmc.2013.07.045 | ||
| 24841480 | 183875 | 0 | None | -3 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 340 | 3 | 0 | 4 | 4.5 | O=C(OCCN1CCCC1)N1c2ccccc2Sc2ccccc21 | 10.1016/j.bmcl.2013.04.082 | ||
| CHEMBL481153 | 183875 | 0 | None | -3 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 340 | 3 | 0 | 4 | 4.5 | O=C(OCCN1CCCC1)N1c2ccccc2Sc2ccccc21 | 10.1016/j.bmcl.2013.04.082 | ||
| 26987 | 946 | 33 | None | -39 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | ||
| 6063 | 946 | 33 | None | -39 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | ||
| 671 | 946 | 33 | None | -39 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | ||
| CHEMBL1626 | 946 | 33 | None | -39 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | ||
| DB00283 | 946 | 33 | None | -39 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | ||
| 5284632 | 67372 | 13 | None | -5 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 392 | 4 | 1 | 3 | 3.8 | O=C(O[C@@H]1C[C@@H]2CC[C@H](C1)[N+]21CCCC1)C(O)(c1ccccc1)c1ccccc1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL1888176 | 67372 | 13 | None | -5 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 392 | 4 | 1 | 3 | 3.8 | O=C(O[C@@H]1C[C@@H]2CC[C@H](C1)[N+]21CCCC1)C(O)(c1ccccc1)c1ccccc1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL3084748 | 67372 | 13 | None | -5 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 392 | 4 | 1 | 3 | 3.8 | O=C(O[C@@H]1C[C@@H]2CC[C@H](C1)[N+]21CCCC1)C(O)(c1ccccc1)c1ccccc1 | 10.1021/acs.jmedchem.9b02100 | ||
| 23983764 | 10301 | 0 | None | -1 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 217 | 3 | 0 | 5 | 1.3 | Cc1nccn1CC#CCOc1ccon1 | 10.1016/j.bmc.2007.12.036 | ||
| CHEMBL1162116 | 10301 | 0 | None | -1 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 217 | 3 | 0 | 5 | 1.3 | Cc1nccn1CC#CCOc1ccon1 | 10.1016/j.bmc.2007.12.036 | ||
| 100 | 3776 | 58 | None | -4 | 56 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | ||
| 2637 | 3776 | 58 | None | -4 | 56 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | ||
| 5452 | 3776 | 58 | None | -4 | 56 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | ||
| CHEMBL479 | 3776 | 58 | None | -4 | 56 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | ||
| DB00679 | 3776 | 58 | None | -4 | 56 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | ||
| CHEMBL5273907 | 193761 | 0 | None | -7 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 945 | 20 | 2 | 5 | 13.3 | CN1/C(=C/C=C/C=C/C2=[N+](CCCCCC(=O)NCCCCCCN3CCC(COC(=O)Nc4ccc(F)cc4-c4ccc(F)c(Cl)c4)CC3)c3ccccc3C2(C)C)C(C)(C)c2ccccc21 | 10.1021/acs.jmedchem.2c01376 | ||
| 155518181 | 170237 | 0 | None | -1 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 404 | 4 | 0 | 3 | 5.2 | O=C(OCc1ccc(Cl)c(Cl)c1)N(c1ccccc1)C1CN2CCC1CC2 | 10.1016/j.bmcl.2018.12.022 | ||
| CHEMBL4446039 | 170237 | 0 | None | -1 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 404 | 4 | 0 | 3 | 5.2 | O=C(OCc1ccc(Cl)c(Cl)c1)N(c1ccccc1)C1CN2CCC1CC2 | 10.1016/j.bmcl.2018.12.022 | ||
| 155535972 | 172098 | 0 | None | 1 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 356 | 5 | 0 | 3 | 4.1 | CN1CCC(OC(=O)N(CCc2ccc(F)cc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2018.12.022 | ||
| CHEMBL4472832 | 172098 | 0 | None | 1 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 356 | 5 | 0 | 3 | 4.1 | CN1CCC(OC(=O)N(CCc2ccc(F)cc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2018.12.022 | ||
| 71575447 | 86173 | 0 | None | 4 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 363 | 5 | 0 | 4 | 3.5 | CN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc3c(c2)CCO3)C1 | 10.1021/jm301774u | ||
| CHEMBL2312361 | 86173 | 0 | None | 4 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 363 | 5 | 0 | 4 | 3.5 | CN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc3c(c2)CCO3)C1 | 10.1021/jm301774u | ||
| 164610746 | 188443 | 0 | None | -1548 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 888 | 22 | 9 | 12 | 0.6 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4854886 | 188443 | 0 | None | -1548 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 888 | 22 | 9 | 12 | 0.6 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028038 | 188443 | 0 | None | -1548 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 888 | 22 | 9 | 12 | 0.6 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 11012712 | 57799 | 2 | None | -5 | 5 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 322 | 6 | 0 | 3 | 4.2 | COc1ccc2c(c1)CC(CCN(C)C)=C2C(C)c1ccccn1 | 10.1021/jm020895l | ||
| CHEMBL167027 | 57799 | 2 | None | -5 | 5 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 322 | 6 | 0 | 3 | 4.2 | COc1ccc2c(c1)CC(CCN(C)C)=C2C(C)c1ccccn1 | 10.1021/jm020895l | ||
| 137644962 | 158469 | 0 | None | -301 | 8 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 363 | 6 | 0 | 3 | 3.2 | O=C1CCc2ccccc2N1CCCN1CCN(Cc2ccccc2)CC1 | 10.1021/acs.jmedchem.8b00265 | ||
| CHEMBL4091058 | 158469 | 0 | None | -301 | 8 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 363 | 6 | 0 | 3 | 3.2 | O=C1CCc2ccccc2N1CCCN1CCN(Cc2ccccc2)CC1 | 10.1021/acs.jmedchem.8b00265 | ||
| 191 | 402 | 98 | None | -45 | 29 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | nan | ||
| 201 | 402 | 98 | None | -45 | 29 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | nan | ||
| 2170 | 402 | 98 | None | -45 | 29 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | nan | ||
| CHEMBL1113 | 402 | 98 | None | -45 | 29 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | nan | ||
| DB00543 | 402 | 98 | None | -45 | 29 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | nan | ||
| 164617895 | 188501 | 0 | None | -3311 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 931 | 24 | 10 | 13 | -0.5 | CC(=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)N[C@H](CCCN)C(=O)NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4852868 | 188501 | 0 | None | -3311 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 931 | 24 | 10 | 13 | -0.5 | CC(=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)N[C@H](CCCN)C(=O)NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028466 | 188501 | 0 | None | -3311 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 931 | 24 | 10 | 13 | -0.5 | CC(=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)N[C@H](CCCN)C(=O)NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 156012936 | 178272 | 0 | None | -9 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 312 | 4 | 0 | 2 | 3.6 | C[N+](C)(C)C[C@@H]1CO[C@@H](c2ccccc2)[C@@H](c2ccccc2)O1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4639004 | 178272 | 0 | None | -9 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 312 | 4 | 0 | 2 | 3.6 | C[N+](C)(C)C[C@@H]1CO[C@@H](c2ccccc2)[C@@H](c2ccccc2)O1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4650969 | 178272 | 0 | None | -9 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 312 | 4 | 0 | 2 | 3.6 | C[N+](C)(C)C[C@@H]1CO[C@@H](c2ccccc2)[C@@H](c2ccccc2)O1 | 10.1021/acs.jmedchem.9b02100 | ||
| 156009611 | 178233 | 0 | None | -2 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 360 | 5 | 0 | 3 | 3.0 | C[N+](C)(C)C[C@@H]1CO[C@H](c2ccc([S+]([O-])c3ccccc3)cc2)CO1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4634605 | 178233 | 0 | None | -2 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 360 | 5 | 0 | 3 | 3.0 | C[N+](C)(C)C[C@@H]1CO[C@H](c2ccc([S+]([O-])c3ccccc3)cc2)CO1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4650698 | 178233 | 0 | None | -2 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 360 | 5 | 0 | 3 | 3.0 | C[N+](C)(C)C[C@@H]1CO[C@H](c2ccc([S+]([O-])c3ccccc3)cc2)CO1 | 10.1021/acs.jmedchem.9b02100 | ||
| 156014813 | 178260 | 0 | None | 1 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 376 | 5 | 0 | 4 | 2.7 | C[N+](C)(C)C[C@@H]1COC[C@H](c2ccc(S(=O)(=O)c3ccccc3)cc2)O1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4649668 | 178260 | 0 | None | 1 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 376 | 5 | 0 | 4 | 2.7 | C[N+](C)(C)C[C@@H]1COC[C@H](c2ccc(S(=O)(=O)c3ccccc3)cc2)O1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4650897 | 178260 | 0 | None | 1 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 376 | 5 | 0 | 4 | 2.7 | C[N+](C)(C)C[C@@H]1COC[C@H](c2ccc(S(=O)(=O)c3ccccc3)cc2)O1 | 10.1021/acs.jmedchem.9b02100 | ||
| 156015730 | 178292 | 0 | None | -2 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 360 | 5 | 0 | 3 | 3.0 | C[N+](C)(C)C[C@@H]1COC[C@H](c2ccc([S+]([O-])c3ccccc3)cc2)O1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4644389 | 178292 | 0 | None | -2 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 360 | 5 | 0 | 3 | 3.0 | C[N+](C)(C)C[C@@H]1COC[C@H](c2ccc([S+]([O-])c3ccccc3)cc2)O1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4651081 | 178292 | 0 | None | -2 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 360 | 5 | 0 | 3 | 3.0 | C[N+](C)(C)C[C@@H]1COC[C@H](c2ccc([S+]([O-])c3ccccc3)cc2)O1 | 10.1021/acs.jmedchem.9b02100 | ||
| 135430667 | 4926 | 0 | None | -100 | 5 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 402 | 2 | 1 | 6 | 4.3 | COc1ccc2c(c1)CCN1Cc3c(ccc4[nH]c(C)c(-c5nc(C)no5)c34)OC21 | 10.1021/jm011116o | ||
| CHEMBL104803 | 4926 | 0 | None | -100 | 5 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 402 | 2 | 1 | 6 | 4.3 | COc1ccc2c(c1)CCN1Cc3c(ccc4[nH]c(C)c(-c5nc(C)no5)c34)OC21 | 10.1021/jm011116o | ||
| 64143 | 198841 | 62 | None | -2 | 8 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 567 | 9 | 4 | 6 | 4.7 | Cc1c(O)cccc1C(=O)N[C@@H](CSc1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C | nan | ||
| CHEMBL584 | 198841 | 62 | None | -2 | 8 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 567 | 9 | 4 | 6 | 4.7 | Cc1c(O)cccc1C(=O)N[C@@H](CSc1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C | nan | ||
| 10125445 | 75999 | 0 | None | -19 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 286 | 4 | 1 | 4 | 3.6 | Cc1c(NC2CC2)nc(C2CC2)nc1N1CCCCCC1 | 10.1016/j.bmcl.2006.01.006 | ||
| CHEMBL205654 | 75999 | 0 | None | -19 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 286 | 4 | 1 | 4 | 3.6 | Cc1c(NC2CC2)nc(C2CC2)nc1N1CCCCCC1 | 10.1016/j.bmcl.2006.01.006 | ||
| 9809330 | 115973 | 0 | None | -575 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 552 | 16 | 0 | 13 | 2.3 | CN1CCC=C(c2nsnc2OCCOCCOCCOCCOc2nsnc2C2=CCCN(C)C2)C1 | 10.1021/jm0301235 | ||
| CHEMBL335542 | 115973 | 0 | None | -575 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 552 | 16 | 0 | 13 | 2.3 | CN1CCC=C(c2nsnc2OCCOCCOCCOCCOc2nsnc2C2=CCCN(C)C2)C1 | 10.1021/jm0301235 | ||
| 9809330 | 115973 | 0 | None | -575 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 552 | 16 | 0 | 13 | 2.3 | CN1CCC=C(c2nsnc2OCCOCCOCCOCCOc2nsnc2C2=CCCN(C)C2)C1 | 10.1021/jm0606995 | ||
| CHEMBL335542 | 115973 | 0 | None | -575 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 552 | 16 | 0 | 13 | 2.3 | CN1CCC=C(c2nsnc2OCCOCCOCCOCCOc2nsnc2C2=CCCN(C)C2)C1 | 10.1021/jm0606995 | ||
| 71575452 | 86175 | 0 | None | 1 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 377 | 6 | 0 | 4 | 3.9 | CN1CCC(c2ccccc2)=C(C(=O)OCCCc2ccc3c(c2)CCO3)C1 | 10.1021/jm301774u | ||
| CHEMBL2312366 | 86175 | 0 | None | 1 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 377 | 6 | 0 | 4 | 3.9 | CN1CCC(c2ccccc2)=C(C(=O)OCCCc2ccc3c(c2)CCO3)C1 | 10.1021/jm301774u | ||
| 10226457 | 12943 | 0 | None | -158 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 423 | 15 | 0 | 7 | 5.1 | CC(=O)OCCCCCCCCCCCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm0301235 | ||
| CHEMBL1189471 | 12943 | 0 | None | -158 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 423 | 15 | 0 | 7 | 5.1 | CC(=O)OCCCCCCCCCCCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm0301235 | ||
| CHEMBL538793 | 12943 | 0 | None | -158 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 423 | 15 | 0 | 7 | 5.1 | CC(=O)OCCCCCCCCCCCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm0301235 | ||
| 145963288 | 161591 | 0 | None | -3 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 379 | 5 | 0 | 4 | 3.5 | c1ccc(C2(c3ccccc3)COC[C@@H](CO[C@H]3CN4CCC3CC4)O2)cc1 | 10.1016/j.ejmech.2017.06.004 | ||
| CHEMBL4129723 | 161591 | 0 | None | -3 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 379 | 5 | 0 | 4 | 3.5 | c1ccc(C2(c3ccccc3)COC[C@@H](CO[C@H]3CN4CCC3CC4)O2)cc1 | 10.1016/j.ejmech.2017.06.004 | ||
| 16094791 | 83228 | 0 | None | -15 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 443 | 13 | 0 | 12 | 1.6 | COc1nsnc1OCCOCCOCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm0606995 | ||
| CHEMBL218755 | 83228 | 0 | None | -15 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 443 | 13 | 0 | 12 | 1.6 | COc1nsnc1OCCOCCOCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm0606995 | ||
| 156013387 | 178237 | 0 | None | -7 | 5 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 326 | 5 | 0 | 2 | 3.3 | C[N+](C)(C)C[C@@H]1CO[C@@H](C(c2ccccc2)c2ccccc2)CO1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4638935 | 178237 | 0 | None | -7 | 5 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 326 | 5 | 0 | 2 | 3.3 | C[N+](C)(C)C[C@@H]1CO[C@@H](C(c2ccccc2)c2ccccc2)CO1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4650725 | 178237 | 0 | None | -7 | 5 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 326 | 5 | 0 | 2 | 3.3 | C[N+](C)(C)C[C@@H]1CO[C@@H](C(c2ccccc2)c2ccccc2)CO1 | 10.1021/acs.jmedchem.9b02100 | ||
| 24894514 | 172710 | 3 | None | -2 | 5 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 151 | 1 | 0 | 2 | 2.0 | CN1CCC[C@H]1c1ccco1 | 10.1021/jm800145d | ||
| CHEMBL450729 | 172710 | 3 | None | -2 | 5 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 151 | 1 | 0 | 2 | 2.0 | CN1CCC[C@H]1c1ccco1 | 10.1021/jm800145d | ||
| 46227411 | 14089 | 0 | None | -3 | 3 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 174 | 2 | 0 | 2 | 0.5 | C[C@H]1CO[C@H](C[N+](C)(C)C)CO1 | 10.1016/j.bmc.2009.10.027 | ||
| CHEMBL1198027 | 14089 | 0 | None | -3 | 3 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 174 | 2 | 0 | 2 | 0.5 | C[C@H]1CO[C@H](C[N+](C)(C)C)CO1 | 10.1016/j.bmc.2009.10.027 | ||
| CHEMBL593443 | 14089 | 0 | None | -3 | 3 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 174 | 2 | 0 | 2 | 0.5 | C[C@H]1CO[C@H](C[N+](C)(C)C)CO1 | 10.1016/j.bmc.2009.10.027 | ||
| 24809738 | 11857 | 0 | None | -125 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 209 | 3 | 0 | 3 | 1.1 | Cc1cc(OCC#CC[N+](C)(C)C)no1 | 10.1016/j.bmc.2007.09.003 | ||
| CHEMBL1182466 | 11857 | 0 | None | -125 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 209 | 3 | 0 | 3 | 1.1 | Cc1cc(OCC#CC[N+](C)(C)C)no1 | 10.1016/j.bmc.2007.09.003 | ||
| CHEMBL239655 | 11857 | 0 | None | -125 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 209 | 3 | 0 | 3 | 1.1 | Cc1cc(OCC#CC[N+](C)(C)C)no1 | 10.1016/j.bmc.2007.09.003 | ||
| 2774 | 3839 | 95 | None | -4 | 10 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | nan | ||
| 5593 | 3839 | 95 | None | -4 | 10 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | nan | ||
| 7319 | 3839 | 95 | None | -4 | 10 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | nan | ||
| CHEMBL1200604 | 3839 | 95 | None | -4 | 10 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | nan | ||
| DB00809 | 3839 | 95 | None | -4 | 10 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | nan | ||
| DB01199 | 3839 | 95 | None | -4 | 10 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | nan | ||
| 155511112 | 169503 | 0 | None | -1 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 394 | 7 | 0 | 4 | 4.4 | COc1ccc(CCCOC(=O)N(c2ccccc2)C2CN3CCC2CC3)cc1 | 10.1016/j.bmcl.2018.12.022 | ||
| CHEMBL4435123 | 169503 | 0 | None | -1 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 394 | 7 | 0 | 4 | 4.4 | COc1ccc(CCCOC(=O)N(c2ccccc2)C2CN3CCC2CC3)cc1 | 10.1016/j.bmcl.2018.12.022 | ||
| 155565770 | 175600 | 0 | None | -1 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 410 | 7 | 0 | 5 | 4.0 | COc1ccc(CCN(C(=O)OC2CN3CCC2CC3)c2ccccc2)cc1OC | 10.1016/j.bmcl.2018.12.022 | ||
| CHEMBL4580590 | 175600 | 0 | None | -1 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 410 | 7 | 0 | 5 | 4.0 | COc1ccc(CCN(C(=O)OC2CN3CCC2CC3)c2ccccc2)cc1OC | 10.1016/j.bmcl.2018.12.022 | ||
| 12739458 | 66521 | 0 | None | -3 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 227 | 2 | 0 | 1 | 3.5 | c1ccc(CN2C3CC4CC(C3)CC2C4)cc1 | 10.1016/j.bmcl.2011.07.028 | ||
| CHEMBL1824784 | 66521 | 0 | None | -3 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 227 | 2 | 0 | 1 | 3.5 | c1ccc(CN2C3CC4CC(C3)CC2C4)cc1 | 10.1016/j.bmcl.2011.07.028 | ||
| CHEMBL1852447 | 66521 | 0 | None | -3 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 227 | 2 | 0 | 1 | 3.5 | c1ccc(CN2C3CC4CC(C3)CC2C4)cc1 | 10.1016/j.bmcl.2011.07.028 | ||
| 11013666 | 59402 | 1 | None | -1 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 354 | 6 | 0 | 2 | 5.2 | CN(C)CCC1=C(C(c2ccccc2)c2ccccn2)c2ccccc2C1 | 10.1021/jm020895l | ||
| CHEMBL171102 | 59402 | 1 | None | -1 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 354 | 6 | 0 | 2 | 5.2 | CN(C)CCC1=C(C(c2ccccc2)c2ccccn2)c2ccccc2C1 | 10.1021/jm020895l | ||
| 44274400 | 98910 | 0 | None | -3 | 5 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 319 | 5 | 1 | 3 | 2.7 | CN(C)CCNC(=O)C1=C/C(=C\c2cccnc2)c2ccccc21 | 10.1016/s0960-894x(01)00186-x | ||
| CHEMBL279520 | 98910 | 0 | None | -3 | 5 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 319 | 5 | 1 | 3 | 2.7 | CN(C)CCNC(=O)C1=C/C(=C\c2cccnc2)c2ccccc21 | 10.1016/s0960-894x(01)00186-x | ||
| 11759058 | 120823 | 0 | None | -1 | 5 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 321 | 6 | 1 | 3 | 2.3 | CN(C)CCNC(=O)C1=C(Cc2cccnc2)c2ccccc2C1 | 10.1021/jm020895l | ||
| CHEMBL355851 | 120823 | 0 | None | -1 | 5 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 321 | 6 | 1 | 3 | 2.3 | CN(C)CCNC(=O)C1=C(Cc2cccnc2)c2ccccc2C1 | 10.1021/jm020895l | ||
| 46227487 | 14095 | 0 | None | -1 | 4 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 216 | 2 | 0 | 2 | 1.7 | CC1(C)OC[C@@H](C[N+](C)(C)C)OC1(C)C | 10.1016/j.bmc.2009.10.027 | ||
| CHEMBL1198047 | 14095 | 0 | None | -1 | 4 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 216 | 2 | 0 | 2 | 1.7 | CC1(C)OC[C@@H](C[N+](C)(C)C)OC1(C)C | 10.1016/j.bmc.2009.10.027 | ||
| CHEMBL593861 | 14095 | 0 | None | -1 | 4 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 216 | 2 | 0 | 2 | 1.7 | CC1(C)OC[C@@H](C[N+](C)(C)C)OC1(C)C | 10.1016/j.bmc.2009.10.027 | ||
| 11808946 | 120610 | 0 | None | -6 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 306 | 6 | 0 | 2 | 4.5 | CCC(C1=C(CCN(C)C)Cc2ccccc21)c1ccccn1 | 10.1021/jm020895l | ||
| CHEMBL354678 | 120610 | 0 | None | -6 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 306 | 6 | 0 | 2 | 4.5 | CCC(C1=C(CCN(C)C)Cc2ccccc21)c1ccccn1 | 10.1021/jm020895l | ||
| 164616706 | 188491 | 0 | None | -1148 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 660 | 14 | 6 | 8 | 1.7 | N=C(N)NCCC[C@@H](N)C(=O)NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4850130 | 188491 | 0 | None | -1148 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 660 | 14 | 6 | 8 | 1.7 | N=C(N)NCCC[C@@H](N)C(=O)NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028391 | 188491 | 0 | None | -1148 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 660 | 14 | 6 | 8 | 1.7 | N=C(N)NCCC[C@@H](N)C(=O)NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 44422692 | 11821 | 0 | None | -7 | 5 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 174 | 2 | 0 | 2 | 0.5 | CC1COCC(C[N+](C)(C)C)O1 | 10.1016/j.bmcl.2007.11.073 | ||
| CHEMBL1182296 | 11821 | 0 | None | -7 | 5 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 174 | 2 | 0 | 2 | 0.5 | CC1COCC(C[N+](C)(C)C)O1 | 10.1016/j.bmcl.2007.11.073 | ||
| CHEMBL228144 | 11821 | 0 | None | -7 | 5 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 174 | 2 | 0 | 2 | 0.5 | CC1COCC(C[N+](C)(C)C)O1 | 10.1016/j.bmcl.2007.11.073 | ||
| 44446841 | 12306 | 0 | None | -4 | 4 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 174 | 2 | 0 | 2 | 0.5 | C[C@@H]1COC[C@@H](C[N+](C)(C)C)O1 | 10.1016/j.bmc.2009.10.027 | ||
| CHEMBL1185281 | 12306 | 0 | None | -4 | 4 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 174 | 2 | 0 | 2 | 0.5 | C[C@@H]1COC[C@@H](C[N+](C)(C)C)O1 | 10.1016/j.bmc.2009.10.027 | ||
| CHEMBL404557 | 12306 | 0 | None | -4 | 4 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 174 | 2 | 0 | 2 | 0.5 | C[C@@H]1COC[C@@H](C[N+](C)(C)C)O1 | 10.1016/j.bmc.2009.10.027 | ||
| 164673826 | 192150 | 7 | None | - | 1 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 411 | 5 | 0 | 6 | 2.5 | Cn1ccnc1SC[C@H]1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)C[C@@H]1F | 10.1021/acs.jmedchem.2c00192 | ||
| CHEMBL5204021 | 192150 | 7 | None | - | 1 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 411 | 5 | 0 | 6 | 2.5 | Cn1ccnc1SC[C@H]1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)C[C@@H]1F | 10.1021/acs.jmedchem.2c00192 | ||
| 44437256 | 12364 | 0 | None | -1 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 282 | 4 | 0 | 4 | 2.8 | C(#CCN1CCCC1)COc1cc(-c2ccccc2)on1 | 10.1016/j.bmc.2007.09.003 | ||
| CHEMBL1185707 | 12364 | 0 | None | -1 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 282 | 4 | 0 | 4 | 2.8 | C(#CCN1CCCC1)COc1cc(-c2ccccc2)on1 | 10.1016/j.bmc.2007.09.003 | ||
| CHEMBL428916 | 12364 | 0 | None | -1 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 282 | 4 | 0 | 4 | 2.8 | C(#CCN1CCCC1)COc1cc(-c2ccccc2)on1 | 10.1016/j.bmc.2007.09.003 | ||
| 156015254 | 178263 | 0 | None | -15 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 984 | 19 | 2 | 7 | 10.6 | C[N+]1=C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCN3CCN(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc65)CC4)CC3)c3ccccc3C2(C)C)C(C)(C)c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL4649420 | 178263 | 0 | None | -15 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 984 | 19 | 2 | 7 | 10.6 | C[N+]1=C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCN3CCN(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc65)CC4)CC3)c3ccccc3C2(C)C)C(C)(C)c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL4650938 | 178263 | 0 | None | -15 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 984 | 19 | 2 | 7 | 10.6 | C[N+]1=C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCN3CCN(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc65)CC4)CC3)c3ccccc3C2(C)C)C(C)(C)c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| 156017826 | 177834 | 0 | None | -3 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 303 | 4 | 0 | 3 | 3.4 | CN(C)C[C@@H]1COC[C@](c2ccccc2)(C2CCCCC2)O1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4644285 | 177834 | 0 | None | -3 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 303 | 4 | 0 | 3 | 3.4 | CN(C)C[C@@H]1COC[C@](c2ccccc2)(C2CCCCC2)O1 | 10.1021/acs.jmedchem.9b02100 | ||
| 44448496 | 11880 | 0 | None | 1 | 5 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 401 | 7 | 1 | 2 | 4.7 | C[N+]1(CCCC(O)(c2ccccc2)c2ccccc2)CCN(c2ccccc2)CC1 | 10.1016/j.bmcl.2008.03.061 | ||
| CHEMBL1182637 | 11880 | 0 | None | 1 | 5 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 401 | 7 | 1 | 2 | 4.7 | C[N+]1(CCCC(O)(c2ccccc2)c2ccccc2)CCN(c2ccccc2)CC1 | 10.1016/j.bmcl.2008.03.061 | ||
| CHEMBL257547 | 11880 | 0 | None | 1 | 5 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 401 | 7 | 1 | 2 | 4.7 | C[N+]1(CCCC(O)(c2ccccc2)c2ccccc2)CCN(c2ccccc2)CC1 | 10.1016/j.bmcl.2008.03.061 | ||
| 300 | 2493 | 15 | None | -1 | 6 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 154 | 2 | 0 | 1 | 1.8 | Cc1ccc(o1)C[N+](C)(C)C | 10.1021/jm800145d | ||
| 4141 | 2493 | 15 | None | -1 | 6 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 154 | 2 | 0 | 1 | 1.8 | Cc1ccc(o1)C[N+](C)(C)C | 10.1021/jm800145d | ||
| CHEMBL92387 | 2493 | 15 | None | -1 | 6 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 154 | 2 | 0 | 1 | 1.8 | Cc1ccc(o1)C[N+](C)(C)C | 10.1021/jm800145d | ||
| 2551 | 791 | 23 | None | -204 | 11 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0510878 | ||
| 298 | 791 | 23 | None | -204 | 11 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0510878 | ||
| 488 | 791 | 23 | None | -204 | 11 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0510878 | ||
| CHEMBL965 | 791 | 23 | None | -204 | 11 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0510878 | ||
| DB00411 | 791 | 23 | None | -204 | 11 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0510878 | ||
| 2551 | 791 | 23 | None | -204 | 11 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/j.bmcl.2007.11.073 | ||
| 298 | 791 | 23 | None | -204 | 11 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/j.bmcl.2007.11.073 | ||
| 488 | 791 | 23 | None | -204 | 11 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/j.bmcl.2007.11.073 | ||
| CHEMBL965 | 791 | 23 | None | -204 | 11 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/j.bmcl.2007.11.073 | ||
| DB00411 | 791 | 23 | None | -204 | 11 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/j.bmcl.2007.11.073 | ||
| 2551 | 791 | 23 | None | -204 | 11 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm800145d | ||
| 298 | 791 | 23 | None | -204 | 11 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm800145d | ||
| 488 | 791 | 23 | None | -204 | 11 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm800145d | ||
| CHEMBL965 | 791 | 23 | None | -204 | 11 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm800145d | ||
| DB00411 | 791 | 23 | None | -204 | 11 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm800145d | ||
| 2551 | 791 | 23 | None | -204 | 11 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/j.bmc.2009.10.027 | ||
| 298 | 791 | 23 | None | -204 | 11 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/j.bmc.2009.10.027 | ||
| 488 | 791 | 23 | None | -204 | 11 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/j.bmc.2009.10.027 | ||
| CHEMBL965 | 791 | 23 | None | -204 | 11 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/j.bmc.2009.10.027 | ||
| DB00411 | 791 | 23 | None | -204 | 11 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/j.bmc.2009.10.027 | ||
| 2551 | 791 | 23 | None | -204 | 11 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/j.bmcl.2014.06.020 | ||
| 298 | 791 | 23 | None | -204 | 11 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/j.bmcl.2014.06.020 | ||
| 488 | 791 | 23 | None | -204 | 11 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/j.bmcl.2014.06.020 | ||
| CHEMBL965 | 791 | 23 | None | -204 | 11 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/j.bmcl.2014.06.020 | ||
| DB00411 | 791 | 23 | None | -204 | 11 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/j.bmcl.2014.06.020 | ||
| 122194369 | 123977 | 0 | None | -1 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 383 | 7 | 0 | 5 | 3.5 | COc1ccc(CCOC(=O)C2(c3ccccc3)CCN(C)CC2)cc1OC | 10.1016/j.bmcl.2015.10.029 | ||
| CHEMBL3629529 | 123977 | 0 | None | -1 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 383 | 7 | 0 | 5 | 3.5 | COc1ccc(CCOC(=O)C2(c3ccccc3)CCN(C)CC2)cc1OC | 10.1016/j.bmcl.2015.10.029 | ||
| 122194372 | 123980 | 0 | None | -2 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 352 | 6 | 1 | 3 | 3.0 | COc1ccc(CCNC(=O)C2(c3ccccc3)CCN(C)CC2)cc1 | 10.1016/j.bmcl.2015.10.029 | ||
| CHEMBL3629532 | 123980 | 0 | None | -2 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 352 | 6 | 1 | 3 | 3.0 | COc1ccc(CCNC(=O)C2(c3ccccc3)CCN(C)CC2)cc1 | 10.1016/j.bmcl.2015.10.029 | ||
| 44627740 | 198735 | 0 | None | -5 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 339 | 4 | 1 | 3 | 4.9 | CN1CCCC1c1ccc(C(O)(c2ccccc2)C2CCCCC2)o1 | 10.1021/jm901048j | ||
| CHEMBL583051 | 198735 | 0 | None | -5 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 339 | 4 | 1 | 3 | 4.9 | CN1CCCC1c1ccc(C(O)(c2ccccc2)C2CCCCC2)o1 | 10.1021/jm901048j | ||
| 2683 | 102861 | 25 | None | -1 | 16 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 304 | 15 | 0 | 0 | 6.5 | CCCCCCCCCCCCCCCC[n+]1ccccc1 | nan | ||
| CHEMBL305906 | 102861 | 25 | None | -1 | 16 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 304 | 15 | 0 | 0 | 6.5 | CCCCCCCCCCCCCCCC[n+]1ccccc1 | nan | ||
| CHEMBL334255 | 102861 | 25 | None | -1 | 16 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 304 | 15 | 0 | 0 | 6.5 | CCCCCCCCCCCCCCCC[n+]1ccccc1 | nan | ||
| CHEMBL5285607 | 194281 | 0 | None | -5 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 1052 | 21 | 1 | 13 | 10.0 | CN(C)c1ccc2c(-c3ccc(-c4cn(CCCCCn5cc(CCCCCCN6CCC(COC(=O)Nc7ccc(F)cc7-c7ccc(F)c(Cl)c7)CC6)nn5)nn4)cc3C(=O)[O-])c3ccc(=[N+](C)C)cc-3oc2c1 | 10.1021/acs.jmedchem.2c01376 | ||
| 155550436 | 176477 | 0 | None | -891 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 852 | 20 | 6 | 10 | 3.6 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4569639 | 176477 | 0 | None | -891 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 852 | 20 | 6 | 10 | 3.6 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4596780 | 176477 | 0 | None | -891 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 852 | 20 | 6 | 10 | 3.6 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| 162654942 | 183647 | 0 | None | -37 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 833 | 17 | 2 | 7 | 8.1 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)cn1 | 10.1039/d0md00137f | ||
| CHEMBL4754371 | 183647 | 0 | None | -37 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 833 | 17 | 2 | 7 | 8.1 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)cn1 | 10.1039/d0md00137f | ||
| CHEMBL4802913 | 183647 | 0 | None | -37 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 833 | 17 | 2 | 7 | 8.1 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)cn1 | 10.1039/d0md00137f | ||
| 56663451 | 65436 | 0 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 260 | 1 | 3 | 4 | 2.6 | Nc1nc(Cl)ncc1-c1c[nH]c2cccc(O)c12 | 10.1016/j.bmc.2011.08.033 | ||
| CHEMBL1829961 | 65436 | 0 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 260 | 1 | 3 | 4 | 2.6 | Nc1nc(Cl)ncc1-c1c[nH]c2cccc(O)c12 | 10.1016/j.bmc.2011.08.033 | ||
| 155552923 | 176283 | 0 | None | -15 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 739 | 17 | 6 | 8 | 4.0 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4544820 | 176283 | 0 | None | -15 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 739 | 17 | 6 | 8 | 4.0 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4595245 | 176283 | 0 | None | -15 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 739 | 17 | 6 | 8 | 4.0 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| 44448646 | 11876 | 0 | None | -3 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 324 | 6 | 1 | 1 | 4.3 | C[N+]1(CCCC(O)(c2ccccc2)c2ccccc2)CCCCC1 | 10.1016/j.bmcl.2008.03.061 | ||
| CHEMBL1182612 | 11876 | 0 | None | -3 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 324 | 6 | 1 | 1 | 4.3 | C[N+]1(CCCC(O)(c2ccccc2)c2ccccc2)CCCCC1 | 10.1016/j.bmcl.2008.03.061 | ||
| CHEMBL254586 | 11876 | 0 | None | -3 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 324 | 6 | 1 | 1 | 4.3 | C[N+]1(CCCC(O)(c2ccccc2)c2ccccc2)CCCCC1 | 10.1016/j.bmcl.2008.03.061 | ||
| 155551903 | 176433 | 0 | None | -89 | 5 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 462 | 8 | 2 | 4 | 4.3 | CCC(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4569929 | 176433 | 0 | None | -89 | 5 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 462 | 8 | 2 | 4 | 4.3 | CCC(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4596435 | 176433 | 0 | None | -89 | 5 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 462 | 8 | 2 | 4 | 4.3 | CCC(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| 9937474 | 170446 | 0 | None | -363 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 551 | 6 | 1 | 5 | 5.3 | Nc1ccccc1C(=O)N1CCC(N2CCC(Cc3ccc(S(=O)(=O)c4cccc(Cl)c4)cc3)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4448933 | 170446 | 0 | None | -363 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 551 | 6 | 1 | 5 | 5.3 | Nc1ccccc1C(=O)N1CCC(N2CCC(Cc3ccc(S(=O)(=O)c4cccc(Cl)c4)cc3)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 11759212 | 57862 | 0 | None | -891 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 326 | 5 | 0 | 2 | 4.8 | CC(C1=C(CCN(C)C)Cc2cc(Cl)ccc21)c1ccccn1 | 10.1021/jm020895l | ||
| CHEMBL167223 | 57862 | 0 | None | -891 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 326 | 5 | 0 | 2 | 4.8 | CC(C1=C(CCN(C)C)Cc2cc(Cl)ccc21)c1ccccn1 | 10.1021/jm020895l | ||
| 155559741 | 176263 | 0 | None | -40 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 739 | 17 | 6 | 8 | 4.0 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4562770 | 176263 | 0 | None | -40 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 739 | 17 | 6 | 8 | 4.0 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4595125 | 176263 | 0 | None | -40 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 739 | 17 | 6 | 8 | 4.0 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| 71575652 | 86169 | 0 | None | -1 | 5 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 381 | 5 | 0 | 4 | 3.6 | CN1CCC(c2ccccc2F)=C(C(=O)OCCc2ccc3c(c2)CCO3)C1 | 10.1021/jm301774u | ||
| CHEMBL2312352 | 86169 | 0 | None | -1 | 5 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 381 | 5 | 0 | 4 | 3.6 | CN1CCC(c2ccccc2F)=C(C(=O)OCCc2ccc3c(c2)CCO3)C1 | 10.1021/jm301774u | ||
| 71575551 | 86180 | 0 | None | 3 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 365 | 6 | 0 | 4 | 3.9 | COc1ccc(CCOC(=O)C2=C(c3ccccc3)CCN(C)C2)cc1C | 10.1021/jm301774u | ||
| CHEMBL2312371 | 86180 | 0 | None | 3 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 365 | 6 | 0 | 4 | 3.9 | COc1ccc(CCOC(=O)C2=C(c3ccccc3)CCN(C)C2)cc1C | 10.1021/jm301774u | ||
| 1210 | 915 | 51 | None | -91 | 21 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| 1213 | 915 | 51 | None | -91 | 21 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| 2725 | 915 | 51 | None | -91 | 21 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| 33036 | 915 | 51 | None | -91 | 21 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| 4411 | 915 | 51 | None | -91 | 21 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| 616 | 915 | 51 | None | -91 | 21 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| 6976 | 915 | 51 | None | -91 | 21 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| 716121 | 915 | 51 | None | -91 | 21 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| 90475904 | 915 | 51 | None | -91 | 21 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| CHEMBL1201353 | 915 | 51 | None | -91 | 21 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| CHEMBL1554789 | 915 | 51 | None | -91 | 21 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| CHEMBL505 | 915 | 51 | None | -91 | 21 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| DB01114 | 915 | 51 | None | -91 | 21 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| DB13679 | 915 | 51 | None | -91 | 21 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| 44437249 | 11840 | 0 | None | -3 | 5 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 235 | 3 | 0 | 3 | 1.6 | Cc1cc(OCC#CC[N+]2(C)CCCC2)no1 | 10.1016/j.bmc.2007.09.003 | ||
| CHEMBL1182436 | 11840 | 0 | None | -3 | 5 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 235 | 3 | 0 | 3 | 1.6 | Cc1cc(OCC#CC[N+]2(C)CCCC2)no1 | 10.1016/j.bmc.2007.09.003 | ||
| CHEMBL238825 | 11840 | 0 | None | -3 | 5 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 235 | 3 | 0 | 3 | 1.6 | Cc1cc(OCC#CC[N+]2(C)CCCC2)no1 | 10.1016/j.bmc.2007.09.003 | ||
| 10104 | 3540 | 12 | None | -25 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 292 | 5 | 0 | 2 | 4.1 | CN(CCC1=C([C@@H](c2ccccn2)C)c2c(C1)cccc2)C | 10.1021/jm020895l | ||
| 6604866 | 3540 | 12 | None | -25 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 292 | 5 | 0 | 2 | 4.1 | CN(CCC1=C([C@@H](c2ccccn2)C)c2c(C1)cccc2)C | 10.1021/jm020895l | ||
| CHEMBL1493369 | 3540 | 12 | None | -25 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 292 | 5 | 0 | 2 | 4.1 | CN(CCC1=C([C@@H](c2ccccn2)C)c2c(C1)cccc2)C | 10.1021/jm020895l | ||
| 137655636 | 158712 | 0 | None | -354 | 8 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 376 | 7 | 0 | 2 | 4.7 | O=C1CCc2ccccc2N1CCCN1CCC(CCc2ccccc2)CC1 | 10.1021/acs.jmedchem.8b00265 | ||
| CHEMBL4093527 | 158712 | 0 | None | -354 | 8 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 376 | 7 | 0 | 2 | 4.7 | O=C1CCc2ccccc2N1CCCN1CCC(CCc2ccccc2)CC1 | 10.1021/acs.jmedchem.8b00265 | ||
| 44593621 | 193273 | 0 | None | -2 | 5 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 347 | 3 | 0 | 3 | 3.7 | CN1CCC[C@H]1[C@H]1C[S+]([O-])[C@](c2ccccc2)(C2CCCCC2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| CHEMBL524061 | 193273 | 0 | None | -2 | 5 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 347 | 3 | 0 | 3 | 3.7 | CN1CCC[C@H]1[C@H]1C[S+]([O-])[C@](c2ccccc2)(C2CCCCC2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| 57326237 | 77154 | 0 | None | -1 | 5 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 326 | 5 | 0 | 2 | 3.3 | C[N+](C)(C)C[C@@H]1COC[C@H](C(c2ccccc2)c2ccccc2)O1 | 10.1021/jm2013216 | ||
| CHEMBL2042407 | 77154 | 0 | None | -1 | 5 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 326 | 5 | 0 | 2 | 3.3 | C[N+](C)(C)C[C@@H]1COC[C@H](C(c2ccccc2)c2ccccc2)O1 | 10.1021/jm2013216 | ||
| CHEMBL2078985 | 77154 | 0 | None | -1 | 5 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 326 | 5 | 0 | 2 | 3.3 | C[N+](C)(C)C[C@@H]1COC[C@H](C(c2ccccc2)c2ccccc2)O1 | 10.1021/jm2013216 | ||
| 44448419 | 12304 | 0 | None | -1 | 5 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 580 | 16 | 2 | 2 | 7.0 | C[N+](C)(CCCC(O)(c1ccccc1)c1ccccc1)CCC[N+](C)(C)CCCC(O)(c1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2008.03.061 | ||
| CHEMBL1185266 | 12304 | 0 | None | -1 | 5 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 580 | 16 | 2 | 2 | 7.0 | C[N+](C)(CCCC(O)(c1ccccc1)c1ccccc1)CCC[N+](C)(C)CCCC(O)(c1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2008.03.061 | ||
| CHEMBL403592 | 12304 | 0 | None | -1 | 5 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 580 | 16 | 2 | 2 | 7.0 | C[N+](C)(CCCC(O)(c1ccccc1)c1ccccc1)CCC[N+](C)(C)CCCC(O)(c1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2008.03.061 | ||
| 24894515 | 176846 | 4 | None | -1 | 5 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 151 | 1 | 0 | 2 | 2.0 | CN1CCC[C@@H]1c1ccco1 | 10.1021/jm800145d | ||
| CHEMBL461502 | 176846 | 4 | None | -1 | 5 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 151 | 1 | 0 | 2 | 2.0 | CN1CCC[C@@H]1c1ccco1 | 10.1021/jm800145d | ||
| 71575223 | 86188 | 0 | None | -1 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 336 | 6 | 0 | 4 | 3.3 | CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccccn2)C1 | 10.1021/jm301774u | ||
| CHEMBL2312382 | 86188 | 0 | None | -1 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 336 | 6 | 0 | 4 | 3.3 | CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccccn2)C1 | 10.1021/jm301774u | ||
| 4841 | 67397 | 5 | None | -9 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 368 | 7 | 1 | 3 | 3.5 | CC[N+]1(CCOC(=O)C(O)(c2ccccc2)c2ccccc2)CCCCC1 | nan | ||
| CHEMBL1889399 | 67397 | 5 | None | -9 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 368 | 7 | 1 | 3 | 3.5 | CC[N+]1(CCOC(=O)C(O)(c2ccccc2)c2ccccc2)CCCCC1 | nan | ||
| CHEMBL1909073 | 67397 | 5 | None | -9 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 368 | 7 | 1 | 3 | 3.5 | CC[N+]1(CCOC(=O)C(O)(c2ccccc2)c2ccccc2)CCCCC1 | nan | ||
| 137628879 | 160948 | 0 | None | -25 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 950 | 16 | 3 | 9 | 8.1 | CCC(=O)NC1CN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)C1 | 10.1021/acs.jmedchem.6b01892 | ||
| CHEMBL4068393 | 160948 | 0 | None | -25 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 950 | 16 | 3 | 9 | 8.1 | CCC(=O)NC1CN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)C1 | 10.1021/acs.jmedchem.6b01892 | ||
| CHEMBL4079233 | 160948 | 0 | None | -25 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 950 | 16 | 3 | 9 | 8.1 | CCC(=O)NC1CN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)C1 | 10.1021/acs.jmedchem.6b01892 | ||
| CHEMBL4115977 | 160948 | 0 | None | -25 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 950 | 16 | 3 | 9 | 8.1 | CCC(=O)NC1CN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)C1 | 10.1021/acs.jmedchem.6b01892 | ||
| 10871551 | 120485 | 0 | None | -7 | 5 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 340 | 6 | 0 | 2 | 5.2 | CCC(C1=C(CCN(C)C)Cc2cc(Cl)ccc21)c1ccccn1 | 10.1021/jm020895l | ||
| CHEMBL354523 | 120485 | 0 | None | -7 | 5 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 340 | 6 | 0 | 2 | 5.2 | CCC(C1=C(CCN(C)C)Cc2cc(Cl)ccc21)c1ccccn1 | 10.1021/jm020895l | ||
| 44448421 | 12305 | 0 | None | -10 | 5 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 616 | 13 | 2 | 4 | 7.8 | OC(CCCN1CCC(C2CCN(CCCC(O)(c3ccccc3)c3ccccc3)CC2)CC1)(c1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2008.03.061 | ||
| CHEMBL1185269 | 12305 | 0 | None | -10 | 5 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 616 | 13 | 2 | 4 | 7.8 | OC(CCCN1CCC(C2CCN(CCCC(O)(c3ccccc3)c3ccccc3)CC2)CC1)(c1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2008.03.061 | ||
| CHEMBL403773 | 12305 | 0 | None | -10 | 5 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 616 | 13 | 2 | 4 | 7.8 | OC(CCCN1CCC(C2CCN(CCCC(O)(c3ccccc3)c3ccccc3)CC2)CC1)(c1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2008.03.061 | ||
| 24865895 | 95976 | 0 | None | -1 | 5 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 174 | 2 | 0 | 2 | 0.5 | C[C@H]1COC[C@@H](C[N+](C)(C)C)O1 | 10.1021/jm2013216 | ||
| CHEMBL259662 | 95976 | 0 | None | -1 | 5 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 174 | 2 | 0 | 2 | 0.5 | C[C@H]1COC[C@@H](C[N+](C)(C)C)O1 | 10.1021/jm2013216 | ||
| CHEMBL390842 | 95976 | 0 | None | -1 | 5 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 174 | 2 | 0 | 2 | 0.5 | C[C@H]1COC[C@@H](C[N+](C)(C)C)O1 | 10.1021/jm2013216 | ||
| 44422692 | 11821 | 0 | None | -7 | 5 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 174 | 2 | 0 | 2 | 0.5 | CC1COCC(C[N+](C)(C)C)O1 | 10.1016/j.bmcl.2007.11.073 | ||
| CHEMBL1182296 | 11821 | 0 | None | -7 | 5 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 174 | 2 | 0 | 2 | 0.5 | CC1COCC(C[N+](C)(C)C)O1 | 10.1016/j.bmcl.2007.11.073 | ||
| CHEMBL228144 | 11821 | 0 | None | -7 | 5 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 174 | 2 | 0 | 2 | 0.5 | CC1COCC(C[N+](C)(C)C)O1 | 10.1016/j.bmcl.2007.11.073 | ||
| 24865895 | 95976 | 0 | None | -1 | 5 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 174 | 2 | 0 | 2 | 0.5 | C[C@H]1COC[C@@H](C[N+](C)(C)C)O1 | 10.1016/j.bmc.2009.10.027 | ||
| CHEMBL259662 | 95976 | 0 | None | -1 | 5 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 174 | 2 | 0 | 2 | 0.5 | C[C@H]1COC[C@@H](C[N+](C)(C)C)O1 | 10.1016/j.bmc.2009.10.027 | ||
| CHEMBL390842 | 95976 | 0 | None | -1 | 5 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 174 | 2 | 0 | 2 | 0.5 | C[C@H]1COC[C@@H](C[N+](C)(C)C)O1 | 10.1016/j.bmc.2009.10.027 | ||
| 24865895 | 95976 | 0 | None | -1 | 5 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 174 | 2 | 0 | 2 | 0.5 | C[C@H]1COC[C@@H](C[N+](C)(C)C)O1 | 10.1016/j.bmcl.2014.06.020 | ||
| CHEMBL259662 | 95976 | 0 | None | -1 | 5 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 174 | 2 | 0 | 2 | 0.5 | C[C@H]1COC[C@@H](C[N+](C)(C)C)O1 | 10.1016/j.bmcl.2014.06.020 | ||
| CHEMBL390842 | 95976 | 0 | None | -1 | 5 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 174 | 2 | 0 | 2 | 0.5 | C[C@H]1COC[C@@H](C[N+](C)(C)C)O1 | 10.1016/j.bmcl.2014.06.020 | ||
| 4746 | 204868 | 31 | None | -1 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 277 | 4 | 1 | 1 | 5.3 | C1CCC(C(CC2CCCCN2)C2CCCCC2)CC1 | nan | ||
| CHEMBL1334033 | 204868 | 31 | None | -1 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 277 | 4 | 1 | 1 | 5.3 | C1CCC(C(CC2CCCCN2)C2CCCCC2)CC1 | nan | ||
| CHEMBL75880 | 204868 | 31 | None | -1 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 277 | 4 | 1 | 1 | 5.3 | C1CCC(C(CC2CCCCN2)C2CCCCC2)CC1 | nan | ||
| 21855 | 84217 | 42 | None | -27 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 292 | 5 | 0 | 2 | 4.1 | CC(C1=C(CCN(C)C)Cc2ccccc21)c1ccccn1 | 10.1016/s0960-894x(01)00186-x | ||
| CHEMBL22108 | 84217 | 42 | None | -27 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 292 | 5 | 0 | 2 | 4.1 | CC(C1=C(CCN(C)C)Cc2ccccc21)c1ccccn1 | 10.1016/s0960-894x(01)00186-x | ||
| 75306277 | 109227 | 0 | None | -398 | 23 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 308 | 0 | 0 | 3 | 4.2 | CN1CCC2C(C1)c1cccc3c1N2c1ccccc1CS3 | 10.1039/C2MD00311B | ||
| CHEMBL3217984 | 109227 | 0 | None | -398 | 23 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 308 | 0 | 0 | 3 | 4.2 | CN1CCC2C(C1)c1cccc3c1N2c1ccccc1CS3 | 10.1039/C2MD00311B | ||
| 11011332 | 120776 | 1 | None | -2 | 5 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 278 | 5 | 0 | 2 | 3.6 | CN(C)CCC1=C(Cc2cccnc2)c2ccccc2C1 | 10.1021/jm020895l | ||
| CHEMBL355560 | 120776 | 1 | None | -2 | 5 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 278 | 5 | 0 | 2 | 3.6 | CN(C)CCC1=C(Cc2cccnc2)c2ccccc2C1 | 10.1021/jm020895l | ||
| 164614994 | 188478 | 0 | None | -660 | 5 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 930 | 23 | 9 | 12 | 0.9 | CC(=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(C(=O)CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4850553 | 188478 | 0 | None | -660 | 5 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 930 | 23 | 9 | 12 | 0.9 | CC(=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(C(=O)CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028287 | 188478 | 0 | None | -660 | 5 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 930 | 23 | 9 | 12 | 0.9 | CC(=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(C(=O)CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 137635734 | 156088 | 0 | None | -275 | 8 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 377 | 7 | 0 | 3 | 3.2 | O=C1CCc2ccccc2N1CCCN1CCN(CCc2ccccc2)CC1 | 10.1021/acs.jmedchem.8b00265 | ||
| CHEMBL4063176 | 156088 | 0 | None | -275 | 8 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 377 | 7 | 0 | 3 | 3.2 | O=C1CCc2ccccc2N1CCCN1CCN(CCc2ccccc2)CC1 | 10.1021/acs.jmedchem.8b00265 | ||
| 12488 | 1644 | 56 | None | -12 | 23 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 404 | 6 | 0 | 2 | 5.4 | C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F | nan | ||
| 941361 | 1644 | 56 | None | -12 | 23 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 404 | 6 | 0 | 2 | 5.4 | C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F | nan | ||
| CHEMBL30008 | 1644 | 56 | None | -12 | 23 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 404 | 6 | 0 | 2 | 5.4 | C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F | nan | ||
| DB04841 | 1644 | 56 | None | -12 | 23 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 404 | 6 | 0 | 2 | 5.4 | C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F | nan | ||
| 2745 | 3832 | 42 | None | -35 | 9 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | nan | ||
| 5572 | 3832 | 42 | None | -35 | 9 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | nan | ||
| 66007 | 3832 | 42 | None | -35 | 9 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | nan | ||
| 7315 | 3832 | 42 | None | -35 | 9 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | nan | ||
| CHEMBL1490 | 3832 | 42 | None | -35 | 9 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | nan | ||
| DB00376 | 3832 | 42 | None | -35 | 9 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | nan | ||
| 118719923 | 115751 | 0 | None | -1 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 621 | 18 | 0 | 7 | 7.6 | CN1CCC=C(c2nsnc2OCCCCCCCCCCCC2CCN(CCCN3C(=O)CCc4ccccc43)CC2)C1 | 10.1021/jm501173q | ||
| CHEMBL3354070 | 115751 | 0 | None | -1 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 621 | 18 | 0 | 7 | 7.6 | CN1CCC=C(c2nsnc2OCCCCCCCCCCCC2CCN(CCCN3C(=O)CCc4ccccc43)CC2)C1 | 10.1021/jm501173q | ||
| 3652 | 4066 | 79 | None | -13 | 18 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm100697g | ||
| 57 | 4066 | 79 | None | -13 | 18 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm100697g | ||
| 60809 | 4066 | 79 | None | -13 | 18 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm100697g | ||
| CHEMBL21536 | 4066 | 79 | None | -13 | 18 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm100697g | ||
| DB15357 | 4066 | 79 | None | -13 | 18 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm100697g | ||
| 155521847 | 170663 | 0 | None | 3 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 418 | 5 | 0 | 3 | 5.3 | O=C(OCCc1ccc(Cl)c(Cl)c1)N(c1ccccc1)C1CN2CCC1CC2 | 10.1016/j.bmcl.2018.12.022 | ||
| CHEMBL4451770 | 170663 | 0 | None | 3 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 418 | 5 | 0 | 3 | 5.3 | O=C(OCCc1ccc(Cl)c(Cl)c1)N(c1ccccc1)C1CN2CCC1CC2 | 10.1016/j.bmcl.2018.12.022 | ||
| 71575550 | 86179 | 0 | None | 4 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 339 | 5 | 0 | 3 | 3.7 | CN1CCC(c2ccccc2)=C(C(=O)OCCc2cccc(F)c2)C1 | 10.1021/jm301774u | ||
| CHEMBL2312370 | 86179 | 0 | None | 4 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 339 | 5 | 0 | 3 | 3.7 | CN1CCC(c2ccccc2)=C(C(=O)OCCc2cccc(F)c2)C1 | 10.1021/jm301774u | ||
| 66561967 | 74675 | 0 | None | -1 | 7 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 213 | 2 | 0 | 1 | 2.0 | C1CC2CCC1N2CC12C3C4C5C3C1C5C42 | 10.1016/j.bmcl.2012.04.077 | ||
| CHEMBL2030626 | 74675 | 0 | None | -1 | 7 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 213 | 2 | 0 | 1 | 2.0 | C1CC2CCC1N2CC12C3C4C5C3C1C5C42 | 10.1016/j.bmcl.2012.04.077 | ||
| 57326325 | 77155 | 0 | None | -2 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 297 | 4 | 0 | 3 | 2.9 | CN(C)C[C@@H]1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm2013216 | ||
| CHEMBL2042554 | 77155 | 0 | None | -2 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 297 | 4 | 0 | 3 | 2.9 | CN(C)C[C@@H]1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm2013216 | ||
| CHEMBL2078987 | 77155 | 0 | None | -2 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 297 | 4 | 0 | 3 | 2.9 | CN(C)C[C@@H]1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm2013216 | ||
| 57326325 | 77155 | 0 | None | -2 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 297 | 4 | 0 | 3 | 2.9 | CN(C)C[C@@H]1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.ejmech.2017.06.004 | ||
| CHEMBL2042554 | 77155 | 0 | None | -2 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 297 | 4 | 0 | 3 | 2.9 | CN(C)C[C@@H]1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.ejmech.2017.06.004 | ||
| CHEMBL2078987 | 77155 | 0 | None | -2 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 297 | 4 | 0 | 3 | 2.9 | CN(C)C[C@@H]1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.ejmech.2017.06.004 | ||
| 44593622 | 187772 | 0 | None | -3 | 5 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 356 | 3 | 0 | 2 | 3.3 | C[N+]1(C)CCC[C@@H]1[C@@H]1C[S+]([O-])C(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| CHEMBL495888 | 187772 | 0 | None | -3 | 5 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 356 | 3 | 0 | 2 | 3.3 | C[N+]1(C)CCC[C@@H]1[C@@H]1C[S+]([O-])C(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| CHEMBL556390 | 187772 | 0 | None | -3 | 5 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 356 | 3 | 0 | 2 | 3.3 | C[N+]1(C)CCC[C@@H]1[C@@H]1C[S+]([O-])C(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| 2733619 | 11879 | 8 | None | -2 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 451 | 16 | 0 | 1 | 6.8 | CCCCN(CCCC)c1ccc(/C=C/c2cc[n+](CCC[N+](CC)(CC)CC)cc2)cc1 | 10.1016/j.bmcl.2007.11.022 | ||
| 6508725 | 11879 | 8 | None | -2 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 451 | 16 | 0 | 1 | 6.8 | CCCCN(CCCC)c1ccc(/C=C/c2cc[n+](CCC[N+](CC)(CC)CC)cc2)cc1 | 10.1016/j.bmcl.2007.11.022 | ||
| CHEMBL1182634 | 11879 | 8 | None | -2 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 451 | 16 | 0 | 1 | 6.8 | CCCCN(CCCC)c1ccc(/C=C/c2cc[n+](CCC[N+](CC)(CC)CC)cc2)cc1 | 10.1016/j.bmcl.2007.11.022 | ||
| CHEMBL257431 | 11879 | 8 | None | -2 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 451 | 16 | 0 | 1 | 6.8 | CCCCN(CCCC)c1ccc(/C=C/c2cc[n+](CCC[N+](CC)(CC)CC)cc2)cc1 | 10.1016/j.bmcl.2007.11.022 | ||
| 129989 | 450 | 51 | None | -138 | 9 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 463 | 9 | 1 | 5 | 4.5 | CCN(CCCCC1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | 10.1021/acs.jmedchem.8b01967 | ||
| 8584 | 450 | 51 | None | -138 | 9 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 463 | 9 | 1 | 5 | 4.5 | CCN(CCCCC1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL43383 | 450 | 51 | None | -138 | 9 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 463 | 9 | 1 | 5 | 4.5 | CCN(CCCCC1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | 10.1021/acs.jmedchem.8b01967 | ||
| 44448417 | 11877 | 0 | None | -1 | 5 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 550 | 16 | 2 | 4 | 6.7 | CN(CCCN(C)CCCC(O)(c1ccccc1)c1ccccc1)CCCC(O)(c1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2008.03.061 | ||
| CHEMBL1182629 | 11877 | 0 | None | -1 | 5 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 550 | 16 | 2 | 4 | 6.7 | CN(CCCN(C)CCCC(O)(c1ccccc1)c1ccccc1)CCCC(O)(c1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2008.03.061 | ||
| CHEMBL256923 | 11877 | 0 | None | -1 | 5 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 550 | 16 | 2 | 4 | 6.7 | CN(CCCN(C)CCCC(O)(c1ccccc1)c1ccccc1)CCCC(O)(c1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2008.03.061 | ||
| 46227481 | 14107 | 0 | None | -1 | 5 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 202 | 2 | 0 | 2 | 1.3 | C[C@H]1O[C@H](C[N+](C)(C)C)COC1(C)C | 10.1016/j.bmc.2009.10.027 | ||
| CHEMBL1198081 | 14107 | 0 | None | -1 | 5 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 202 | 2 | 0 | 2 | 1.3 | C[C@H]1O[C@H](C[N+](C)(C)C)COC1(C)C | 10.1016/j.bmc.2009.10.027 | ||
| CHEMBL595022 | 14107 | 0 | None | -1 | 5 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 202 | 2 | 0 | 2 | 1.3 | C[C@H]1O[C@H](C[N+](C)(C)C)COC1(C)C | 10.1016/j.bmc.2009.10.027 | ||
| 9894173 | 15118 | 4 | None | -95 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 565 | 6 | 1 | 5 | 5.6 | Cc1cccc(C(=O)N2CCC(N3CCC(Cc4ccc(S(=O)(=O)c5cccc(Cl)c5)cc4)CC3)CC2)c1N | 10.1021/jm301774u | ||
| CHEMBL12098 | 15118 | 4 | None | -95 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 565 | 6 | 1 | 5 | 5.6 | Cc1cccc(C(=O)N2CCC(N3CCC(Cc4ccc(S(=O)(=O)c5cccc(Cl)c5)cc4)CC3)CC2)c1N | 10.1021/jm301774u | ||
| 24882532 | 95088 | 0 | None | -6 | 5 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 363 | 6 | 1 | 3 | 4.4 | CCN1CCN(c2ccc(NC(=O)CCC3CCCC3)cc2Cl)CC1 | 10.1016/j.bmcl.2007.12.051 | ||
| CHEMBL255523 | 95088 | 0 | None | -6 | 5 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 363 | 6 | 1 | 3 | 4.4 | CCN1CCN(c2ccc(NC(=O)CCC3CCCC3)cc2Cl)CC1 | 10.1016/j.bmcl.2007.12.051 | ||
| 118719928 | 115756 | 0 | None | -5 | 5 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 414 | 13 | 1 | 3 | 5.2 | O=C1CCc2ccccc2N1CCCN1CCC(CCCCCCCCCO)CC1 | 10.1021/jm501173q | ||
| CHEMBL3354075 | 115756 | 0 | None | -5 | 5 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 414 | 13 | 1 | 3 | 5.2 | O=C1CCc2ccccc2N1CCCN1CCC(CCCCCCCCCO)CC1 | 10.1021/jm501173q | ||
| 3055 | 1421 | 44 | None | -3 | 9 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 309 | 6 | 1 | 2 | 4.2 | OC(c1ccccc1)(c1ccccc1)CCCN1CCCCC1 | nan | ||
| 313 | 1421 | 44 | None | -3 | 9 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 309 | 6 | 1 | 2 | 4.2 | OC(c1ccccc1)(c1ccccc1)CCCN1CCCCC1 | nan | ||
| 7163 | 1421 | 44 | None | -3 | 9 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 309 | 6 | 1 | 2 | 4.2 | OC(c1ccccc1)(c1ccccc1)CCCN1CCCCC1 | nan | ||
| CHEMBL936 | 1421 | 44 | None | -3 | 9 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 309 | 6 | 1 | 2 | 4.2 | OC(c1ccccc1)(c1ccccc1)CCCN1CCCCC1 | nan | ||
| DB01231 | 1421 | 44 | None | -3 | 9 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 309 | 6 | 1 | 2 | 4.2 | OC(c1ccccc1)(c1ccccc1)CCCN1CCCCC1 | nan | ||
| 11808040 | 168371 | 0 | None | -7 | 6 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 278 | 4 | 0 | 2 | 3.8 | CC(C1=C(CN(C)C)Cc2ccccc21)c1ccccn1 | 10.1021/jm020895l | ||
| CHEMBL434684 | 168371 | 0 | None | -7 | 6 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 278 | 4 | 0 | 2 | 3.8 | CC(C1=C(CN(C)C)Cc2ccccc21)c1ccccn1 | 10.1021/jm020895l | ||
| 118710660 | 120805 | 0 | None | -2 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 432 | 11 | 1 | 3 | 3.7 | C[N+](C)(C)CCCCCC[N+]1(C)[C@@H]2CC[C@@H]1CC(OC(=O)C(CO)c1ccccc1)C2 | 10.1021/jm500790x | ||
| CHEMBL3323279 | 120805 | 0 | None | -2 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 432 | 11 | 1 | 3 | 3.7 | C[N+](C)(C)CCCCCC[N+]1(C)[C@@H]2CC[C@@H]1CC(OC(=O)C(CO)c1ccccc1)C2 | 10.1021/jm500790x | ||
| CHEMBL3558230 | 120805 | 0 | None | -2 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 432 | 11 | 1 | 3 | 3.7 | C[N+](C)(C)CCCCCC[N+]1(C)[C@@H]2CC[C@@H]1CC(OC(=O)C(CO)c1ccccc1)C2 | 10.1021/jm500790x | ||
| 122194370 | 123979 | 0 | None | -1 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 353 | 6 | 0 | 4 | 3.4 | COc1ccc(CCOC(=O)C2(c3ccccc3)CCN(C)CC2)cc1 | 10.1016/j.bmcl.2015.10.029 | ||
| CHEMBL3629530 | 123979 | 0 | None | -1 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 353 | 6 | 0 | 4 | 3.4 | COc1ccc(CCOC(=O)C2(c3ccccc3)CCN(C)CC2)cc1 | 10.1016/j.bmcl.2015.10.029 | ||
| 164613559 | 188462 | 0 | None | -2754 | 5 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 874 | 21 | 9 | 12 | 0.2 | CC(=O)N[C@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCNC(=N)N)NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4856659 | 188462 | 0 | None | -2754 | 5 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 874 | 21 | 9 | 12 | 0.2 | CC(=O)N[C@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCNC(=N)N)NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028196 | 188462 | 0 | None | -2754 | 5 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 874 | 21 | 9 | 12 | 0.2 | CC(=O)N[C@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCNC(=N)N)NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 156015895 | 178257 | 0 | None | -6 | 5 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 993 | 21 | 2 | 8 | 10.7 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)c3ccccc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL4643290 | 178257 | 0 | None | -6 | 5 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 993 | 21 | 2 | 8 | 10.7 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)c3ccccc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL4650874 | 178257 | 0 | None | -6 | 5 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 993 | 21 | 2 | 8 | 10.7 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)c3ccccc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| 44627958 | 14004 | 0 | None | -2 | 5 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 354 | 4 | 1 | 2 | 5.0 | C[N+]1(C)CCC[C@H]1c1ccc([C@@](O)(c2ccccc2)C2CCCCC2)o1 | 10.1021/jm901048j | ||
| CHEMBL1197374 | 14004 | 0 | None | -2 | 5 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 354 | 4 | 1 | 2 | 5.0 | C[N+]1(C)CCC[C@H]1c1ccc([C@@](O)(c2ccccc2)C2CCCCC2)o1 | 10.1021/jm901048j | ||
| CHEMBL569089 | 14004 | 0 | None | -2 | 5 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 354 | 4 | 1 | 2 | 5.0 | C[N+]1(C)CCC[C@H]1c1ccc([C@@](O)(c2ccccc2)C2CCCCC2)o1 | 10.1021/jm901048j | ||
| 164622564 | 188537 | 0 | None | -35 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 902 | 21 | 9 | 12 | 0.2 | CC(=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(C(=O)CC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4862221 | 188537 | 0 | None | -35 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 902 | 21 | 9 | 12 | 0.2 | CC(=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(C(=O)CC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028706 | 188537 | 0 | None | -35 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 902 | 21 | 9 | 12 | 0.2 | CC(=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(C(=O)CC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 44446841 | 12306 | 0 | None | -4 | 4 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 174 | 2 | 0 | 2 | 0.5 | C[C@@H]1COC[C@@H](C[N+](C)(C)C)O1 | 10.1016/j.bmcl.2007.11.073 | ||
| CHEMBL1185281 | 12306 | 0 | None | -4 | 4 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 174 | 2 | 0 | 2 | 0.5 | C[C@@H]1COC[C@@H](C[N+](C)(C)C)O1 | 10.1016/j.bmcl.2007.11.073 | ||
| CHEMBL404557 | 12306 | 0 | None | -4 | 4 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 174 | 2 | 0 | 2 | 0.5 | C[C@@H]1COC[C@@H](C[N+](C)(C)C)O1 | 10.1016/j.bmcl.2007.11.073 | ||
| 43815 | 186896 | 64 | None | -14 | 25 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 329 | 4 | 1 | 4 | 3.3 | Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1 | nan | ||
| CHEMBL1708 | 186896 | 64 | None | -14 | 25 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 329 | 4 | 1 | 4 | 3.3 | Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1 | nan | ||
| CHEMBL490 | 186896 | 64 | None | -14 | 25 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 329 | 4 | 1 | 4 | 3.3 | Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1 | nan | ||
| 44207909 | 16667 | 3 | None | -33 | 9 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 407 | 7 | 1 | 4 | 2.6 | O=C(Cc1ccccc1)NC1CCN(CCCN2C(=O)COc3ccccc32)CC1 | 10.1021/jm100697g | ||
| CHEMBL1242923 | 16667 | 3 | None | -33 | 9 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 407 | 7 | 1 | 4 | 2.6 | O=C(Cc1ccccc1)NC1CCN(CCCN2C(=O)COc3ccccc32)CC1 | 10.1021/jm100697g | ||
| 11131099 | 120235 | 0 | None | -8 | 5 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 322 | 6 | 0 | 3 | 4.2 | COc1ccc2c(c1)C(C(C)c1ccccn1)=C(CCN(C)C)C2 | 10.1021/jm020895l | ||
| CHEMBL352404 | 120235 | 0 | None | -8 | 5 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 322 | 6 | 0 | 3 | 4.2 | COc1ccc2c(c1)C(C(C)c1ccccn1)=C(CCN(C)C)C2 | 10.1021/jm020895l | ||
| 156015045 | 178241 | 0 | None | -21 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 376 | 5 | 0 | 4 | 2.7 | C[N+](C)(C)C[C@@H]1CO[C@H](c2ccc(S(=O)(=O)c3ccccc3)cc2)CO1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4648218 | 178241 | 0 | None | -21 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 376 | 5 | 0 | 4 | 2.7 | C[N+](C)(C)C[C@@H]1CO[C@H](c2ccc(S(=O)(=O)c3ccccc3)cc2)CO1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4650765 | 178241 | 0 | None | -21 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 376 | 5 | 0 | 4 | 2.7 | C[N+](C)(C)C[C@@H]1CO[C@H](c2ccc(S(=O)(=O)c3ccccc3)cc2)CO1 | 10.1021/acs.jmedchem.9b02100 | ||
| 3652 | 4066 | 79 | None | -13 | 18 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm501173q | ||
| 57 | 4066 | 79 | None | -13 | 18 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm501173q | ||
| 60809 | 4066 | 79 | None | -13 | 18 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm501173q | ||
| CHEMBL21536 | 4066 | 79 | None | -13 | 18 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm501173q | ||
| DB15357 | 4066 | 79 | None | -13 | 18 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm501173q | ||
| 135398737 | 955 | 93 | None | -8 | 92 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | ||
| 38 | 955 | 93 | None | -8 | 92 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | ||
| 722 | 955 | 93 | None | -8 | 92 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | ||
| CHEMBL42 | 955 | 93 | None | -8 | 92 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | ||
| DB00363 | 955 | 93 | None | -8 | 92 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | ||
| CHEMBL5283759 | 194205 | 0 | None | -2 | 5 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 1024 | 19 | 1 | 13 | 9.4 | CN(C)c1ccc2c(-c3ccc(-c4cn(CCCCCn5cc(CCCCCN6CCC(OC(=O)Nc7ccc(F)cc7-c7ccc(F)c(Cl)c7)CC6)nn5)nn4)cc3C(=O)[O-])c3ccc(=[N+](C)C)cc-3oc2c1 | 10.1021/acs.jmedchem.2c01376 | ||
| 44593623 | 187856 | 0 | None | -2 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 356 | 3 | 0 | 2 | 3.3 | C[N+]1(C)CCC[C@H]1[C@H]1C[S+]([O-])C(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| CHEMBL496503 | 187856 | 0 | None | -2 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 356 | 3 | 0 | 2 | 3.3 | C[N+]1(C)CCC[C@H]1[C@H]1C[S+]([O-])C(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| CHEMBL539373 | 187856 | 0 | None | -2 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 356 | 3 | 0 | 2 | 3.3 | C[N+]1(C)CCC[C@H]1[C@H]1C[S+]([O-])C(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| 10925451 | 58742 | 0 | None | -2 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 326 | 5 | 0 | 2 | 4.8 | CC(C1=C(CCN(C)C)Cc2ccc(Cl)cc21)c1ccccn1 | 10.1021/jm020895l | ||
| CHEMBL168707 | 58742 | 0 | None | -2 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 326 | 5 | 0 | 2 | 4.8 | CC(C1=C(CCN(C)C)Cc2ccc(Cl)cc21)c1ccccn1 | 10.1021/jm020895l | ||
| 164622017 | 188534 | 0 | None | -102 | 4 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 917 | 22 | 10 | 13 | -0.9 | CC(=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4871563 | 188534 | 0 | None | -102 | 4 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 917 | 22 | 10 | 13 | -0.9 | CC(=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028681 | 188534 | 0 | None | -102 | 4 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 917 | 22 | 10 | 13 | -0.9 | CC(=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 137636308 | 156178 | 0 | None | -28 | 8 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 329 | 7 | 0 | 3 | 2.8 | CCCCN1CCN(CCCN2C(=O)CCc3ccccc32)CC1 | 10.1021/acs.jmedchem.8b00265 | ||
| CHEMBL4064222 | 156178 | 0 | None | -28 | 8 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 329 | 7 | 0 | 3 | 2.8 | CCCCN1CCN(CCCN2C(=O)CCc3ccccc32)CC1 | 10.1021/acs.jmedchem.8b00265 | ||
| 71450550 | 83778 | 0 | None | -1 | 16 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 309 | 4 | 1 | 3 | 2.0 | COc1ccccc1CCN1C2C3C4CC5C6C4C2C6C1(O)C53 | 10.1016/j.bmcl.2012.08.046 | ||
| CHEMBL2205836 | 83778 | 0 | None | -1 | 16 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 309 | 4 | 1 | 3 | 2.0 | COc1ccccc1CCN1C2C3C4CC5C6C4C2C6C1(O)C53 | 10.1016/j.bmcl.2012.08.046 | ||
| 71457691 | 83770 | 0 | None | -2 | 10 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 295 | 3 | 1 | 3 | 2.0 | COc1ccccc1CN1C2C3C4CC5C6C4C2C6C1(O)C53 | 10.1016/j.bmcl.2012.08.046 | ||
| CHEMBL2205823 | 83770 | 0 | None | -2 | 10 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 295 | 3 | 1 | 3 | 2.0 | COc1ccccc1CN1C2C3C4CC5C6C4C2C6C1(O)C53 | 10.1016/j.bmcl.2012.08.046 | ||
| 2229 | 463 | 22 | None | -2 | 6 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 179 | 2 | 0 | 3 | 0.4 | CN1CC(=CCC1)C(=O)OCC#C | 10.1021/jm0510878 | ||
| 295 | 463 | 22 | None | -2 | 6 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 179 | 2 | 0 | 3 | 0.4 | CN1CC(=CCC1)C(=O)OCC#C | 10.1021/jm0510878 | ||
| CHEMBL128365 | 463 | 22 | None | -2 | 6 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 179 | 2 | 0 | 3 | 0.4 | CN1CC(=CCC1)C(=O)OCC#C | 10.1021/jm0510878 | ||
| 46227555 | 14099 | 1 | None | -8 | 4 | Human | 4.0 | pKi | = | 4.0 | Binding | ChEMBL | 174 | 2 | 0 | 2 | 0.5 | C[C@@H]1CO[C@H](C[N+](C)(C)C)CO1 | 10.1016/j.bmc.2009.10.027 | ||
| CHEMBL1198062 | 14099 | 1 | None | -8 | 4 | Human | 4.0 | pKi | = | 4.0 | Binding | ChEMBL | 174 | 2 | 0 | 2 | 0.5 | C[C@@H]1CO[C@H](C[N+](C)(C)C)CO1 | 10.1016/j.bmc.2009.10.027 | ||
| CHEMBL594376 | 14099 | 1 | None | -8 | 4 | Human | 4.0 | pKi | = | 4.0 | Binding | ChEMBL | 174 | 2 | 0 | 2 | 0.5 | C[C@@H]1CO[C@H](C[N+](C)(C)C)CO1 | 10.1016/j.bmc.2009.10.027 | ||
| 10092649 | 193049 | 56 | None | -85 | 9 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 404 | 4 | 1 | 4 | 3.9 | Cc1ccccc1CN1CCC(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1 | 10.1021/jm100697g | ||
| CHEMBL522460 | 193049 | 56 | None | -85 | 9 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 404 | 4 | 1 | 4 | 3.9 | Cc1ccccc1CN1CCC(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1 | 10.1021/jm100697g | ||
| 16086063 | 80533 | 0 | None | -4897 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 744 | 11 | 2 | 5 | 5.8 | O=C(NCC1CCN(CC2CCCC2)CC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1 | 10.1021/jm051205r | ||
| CHEMBL214898 | 80533 | 0 | None | -4897 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 744 | 11 | 2 | 5 | 5.8 | O=C(NCC1CCN(CC2CCCC2)CC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1 | 10.1021/jm051205r | ||
| 155556290 | 176432 | 0 | None | -549 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 923 | 22 | 7 | 11 | 3.1 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4554682 | 176432 | 0 | None | -549 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 923 | 22 | 7 | 11 | 3.1 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4596434 | 176432 | 0 | None | -549 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 923 | 22 | 7 | 11 | 3.1 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| 16086005 | 139206 | 0 | None | -794 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 724 | 10 | 3 | 5 | 5.8 | O=C(NCCC1CCNCC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1 | 10.1021/jm051205r | ||
| CHEMBL378859 | 139206 | 0 | None | -794 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 724 | 10 | 3 | 5 | 5.8 | O=C(NCCC1CCNCC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1 | 10.1021/jm051205r | ||
| 44448538 | 12387 | 0 | None | -3 | 5 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 339 | 6 | 1 | 2 | 3.1 | C[N+]1(C)CCN(CCCC(O)(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2008.03.061 | ||
| CHEMBL1185855 | 12387 | 0 | None | -3 | 5 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 339 | 6 | 1 | 2 | 3.1 | C[N+]1(C)CCN(CCCC(O)(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2008.03.061 | ||
| CHEMBL436850 | 12387 | 0 | None | -3 | 5 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 339 | 6 | 1 | 2 | 3.1 | C[N+]1(C)CCN(CCCC(O)(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2008.03.061 | ||
| 24894637 | 188695 | 0 | None | -3 | 5 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 180 | 1 | 0 | 1 | 2.5 | Cc1ccc([C@H]2CCC[N+]2(C)C)o1 | 10.1021/jm800145d | ||
| CHEMBL504733 | 188695 | 0 | None | -3 | 5 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 180 | 1 | 0 | 1 | 2.5 | Cc1ccc([C@H]2CCC[N+]2(C)C)o1 | 10.1021/jm800145d | ||
| CHEMBL553434 | 188695 | 0 | None | -3 | 5 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 180 | 1 | 0 | 1 | 2.5 | Cc1ccc([C@H]2CCC[N+]2(C)C)o1 | 10.1021/jm800145d | ||
| 124 | 2960 | 47 | None | -109 | 33 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | nan | ||
| 2032 | 2960 | 47 | None | -109 | 33 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | nan | ||
| 4636 | 2960 | 47 | None | -109 | 33 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | nan | ||
| CHEMBL762 | 2960 | 47 | None | -109 | 33 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | nan | ||
| DB00935 | 2960 | 47 | None | -109 | 33 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | nan | ||
| 2335 | 11816 | 22 | None | -1 | 12 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | nan | ||
| 8478 | 11816 | 22 | None | -1 | 12 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | nan | ||
| CHEMBL1182210 | 11816 | 22 | None | -1 | 12 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | nan | ||
| CHEMBL221753 | 11816 | 22 | None | -1 | 12 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | nan | ||
| 9885114 | 119578 | 5 | None | -223 | 12 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 357 | 3 | 1 | 4 | 3.0 | O=C1COc2cc(CN3CCN(c4ccc(Cl)cc4)CC3)ccc2N1 | 10.1021/jm990277d | ||
| CHEMBL346389 | 119578 | 5 | None | -223 | 12 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 357 | 3 | 1 | 4 | 3.0 | O=C1COc2cc(CN3CCN(c4ccc(Cl)cc4)CC3)ccc2N1 | 10.1021/jm990277d | ||
| 9885114 | 119578 | 5 | None | -223 | 12 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 357 | 3 | 1 | 4 | 3.0 | O=C1COc2cc(CN3CCN(c4ccc(Cl)cc4)CC3)ccc2N1 | 10.1021/acs.jmedchem.7b00151 | ||
| CHEMBL346389 | 119578 | 5 | None | -223 | 12 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 357 | 3 | 1 | 4 | 3.0 | O=C1COc2cc(CN3CCN(c4ccc(Cl)cc4)CC3)ccc2N1 | 10.1021/acs.jmedchem.7b00151 | ||
| 44627739 | 198349 | 0 | None | -3 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 333 | 4 | 1 | 3 | 4.3 | CN1CCCC1c1ccc(C(O)(c2ccccc2)c2ccccc2)o1 | 10.1021/jm901048j | ||
| CHEMBL576663 | 198349 | 0 | None | -3 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 333 | 4 | 1 | 3 | 4.3 | CN1CCCC1c1ccc(C(O)(c2ccccc2)c2ccccc2)o1 | 10.1021/jm901048j | ||
| 49783209 | 17577 | 0 | None | -1698 | 27 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 396 | 7 | 1 | 6 | 3.8 | CCCCN1CCC(COC(=O)c2cc(Cl)c(NC)c3c2OCCO3)CC1 | 10.1021/jm100668r | ||
| CHEMBL1258223 | 17577 | 0 | None | -1698 | 27 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 396 | 7 | 1 | 6 | 3.8 | CCCCN1CCC(COC(=O)c2cc(Cl)c(NC)c3c2OCCO3)CC1 | 10.1021/jm100668r | ||
| 1209 | 1645 | 75 | None | -45 | 32 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | nan | ||
| 203 | 1645 | 75 | None | -45 | 32 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | nan | ||
| 3386 | 1645 | 75 | None | -45 | 32 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | nan | ||
| CHEMBL41 | 1645 | 75 | None | -45 | 32 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | nan | ||
| DB00472 | 1645 | 75 | None | -45 | 32 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | nan | ||
| 10043954 | 82249 | 0 | None | -3 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 358 | 3 | 0 | 4 | 3.7 | O=C(OC1CN2CCC1CC2)C1=C/C(=C\c2ccccn2)c2ccccc21 | 10.1016/s0960-894x(01)00186-x | ||
| CHEMBL21716 | 82249 | 0 | None | -3 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 358 | 3 | 0 | 4 | 3.7 | O=C(OC1CN2CCC1CC2)C1=C/C(=C\c2ccccn2)c2ccccc21 | 10.1016/s0960-894x(01)00186-x | ||
| 155521383 | 176402 | 0 | None | -87 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 604 | 13 | 6 | 6 | 2.7 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4450522 | 176402 | 0 | None | -87 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 604 | 13 | 6 | 6 | 2.7 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4596184 | 176402 | 0 | None | -87 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 604 | 13 | 6 | 6 | 2.7 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| 187 | 255 | 39 | None | -25 | 9 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1016/j.bmcl.2007.11.073 | ||
| 294 | 255 | 39 | None | -25 | 9 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1016/j.bmcl.2007.11.073 | ||
| 65 | 255 | 39 | None | -25 | 9 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1016/j.bmcl.2007.11.073 | ||
| 8593 | 255 | 39 | None | -25 | 9 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1016/j.bmcl.2007.11.073 | ||
| CHEMBL667 | 255 | 39 | None | -25 | 9 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1016/j.bmcl.2007.11.073 | ||
| DB03128 | 255 | 39 | None | -25 | 9 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1016/j.bmcl.2007.11.073 | ||
| 46227455 | 14138 | 0 | None | -4 | 2 | Human | 4.0 | pKi | = | 4.0 | Binding | ChEMBL | 188 | 2 | 0 | 2 | 0.9 | C[C@@H]1O[C@H](C[N+](C)(C)C)CO[C@@H]1C | 10.1016/j.bmc.2009.10.027 | ||
| CHEMBL1198609 | 14138 | 0 | None | -4 | 2 | Human | 4.0 | pKi | = | 4.0 | Binding | ChEMBL | 188 | 2 | 0 | 2 | 0.9 | C[C@@H]1O[C@H](C[N+](C)(C)C)CO[C@@H]1C | 10.1016/j.bmc.2009.10.027 | ||
| CHEMBL608985 | 14138 | 0 | None | -4 | 2 | Human | 4.0 | pKi | = | 4.0 | Binding | ChEMBL | 188 | 2 | 0 | 2 | 0.9 | C[C@@H]1O[C@H](C[N+](C)(C)C)CO[C@@H]1C | 10.1016/j.bmc.2009.10.027 | ||
| CHEMBL306462 | 102938 | 0 | None | 1 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 211 | 2 | 1 | 4 | 1.1 | CCO/C(O)=C1\CN2CCCC(C2)C1=O | 10.1021/jm020572p | ||
| 135 | 2515 | 43 | None | - | 58 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | Drug Central | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
| 1796 | 2515 | 43 | None | - | 58 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | Drug Central | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
| 4184 | 2515 | 43 | None | - | 58 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | Drug Central | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
| CHEMBL6437 | 2515 | 43 | None | - | 58 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | Drug Central | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
| DB06148 | 2515 | 43 | None | - | 58 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | Drug Central | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
| 1427 | 2000 | 54 | None | - | 27 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | Drug Central | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | None | ||
| 357 | 2000 | 54 | None | - | 27 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | Drug Central | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | None | ||
| 3696 | 2000 | 54 | None | - | 27 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | Drug Central | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | None | ||
| CHEMBL11 | 2000 | 54 | None | - | 27 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | Drug Central | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | None | ||
| DB00458 | 2000 | 54 | None | - | 27 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | Drug Central | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | None | ||
| 2745 | 3832 | 42 | None | -35 | 9 | Human | 8.1 | pIC50 | = | 8.1 | Binding | Drug Central | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | None | ||
| 5572 | 3832 | 42 | None | -35 | 9 | Human | 8.1 | pIC50 | = | 8.1 | Binding | Drug Central | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | None | ||
| 66007 | 3832 | 42 | None | -35 | 9 | Human | 8.1 | pIC50 | = | 8.1 | Binding | Drug Central | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | None | ||
| 7315 | 3832 | 42 | None | -35 | 9 | Human | 8.1 | pIC50 | = | 8.1 | Binding | Drug Central | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | None | ||
| CHEMBL1490 | 3832 | 42 | None | -35 | 9 | Human | 8.1 | pIC50 | = | 8.1 | Binding | Drug Central | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | None | ||
| DB00376 | 3832 | 42 | None | -35 | 9 | Human | 8.1 | pIC50 | = | 8.1 | Binding | Drug Central | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | None | ||
| 11434515 | 261 | 6 | None | -1 | 5 | Human | 8.0 | pIC50 | = | 8.0 | Binding | Drug Central | 484 | 9 | 1 | 6 | 4.7 | O=C(C(c1cccs1)(c1cccs1)O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2 | None | ||
| 11519741 | 261 | 6 | None | -1 | 5 | Human | 8.0 | pIC50 | = | 8.0 | Binding | Drug Central | 484 | 9 | 1 | 6 | 4.7 | O=C(C(c1cccs1)(c1cccs1)O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2 | None | ||
| 4484 | 261 | 6 | None | -1 | 5 | Human | 8.0 | pIC50 | = | 8.0 | Binding | Drug Central | 484 | 9 | 1 | 6 | 4.7 | O=C(C(c1cccs1)(c1cccs1)O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2 | None | ||
| 7449 | 261 | 6 | None | -1 | 5 | Human | 8.0 | pIC50 | = | 8.0 | Binding | Drug Central | 484 | 9 | 1 | 6 | 4.7 | O=C(C(c1cccs1)(c1cccs1)O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2 | None | ||
| CHEMBL1194325 | 261 | 6 | None | -1 | 5 | Human | 8.0 | pIC50 | = | 8.0 | Binding | Drug Central | 484 | 9 | 1 | 6 | 4.7 | O=C(C(c1cccs1)(c1cccs1)O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2 | None | ||
| DB08897 | 261 | 6 | None | -1 | 5 | Human | 8.0 | pIC50 | = | 8.0 | Binding | Drug Central | 484 | 9 | 1 | 6 | 4.7 | O=C(C(c1cccs1)(c1cccs1)O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2 | None | ||
| 23056 | 112 | 29 | None | -1 | 8 | Human | 10.5 | pKd | = | 10.5 | Binding | Guide to Pharmacology | 337 | 4 | 1 | 4 | 2.6 | O=C(C(c1ccccc1)(c1ccccc1)O)OC1CN2CCC1CC2 | 7562472 | ||
| 318 | 112 | 29 | None | -1 | 8 | Human | 10.5 | pKd | = | 10.5 | Binding | Guide to Pharmacology | 337 | 4 | 1 | 4 | 2.6 | O=C(C(c1ccccc1)(c1ccccc1)O)OC1CN2CCC1CC2 | 7562472 | ||
| 3260 | 112 | 29 | None | -1 | 8 | Human | 10.5 | pKd | = | 10.5 | Binding | Guide to Pharmacology | 337 | 4 | 1 | 4 | 2.6 | O=C(C(c1ccccc1)(c1ccccc1)O)OC1CN2CCC1CC2 | 7562472 | ||
| CHEMBL12980 | 112 | 29 | None | -1 | 8 | Human | 10.5 | pKd | = | 10.5 | Binding | Guide to Pharmacology | 337 | 4 | 1 | 4 | 2.6 | O=C(C(c1ccccc1)(c1ccccc1)O)OC1CN2CCC1CC2 | 7562472 | ||
| 2381 | 660 | 48 | None | -12 | 9 | Human | 8.2 | pKd | = | 8.2 | Binding | Guide to Pharmacology | 311 | 5 | 1 | 2 | 4.0 | OC(C1CC2CC1C=C2)(c1ccccc1)CCN1CCCCC1 | 1346637 | ||
| 374 | 660 | 48 | None | -12 | 9 | Human | 8.2 | pKd | = | 8.2 | Binding | Guide to Pharmacology | 311 | 5 | 1 | 2 | 4.0 | OC(C1CC2CC1C=C2)(c1ccccc1)CCN1CCCCC1 | 1346637 | ||
| 7128 | 660 | 48 | None | -12 | 9 | Human | 8.2 | pKd | = | 8.2 | Binding | Guide to Pharmacology | 311 | 5 | 1 | 2 | 4.0 | OC(C1CC2CC1C=C2)(c1ccccc1)CCN1CCCCC1 | 1346637 | ||
| CHEMBL1101 | 660 | 48 | None | -12 | 9 | Human | 8.2 | pKd | = | 8.2 | Binding | Guide to Pharmacology | 311 | 5 | 1 | 2 | 4.0 | OC(C1CC2CC1C=C2)(c1ccccc1)CCN1CCCCC1 | 1346637 | ||
| DB00810 | 660 | 48 | None | -12 | 9 | Human | 8.2 | pKd | = | 8.2 | Binding | Guide to Pharmacology | 311 | 5 | 1 | 2 | 4.0 | OC(C1CC2CC1C=C2)(c1ccccc1)CCN1CCCCC1 | 1346637 | ||
| 316 | 2816 | 19 | None | -9 | 9 | Human | 9.5 | pKd | = | 9.5 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 11303071 | ||
| 316 | 2816 | 19 | None | -9 | 9 | Human | 9.5 | pKd | = | 9.5 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 12235229 | ||
| 316 | 2816 | 19 | None | -9 | 9 | Human | 9.5 | pKd | = | 9.5 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 16369696 | ||
| 316 | 2816 | 19 | None | -9 | 9 | Human | 9.5 | pKd | = | 9.5 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 31772027 | ||
| 316 | 2816 | 19 | None | -9 | 9 | Human | 9.5 | pKd | = | 9.5 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 7562472 | ||
| 316 | 2816 | 19 | None | -9 | 9 | Human | 9.5 | pKd | = | 9.5 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 7687290 | ||
| 316 | 2816 | 19 | None | -9 | 9 | Human | 9.5 | pKd | = | 9.5 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 9846649 | ||
| 317 | 2816 | 19 | None | -9 | 9 | Human | 9.5 | pKd | = | 9.5 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 11303071 | ||
| 317 | 2816 | 19 | None | -9 | 9 | Human | 9.5 | pKd | = | 9.5 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 12235229 | ||
| 317 | 2816 | 19 | None | -9 | 9 | Human | 9.5 | pKd | = | 9.5 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 16369696 | ||
| 317 | 2816 | 19 | None | -9 | 9 | Human | 9.5 | pKd | = | 9.5 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 31772027 | ||
| 317 | 2816 | 19 | None | -9 | 9 | Human | 9.5 | pKd | = | 9.5 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 7562472 | ||
| 317 | 2816 | 19 | None | -9 | 9 | Human | 9.5 | pKd | = | 9.5 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 7687290 | ||
| 317 | 2816 | 19 | None | -9 | 9 | Human | 9.5 | pKd | = | 9.5 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 9846649 | ||
| 71183 | 2816 | 19 | None | -9 | 9 | Human | 9.5 | pKd | = | 9.5 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 11303071 | ||
| 71183 | 2816 | 19 | None | -9 | 9 | Human | 9.5 | pKd | = | 9.5 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 12235229 | ||
| 71183 | 2816 | 19 | None | -9 | 9 | Human | 9.5 | pKd | = | 9.5 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 16369696 | ||
| 71183 | 2816 | 19 | None | -9 | 9 | Human | 9.5 | pKd | = | 9.5 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 31772027 | ||
| 71183 | 2816 | 19 | None | -9 | 9 | Human | 9.5 | pKd | = | 9.5 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 7562472 | ||
| 71183 | 2816 | 19 | None | -9 | 9 | Human | 9.5 | pKd | = | 9.5 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 7687290 | ||
| 71183 | 2816 | 19 | None | -9 | 9 | Human | 9.5 | pKd | = | 9.5 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 9846649 | ||
| CHEMBL3140030 | 2816 | 19 | None | -9 | 9 | Human | 9.5 | pKd | = | 9.5 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 11303071 | ||
| CHEMBL3140030 | 2816 | 19 | None | -9 | 9 | Human | 9.5 | pKd | = | 9.5 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 12235229 | ||
| CHEMBL3140030 | 2816 | 19 | None | -9 | 9 | Human | 9.5 | pKd | = | 9.5 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 16369696 | ||
| CHEMBL3140030 | 2816 | 19 | None | -9 | 9 | Human | 9.5 | pKd | = | 9.5 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 31772027 | ||
| CHEMBL3140030 | 2816 | 19 | None | -9 | 9 | Human | 9.5 | pKd | = | 9.5 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 7562472 | ||
| CHEMBL3140030 | 2816 | 19 | None | -9 | 9 | Human | 9.5 | pKd | = | 9.5 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 7687290 | ||
| CHEMBL3140030 | 2816 | 19 | None | -9 | 9 | Human | 9.5 | pKd | = | 9.5 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 9846649 | ||
| CHEMBL376897 | 2816 | 19 | None | -9 | 9 | Human | 9.5 | pKd | = | 9.5 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 11303071 | ||
| CHEMBL376897 | 2816 | 19 | None | -9 | 9 | Human | 9.5 | pKd | = | 9.5 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 12235229 | ||
| CHEMBL376897 | 2816 | 19 | None | -9 | 9 | Human | 9.5 | pKd | = | 9.5 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 16369696 | ||
| CHEMBL376897 | 2816 | 19 | None | -9 | 9 | Human | 9.5 | pKd | = | 9.5 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 31772027 | ||
| CHEMBL376897 | 2816 | 19 | None | -9 | 9 | Human | 9.5 | pKd | = | 9.5 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 7562472 | ||
| CHEMBL376897 | 2816 | 19 | None | -9 | 9 | Human | 9.5 | pKd | = | 9.5 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 7687290 | ||
| CHEMBL376897 | 2816 | 19 | None | -9 | 9 | Human | 9.5 | pKd | = | 9.5 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 9846649 | ||
| DB00462 | 2816 | 19 | None | -9 | 9 | Human | 9.5 | pKd | = | 9.5 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 11303071 | ||
| DB00462 | 2816 | 19 | None | -9 | 9 | Human | 9.5 | pKd | = | 9.5 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 12235229 | ||
| DB00462 | 2816 | 19 | None | -9 | 9 | Human | 9.5 | pKd | = | 9.5 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 16369696 | ||
| DB00462 | 2816 | 19 | None | -9 | 9 | Human | 9.5 | pKd | = | 9.5 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 31772027 | ||
| DB00462 | 2816 | 19 | None | -9 | 9 | Human | 9.5 | pKd | = | 9.5 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 7562472 | ||
| DB00462 | 2816 | 19 | None | -9 | 9 | Human | 9.5 | pKd | = | 9.5 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 7687290 | ||
| DB00462 | 2816 | 19 | None | -9 | 9 | Human | 9.5 | pKd | = | 9.5 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 9846649 | ||
| 21123938 | 730 | 0 | None | -19 | 5 | Human | 2.3 | pKd | None | 2.3 | Binding | Guide to Pharmacology | 410 | 2 | 0 | 5 | 2.1 | COc1cc2c(cc1OC)N1[C@@H]3[C@@]42CC[N@@+]2([C@H]4C[C@@H]4[C@H]3[C@H](CC1=O)OCC=C4C2)[O-] | 9495826 | ||
| 343 | 730 | 0 | None | -19 | 5 | Human | 2.3 | pKd | None | 2.3 | Binding | Guide to Pharmacology | 410 | 2 | 0 | 5 | 2.1 | COc1cc2c(cc1OC)N1[C@@H]3[C@@]42CC[N@@+]2([C@H]4C[C@@H]4[C@H]3[C@H](CC1=O)OCC=C4C2)[O-] | 9495826 | ||
| 342 | 729 | 55 | None | -281 | 5 | Human | 2.9 | pKd | None | 2.9 | Binding | Guide to Pharmacology | 394 | 2 | 0 | 5 | 2.1 | COc1cc2c(cc1OC)N1[C@@H]3[C@@]42CCN2[C@H]4C[C@@H]4[C@H]3[C@H](CC1=O)OCC=C4C2 | 9495826 | ||
| 442021 | 729 | 55 | None | -281 | 5 | Human | 2.9 | pKd | None | 2.9 | Binding | Guide to Pharmacology | 394 | 2 | 0 | 5 | 2.1 | COc1cc2c(cc1OC)N1[C@@H]3[C@@]42CCN2[C@H]4C[C@@H]4[C@H]3[C@H](CC1=O)OCC=C4C2 | 9495826 | ||
| CHEMBL501756 | 729 | 55 | None | -281 | 5 | Human | 2.9 | pKd | None | 2.9 | Binding | Guide to Pharmacology | 394 | 2 | 0 | 5 | 2.1 | COc1cc2c(cc1OC)N1[C@@H]3[C@@]42CCN2[C@H]4C[C@@H]4[C@H]3[C@H](CC1=O)OCC=C4C2 | 9495826 | ||
| 2360 | 3667 | 43 | None | -1047 | 5 | Human | 3.6 | pKd | None | 3.6 | Binding | Guide to Pharmacology | 334 | 0 | 0 | 3 | 2.1 | O=C1C[C@@H]2OCC=C3[C@H]4[C@@H]2[C@@H]2N1c1ccccc1[C@]12CCN([C@H]1C4)C3 | 7651370 | ||
| 2484 | 3667 | 43 | None | -1047 | 5 | Human | 3.6 | pKd | None | 3.6 | Binding | Guide to Pharmacology | 334 | 0 | 0 | 3 | 2.1 | O=C1C[C@@H]2OCC=C3[C@H]4[C@@H]2[C@@H]2N1c1ccccc1[C@]12CCN([C@H]1C4)C3 | 7651370 | ||
| 347 | 3667 | 43 | None | -1047 | 5 | Human | 3.6 | pKd | None | 3.6 | Binding | Guide to Pharmacology | 334 | 0 | 0 | 3 | 2.1 | O=C1C[C@@H]2OCC=C3[C@H]4[C@@H]2[C@@H]2N1c1ccccc1[C@]12CCN([C@H]1C4)C3 | 7651370 | ||
| 441071 | 3667 | 43 | None | -1047 | 5 | Human | 3.6 | pKd | None | 3.6 | Binding | Guide to Pharmacology | 334 | 0 | 0 | 3 | 2.1 | O=C1C[C@@H]2OCC=C3[C@H]4[C@@H]2[C@@H]2N1c1ccccc1[C@]12CCN([C@H]1C4)C3 | 7651370 | ||
| CHEMBL227934 | 3667 | 43 | None | -1047 | 5 | Human | 3.6 | pKd | None | 3.6 | Binding | Guide to Pharmacology | 334 | 0 | 0 | 3 | 2.1 | O=C1C[C@@H]2OCC=C3[C@H]4[C@@H]2[C@@H]2N1c1ccccc1[C@]12CCN([C@H]1C4)C3 | 7651370 | ||
| DB15954 | 3667 | 43 | None | -1047 | 5 | Human | 3.6 | pKd | None | 3.6 | Binding | Guide to Pharmacology | 334 | 0 | 0 | 3 | 2.1 | O=C1C[C@@H]2OCC=C3[C@H]4[C@@H]2[C@@H]2N1c1ccccc1[C@]12CCN([C@H]1C4)C3 | 7651370 | ||
| 332 | 2021 | 0 | None | -12 | 5 | Human | 3.7 | pKd | None | 3.7 | Binding | Guide to Pharmacology | 485 | 4 | 0 | 4 | 3.8 | COc1cc2c(cc1OC)N1[C@@H]3[C@@]42CC[N+]2([C@H]4C[C@@H]4[C@H]3[C@H](CC1=O)OCC=C4C2)Cc1ccccc1 | 9495826 | ||
| 44358893 | 2021 | 0 | None | -12 | 5 | Human | 3.7 | pKd | None | 3.7 | Binding | Guide to Pharmacology | 485 | 4 | 0 | 4 | 3.8 | COc1cc2c(cc1OC)N1[C@@H]3[C@@]42CC[N+]2([C@H]4C[C@@H]4[C@H]3[C@H](CC1=O)OCC=C4C2)Cc1ccccc1 | 9495826 | ||
| CHEMBL343796 | 2021 | 0 | None | -12 | 5 | Human | 3.7 | pKd | None | 3.7 | Binding | Guide to Pharmacology | 485 | 4 | 0 | 4 | 3.8 | COc1cc2c(cc1OC)N1[C@@H]3[C@@]42CC[N+]2([C@H]4C[C@@H]4[C@H]3[C@H](CC1=O)OCC=C4C2)Cc1ccccc1 | 9495826 | ||
| 344 | 2729 | 0 | None | -1 | 5 | Human | 4.4 | pKd | None | 4.4 | Binding | Guide to Pharmacology | 443 | 3 | 0 | 4 | 2.8 | COc1cc2c(cc1OC)N1[C@@H]3[C@@]42CC[N+]2([C@H]4C[C@@H]4[C@H]3[C@H](CC1=O)OCC=C4C2)CCl | 9495826 | ||
| 44358908 | 2729 | 0 | None | -1 | 5 | Human | 4.4 | pKd | None | 4.4 | Binding | Guide to Pharmacology | 443 | 3 | 0 | 4 | 2.8 | COc1cc2c(cc1OC)N1[C@@H]3[C@@]42CC[N+]2([C@H]4C[C@@H]4[C@H]3[C@H](CC1=O)OCC=C4C2)CCl | 9495826 | ||
| CHEMBL139677 | 2729 | 0 | None | -1 | 5 | Human | 4.4 | pKd | None | 4.4 | Binding | Guide to Pharmacology | 443 | 3 | 0 | 4 | 2.8 | COc1cc2c(cc1OC)N1[C@@H]3[C@@]42CC[N+]2([C@H]4C[C@@H]4[C@H]3[C@H](CC1=O)OCC=C4C2)CCl | 9495826 | ||
| 23056 | 112 | 29 | 3H-QNB | -1 | 8 | Human | 10.4 | pKi | = | 10.4 | Binding | PDSP KiDatabase | 337 | 4 | 1 | 4 | 2.6 | O=C(C(c1ccccc1)(c1ccccc1)O)OC1CN2CCC1CC2 | None | ||
| 318 | 112 | 29 | 3H-QNB | -1 | 8 | Human | 10.4 | pKi | = | 10.4 | Binding | PDSP KiDatabase | 337 | 4 | 1 | 4 | 2.6 | O=C(C(c1ccccc1)(c1ccccc1)O)OC1CN2CCC1CC2 | None | ||
| 3260 | 112 | 29 | 3H-QNB | -1 | 8 | Human | 10.4 | pKi | = | 10.4 | Binding | PDSP KiDatabase | 337 | 4 | 1 | 4 | 2.6 | O=C(C(c1ccccc1)(c1ccccc1)O)OC1CN2CCC1CC2 | None | ||
| CHEMBL12980 | 112 | 29 | 3H-QNB | -1 | 8 | Human | 10.4 | pKi | = | 10.4 | Binding | PDSP KiDatabase | 337 | 4 | 1 | 4 | 2.6 | O=C(C(c1ccccc1)(c1ccccc1)O)OC1CN2CCC1CC2 | None | ||
| 23056 | 112 | 29 | 3H-QNB | -1 | 8 | Human | 10.2 | pKi | = | 10.2 | Binding | PDSP KiDatabase | 337 | 4 | 1 | 4 | 2.6 | O=C(C(c1ccccc1)(c1ccccc1)O)OC1CN2CCC1CC2 | None | ||
| 318 | 112 | 29 | 3H-QNB | -1 | 8 | Human | 10.2 | pKi | = | 10.2 | Binding | PDSP KiDatabase | 337 | 4 | 1 | 4 | 2.6 | O=C(C(c1ccccc1)(c1ccccc1)O)OC1CN2CCC1CC2 | None | ||
| 3260 | 112 | 29 | 3H-QNB | -1 | 8 | Human | 10.2 | pKi | = | 10.2 | Binding | PDSP KiDatabase | 337 | 4 | 1 | 4 | 2.6 | O=C(C(c1ccccc1)(c1ccccc1)O)OC1CN2CCC1CC2 | None | ||
| CHEMBL12980 | 112 | 29 | 3H-QNB | -1 | 8 | Human | 10.2 | pKi | = | 10.2 | Binding | PDSP KiDatabase | 337 | 4 | 1 | 4 | 2.6 | O=C(C(c1ccccc1)(c1ccccc1)O)OC1CN2CCC1CC2 | None | ||
| 12057539 | 208018 | 42 | 3H-NMS | -1 | 21 | Human | 9.7 | pKi | = | 9.7 | Binding | PDSP KiDatabase | 289 | 4 | 1 | 4 | 1.9 | CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | None | ||
| 3661 | 208018 | 42 | 3H-NMS | -1 | 21 | Human | 9.7 | pKi | = | 9.7 | Binding | PDSP KiDatabase | 289 | 4 | 1 | 4 | 1.9 | CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | None | ||
| CHEMBL9751 | 208018 | 42 | 3H-NMS | -1 | 21 | Human | 9.7 | pKi | = | 9.7 | Binding | PDSP KiDatabase | 289 | 4 | 1 | 4 | 1.9 | CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | None | ||
| 2719 | 914 | 74 | 3H-QNB | 3 | 11 | Human | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 319 | 8 | 1 | 3 | 4.8 | CCN(CCCC(Nc1ccnc2c1ccc(c2)Cl)C)CC | None | ||
| 5535 | 914 | 74 | 3H-QNB | 3 | 11 | Human | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 319 | 8 | 1 | 3 | 4.8 | CCN(CCCC(Nc1ccnc2c1ccc(c2)Cl)C)CC | None | ||
| 607 | 914 | 74 | 3H-QNB | 3 | 11 | Human | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 319 | 8 | 1 | 3 | 4.8 | CCN(CCCC(Nc1ccnc2c1ccc(c2)Cl)C)CC | None | ||
| CHEMBL76 | 914 | 74 | 3H-QNB | 3 | 11 | Human | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 319 | 8 | 1 | 3 | 4.8 | CCN(CCCC(Nc1ccnc2c1ccc(c2)Cl)C)CC | None | ||
| DB00608 | 914 | 74 | 3H-QNB | 3 | 11 | Human | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 319 | 8 | 1 | 3 | 4.8 | CCN(CCCC(Nc1ccnc2c1ccc(c2)Cl)C)CC | None | ||
| 12057539 | 208018 | 42 | 3H-Arachidonic Acid | -1 | 21 | Human | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 289 | 4 | 1 | 4 | 1.9 | CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | None | ||
| 3661 | 208018 | 42 | 3H-Arachidonic Acid | -1 | 21 | Human | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 289 | 4 | 1 | 4 | 1.9 | CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | None | ||
| CHEMBL9751 | 208018 | 42 | 3H-Arachidonic Acid | -1 | 21 | Human | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 289 | 4 | 1 | 4 | 1.9 | CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | None | ||
| 12057539 | 208018 | 42 | 3H-NMS | -1 | 21 | Human | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | 289 | 4 | 1 | 4 | 1.9 | CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | None | ||
| 12057539 | 208018 | 42 | 3H-NMSP | -1 | 21 | Human | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | 289 | 4 | 1 | 4 | 1.9 | CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | None | ||
| 3661 | 208018 | 42 | 3H-NMS | -1 | 21 | Human | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | 289 | 4 | 1 | 4 | 1.9 | CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | None | ||
| 3661 | 208018 | 42 | 3H-NMSP | -1 | 21 | Human | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | 289 | 4 | 1 | 4 | 1.9 | CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | None | ||
| CHEMBL9751 | 208018 | 42 | 3H-NMS | -1 | 21 | Human | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | 289 | 4 | 1 | 4 | 1.9 | CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | None | ||
| CHEMBL9751 | 208018 | 42 | 3H-NMSP | -1 | 21 | Human | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | 289 | 4 | 1 | 4 | 1.9 | CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | None | ||
| 12057539 | 208018 | 42 | 3H-NMS | -1 | 21 | Human | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | 289 | 4 | 1 | 4 | 1.9 | CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | None | ||
| 3661 | 208018 | 42 | 3H-NMS | -1 | 21 | Human | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | 289 | 4 | 1 | 4 | 1.9 | CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | None | ||
| CHEMBL9751 | 208018 | 42 | 3H-NMS | -1 | 21 | Human | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | 289 | 4 | 1 | 4 | 1.9 | CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | None | ||
| 12057539 | 208018 | 42 | 3H-QNB | -1 | 21 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 289 | 4 | 1 | 4 | 1.9 | CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | None | ||
| 3661 | 208018 | 42 | 3H-QNB | -1 | 21 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 289 | 4 | 1 | 4 | 1.9 | CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | None | ||
| CHEMBL9751 | 208018 | 42 | 3H-QNB | -1 | 21 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 289 | 4 | 1 | 4 | 1.9 | CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | None | ||
| 1734 | 116 | 10 | 3H-NMS | -1 | 13 | Human | 9.0 | pKi | = | 9.0 | Binding | PDSP KiDatabase | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | None | ||
| 307 | 116 | 10 | 3H-NMS | -1 | 13 | Human | 9.0 | pKi | = | 9.0 | Binding | PDSP KiDatabase | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | None | ||
| CHEMBL168067 | 116 | 10 | 3H-NMS | -1 | 13 | Human | 9.0 | pKi | = | 9.0 | Binding | PDSP KiDatabase | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | None | ||
| 325 | 2049 | 0 | 3H-NMS | -7 | 9 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 332 | 5 | 1 | 3 | 2.9 | OCC(c1ccccc1)C(=O)OC1CC2CCC(C1)[N+]2(C)C(C)C | None | ||
| 3746 | 2049 | 0 | 3H-NMS | -7 | 9 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 332 | 5 | 1 | 3 | 2.9 | OCC(c1ccccc1)C(=O)OC1CC2CCC(C1)[N+]2(C)C(C)C | None | ||
| 657308 | 2049 | 0 | 3H-NMS | -7 | 9 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 332 | 5 | 1 | 3 | 2.9 | OCC(c1ccccc1)C(=O)OC1CC2CCC(C1)[N+]2(C)C(C)C | None | ||
| CHEMBL1615433 | 2049 | 0 | 3H-NMS | -7 | 9 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 332 | 5 | 1 | 3 | 2.9 | OCC(c1ccccc1)C(=O)OC1CC2CCC(C1)[N+]2(C)C(C)C | None | ||
| DB00332 | 2049 | 0 | 3H-NMS | -7 | 9 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 332 | 5 | 1 | 3 | 2.9 | OCC(c1ccccc1)C(=O)OC1CC2CCC(C1)[N+]2(C)C(C)C | None | ||
| 12057539 | 208018 | 42 | 3H-QNB | -1 | 21 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 289 | 4 | 1 | 4 | 1.9 | CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | None | ||
| 3661 | 208018 | 42 | 3H-QNB | -1 | 21 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 289 | 4 | 1 | 4 | 1.9 | CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | None | ||
| CHEMBL9751 | 208018 | 42 | 3H-QNB | -1 | 21 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 289 | 4 | 1 | 4 | 1.9 | CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | None | ||
| 11957621 | 216013 | 0 | 3H-NMS | -12 | 10 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 203 | 3 | 2 | 3 | 1.3 | COC1=C(C=CC(=C1)CCN)O.Cl | None | ||
| 11957621 | 216013 | 0 | 3H-NMS | -12 | 10 | Rat | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 203 | 3 | 2 | 3 | 1.3 | COC1=C(C=CC(=C1)CCN)O.Cl | None | ||
| 3075702 | 217305 | 0 | 3H-4-DAMP | -2 | 37 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 198 | 3 | 1 | 3 | 1.5 | C1CNC1COC2=CN=C(C=C2)Cl | None | ||
| 145 | 140 | 49 | 3H-QNB | -1949 | 30 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 218 | 4 | 1 | 2 | 2.3 | COc1ccc2c(c1)c(CCN(C)C)c[nH]2 | None | ||
| 1832 | 140 | 49 | 3H-QNB | -1949 | 30 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 218 | 4 | 1 | 2 | 2.3 | COc1ccc2c(c1)c(CCN(C)C)c[nH]2 | None | ||
| CHEMBL7257 | 140 | 49 | 3H-QNB | -1949 | 30 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 218 | 4 | 1 | 2 | 2.3 | COc1ccc2c(c1)c(CCN(C)C)c[nH]2 | None | ||
| DB14010 | 140 | 49 | 3H-QNB | -1949 | 30 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 218 | 4 | 1 | 2 | 2.3 | COc1ccc2c(c1)c(CCN(C)C)c[nH]2 | None | ||
| 179 | 399 | 115 | 3H-QNB | -4365 | 51 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | None | ||
| 2159 | 399 | 115 | 3H-QNB | -4365 | 51 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | None | ||
| 963 | 399 | 115 | 3H-QNB | -4365 | 51 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | None | ||
| CHEMBL243712 | 399 | 115 | 3H-QNB | -4365 | 51 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | None | ||
| DB06288 | 399 | 115 | 3H-QNB | -4365 | 51 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | None | ||
| 141 | 1415 | 35 | 3H-QNB | -114 | 22 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 188 | 3 | 1 | 1 | 2.3 | CN(CCc1c[nH]c2c1cccc2)C | None | ||
| 6089 | 1415 | 35 | 3H-QNB | -114 | 22 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 188 | 3 | 1 | 1 | 2.3 | CN(CCc1c[nH]c2c1cccc2)C | None | ||
| CHEMBL12420 | 1415 | 35 | 3H-QNB | -114 | 22 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 188 | 3 | 1 | 1 | 2.3 | CN(CCc1c[nH]c2c1cccc2)C | None | ||
| DB01488 | 1415 | 35 | 3H-QNB | -114 | 22 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 188 | 3 | 1 | 1 | 2.3 | CN(CCc1c[nH]c2c1cccc2)C | None | ||
| 1353 | 1898 | 93 | 3H-QNB | -398 | 86 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| 3559 | 1898 | 93 | 3H-QNB | -398 | 86 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| 86 | 1898 | 93 | 3H-QNB | -398 | 86 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| CHEMBL54 | 1898 | 93 | 3H-QNB | -398 | 86 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| DB00502 | 1898 | 93 | 3H-QNB | -398 | 86 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| 3294 | 1993 | 111 | 3H-NMS | -14454 | 45 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | None | ||
| 71360 | 1993 | 111 | 3H-NMS | -14454 | 45 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | None | ||
| 87 | 1993 | 111 | 3H-NMS | -14454 | 45 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | None | ||
| CHEMBL14376 | 1993 | 111 | 3H-NMS | -14454 | 45 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | None | ||
| DB04946 | 1993 | 111 | 3H-NMS | -14454 | 45 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | None | ||
| 1588 | 2311 | 27 | 3H-QNB | -28840 | 44 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
| 28864 | 2311 | 27 | 3H-QNB | -28840 | 44 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
| 43 | 2311 | 27 | 3H-QNB | -28840 | 44 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
| CHEMBL157138 | 2311 | 27 | 3H-QNB | -28840 | 44 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
| DB00589 | 2311 | 27 | 3H-QNB | -28840 | 44 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
| 134 | 2497 | 24 | 3H-QNB | -8511 | 68 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
| 1775 | 2497 | 24 | 3H-QNB | -8511 | 68 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
| 9681 | 2497 | 24 | 3H-QNB | -8511 | 68 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
| CHEMBL1065 | 2497 | 24 | 3H-QNB | -8511 | 68 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
| DB00247 | 2497 | 24 | 3H-QNB | -8511 | 68 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
| 2200 | 3109 | 46 | 3H-NMS | -8 | 13 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 328 | 3109 | 46 | 3H-NMS | -8 | 13 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 4848 | 3109 | 46 | 3H-NMS | -8 | 13 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| CHEMBL9967 | 3109 | 46 | 3H-NMS | -8 | 13 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| DB00670 | 3109 | 46 | 3H-NMS | -8 | 13 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 119570 | 3137 | 96 | 3H-QNB | -7585 | 40 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | None | ||
| 2233 | 3137 | 96 | 3H-QNB | -7585 | 40 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | None | ||
| 953 | 3137 | 96 | 3H-QNB | -7585 | 40 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | None | ||
| CHEMBL301265 | 3137 | 96 | 3H-QNB | -7585 | 40 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | None | ||
| DB00413 | 3137 | 96 | 3H-QNB | -7585 | 40 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | None | ||
| 2389 | 3306 | 118 | 3H-QNB | -26915 | 68 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| 5073 | 3306 | 118 | 3H-QNB | -26915 | 68 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| 96 | 3306 | 118 | 3H-QNB | -26915 | 68 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| CHEMBL85 | 3306 | 118 | 3H-QNB | -26915 | 68 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| DB00734 | 3306 | 118 | 3H-QNB | -26915 | 68 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| 128563 | 3438 | 33 | 3H-QNB | -2398 | 42 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 432 | 3 | 0 | 8 | 3.0 | COC(=O)[C@@H]1C[C@H](OC(=O)C)C(=O)[C@H]2[C@@]1(C)CC[C@@H]1[C@]2(C)C[C@H](OC1=O)c1cocc1 | None | ||
| 1666 | 3438 | 33 | 3H-QNB | -2398 | 42 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 432 | 3 | 0 | 8 | 3.0 | COC(=O)[C@@H]1C[C@H](OC(=O)C)C(=O)[C@H]2[C@@]1(C)CC[C@@H]1[C@]2(C)C[C@H](OC1=O)c1cocc1 | None | ||
| CHEMBL445332 | 3438 | 33 | 3H-QNB | -2398 | 42 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 432 | 3 | 0 | 8 | 3.0 | COC(=O)[C@@H]1C[C@H](OC(=O)C)C(=O)[C@H]2[C@@]1(C)CC[C@@H]1[C@]2(C)C[C@H](OC1=O)c1cocc1 | None | ||
| DB12327 | 3438 | 33 | 3H-QNB | -2398 | 42 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 432 | 3 | 0 | 8 | 3.0 | COC(=O)[C@@H]1C[C@H](OC(=O)C)C(=O)[C@H]2[C@@]1(C)CC[C@@H]1[C@]2(C)C[C@H](OC1=O)c1cocc1 | None | ||
| 6917970 | 3665 | 61 | 3H-QNB | -2290 | 34 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 327 | 2 | 2 | 5 | 2.8 | COc1cc2CCN3[C@H](c2cc1O)Cc1c(C3)c(OC)c(cc1)O | None | ||
| 8370 | 3665 | 61 | 3H-QNB | -2290 | 34 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 327 | 2 | 2 | 5 | 2.8 | COc1cc2CCN3[C@H](c2cc1O)Cc1c(C3)c(OC)c(cc1)O | None | ||
| CHEMBL487387 | 3665 | 61 | 3H-QNB | -2290 | 34 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 327 | 2 | 2 | 5 | 2.8 | COc1cc2CCN3[C@H](c2cc1O)Cc1c(C3)c(OC)c(cc1)O | None | ||
| 213 | 3824 | 55 | 3H-QNB | -912 | 44 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | ||
| 2717 | 3824 | 55 | 3H-QNB | -912 | 44 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | ||
| 5533 | 3824 | 55 | 3H-QNB | -912 | 44 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | ||
| CHEMBL621 | 3824 | 55 | 3H-QNB | -912 | 44 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | ||
| DB00656 | 3824 | 55 | 3H-QNB | -912 | 44 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | ||
| 185 | 3975 | 60 | 3H-QNB | -30902 | 38 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 373 | 7 | 1 | 4 | 3.8 | COc1cccc(c1OC)[C@@H](C1CCN(CC1)CCc1ccc(cc1)F)O | None | ||
| 5311271 | 3975 | 60 | 3H-QNB | -30902 | 38 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 373 | 7 | 1 | 4 | 3.8 | COc1cccc(c1OC)[C@@H](C1CCN(CC1)CCc1ccc(cc1)F)O | None | ||
| CHEMBL74355 | 3975 | 60 | 3H-QNB | -30902 | 38 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 373 | 7 | 1 | 4 | 3.8 | COc1cccc(c1OC)[C@@H](C1CCN(CC1)CCc1ccc(cc1)F)O | None | ||
| DB16351 | 3975 | 60 | 3H-QNB | -30902 | 38 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 373 | 7 | 1 | 4 | 3.8 | COc1cccc(c1OC)[C@@H](C1CCN(CC1)CCc1ccc(cc1)F)O | None | ||
| 2865 | 4112 | 73 | 3H-QNB | -912 | 54 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
| 59 | 4112 | 73 | 3H-QNB | -912 | 54 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
| 60854 | 4112 | 73 | 3H-QNB | -912 | 54 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
| CHEMBL708 | 4112 | 73 | 3H-QNB | -912 | 54 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
| DB00246 | 4112 | 73 | 3H-QNB | -912 | 54 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
| 103 | 4122 | 61 | 3H-QNB | -213 | 54 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 2875 | 4122 | 61 | 3H-QNB | -213 | 54 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 5736 | 4122 | 61 | 3H-QNB | -213 | 54 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| CHEMBL285802 | 4122 | 61 | 3H-QNB | -213 | 54 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| DB09225 | 4122 | 61 | 3H-QNB | -213 | 54 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 2662 | 11352 | 131 | 3H-QNB | -41 | 31 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 381 | 3 | 1 | 4 | 3.5 | Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1 | None | ||
| CHEMBL118 | 11352 | 131 | 3H-QNB | -41 | 31 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 381 | 3 | 1 | 4 | 3.5 | Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1 | None | ||
| 5090 | 15529 | 106 | 3H-QNB | -1348 | 31 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 314 | 3 | 0 | 4 | 2.6 | CS(=O)(=O)c1ccc(C2=C(c3ccccc3)C(=O)OC2)cc1 | None | ||
| CHEMBL122 | 15529 | 106 | 3H-QNB | -1348 | 31 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 314 | 3 | 0 | 4 | 2.6 | CS(=O)(=O)c1ccc(C2=C(c3ccccc3)C(=O)OC2)cc1 | None | ||
| 10297 | 27081 | 30 | 3H-QNB | -38 | 44 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 151 | 2 | 2 | 2 | 1.1 | C[C@H](N)[C@H](O)c1ccccc1 | None | ||
| CHEMBL136560 | 27081 | 30 | 3H-QNB | -38 | 44 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 151 | 2 | 2 | 2 | 1.1 | C[C@H](N)[C@H](O)c1ccccc1 | None | ||
| 15387 | 45792 | 55 | 3H-QNB | -1479 | 24 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 263 | 5 | 0 | 2 | 3.5 | CC1CCN(CCCC(=O)c2ccc(F)cc2)CC1 | None | ||
| CHEMBL1531134 | 45792 | 55 | 3H-QNB | -1479 | 24 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 263 | 5 | 0 | 2 | 3.5 | CC1CCN(CCCC(=O)c2ccc(F)cc2)CC1 | None | ||
| 156391 | 46770 | 99 | 3H-QNB | -1 | 30 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 230 | 3 | 1 | 2 | 3.0 | COc1ccc2cc([C@H](C)C(=O)O)ccc2c1 | None | ||
| CHEMBL1200806 | 46770 | 99 | 3H-QNB | -1 | 30 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 230 | 3 | 1 | 2 | 3.0 | COc1ccc2cc([C@H](C)C(=O)O)ccc2c1 | None | ||
| CHEMBL154 | 46770 | 99 | 3H-QNB | -1 | 30 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 230 | 3 | 1 | 2 | 3.0 | COc1ccc2cc([C@H](C)C(=O)O)ccc2c1 | None | ||
| 115237 | 55555 | 119 | 3H-QNB | -42657 | 55 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 426 | 4 | 1 | 7 | 3.1 | Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2O | None | ||
| CHEMBL1621 | 55555 | 119 | 3H-QNB | -42657 | 55 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 426 | 4 | 1 | 7 | 3.1 | Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2O | None | ||
| 10624 | 70271 | 19 | 3H-QNB | -776 | 33 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 284 | 5 | 3 | 3 | 1.7 | CN(C)CCc1c[nH]c2cccc(OP(=O)(O)O)c12 | None | ||
| 138543650 | 70271 | 19 | 3H-QNB | -776 | 33 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 284 | 5 | 3 | 3 | 1.7 | CN(C)CCc1c[nH]c2cccc(OP(=O)(O)O)c12 | None | ||
| CHEMBL194378 | 70271 | 19 | 3H-QNB | -776 | 33 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 284 | 5 | 3 | 3 | 1.7 | CN(C)CCc1c[nH]c2cccc(OP(=O)(O)O)c12 | None | ||
| 2244 | 94204 | 100 | 3H-QNB | -1 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 180 | 2 | 1 | 3 | 1.3 | CC(=O)Oc1ccccc1C(=O)O | None | ||
| CHEMBL25 | 94204 | 100 | 3H-QNB | -1 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 180 | 2 | 1 | 3 | 1.3 | CC(=O)Oc1ccccc1C(=O)O | None | ||
| 3663 | 99939 | 83 | 3H-QNB | -288 | 29 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 504 | 0 | 6 | 8 | 5.1 | Cc1cc(O)c2c(=O)c3c(O)cc(O)c4c5c(O)cc(O)c6c(=O)c7c(O)cc(C)c8c1c2c(c34)c(c78)c65 | None | ||
| CHEMBL286494 | 99939 | 83 | 3H-QNB | -288 | 29 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 504 | 0 | 6 | 8 | 5.1 | Cc1cc(O)c2c(=O)c3c(O)cc(O)c4c5c(O)cc(O)c6c(=O)c7c(O)cc(C)c8c1c2c(c34)c(c78)c65 | None | ||
| 37632 | 111565 | 28 | 3H-QNB | -1 | 8 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 351 | 3 | 0 | 5 | 3.3 | CN(C)Cc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1)=NC2 | None | ||
| CHEMBL328250 | 111565 | 28 | 3H-QNB | -1 | 8 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 351 | 3 | 0 | 5 | 3.3 | CN(C)Cc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1)=NC2 | None | ||
| 446220 | 133496 | 14 | 3H-QNB | -1778 | 46 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 303 | 3 | 0 | 5 | 1.9 | COC(=O)[C@H]1[C@@H](OC(=O)c2ccccc2)C[C@@H]2CC[C@H]1N2C | None | ||
| CHEMBL370805 | 133496 | 14 | 3H-QNB | -1778 | 46 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 303 | 3 | 0 | 5 | 1.9 | COC(=O)[C@H]1[C@@H](OC(=O)c2ccccc2)C[C@@H]2CC[C@H]1N2C | None | ||
| 5280343 | 188251 | 124 | 3H-QNB | -147 | 32 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 302 | 1 | 5 | 7 | 2.0 | O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12 | None | ||
| CHEMBL1520590 | 188251 | 124 | 3H-QNB | -147 | 32 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 302 | 1 | 5 | 7 | 2.0 | O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12 | None | ||
| CHEMBL50 | 188251 | 124 | 3H-QNB | -147 | 32 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 302 | 1 | 5 | 7 | 2.0 | O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12 | None | ||
| 3672 | 192509 | 136 | 3H-QNB | -1 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 206 | 4 | 1 | 1 | 3.1 | CC(C)Cc1ccc(C(C)C(=O)O)cc1 | None | ||
| CHEMBL521 | 192509 | 136 | 3H-QNB | -1 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 206 | 4 | 1 | 1 | 3.1 | CC(C)Cc1ccc(C(C)C(=O)O)cc1 | None | ||
| 54676228 | 193591 | 112 | 3H-QNB | -1 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 331 | 2 | 2 | 5 | 1.6 | CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O | None | ||
| CHEMBL527 | 193591 | 112 | 3H-QNB | -1 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 331 | 2 | 2 | 5 | 1.6 | CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O | None | ||
| 4495 | 196512 | 92 | 3H-QNB | -1 | 30 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 308 | 5 | 1 | 5 | 2.8 | CS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1Oc1ccccc1 | None | ||
| CHEMBL56367 | 196512 | 92 | 3H-QNB | -1 | 30 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 308 | 5 | 1 | 5 | 2.8 | CS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1Oc1ccccc1 | None | ||
| 54677470 | 200528 | 115 | 3H-QNB | -1 | 30 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 351 | 2 | 2 | 6 | 2.0 | Cc1cnc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)s1 | None | ||
| CHEMBL1256873 | 200528 | 115 | 3H-QNB | -1 | 30 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 351 | 2 | 2 | 6 | 2.0 | Cc1cnc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)s1 | None | ||
| CHEMBL599 | 200528 | 115 | 3H-QNB | -1 | 30 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 351 | 2 | 2 | 6 | 2.0 | Cc1cnc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)s1 | None | ||
| 162265 | 202251 | 22 | 3H-QNB | -239 | 45 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 151 | 2 | 2 | 2 | 1.1 | CC(N)C(O)c1ccccc1 | None | ||
| 4786 | 202251 | 22 | 3H-QNB | -239 | 45 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 151 | 2 | 2 | 2 | 1.1 | CC(N)C(O)c1ccccc1 | None | ||
| CHEMBL61006 | 202251 | 22 | 3H-QNB | -239 | 45 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 151 | 2 | 2 | 2 | 1.1 | CC(N)C(O)c1ccccc1 | None | ||
| 5281600 | 203002 | 92 | 3H-QNB | -275 | 33 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 538 | 3 | 6 | 10 | 5.1 | O=c1cc(-c2ccc(O)c(-c3c(O)cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc34)c2)oc2cc(O)cc(O)c12 | None | ||
| CHEMBL63354 | 203002 | 92 | 3H-QNB | -275 | 33 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 538 | 3 | 6 | 10 | 5.1 | O=c1cc(-c2ccc(O)c(-c3c(O)cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc34)c2)oc2cc(O)cc(O)c12 | None | ||
| 5656 | 203043 | 87 | 3H-QNB | -79 | 43 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 277 | 5 | 1 | 3 | 3.0 | COc1ccc(C(CN(C)C)C2(O)CCCCC2)cc1 | None | ||
| CHEMBL637 | 203043 | 87 | 3H-QNB | -79 | 43 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 277 | 5 | 1 | 3 | 3.0 | COc1ccc(C(CN(C)C)C2(O)CCCCC2)cc1 | None | ||
| 1973 | 203460 | 15 | 3H-4-DAMP | -3 | 37 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 462 | 3 | 1 | 7 | 3.9 | Nc1ncnc2nc(-c3ccc(N4CCOCC4)nc3)cc(-c3cccc(Br)c3)c12 | None | ||
| CHEMBL1394464 | 203460 | 15 | 3H-4-DAMP | -3 | 37 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 462 | 3 | 1 | 7 | 3.9 | Nc1ncnc2nc(-c3ccc(N4CCOCC4)nc3)cc(-c3cccc(Br)c3)c12 | None | ||
| CHEMBL66089 | 203460 | 15 | 3H-4-DAMP | -3 | 37 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 462 | 3 | 1 | 7 | 3.9 | Nc1ncnc2nc(-c3ccc(N4CCOCC4)nc3)cc(-c3cccc(Br)c3)c12 | None | ||
| 202478 | 204664 | 20 | 3H-QNB | -97 | 26 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 219 | 3 | 1 | 2 | 3.0 | CCCN1CCC[C@H](c2cccc(O)c2)C1 | None | ||
| CHEMBL7393 | 204664 | 20 | 3H-QNB | -97 | 26 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 219 | 3 | 1 | 2 | 3.0 | CCCN1CCC[C@H](c2cccc(O)c2)C1 | None | ||
| 5311189 | 204818 | 11 | 3H-QNB | -194 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 219 | 3 | 1 | 2 | 3.0 | CCCN1CCC[C@@H](c2cccc(O)c2)C1 | None | ||
| CHEMBL7549 | 204818 | 11 | 3H-QNB | -194 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 219 | 3 | 1 | 2 | 3.0 | CCCN1CCC[C@@H](c2cccc(O)c2)C1 | None | ||
| 4158 | 205318 | 21 | 3H-QNB | -141 | 21 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 233 | 3 | 1 | 3 | 2.1 | COC(=O)C(c1ccccc1)C1CCCCN1 | None | ||
| CHEMBL1722 | 205318 | 21 | 3H-QNB | -141 | 21 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 233 | 3 | 1 | 3 | 2.1 | COC(=O)C(c1ccccc1)C1CCCCN1 | None | ||
| CHEMBL796 | 205318 | 21 | 3H-QNB | -141 | 21 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 233 | 3 | 1 | 3 | 2.1 | COC(=O)C(c1ccccc1)C1CCCCN1 | None | ||
| 4054 | 205478 | 72 | 3H-QNB | -1 | 37 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 179 | 0 | 1 | 1 | 2.7 | CC12CC3CC(C)(C1)CC(N)(C3)C2 | None | ||
| CHEMBL1699 | 205478 | 72 | 3H-QNB | -1 | 37 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 179 | 0 | 1 | 1 | 2.7 | CC12CC3CC(C)(C1)CC(N)(C3)C2 | None | ||
| CHEMBL807 | 205478 | 72 | 3H-QNB | -1 | 37 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 179 | 0 | 1 | 1 | 2.7 | CC12CC3CC(C)(C1)CC(N)(C3)C2 | None | ||
| 119607 | 206180 | 113 | 3H-QNB | -97 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 314 | 3 | 1 | 4 | 3.0 | Cc1onc(-c2ccccc2)c1-c1ccc(S(N)(=O)=O)cc1 | None | ||
| CHEMBL865 | 206180 | 113 | 3H-QNB | -97 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 314 | 3 | 1 | 4 | 3.0 | Cc1onc(-c2ccccc2)c1-c1ccc(S(N)(=O)=O)cc1 | None | ||
| 3337 | 206344 | 27 | 3H-QNB | -1513 | 41 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | ||
| 65801 | 206344 | 27 | 3H-QNB | -1513 | 41 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | ||
| 66264 | 206344 | 27 | 3H-QNB | -1513 | 41 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | ||
| 91452 | 206344 | 27 | 3H-QNB | -1513 | 41 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | ||
| CHEMBL87493 | 206344 | 27 | 3H-QNB | -1513 | 41 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | ||
| 444 | 206643 | 53 | 3H-QNB | -2089 | 18 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 239 | 3 | 1 | 2 | 3.3 | CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1 | None | ||
| CHEMBL894 | 206643 | 53 | 3H-QNB | -2089 | 18 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 239 | 3 | 1 | 2 | 3.3 | CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1 | None | ||
| 11954224 | 215928 | 0 | 3H-QNB | -141253 | 60 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 581 | 4 | 3 | 6 | 2.0 | CC1(C(=O)N2C(C(=O)N3CCCC3C2(O1)O)CC4=CC=CC=C4)NC(=O)C5CN(C6CC7=CNC8=CC=CC(=C78)C6=C5)C | None | ||
| 104911 | 215994 | 0 | 3H-QNB | -41686 | 38 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 530 | 7 | 0 | 5 | 5.1 | COC1=CC=CC=C1N2CCN(CC2)CCN(C3=CC=CC=N3)C(=O)C4CCCCC4.Cl.Cl.Cl | None | ||
| 40589 | 216118 | 0 | 3H-QNB | -407 | 8 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 377 | 7 | 0 | 6 | 2.5 | CCC1=NN(C(=O)N1CC)CCCN2CCN(CC2)C3=CC(=CC=C3)Cl | None | ||
| 25137849 | 216153 | 0 | 3H-QNB | -4 | 41 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 165 | 3 | 2 | 2 | 1.3 | CC(C(C1=CC=CC=C1)O)NC | None | ||
| 71290 | 216153 | 0 | 3H-QNB | -4 | 41 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 165 | 3 | 2 | 2 | 1.3 | CC(C(C1=CC=CC=C1)O)NC | None | ||
| None | 216281 | 0 | 3H-NMS | -1 | 5 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 433 | 6 | 3 | 3 | 4.6 | CC(CCC(=O)NCC(=O)O)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C | None | ||
| None | 216285 | 0 | 3H-QNB | -1 | 34 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 240 | 7 | 4 | 6 | -0.8 | C(C(C(=O)O)N)SSCC(C(=O)O)N | None | ||
| None | 216286 | 0 | 3H-QNB | -1 | 34 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 149 | 4 | 2 | 3 | 0.2 | CSCCC(C(=O)O)N | None | ||
| None | 216287 | 0 | 3H-QNB | -1 | 34 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 135 | 3 | 3 | 3 | -0.3 | C(CS)C(C(=O)O)N | None | ||
| None | 216288 | 0 | 3H-QNB | -1 | 34 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 121 | 2 | 3 | 3 | -0.7 | C(C(C(=O)O)N)S | None | ||
| None | 216289 | 0 | 3H-QNB | -1 | 29 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 117 | 0 | 1 | 3 | -0.0 | C1CSC(=O)C1N | None | ||
| None | 216290 | 0 | 3H-QNB | -1 | 40 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 153 | 3 | 3 | 3 | -1.4 | C(C(C(=O)O)N)S(=O)O | None | ||
| None | 216291 | 0 | 3H-QNB | -1 | 39 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 169 | 3 | 3 | 4 | -1.7 | C(C(C(=O)O)N)S(=O)(=O)O | None | ||
| None | 216292 | 0 | 3H-QNB | -1 | 30 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 183 | 4 | 3 | 4 | -1.3 | C(CS(=O)(=O)O)C(C(=O)O)N | None | ||
| None | 216299 | 0 | 3H-QNB | -13 | 41 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 149 | 2 | 1 | 2 | 1.2 | CC(C(=O)C1=CC=CC=C1)N | None | ||
| 1576 | 216300 | 0 | 3H-QNB | -16 | 41 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 163 | 3 | 1 | 2 | 1.5 | CC(C(=O)C1=CC=CC=C1)NC | None | ||
| None | 216301 | 0 | 3H-QNB | -16 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 536 | 11 | 1 | 4 | 9.0 | CC(C)C(=O)C12C(=O)C(=C(C(C1=O)(CC(C2(C)CCC=C(C)C)CC=C(C)C)CC=C(C)C)O)CC=C(C)C | None | ||
| 4978 | 216302 | 0 | 3H-QNB | -16 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 520 | 1 | 7 | 9 | 4.3 | CC1=CC(=C2C3=C1C4=C5C(=C(C=C4CO)O)C(=O)C6=C(C=C(C7=C6C5=C3C8=C7C(=CC(=C8C2=O)O)O)O)O)O | None | ||
| None | 216303 | 0 | 3H-QNB | -3 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 464 | 4 | 8 | 12 | -0.6 | C1=CC(=C(C=C1C2=C(C(=C3C(=CC(=O)C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)O | None | ||
| None | 216305 | 0 | 3H-QNB | -1 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 448 | 3 | 7 | 11 | 0.4 | CC1C(C(C(C(O1)OC2=C(OC3=CC(=O)C=C(C3=C2O)O)C4=CC(=C(C=C4)O)O)O)O)O | None | ||
| 135269 | 216363 | 0 | 3H-QNB | -1 | 30 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 222 | 5 | 1 | 3 | 2.5 | CCCCC(=O)OC1=CC=CC=C1C(=O)O | None | ||
| 23681059 | 216364 | 0 | 3H-QNB | -1 | 29 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 230 | 3 | 1 | 2 | 3.0 | CC(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)O | None | ||
| 5018304 | 216365 | 0 | 3H-QNB | -1 | 29 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 317 | 4 | 1 | 3 | 0.0 | C1=CC=C(C(=C1)CC(=O)[O-])NC2=C(C=CC=C2Cl)Cl.[Na+] | None | ||
| 84003 | 216366 | 0 | 3H-QNB | -1 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 376 | 6 | 5 | 7 | -0.0 | C1CN2C(=CC=C2C(=O)C3=CC=CC=C3)C1C(=O)O.C(C(CO)(CO)N)O | None | ||
| 119828 | 216368 | 0 | 3H-QNB | -1 | 30 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 370 | 5 | 1 | 5 | 3.5 | CCC(=O)NS(=O)(=O)C1=CC=C(C=C1)C2=C(ON=C2C3=CC=CC=C3)C | None | ||
| None | 216369 | 0 | 3H-QNB | -7 | 29 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 517 | 8 | 2 | 5 | 5.2 | CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)NCCC4=CC=C(C=C4)NC(=O)C | None | ||
| None | 216462 | 0 | 3H-QNB | -4570 | 27 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 347 | 6 | 0 | 3 | 5.0 | CC(=O)N(CC1=CC=CC=C1OC)C2=CC=CC=C2OC3=CC=CC=C3 | None | ||
| None | 216467 | 0 | 3H-NMS | -1 | 14 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 399 | 7 | 4 | 5 | 1.8 | CN(C)CC(C1=CC=C(C=C1)O)C2(CCCCC2)O.C(CC(=O)O)C(=O)O.O | None | ||
| 367 | 3795 | 12 | None | -5 | 8 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | None | ||
| 5487427 | 3795 | 12 | None | -5 | 8 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | None | ||
| 8592 | 3795 | 12 | None | -5 | 8 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | None | ||
| CHEMBL1900528 | 3795 | 12 | None | -5 | 8 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | None | ||
| CHEMBL3305968 | 3795 | 12 | None | -5 | 8 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | None | ||
| CHEMBL4650755 | 3795 | 12 | None | -5 | 8 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | None | ||
| DB01409 | 3795 | 12 | None | -5 | 8 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | None | ||
| 4066 | 204603 | 78 | 3H-QNB | -1 | 7 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 322 | 2 | 0 | 3 | 4.6 | c1ccc2c(c1)Sc1ccccc1N2CC1CN2CCC1CC2 | None | ||
| CHEMBL73451 | 204603 | 78 | 3H-QNB | -1 | 7 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 322 | 2 | 0 | 3 | 4.6 | c1ccc2c(c1)Sc1ccccc1N2CC1CN2CCC1CC2 | None | ||
| 135398737 | 955 | 93 | 3H-QNB | -8 | 92 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 38 | 955 | 93 | 3H-QNB | -8 | 92 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 722 | 955 | 93 | 3H-QNB | -8 | 92 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| CHEMBL42 | 955 | 93 | 3H-QNB | -8 | 92 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| DB00363 | 955 | 93 | 3H-QNB | -8 | 92 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 277 | 1289 | 62 | 3H-QNB | -7 | 46 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | ||
| 2913 | 1289 | 62 | 3H-QNB | -7 | 46 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | ||
| 765 | 1289 | 62 | 3H-QNB | -7 | 46 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | ||
| CHEMBL516 | 1289 | 62 | 3H-QNB | -7 | 46 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | ||
| DB00434 | 1289 | 62 | 3H-QNB | -7 | 46 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | ||
| 10090005 | 215961 | 0 | 3H-QNB | -1380 | 11 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 361 | 1 | 0 | 3 | 4.4 | CN1CCN(CC1)C2=CC3=C(C=CC(=C3)Cl)C(=CC#N)C4=CC=CC=C42 | None | ||
| 15897 | 2840 | 0 | 3H-QNB | -58 | 37 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | ||
| 215 | 2840 | 0 | 3H-QNB | -58 | 37 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | ||
| CHEMBL1979333 | 2840 | 0 | 3H-QNB | -58 | 37 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | ||
| 100 | 3776 | 58 | 3H-QNB | -4 | 56 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
| 2637 | 3776 | 58 | 3H-QNB | -4 | 56 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
| 5452 | 3776 | 58 | 3H-QNB | -4 | 56 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
| CHEMBL479 | 3776 | 58 | 3H-QNB | -4 | 56 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
| DB00679 | 3776 | 58 | 3H-QNB | -4 | 56 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
| 4601 | 206724 | 35 | 3H-QNB | -1 | 17 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 269 | 6 | 0 | 2 | 3.7 | Cc1ccccc1C(OCCN(C)C)c1ccccc1 | None | ||
| CHEMBL1201023 | 206724 | 35 | 3H-QNB | -1 | 17 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 269 | 6 | 0 | 2 | 3.7 | Cc1ccccc1C(OCCN(C)C)c1ccccc1 | None | ||
| CHEMBL900 | 206724 | 35 | 3H-QNB | -1 | 17 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 269 | 6 | 0 | 2 | 3.7 | Cc1ccccc1C(OCCN(C)C)c1ccccc1 | None | ||
| 100 | 3776 | 58 | 3H-QNB | -4 | 56 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
| 2637 | 3776 | 58 | 3H-QNB | -4 | 56 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
| 5452 | 3776 | 58 | 3H-QNB | -4 | 56 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
| CHEMBL479 | 3776 | 58 | 3H-QNB | -4 | 56 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
| DB00679 | 3776 | 58 | 3H-QNB | -4 | 56 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
| 2200 | 3109 | 46 | 3H-NMS | -8 | 13 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 328 | 3109 | 46 | 3H-NMS | -8 | 13 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 4848 | 3109 | 46 | 3H-NMS | -8 | 13 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| CHEMBL9967 | 3109 | 46 | 3H-NMS | -8 | 13 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| DB00670 | 3109 | 46 | 3H-NMS | -8 | 13 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 2200 | 3109 | 46 | 3H-NMS | -7 | 13 | Rat | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 328 | 3109 | 46 | 3H-NMS | -7 | 13 | Rat | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 4848 | 3109 | 46 | 3H-NMS | -7 | 13 | Rat | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| CHEMBL9967 | 3109 | 46 | 3H-NMS | -7 | 13 | Rat | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| DB00670 | 3109 | 46 | 3H-NMS | -7 | 13 | Rat | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 154734599 | 2486 | 12 | 3H-NMS | -15 | 12 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | None | ||
| 327 | 2486 | 12 | 3H-NMS | -15 | 12 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | None | ||
| 4108 | 2486 | 12 | 3H-NMS | -15 | 12 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | None | ||
| CHEMBL27673 | 2486 | 12 | 3H-NMS | -15 | 12 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | None | ||
| 3652 | 4066 | 79 | 3H-NMS | -13 | 18 | Human | 4.9 | pKi | = | 4.9 | Binding | PDSP KiDatabase | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | None | ||
| 57 | 4066 | 79 | 3H-NMS | -13 | 18 | Human | 4.9 | pKi | = | 4.9 | Binding | PDSP KiDatabase | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | None | ||
| 60809 | 4066 | 79 | 3H-NMS | -13 | 18 | Human | 4.9 | pKi | = | 4.9 | Binding | PDSP KiDatabase | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | None | ||
| CHEMBL21536 | 4066 | 79 | 3H-NMS | -13 | 18 | Human | 4.9 | pKi | = | 4.9 | Binding | PDSP KiDatabase | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | None | ||
| DB15357 | 4066 | 79 | 3H-NMS | -13 | 18 | Human | 4.9 | pKi | = | 4.9 | Binding | PDSP KiDatabase | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | None | ||
| 2995 | 204382 | 53 | 3H-QNB | -4 | 23 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 266 | 4 | 1 | 2 | 3.5 | CNCCCN1c2ccccc2CCc2ccccc21 | None | ||
| CHEMBL1696 | 204382 | 53 | 3H-QNB | -4 | 23 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 266 | 4 | 1 | 2 | 3.5 | CNCCCN1c2ccccc2CCc2ccccc21 | None | ||
| CHEMBL72 | 204382 | 53 | 3H-QNB | -4 | 23 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 266 | 4 | 1 | 2 | 3.5 | CNCCCN1c2ccccc2CCc2ccccc21 | None | ||
| 180 | 400 | 56 | 3H-QNB | -23 | 40 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | None | ||
| 200 | 400 | 56 | 3H-QNB | -23 | 40 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | None | ||
| 2160 | 400 | 56 | 3H-QNB | -23 | 40 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | None | ||
| CHEMBL629 | 400 | 56 | 3H-QNB | -23 | 40 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | None | ||
| DB00321 | 400 | 56 | 3H-QNB | -23 | 40 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | None | ||
| 2745 | 3832 | 42 | 3H-QNB | -35 | 9 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | None | ||
| 5572 | 3832 | 42 | 3H-QNB | -35 | 9 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | None | ||
| 66007 | 3832 | 42 | 3H-QNB | -35 | 9 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | None | ||
| 7315 | 3832 | 42 | 3H-QNB | -35 | 9 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | None | ||
| CHEMBL1490 | 3832 | 42 | 3H-QNB | -35 | 9 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | None | ||
| DB00376 | 3832 | 42 | 3H-QNB | -35 | 9 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | None | ||
| 2865 | 4112 | 73 | 3H-QNB | -912 | 54 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
| 59 | 4112 | 73 | 3H-QNB | -912 | 54 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
| 60854 | 4112 | 73 | 3H-QNB | -912 | 54 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
| CHEMBL708 | 4112 | 73 | 3H-QNB | -912 | 54 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
| DB00246 | 4112 | 73 | 3H-QNB | -912 | 54 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
| 279 | 1648 | 26 | 3H-QNB | -3 | 18 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 309 | 0 | 0 | 3 | 3.1 | CN1CCN(CC1)C1=Nc2cc(F)ccc2Cc2c1cccc2 | None | ||
| 49381 | 1648 | 26 | 3H-QNB | -3 | 18 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 309 | 0 | 0 | 3 | 3.1 | CN1CCN(CC1)C1=Nc2cc(F)ccc2Cc2c1cccc2 | None | ||
| CHEMBL63756 | 1648 | 26 | 3H-QNB | -3 | 18 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 309 | 0 | 0 | 3 | 3.1 | CN1CCN(CC1)C1=Nc2cc(F)ccc2Cc2c1cccc2 | None | ||
| 2200 | 3109 | 46 | 3H-QNB | -8 | 13 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 328 | 3109 | 46 | 3H-QNB | -8 | 13 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 4848 | 3109 | 46 | 3H-QNB | -8 | 13 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| CHEMBL9967 | 3109 | 46 | 3H-QNB | -8 | 13 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| DB00670 | 3109 | 46 | 3H-QNB | -8 | 13 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 15897 | 2840 | 0 | 3H-QNB | -58 | 37 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | ||
| 215 | 2840 | 0 | 3H-QNB | -58 | 37 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | ||
| CHEMBL1979333 | 2840 | 0 | 3H-QNB | -58 | 37 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | ||
| 2726 | 916 | 68 | 3H-QNB | -10 | 73 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 621 | 916 | 68 | 3H-QNB | -10 | 73 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 83 | 916 | 68 | 3H-QNB | -10 | 73 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| CHEMBL71 | 916 | 68 | 3H-QNB | -10 | 73 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| DB00477 | 916 | 68 | 3H-QNB | -10 | 73 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 68617 | 205504 | 62 | 3H-QNB | -22 | 26 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | None | ||
| CHEMBL1709 | 205504 | 62 | 3H-QNB | -22 | 26 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | None | ||
| CHEMBL809 | 205504 | 62 | 3H-QNB | -22 | 26 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | None | ||
| 2337 | 3232 | 77 | 3H-QNB | -57 | 63 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| 50 | 3232 | 77 | 3H-QNB | -57 | 63 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| 5002 | 3232 | 77 | 3H-QNB | -57 | 63 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| CHEMBL716 | 3232 | 77 | 3H-QNB | -57 | 63 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| DB01224 | 3232 | 77 | 3H-QNB | -57 | 63 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| 130169 | 3578 | 0 | 3H-NMS | -1 | 5 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 333 | 4 | 1 | 2 | 2.1 | C[N+]1(C)CCN(CC1)C[Si](c1ccccc1)(C1CCCCC1)O | None | ||
| 331 | 3578 | 0 | 3H-NMS | -1 | 5 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 333 | 4 | 1 | 2 | 2.1 | C[N+]1(C)CCN(CC1)C[Si](c1ccccc1)(C1CCCCC1)O | None | ||
| 131632304 | 216011 | 0 | 3H-QNB | -14 | 13 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 303 | 4 | 1 | 5 | 0.9 | CN1C2CC(CC1C3C2O3)OC(=O)C(CO)C4=CC=CC=C4 | None | ||
| None | 216202 | 0 | 3H-NMS | -2 | 6 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 426 | 7 | 1 | 3 | 4.0 | C1CN(CC1C(C2=CC=CC=C2)(C3=CC=CC=C3)C(=O)N)CCC4=CC5=C(C=C4)OCC5 | None | ||
| 3246155 | 215937 | 0 | 3H-QNB | -12 | 17 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 307 | 4 | 0 | 2 | 4.4 | CN1C2CCC1CC(C2)OC(C3=CC=CC=C3)C4=CC=CC=C4 | None | ||
| 208 | 2843 | 0 | 3H-QNB | -23 | 13 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 295 | 5 | 1 | 2 | 4.2 | NCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | None | ||
| 4541 | 2843 | 0 | 3H-QNB | -23 | 13 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 295 | 5 | 1 | 2 | 4.2 | NCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | None | ||
| CHEMBL1494 | 2843 | 0 | 3H-QNB | -23 | 13 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 295 | 5 | 1 | 2 | 4.2 | NCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | None | ||
| 242 | 469 | 124 | 3H-QNB | -83 | 52 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
| 34 | 469 | 124 | 3H-QNB | -83 | 52 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
| 60795 | 469 | 124 | 3H-QNB | -83 | 52 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
| CHEMBL1112 | 469 | 124 | 3H-QNB | -83 | 52 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
| DB01238 | 469 | 124 | 3H-QNB | -83 | 52 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
| 242 | 469 | 124 | 3H-QNB | -83 | 52 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
| 34 | 469 | 124 | 3H-QNB | -83 | 52 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
| 60795 | 469 | 124 | 3H-QNB | -83 | 52 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
| CHEMBL1112 | 469 | 124 | 3H-QNB | -83 | 52 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
| DB01238 | 469 | 124 | 3H-QNB | -83 | 52 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
| 15897 | 2840 | 0 | 3H-QNB | -58 | 37 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | ||
| 215 | 2840 | 0 | 3H-QNB | -58 | 37 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | ||
| CHEMBL1979333 | 2840 | 0 | 3H-QNB | -58 | 37 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | ||
| 180 | 400 | 56 | 3H-Arachidonic Acid | -23 | 40 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | None | ||
| 200 | 400 | 56 | 3H-Arachidonic Acid | -23 | 40 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | None | ||
| 2160 | 400 | 56 | 3H-Arachidonic Acid | -23 | 40 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | None | ||
| CHEMBL629 | 400 | 56 | 3H-Arachidonic Acid | -23 | 40 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | None | ||
| DB00321 | 400 | 56 | 3H-Arachidonic Acid | -23 | 40 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | None | ||
| 4919 | 206211 | 23 | 3H-QNB | -3 | 9 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 287 | 5 | 1 | 2 | 3.9 | OC(CCN1CCCC1)(c1ccccc1)C1CCCCC1 | None | ||
| CHEMBL86715 | 206211 | 23 | 3H-QNB | -3 | 9 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 287 | 5 | 1 | 2 | 3.9 | OC(CCN1CCCC1)(c1ccccc1)C1CCCCC1 | None | ||
| 1613 | 2333 | 53 | 3H-QNB | -14 | 45 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
| 205 | 2333 | 53 | 3H-QNB | -14 | 45 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
| 3964 | 2333 | 53 | 3H-QNB | -14 | 45 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
| CHEMBL831 | 2333 | 53 | 3H-QNB | -14 | 45 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
| DB00408 | 2333 | 53 | 3H-QNB | -14 | 45 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
| 11976 | 917 | 59 | 3H-QNB | -12 | 24 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 315 | 3 | 0 | 2 | 5.2 | CN(C)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)Cl | None | ||
| 667467 | 917 | 59 | 3H-QNB | -12 | 24 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 315 | 3 | 0 | 2 | 5.2 | CN(C)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)Cl | None | ||
| CHEMBL908 | 917 | 59 | 3H-QNB | -12 | 24 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 315 | 3 | 0 | 2 | 5.2 | CN(C)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)Cl | None | ||
| DB01239 | 917 | 59 | 3H-QNB | -12 | 24 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 315 | 3 | 0 | 2 | 5.2 | CN(C)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)Cl | None | ||
| 135398737 | 955 | 93 | 3H-NMS | -8 | 92 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 135398737 | 955 | 93 | 3H-NMSP | -8 | 92 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 38 | 955 | 93 | 3H-NMS | -8 | 92 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 38 | 955 | 93 | 3H-NMSP | -8 | 92 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 722 | 955 | 93 | 3H-NMS | -8 | 92 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 722 | 955 | 93 | 3H-NMSP | -8 | 92 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| CHEMBL42 | 955 | 93 | 3H-NMS | -8 | 92 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| CHEMBL42 | 955 | 93 | 3H-NMSP | -8 | 92 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| DB00363 | 955 | 93 | 3H-NMS | -8 | 92 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| DB00363 | 955 | 93 | 3H-NMSP | -8 | 92 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 1224 | 1420 | 83 | 3H-QNB | -5 | 13 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | None | ||
| 3100 | 1420 | 83 | 3H-QNB | -5 | 13 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | None | ||
| 8980 | 1420 | 83 | 3H-QNB | -5 | 13 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | None | ||
| 916 | 1420 | 83 | 3H-QNB | -5 | 13 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | None | ||
| CHEMBL657 | 1420 | 83 | 3H-QNB | -5 | 13 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | None | ||
| DB01075 | 1420 | 83 | 3H-QNB | -5 | 13 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | None | ||
| 103 | 4122 | 61 | 3H-QNB | -213 | 54 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 2875 | 4122 | 61 | 3H-QNB | -213 | 54 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 5736 | 4122 | 61 | 3H-QNB | -213 | 54 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| CHEMBL285802 | 4122 | 61 | 3H-QNB | -213 | 54 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| DB09225 | 4122 | 61 | 3H-QNB | -213 | 54 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 1209 | 1645 | 75 | 3H-QNB | -45 | 32 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | None | ||
| 203 | 1645 | 75 | 3H-QNB | -45 | 32 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | None | ||
| 3386 | 1645 | 75 | 3H-QNB | -45 | 32 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | None | ||
| CHEMBL41 | 1645 | 75 | 3H-QNB | -45 | 32 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | None | ||
| DB00472 | 1645 | 75 | 3H-QNB | -45 | 32 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | None | ||
| 46780481 | 107504 | 20 | 3H-NMS | -245 | 54 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | ||
| 9903970 | 107504 | 20 | 3H-NMS | -245 | 54 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | ||
| CHEMBL3187365 | 107504 | 20 | 3H-NMS | -245 | 54 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | ||
| CHEMBL3544974 | 107504 | 20 | 3H-NMS | -245 | 54 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | ||
| 2337 | 3232 | 77 | 3H-NMS | -57 | 63 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| 2337 | 3232 | 77 | 3H-QNB | -57 | 63 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| 50 | 3232 | 77 | 3H-NMS | -57 | 63 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| 50 | 3232 | 77 | 3H-QNB | -57 | 63 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| 5002 | 3232 | 77 | 3H-NMS | -57 | 63 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| 5002 | 3232 | 77 | 3H-QNB | -57 | 63 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| CHEMBL716 | 3232 | 77 | 3H-NMS | -57 | 63 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| CHEMBL716 | 3232 | 77 | 3H-QNB | -57 | 63 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| DB01224 | 3232 | 77 | 3H-NMS | -57 | 63 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| DB01224 | 3232 | 77 | 3H-QNB | -57 | 63 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| None | 216109 | 0 | 3H-QNB | -3162 | 24 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 772 | 16 | 4 | 10 | 5.5 | CN(C)CCONC(=CC=C1C=CC(=O)C=C1)C2=CC=CC=C2F.CN(C)CCONC(=CC=C1C=CC(=O)C=C1)C2=CC=CC=C2F.C(=CC(=O)O)C(=O)O | None | ||
| 154734599 | 2486 | 12 | 3H-NMS | -15 | 12 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | None | ||
| 327 | 2486 | 12 | 3H-NMS | -15 | 12 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | None | ||
| 4108 | 2486 | 12 | 3H-NMS | -15 | 12 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | None | ||
| CHEMBL27673 | 2486 | 12 | 3H-NMS | -15 | 12 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | None | ||
| 132947 | 3835 | 9 | 3H-NMS | -134 | 9 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 1124 | 29 | 4 | 13 | 10.2 | CN(CCCCCCNCC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)CCCCCCCCN(CCCCCCN(CC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)CC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)C | None | ||
| 361 | 3835 | 9 | 3H-NMS | -134 | 9 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 1124 | 29 | 4 | 13 | 10.2 | CN(CCCCCCNCC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)CCCCCCCCN(CCCCCCN(CC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)CC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)C | None | ||
| CHEMBL265256 | 3835 | 9 | 3H-NMS | -134 | 9 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 1124 | 29 | 4 | 13 | 10.2 | CN(CCCCCCNCC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)CCCCCCCCN(CCCCCCN(CC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)CC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)C | None | ||
| 62865 | 1263 | 0 | 3H-4-DAMP | -5 | 15 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 323 | 4 | 0 | 4 | 4.4 | N#Cc1ccc2c(c1)N(CC(CN(C)C)C)c1c(S2)cccc1 | None | ||
| 746 | 1263 | 0 | 3H-4-DAMP | -5 | 15 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 323 | 4 | 0 | 4 | 4.4 | N#Cc1ccc2c(c1)N(CC(CN(C)C)C)c1c(S2)cccc1 | None | ||
| 84 | 1263 | 0 | 3H-4-DAMP | -5 | 15 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 323 | 4 | 0 | 4 | 4.4 | N#Cc1ccc2c(c1)N(CC(CN(C)C)C)c1c(S2)cccc1 | None | ||
| CHEMBL2104153 | 1263 | 0 | 3H-4-DAMP | -5 | 15 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 323 | 4 | 0 | 4 | 4.4 | N#Cc1ccc2c(c1)N(CC(CN(C)C)C)c1c(S2)cccc1 | None | ||
| DB09000 | 1263 | 0 | 3H-4-DAMP | -5 | 15 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 323 | 4 | 0 | 4 | 4.4 | N#Cc1ccc2c(c1)N(CC(CN(C)C)C)c1c(S2)cccc1 | None | ||
| None | 216304 | 0 | 3H-QNB | 8 | 28 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 610 | 6 | 10 | 16 | -1.7 | CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O | None | ||
| 135409468 | 2022 | 69 | 3H-QNB | -15 | 40 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 312 | 1 | 2 | 4 | 1.7 | Clc1ccc2c(c1)NC(=c1c(=N2)cccc1)N1CCNCC1 | None | ||
| 333 | 2022 | 69 | 3H-QNB | -15 | 40 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 312 | 1 | 2 | 4 | 1.7 | Clc1ccc2c(c1)NC(=c1c(=N2)cccc1)N1CCNCC1 | None | ||
| CHEMBL845 | 2022 | 69 | 3H-QNB | -15 | 40 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 312 | 1 | 2 | 4 | 1.7 | Clc1ccc2c(c1)NC(=c1c(=N2)cccc1)N1CCNCC1 | None | ||
| 2200 | 3109 | 46 | 3H-QNB | -8 | 13 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 328 | 3109 | 46 | 3H-QNB | -8 | 13 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 4848 | 3109 | 46 | 3H-QNB | -8 | 13 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| CHEMBL9967 | 3109 | 46 | 3H-QNB | -8 | 13 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| DB00670 | 3109 | 46 | 3H-QNB | -8 | 13 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 1212 | 1649 | 50 | 3H-QNB | -95 | 66 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
| 204 | 1649 | 50 | 3H-QNB | -95 | 66 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
| 3372 | 1649 | 50 | 3H-QNB | -95 | 66 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
| CHEMBL726 | 1649 | 50 | 3H-QNB | -95 | 66 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
| DB00623 | 1649 | 50 | 3H-QNB | -95 | 66 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
| 114743 | 216075 | 0 | 3H-QNB | -2 | 8 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 291 | 1 | 1 | 1 | 4.9 | C1CC(C2=CC=CC=C2C1C3=CC(=C(C=C3)Cl)Cl)N | None | ||
| 3652 | 4066 | 79 | 3H-QNB | -13 | 18 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | None | ||
| 57 | 4066 | 79 | 3H-QNB | -13 | 18 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | None | ||
| 60809 | 4066 | 79 | 3H-QNB | -13 | 18 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | None | ||
| CHEMBL21536 | 4066 | 79 | 3H-QNB | -13 | 18 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | None | ||
| DB15357 | 4066 | 79 | 3H-QNB | -13 | 18 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | None | ||
| 101 | 3793 | 24 | 3H-QNB | -15848 | 14 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 440 | 6 | 0 | 6 | 3.9 | O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
| 55752 | 3793 | 24 | 3H-QNB | -15848 | 14 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 440 | 6 | 0 | 6 | 3.9 | O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
| CHEMBL35057 | 3793 | 24 | 3H-QNB | -15848 | 14 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 440 | 6 | 0 | 6 | 3.9 | O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
| 64143 | 198841 | 62 | None | -2 | 8 | Human | 8.4 | pKi | = | 8.4 | Binding | Drug Central | 567 | 9 | 4 | 6 | 4.7 | Cc1c(O)cccc1C(=O)N[C@@H](CSc1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C | None | ||
| CHEMBL584 | 198841 | 62 | None | -2 | 8 | Human | 8.4 | pKi | = | 8.4 | Binding | Drug Central | 567 | 9 | 4 | 6 | 4.7 | Cc1c(O)cccc1C(=O)N[C@@H](CSc1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C | None | ||
| 5831 | 215938 | 0 | 3H-QNB | 1 | 12 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 182 | 3 | 1 | 2 | -3.2 | C[N+](C)(C)CCOC(=O)N.[Cl-] | None | ||
| 2719 | 914 | 74 | None | 3 | 11 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 319 | 8 | 1 | 3 | 4.8 | CCN(CCCC(Nc1ccnc2c1ccc(c2)Cl)C)CC | None | ||
| 5535 | 914 | 74 | None | 3 | 11 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 319 | 8 | 1 | 3 | 4.8 | CCN(CCCC(Nc1ccnc2c1ccc(c2)Cl)C)CC | None | ||
| 607 | 914 | 74 | None | 3 | 11 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 319 | 8 | 1 | 3 | 4.8 | CCN(CCCC(Nc1ccnc2c1ccc(c2)Cl)C)CC | None | ||
| CHEMBL76 | 914 | 74 | None | 3 | 11 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 319 | 8 | 1 | 3 | 4.8 | CCN(CCCC(Nc1ccnc2c1ccc(c2)Cl)C)CC | None | ||
| DB00608 | 914 | 74 | None | 3 | 11 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 319 | 8 | 1 | 3 | 4.8 | CCN(CCCC(Nc1ccnc2c1ccc(c2)Cl)C)CC | None | ||
| 3652 | 46214 | 70 | None | -2 | 9 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 335 | 9 | 2 | 4 | 3.8 | CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12 | None | ||
| CHEMBL1535 | 46214 | 70 | None | -2 | 9 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 335 | 9 | 2 | 4 | 3.8 | CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12 | None | ||
| 3012003 | 216119 | 0 | 3H-QNB | -2 | 12 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 311 | 5 | 0 | 3 | 3.8 | CN1CCC(C(C1)COC2=CC=C(C=C2)OC)C3=CC=CC=C3 | None | ||
| 2726 | 916 | 68 | 3H-QNB | -10 | 73 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 621 | 916 | 68 | 3H-QNB | -10 | 73 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 83 | 916 | 68 | 3H-QNB | -10 | 73 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| CHEMBL71 | 916 | 68 | 3H-QNB | -10 | 73 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| DB00477 | 916 | 68 | 3H-QNB | -10 | 73 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 11954259 | 215954 | 0 | 3H-QNB | -15848 | 44 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 443 | 5 | 0 | 5 | 3.5 | CN1CCN(CC1)CCC=C2C3=CC=CC=C3SC4=C2C=C(C=C4)S(=O)(=O)N(C)C | None | ||
| 154825138 | 216012 | 0 | 3H-NMS | -707 | 12 | Rat | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 345 | 2 | 0 | 3 | 4.4 | CC1CCCC(N1C)C=CC2C3CCCCC3CC4C2C(OC4=O)C | None | ||
| 154825138 | 216012 | 0 | 3H-NMS | -234 | 12 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 345 | 2 | 0 | 3 | 4.4 | CC1CCCC(N1C)C=CC2C3CCCCC3CC4C2C(OC4=O)C | None | ||
| 3947 | 206372 | 53 | 3H-QNB | -7 | 16 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 418 | 7 | 0 | 3 | 5.8 | CN(CCCN1c2ccccc2CCc2ccccc21)CC(=O)c1ccc(Cl)cc1 | None | ||
| CHEMBL87708 | 206372 | 53 | 3H-QNB | -7 | 16 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 418 | 7 | 0 | 3 | 5.8 | CN(CCCN1c2ccccc2CCc2ccccc21)CC(=O)c1ccc(Cl)cc1 | None | ||
| 135398745 | 2893 | 112 | 3H-NMS | -8 | 66 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| 135398745 | 2893 | 112 | 3H-NMSP | -8 | 66 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| 47 | 2893 | 112 | 3H-NMS | -8 | 66 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| 47 | 2893 | 112 | 3H-NMSP | -8 | 66 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| CHEMBL715 | 2893 | 112 | 3H-NMS | -8 | 66 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| CHEMBL715 | 2893 | 112 | 3H-NMSP | -8 | 66 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| DB00334 | 2893 | 112 | 3H-NMS | -8 | 66 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| DB00334 | 2893 | 112 | 3H-NMSP | -8 | 66 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| 2448 | 99295 | 70 | 3H-QNB | -114 | 18 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 419 | 6 | 1 | 3 | 4.5 | O=C(CCCN1CCC(O)(c2ccc(Br)cc2)CC1)c1ccc(F)cc1 | None | ||
| CHEMBL28218 | 99295 | 70 | 3H-QNB | -114 | 18 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 419 | 6 | 1 | 3 | 4.5 | O=C(CCCN1CCC(O)(c2ccc(Br)cc2)CC1)c1ccc(F)cc1 | None | ||
| None | 216213 | 0 | 3H-QNB | -51286 | 30 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 316 | 7 | 3 | 3 | 3.0 | CC(CF)NCC(COC1=CC=CC2=C1C3=CC=CC=C3N2)O | None | ||
| 154825138 | 216012 | 0 | 3H-NMS | -234 | 12 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 345 | 2 | 0 | 3 | 4.4 | CC1CCCC(N1C)C=CC2C3CCCCC3CC4C2C(OC4=O)C | None | ||
| 135398737 | 955 | 93 | 3H-NMS | -8 | 92 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 135398737 | 955 | 93 | 3H-QNB | -8 | 92 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 38 | 955 | 93 | 3H-NMS | -8 | 92 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 38 | 955 | 93 | 3H-QNB | -8 | 92 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 722 | 955 | 93 | 3H-NMS | -8 | 92 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 722 | 955 | 93 | 3H-QNB | -8 | 92 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| CHEMBL42 | 955 | 93 | 3H-NMS | -8 | 92 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| CHEMBL42 | 955 | 93 | 3H-QNB | -8 | 92 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| DB00363 | 955 | 93 | 3H-NMS | -8 | 92 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| DB00363 | 955 | 93 | 3H-QNB | -8 | 92 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 2745 | 3832 | 42 | 3H-NMS | -35 | 9 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | None | ||
| 5572 | 3832 | 42 | 3H-NMS | -35 | 9 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | None | ||
| 66007 | 3832 | 42 | 3H-NMS | -35 | 9 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | None | ||
| 7315 | 3832 | 42 | 3H-NMS | -35 | 9 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | None | ||
| CHEMBL1490 | 3832 | 42 | 3H-NMS | -35 | 9 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | None | ||
| DB00376 | 3832 | 42 | 3H-NMS | -35 | 9 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | None | ||
| 107782 | 14436 | 18 | None | -2 | 5 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 472 | 4 | 4 | 6 | 2.0 | C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COP(=O)(O)O | None | ||
| 67151996 | 14436 | 18 | None | -2 | 5 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 472 | 4 | 4 | 6 | 2.0 | C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COP(=O)(O)O | None | ||
| CHEMBL1201207 | 14436 | 18 | None | -2 | 5 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 472 | 4 | 4 | 6 | 2.0 | C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COP(=O)(O)O | None | ||
| 212 | 3777 | 47 | None | -5 | 25 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 443 | 5 | 0 | 5 | 3.5 | CN1CCN(CC1)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)S(=O)(=O)N(C)C | None | ||
| 2639 | 3777 | 47 | None | -5 | 25 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 443 | 5 | 0 | 5 | 3.5 | CN1CCN(CC1)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)S(=O)(=O)N(C)C | None | ||
| 941651 | 3777 | 47 | None | -5 | 25 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 443 | 5 | 0 | 5 | 3.5 | CN1CCN(CC1)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)S(=O)(=O)N(C)C | None | ||
| CHEMBL1201 | 3777 | 47 | None | -5 | 25 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 443 | 5 | 0 | 5 | 3.5 | CN1CCN(CC1)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)S(=O)(=O)N(C)C | None | ||
| DB01623 | 3777 | 47 | None | -5 | 25 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 443 | 5 | 0 | 5 | 3.5 | CN1CCN(CC1)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)S(=O)(=O)N(C)C | None | ||
| 2448 | 99295 | 70 | None | -114 | 18 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 419 | 6 | 1 | 3 | 4.5 | O=C(CCCN1CCC(O)(c2ccc(Br)cc2)CC1)c1ccc(F)cc1 | None | ||
| CHEMBL28218 | 99295 | 70 | None | -114 | 18 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 419 | 6 | 1 | 3 | 4.5 | O=C(CCCN1CCC(O)(c2ccc(Br)cc2)CC1)c1ccc(F)cc1 | None | ||
| 657255 | 199061 | 34 | None | -20 | 15 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 337 | 12 | 2 | 3 | 5.6 | CCCCCCCCN[C@H](C)[C@@H](O)c1ccc(SC(C)C)cc1 | None | ||
| CHEMBL588119 | 199061 | 34 | None | -20 | 15 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 337 | 12 | 2 | 3 | 5.6 | CCCCCCCCN[C@H](C)[C@@H](O)c1ccc(SC(C)C)cc1 | None | ||
| 441383 | 20301 | 57 | None | -6 | 17 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 531 | 8 | 0 | 8 | 4.5 | CC(C)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4cncn4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | None | ||
| CHEMBL1306 | 20301 | 57 | None | -6 | 17 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 531 | 8 | 0 | 8 | 4.5 | CC(C)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4cncn4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | None | ||
| None | 216230 | 0 | 3H-NMS | -2 | 5 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 311 | 3 | 1 | 2 | 3.9 | C1CCC(CC1)C(C#CCN2CCCCC2)(C3=CC=CC=C3)O | None | ||
| 2337 | 3232 | 77 | None | -57 | 63 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| 50 | 3232 | 77 | None | -57 | 63 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| 5002 | 3232 | 77 | None | -57 | 63 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| CHEMBL716 | 3232 | 77 | None | -57 | 63 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| DB01224 | 3232 | 77 | None | -57 | 63 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| 237 | 204842 | 48 | None | -2 | 13 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | None | ||
| CHEMBL546257 | 204842 | 48 | None | -2 | 13 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | None | ||
| CHEMBL554190 | 204842 | 48 | None | -2 | 13 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | None | ||
| CHEMBL7568 | 204842 | 48 | None | -2 | 13 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | None | ||
| 1209 | 1645 | 75 | None | -45 | 32 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | None | ||
| 203 | 1645 | 75 | None | -45 | 32 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | None | ||
| 3386 | 1645 | 75 | None | -45 | 32 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | None | ||
| CHEMBL41 | 1645 | 75 | None | -45 | 32 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | None | ||
| DB00472 | 1645 | 75 | None | -45 | 32 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | None | ||
| 57174031 | 215917 | 0 | None | 6 | 20 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 284 | 2 | 1 | 3 | 3.0 | CN1C2CCC1CC(C2)OC(=O)C3=CNC4=CC=CC=C43 | None | ||
| 4098 | 32475 | 30 | None | -28 | 11 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 261 | 6 | 0 | 4 | 2.7 | CN(C)CCN(Cc1cccs1)c1ccccn1 | None | ||
| CHEMBL1255739 | 32475 | 30 | None | -28 | 11 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 261 | 6 | 0 | 4 | 2.7 | CN(C)CCN(Cc1cccs1)c1ccccn1 | None | ||
| CHEMBL1411979 | 32475 | 30 | None | -28 | 11 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 261 | 6 | 0 | 4 | 2.7 | CN(C)CCN(Cc1cccs1)c1ccccn1 | None | ||
| 242 | 469 | 124 | None | -83 | 52 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
| 34 | 469 | 124 | None | -83 | 52 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
| 60795 | 469 | 124 | None | -83 | 52 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
| CHEMBL1112 | 469 | 124 | None | -83 | 52 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
| DB01238 | 469 | 124 | None | -83 | 52 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
| 6761 | 67770 | 19 | None | -53 | 18 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 401 | 5 | 1 | 4 | 4.5 | NC(=O)C1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1 | None | ||
| CHEMBL1909072 | 67770 | 19 | None | -53 | 18 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 401 | 5 | 1 | 4 | 4.5 | NC(=O)C1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1 | None | ||
| 4735 | 195092 | 96 | None | -17 | 10 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 340 | 10 | 4 | 4 | 2.9 | N=C(N)c1ccc(OCCCCCOc2ccc(C(=N)N)cc2)cc1 | None | ||
| CHEMBL361506 | 195092 | 96 | None | -17 | 10 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 340 | 10 | 4 | 4 | 2.9 | N=C(N)c1ccc(OCCCCCOc2ccc(C(=N)N)cc2)cc1 | None | ||
| CHEMBL55 | 195092 | 96 | None | -17 | 10 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 340 | 10 | 4 | 4 | 2.9 | N=C(N)c1ccc(OCCCCCOc2ccc(C(=N)N)cc2)cc1 | None | ||
| 68617 | 205504 | 62 | None | -22 | 26 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | None | ||
| CHEMBL1709 | 205504 | 62 | None | -22 | 26 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | None | ||
| CHEMBL809 | 205504 | 62 | None | -22 | 26 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | None | ||
| 1016 | 3720 | 78 | None | -19 | 35 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | None | ||
| 2561 | 3720 | 78 | None | -19 | 35 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | None | ||
| 2733526 | 3720 | 78 | None | -19 | 35 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | None | ||
| 5384 | 3720 | 78 | None | -19 | 35 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | None | ||
| CHEMBL83 | 3720 | 78 | None | -19 | 35 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | None | ||
| DB00675 | 3720 | 78 | None | -19 | 35 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | None | ||
| 5318 | 15544 | 49 | None | -1 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 396 | 6 | 0 | 3 | 6.5 | Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | None | ||
| CHEMBL1200348 | 15544 | 49 | None | -1 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 396 | 6 | 0 | 3 | 6.5 | Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | None | ||
| CHEMBL1221 | 15544 | 49 | None | -1 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 396 | 6 | 0 | 3 | 6.5 | Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | None | ||
| 3168 | 9230 | 92 | None | -147 | 22 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 379 | 6 | 1 | 4 | 3.7 | O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1 | None | ||
| CHEMBL1108 | 9230 | 92 | None | -147 | 22 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 379 | 6 | 1 | 4 | 3.7 | O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1 | None | ||
| 1548955 | 88552 | 20 | None | -1 | 18 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 405 | 9 | 0 | 2 | 6.6 | CCN(CC)CCOc1ccc(C(=C(Cl)c2ccccc2)c2ccccc2)cc1 | None | ||
| 2800 | 88552 | 20 | None | -1 | 18 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 405 | 9 | 0 | 2 | 6.6 | CCN(CC)CCOc1ccc(C(=C(Cl)c2ccccc2)c2ccccc2)cc1 | None | ||
| CHEMBL2355051 | 88552 | 20 | None | -1 | 18 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 405 | 9 | 0 | 2 | 6.6 | CCN(CC)CCOc1ccc(C(=C(Cl)c2ccccc2)c2ccccc2)cc1 | None | ||
| 176 | 397 | 66 | None | -2 | 31 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | None | ||
| 2157 | 397 | 66 | None | -2 | 31 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | None | ||
| 2566 | 397 | 66 | None | -2 | 31 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | None | ||
| CHEMBL633 | 397 | 66 | None | -2 | 31 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | None | ||
| DB01118 | 397 | 66 | None | -2 | 31 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | None | ||
| 6918558 | 14482 | 41 | None | 1 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 411 | 10 | 1 | 4 | 5.4 | CC(C)C(=O)Oc1ccc(CO)cc1[C@H](CCN(C(C)C)C(C)C)c1ccccc1 | None | ||
| CHEMBL1201764 | 14482 | 41 | None | 1 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 411 | 10 | 1 | 4 | 5.4 | CC(C)C(=O)Oc1ccc(CO)cc1[C@H](CCN(C(C)C)C(C)C)c1ccccc1 | None | ||
| None | 216232 | 0 | 3H-NMS | -89 | 5 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 574 | 9 | 3 | 7 | 4.0 | CCCN(CCC)CC1CCCCN1CCNC(=O)N2C3=CC=CC=C3C(=O)NC4=C2N=CC=C4.CS(=O)(=O)O | None | ||
| 11954259 | 215954 | 0 | 3H-QNB | -15848 | 44 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 443 | 5 | 0 | 5 | 3.5 | CN1CCN(CC1)CCC=C2C3=CC=CC=C3SC4=C2C=C(C=C4)S(=O)(=O)N(C)C | None | ||
| 2230 | 464 | 60 | 3H-QNB | -416 | 10 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | None | ||
| 296 | 464 | 60 | 3H-QNB | -416 | 10 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | None | ||
| CHEMBL7303 | 464 | 60 | 3H-QNB | -416 | 10 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | None | ||
| DB04365 | 464 | 60 | 3H-QNB | -416 | 10 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | None | ||
| 154734599 | 2486 | 12 | 3H-NMS | -15 | 12 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | None | ||
| 327 | 2486 | 12 | 3H-NMS | -15 | 12 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | None | ||
| 4108 | 2486 | 12 | 3H-NMS | -15 | 12 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | None | ||
| CHEMBL27673 | 2486 | 12 | 3H-NMS | -15 | 12 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | None | ||
| None | 216213 | 0 | 3H-QNB | -51286 | 30 | Human | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 316 | 7 | 3 | 3 | 3.0 | CC(CF)NCC(COC1=CC=CC2=C1C3=CC=CC=C3N2)O | None | ||
| 135398745 | 2893 | 112 | 3H-NMS | -8 | 66 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| 135398745 | 2893 | 112 | 3H-QNB | -8 | 66 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| 47 | 2893 | 112 | 3H-NMS | -8 | 66 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| 47 | 2893 | 112 | 3H-QNB | -8 | 66 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| CHEMBL715 | 2893 | 112 | 3H-NMS | -8 | 66 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| CHEMBL715 | 2893 | 112 | 3H-QNB | -8 | 66 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| DB00334 | 2893 | 112 | 3H-NMS | -8 | 66 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| DB00334 | 2893 | 112 | 3H-QNB | -8 | 66 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| 124 | 2960 | 47 | None | -109 | 33 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | ||
| 2032 | 2960 | 47 | None | -109 | 33 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | ||
| 4636 | 2960 | 47 | None | -109 | 33 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | ||
| CHEMBL762 | 2960 | 47 | None | -109 | 33 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | ||
| DB00935 | 2960 | 47 | None | -109 | 33 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | ||
| 3055 | 1421 | 44 | None | -3 | 9 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 309 | 6 | 1 | 2 | 4.2 | OC(c1ccccc1)(c1ccccc1)CCCN1CCCCC1 | None | ||
| 313 | 1421 | 44 | None | -3 | 9 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 309 | 6 | 1 | 2 | 4.2 | OC(c1ccccc1)(c1ccccc1)CCCN1CCCCC1 | None | ||
| 7163 | 1421 | 44 | None | -3 | 9 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 309 | 6 | 1 | 2 | 4.2 | OC(c1ccccc1)(c1ccccc1)CCCN1CCCCC1 | None | ||
| CHEMBL936 | 1421 | 44 | None | -3 | 9 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 309 | 6 | 1 | 2 | 4.2 | OC(c1ccccc1)(c1ccccc1)CCCN1CCCCC1 | None | ||
| DB01231 | 1421 | 44 | None | -3 | 9 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 309 | 6 | 1 | 2 | 4.2 | OC(c1ccccc1)(c1ccccc1)CCCN1CCCCC1 | None | ||
| 12488 | 1644 | 56 | None | -12 | 23 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 404 | 6 | 0 | 2 | 5.4 | C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F | None | ||
| 941361 | 1644 | 56 | None | -12 | 23 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 404 | 6 | 0 | 2 | 5.4 | C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F | None | ||
| CHEMBL30008 | 1644 | 56 | None | -12 | 23 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 404 | 6 | 0 | 2 | 5.4 | C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F | None | ||
| DB04841 | 1644 | 56 | None | -12 | 23 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 404 | 6 | 0 | 2 | 5.4 | C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F | None | ||
| 21855 | 84217 | 42 | None | -27 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 292 | 5 | 0 | 2 | 4.1 | CC(C1=C(CCN(C)C)Cc2ccccc21)c1ccccn1 | None | ||
| CHEMBL22108 | 84217 | 42 | None | -27 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 292 | 5 | 0 | 2 | 4.1 | CC(C1=C(CCN(C)C)Cc2ccccc21)c1ccccn1 | None | ||
| 4746 | 204868 | 31 | None | -1 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 277 | 4 | 1 | 1 | 5.3 | C1CCC(C(CC2CCCCN2)C2CCCCC2)CC1 | None | ||
| CHEMBL1334033 | 204868 | 31 | None | -1 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 277 | 4 | 1 | 1 | 5.3 | C1CCC(C(CC2CCCCN2)C2CCCCC2)CC1 | None | ||
| CHEMBL75880 | 204868 | 31 | None | -1 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 277 | 4 | 1 | 1 | 5.3 | C1CCC(C(CC2CCCCN2)C2CCCCC2)CC1 | None | ||
| 1210 | 915 | 51 | None | -91 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
| 1213 | 915 | 51 | None | -91 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
| 2725 | 915 | 51 | None | -91 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
| 33036 | 915 | 51 | None | -91 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
| 4411 | 915 | 51 | None | -91 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
| 616 | 915 | 51 | None | -91 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
| 6976 | 915 | 51 | None | -91 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
| 716121 | 915 | 51 | None | -91 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
| 90475904 | 915 | 51 | None | -91 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
| CHEMBL1201353 | 915 | 51 | None | -91 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
| CHEMBL1554789 | 915 | 51 | None | -91 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
| CHEMBL505 | 915 | 51 | None | -91 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
| DB01114 | 915 | 51 | None | -91 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
| DB13679 | 915 | 51 | None | -91 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
| 1353 | 1898 | 93 | None | -398 | 86 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| 3559 | 1898 | 93 | None | -398 | 86 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| 86 | 1898 | 93 | None | -398 | 86 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| CHEMBL54 | 1898 | 93 | None | -398 | 86 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| DB00502 | 1898 | 93 | None | -398 | 86 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| 191 | 402 | 98 | None | -45 | 29 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | None | ||
| 201 | 402 | 98 | None | -45 | 29 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | None | ||
| 2170 | 402 | 98 | None | -45 | 29 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | None | ||
| CHEMBL1113 | 402 | 98 | None | -45 | 29 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | None | ||
| DB00543 | 402 | 98 | None | -45 | 29 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | None | ||
| 1547484 | 937 | 74 | None | -9 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | None | ||
| 654 | 937 | 74 | None | -9 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | None | ||
| 9072 | 937 | 74 | None | -9 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | None | ||
| CHEMBL43064 | 937 | 74 | None | -9 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | None | ||
| DB00568 | 937 | 74 | None | -9 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | None | ||
| 2247 | 504 | 81 | None | -32 | 42 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | None | ||
| 249 | 504 | 81 | None | -32 | 42 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | None | ||
| 2603 | 504 | 81 | None | -32 | 42 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | None | ||
| CHEMBL296419 | 504 | 81 | None | -32 | 42 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | None | ||
| DB00637 | 504 | 81 | None | -32 | 42 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | None | ||
| 2381 | 660 | 48 | 3H-QNB | -12 | 9 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 311 | 5 | 1 | 2 | 4.0 | OC(C1CC2CC1C=C2)(c1ccccc1)CCN1CCCCC1 | None | ||
| 374 | 660 | 48 | 3H-QNB | -12 | 9 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 311 | 5 | 1 | 2 | 4.0 | OC(C1CC2CC1C=C2)(c1ccccc1)CCN1CCCCC1 | None | ||
| 7128 | 660 | 48 | 3H-QNB | -12 | 9 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 311 | 5 | 1 | 2 | 4.0 | OC(C1CC2CC1C=C2)(c1ccccc1)CCN1CCCCC1 | None | ||
| CHEMBL1101 | 660 | 48 | 3H-QNB | -12 | 9 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 311 | 5 | 1 | 2 | 4.0 | OC(C1CC2CC1C=C2)(c1ccccc1)CCN1CCCCC1 | None | ||
| DB00810 | 660 | 48 | 3H-QNB | -12 | 9 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 311 | 5 | 1 | 2 | 4.0 | OC(C1CC2CC1C=C2)(c1ccccc1)CCN1CCCCC1 | None | ||
| 6726 | 1269 | 51 | None | -9 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | None | ||
| 7151 | 1269 | 51 | None | -9 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | None | ||
| 749 | 1269 | 51 | None | -9 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | None | ||
| CHEMBL648 | 1269 | 51 | None | -9 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | None | ||
| DB01176 | 1269 | 51 | None | -9 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | None | ||
| 3947 | 206372 | 53 | None | -7 | 16 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 418 | 7 | 0 | 3 | 5.8 | CN(CCCN1c2ccccc2CCc2ccccc21)CC(=O)c1ccc(Cl)cc1 | None | ||
| CHEMBL87708 | 206372 | 53 | None | -7 | 16 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 418 | 7 | 0 | 3 | 5.8 | CN(CCCN1c2ccccc2CCc2ccccc21)CC(=O)c1ccc(Cl)cc1 | None | ||
| 11057 | 176125 | 23 | None | -1 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | None | ||
| 3468 | 176125 | 23 | None | -1 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | None | ||
| CHEMBL459265 | 176125 | 23 | None | -1 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | None | ||
| CHEMBL64894 | 176125 | 23 | None | -1 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | None | ||
| 1212 | 1649 | 50 | None | -95 | 66 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
| 204 | 1649 | 50 | None | -95 | 66 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
| 3372 | 1649 | 50 | None | -95 | 66 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
| CHEMBL726 | 1649 | 50 | None | -95 | 66 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
| DB00623 | 1649 | 50 | None | -95 | 66 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
| 3389 | 217683 | 0 | None | -1 | 26 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 549 | 12 | 0 | 6 | 6.8 | CCCCCCC(=O)OCCN1CCN(CCCN2C3=CC=CC=C3SC3=C2C=C(C=C3)C(F)(F)F)CC1 | None | ||
| 2200 | 3109 | 46 | None | -8 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 328 | 3109 | 46 | None | -8 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 4848 | 3109 | 46 | None | -8 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| CHEMBL9967 | 3109 | 46 | None | -8 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| DB00670 | 3109 | 46 | None | -8 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 1224 | 1420 | 83 | None | -5 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | None | ||
| 3100 | 1420 | 83 | None | -5 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | None | ||
| 8980 | 1420 | 83 | None | -5 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | None | ||
| 916 | 1420 | 83 | None | -5 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | None | ||
| CHEMBL657 | 1420 | 83 | None | -5 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | None | ||
| DB01075 | 1420 | 83 | None | -5 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | None | ||
| 103 | 4122 | 61 | None | -213 | 54 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 2875 | 4122 | 61 | None | -213 | 54 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 5736 | 4122 | 61 | None | -213 | 54 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| CHEMBL285802 | 4122 | 61 | None | -213 | 54 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| DB09225 | 4122 | 61 | None | -213 | 54 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 3191 | 102831 | 97 | None | -7 | 25 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 469 | 9 | 0 | 3 | 7.2 | CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 | None | ||
| CHEMBL305660 | 102831 | 97 | None | -7 | 25 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 469 | 9 | 0 | 3 | 7.2 | CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 | None | ||
| 135 | 2515 | 43 | None | -19 | 58 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
| 1796 | 2515 | 43 | None | -19 | 58 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
| 4184 | 2515 | 43 | None | -19 | 58 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
| CHEMBL6437 | 2515 | 43 | None | -19 | 58 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
| DB06148 | 2515 | 43 | None | -19 | 58 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
| 2274 | 3151 | 58 | None | -15 | 32 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | None | ||
| 4917 | 3151 | 58 | None | -15 | 32 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | None | ||
| 7279 | 3151 | 58 | None | -15 | 32 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | None | ||
| CHEMBL728 | 3151 | 58 | None | -15 | 32 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | None | ||
| DB00433 | 3151 | 58 | None | -15 | 32 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | None | ||
| 1613 | 2333 | 53 | None | -14 | 45 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
| 205 | 2333 | 53 | None | -14 | 45 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
| 3964 | 2333 | 53 | None | -14 | 45 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
| CHEMBL831 | 2333 | 53 | None | -14 | 45 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
| DB00408 | 2333 | 53 | None | -14 | 45 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
| 2995 | 204382 | 53 | None | -4 | 23 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 266 | 4 | 1 | 2 | 3.5 | CNCCCN1c2ccccc2CCc2ccccc21 | None | ||
| CHEMBL1696 | 204382 | 53 | None | -4 | 23 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 266 | 4 | 1 | 2 | 3.5 | CNCCCN1c2ccccc2CCc2ccccc21 | None | ||
| CHEMBL72 | 204382 | 53 | None | -4 | 23 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 266 | 4 | 1 | 2 | 3.5 | CNCCCN1c2ccccc2CCc2ccccc21 | None | ||
| 4976 | 203556 | 29 | None | -1 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 263 | 4 | 1 | 1 | 4.3 | CNCCCC1c2ccccc2C=Cc2ccccc21 | None | ||
| CHEMBL668 | 203556 | 29 | None | -1 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 263 | 4 | 1 | 1 | 4.3 | CNCCCC1c2ccccc2C=Cc2ccccc21 | None | ||
| 4011 | 82379 | 49 | None | -15 | 24 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 277 | 4 | 1 | 1 | 4.2 | CNCCCC12CCC(c3ccccc31)c1ccccc12 | None | ||
| CHEMBL21731 | 82379 | 49 | None | -15 | 24 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 277 | 4 | 1 | 1 | 4.2 | CNCCCC12CCC(c3ccccc31)c1ccccc12 | None | ||
| 1712 | 2475 | 43 | 3H-QNB | -5 | 22 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 386 | 4 | 0 | 4 | 4.9 | CN1CCCCC1CCN1c2ccccc2Sc2c1cc(cc2)S(=O)C | None | ||
| 4078 | 2475 | 43 | 3H-QNB | -5 | 22 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 386 | 4 | 0 | 4 | 4.9 | CN1CCCCC1CCN1c2ccccc2Sc2c1cc(cc2)S(=O)C | None | ||
| 7227 | 2475 | 43 | 3H-QNB | -5 | 22 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 386 | 4 | 0 | 4 | 4.9 | CN1CCCCC1CCN1c2ccccc2Sc2c1cc(cc2)S(=O)C | None | ||
| CHEMBL1088 | 2475 | 43 | 3H-QNB | -5 | 22 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 386 | 4 | 0 | 4 | 4.9 | CN1CCCCC1CCN1c2ccccc2Sc2c1cc(cc2)S(=O)C | None | ||
| DB00933 | 2475 | 43 | 3H-QNB | -5 | 22 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 386 | 4 | 0 | 4 | 4.9 | CN1CCCCC1CCN1c2ccccc2Sc2c1cc(cc2)S(=O)C | None | ||
| 310 | 1909 | 0 | 3H-NMS | -19 | 11 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 331 | 6 | 1 | 2 | 4.0 | O[Si](c1ccccc1)(C1CCCCC1)CCCN1CCCCC1 | None | ||
| 3602 | 1909 | 0 | 3H-NMS | -19 | 11 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 331 | 6 | 1 | 2 | 4.0 | O[Si](c1ccccc1)(C1CCCCC1)CCCN1CCCCC1 | None | ||
| CHEMBL3545990 | 1909 | 0 | 3H-NMS | -19 | 11 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 331 | 6 | 1 | 2 | 4.0 | O[Si](c1ccccc1)(C1CCCCC1)CCCN1CCCCC1 | None | ||
| 1615 | 167767 | 24 | 3H-QNB | -16 | 45 | Human | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 193 | 3 | 1 | 3 | 1.6 | CNC(C)Cc1ccc2c(c1)OCO2 | None | ||
| CHEMBL43048 | 167767 | 24 | 3H-QNB | -16 | 45 | Human | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 193 | 3 | 1 | 3 | 1.6 | CNC(C)Cc1ccc2c(c1)OCO2 | None | ||
| 43815 | 186896 | 64 | 3H-QNB | -14 | 25 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 329 | 4 | 1 | 4 | 3.3 | Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1 | None | ||
| CHEMBL1708 | 186896 | 64 | 3H-QNB | -14 | 25 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 329 | 4 | 1 | 4 | 3.3 | Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1 | None | ||
| CHEMBL490 | 186896 | 64 | 3H-QNB | -14 | 25 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 329 | 4 | 1 | 4 | 3.3 | Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1 | None | ||
| 1353 | 1898 | 93 | 3H-QNB | -398 | 86 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| 3559 | 1898 | 93 | 3H-QNB | -398 | 86 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| 86 | 1898 | 93 | 3H-QNB | -398 | 86 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| CHEMBL54 | 1898 | 93 | 3H-QNB | -398 | 86 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| DB00502 | 1898 | 93 | 3H-QNB | -398 | 86 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| 6450478 | 215987 | 0 | 3H-QNB | -16 | 12 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 340 | 0 | 0 | 6 | 3.4 | CN1CCN(CC1)C2=NC3=CSC=C3C(=CC#N)C4=CSC=C42 | None | ||
| 2745 | 3832 | 42 | 3H-NMS | -35 | 9 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | None | ||
| 5572 | 3832 | 42 | 3H-NMS | -35 | 9 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | None | ||
| 66007 | 3832 | 42 | 3H-NMS | -35 | 9 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | None | ||
| 7315 | 3832 | 42 | 3H-NMS | -35 | 9 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | None | ||
| CHEMBL1490 | 3832 | 42 | 3H-NMS | -35 | 9 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | None | ||
| DB00376 | 3832 | 42 | 3H-NMS | -35 | 9 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | None | ||
| 1971 | 2846 | 38 | None | -4 | 30 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | None | ||
| 2404 | 2846 | 38 | None | -4 | 30 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | None | ||
| 4543 | 2846 | 38 | None | -4 | 30 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | None | ||
| CHEMBL445 | 2846 | 38 | None | -4 | 30 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | None | ||
| DB00540 | 2846 | 38 | None | -4 | 30 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | None | ||
| 2335 | 11816 | 22 | None | -1 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | None | ||
| 8478 | 11816 | 22 | None | -1 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | None | ||
| CHEMBL1182210 | 11816 | 22 | None | -1 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | None | ||
| CHEMBL221753 | 11816 | 22 | None | -1 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | None | ||
| 5284550 | 41691 | 15 | None | -1 | 9 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 295 | 3 | 0 | 2 | 4.7 | CN(C)CC/C=C1\c2ccccc2CSc2ccccc21 | None | ||
| CHEMBL1492500 | 41691 | 15 | None | -1 | 9 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 295 | 3 | 0 | 2 | 4.7 | CN(C)CC/C=C1\c2ccccc2CSc2ccccc21 | None | ||
| 43815 | 186896 | 64 | None | -14 | 25 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 329 | 4 | 1 | 4 | 3.3 | Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1 | None | ||
| CHEMBL1708 | 186896 | 64 | None | -14 | 25 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 329 | 4 | 1 | 4 | 3.3 | Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1 | None | ||
| CHEMBL490 | 186896 | 64 | None | -14 | 25 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 329 | 4 | 1 | 4 | 3.3 | Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1 | None | ||
| 1427 | 2000 | 54 | None | -2 | 27 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | None | ||
| 357 | 2000 | 54 | None | -2 | 27 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | None | ||
| 3696 | 2000 | 54 | None | -2 | 27 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | None | ||
| CHEMBL11 | 2000 | 54 | None | -2 | 27 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | None | ||
| DB00458 | 2000 | 54 | None | -2 | 27 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | None | ||
| 3652 | 4066 | 79 | None | -13 | 18 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | None | ||
| 57 | 4066 | 79 | None | -13 | 18 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | None | ||
| 60809 | 4066 | 79 | None | -13 | 18 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | None | ||
| CHEMBL21536 | 4066 | 79 | None | -13 | 18 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | None | ||
| DB15357 | 4066 | 79 | None | -13 | 18 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | None | ||
| 306 | 3430 | 21 | None | 2 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 193 | 2 | 0 | 4 | 0.9 | CO/N=C(/[C@H]1CN2CCC1CC2)\C#N | None | ||
| 3536 | 3430 | 21 | None | 2 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 193 | 2 | 0 | 4 | 0.9 | CO/N=C(/[C@H]1CN2CCC1CC2)\C#N | None | ||
| 53930639 | 3430 | 21 | None | 2 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 193 | 2 | 0 | 4 | 0.9 | CO/N=C(/[C@H]1CN2CCC1CC2)\C#N | None | ||
| 9577995 | 3430 | 21 | None | 2 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 193 | 2 | 0 | 4 | 0.9 | CO/N=C(/[C@H]1CN2CCC1CC2)\C#N | None | ||
| CHEMBL134641 | 3430 | 21 | None | 2 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 193 | 2 | 0 | 4 | 0.9 | CO/N=C(/[C@H]1CN2CCC1CC2)\C#N | None | ||
| 1225 | 1459 | 26 | None | -83 | 22 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 279 | 3 | 0 | 2 | 4.0 | CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C | None | ||
| 3958 | 1459 | 26 | None | -83 | 22 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 279 | 3 | 0 | 2 | 4.0 | CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C | None | ||
| 667477 | 1459 | 26 | None | -83 | 22 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 279 | 3 | 0 | 2 | 4.0 | CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C | None | ||
| CHEMBL860 | 1459 | 26 | None | -83 | 22 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 279 | 3 | 0 | 2 | 4.0 | CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C | None | ||
| DB01142 | 1459 | 26 | None | -83 | 22 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 279 | 3 | 0 | 2 | 4.0 | CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C | None | ||
| 2774 | 3839 | 95 | None | -4 | 10 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | None | ||
| 5593 | 3839 | 95 | None | -4 | 10 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | None | ||
| 7319 | 3839 | 95 | None | -4 | 10 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | None | ||
| CHEMBL1200604 | 3839 | 95 | None | -4 | 10 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | None | ||
| DB00809 | 3839 | 95 | None | -4 | 10 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | None | ||
| DB01199 | 3839 | 95 | None | -4 | 10 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | None | ||
| 154059 | 3610 | 51 | None | -3 | 8 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 362 | 2 | 0 | 3 | 3.9 | O=C(N1CCc2c([C@@H]1c1ccccc1)cccc2)O[C@H]1CN2CCC1CC2 | None | ||
| 2457 | 3610 | 51 | None | -3 | 8 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 362 | 2 | 0 | 3 | 3.9 | O=C(N1CCc2c([C@@H]1c1ccccc1)cccc2)O[C@H]1CN2CCC1CC2 | None | ||
| 7483 | 3610 | 51 | None | -3 | 8 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 362 | 2 | 0 | 3 | 3.9 | O=C(N1CCc2c([C@@H]1c1ccccc1)cccc2)O[C@H]1CN2CCC1CC2 | None | ||
| CHEMBL1734 | 3610 | 51 | None | -3 | 8 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 362 | 2 | 0 | 3 | 3.9 | O=C(N1CCc2c([C@@H]1c1ccccc1)cccc2)O[C@H]1CN2CCC1CC2 | None | ||
| DB01591 | 3610 | 51 | None | -3 | 8 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 362 | 2 | 0 | 3 | 3.9 | O=C(N1CCc2c([C@@H]1c1ccccc1)cccc2)O[C@H]1CN2CCC1CC2 | None | ||
| 1712 | 2475 | 43 | None | -5 | 22 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 386 | 4 | 0 | 4 | 4.9 | CN1CCCCC1CCN1c2ccccc2Sc2c1cc(cc2)S(=O)C | None | ||
| 4078 | 2475 | 43 | None | -5 | 22 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 386 | 4 | 0 | 4 | 4.9 | CN1CCCCC1CCN1c2ccccc2Sc2c1cc(cc2)S(=O)C | None | ||
| 7227 | 2475 | 43 | None | -5 | 22 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 386 | 4 | 0 | 4 | 4.9 | CN1CCCCC1CCN1c2ccccc2Sc2c1cc(cc2)S(=O)C | None | ||
| CHEMBL1088 | 2475 | 43 | None | -5 | 22 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 386 | 4 | 0 | 4 | 4.9 | CN1CCCCC1CCN1c2ccccc2Sc2c1cc(cc2)S(=O)C | None | ||
| DB00933 | 2475 | 43 | None | -5 | 22 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 386 | 4 | 0 | 4 | 4.9 | CN1CCCCC1CCN1c2ccccc2Sc2c1cc(cc2)S(=O)C | None | ||
| 124087 | 1377 | 114 | None | -14 | 15 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | None | ||
| 7157 | 1377 | 114 | None | -14 | 15 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | None | ||
| 814 | 1377 | 114 | None | -14 | 15 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | None | ||
| CHEMBL1172 | 1377 | 114 | None | -14 | 15 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | None | ||
| DB00967 | 1377 | 114 | None | -14 | 15 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | None | ||
| 2284 | 3160 | 33 | None | -7 | 29 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | None | ||
| 4926 | 3160 | 33 | None | -7 | 29 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | None | ||
| 7281 | 3160 | 33 | None | -7 | 29 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | None | ||
| CHEMBL564 | 3160 | 33 | None | -7 | 29 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | None | ||
| DB00420 | 3160 | 33 | None | -7 | 29 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | None | ||
| 2726 | 916 | 68 | None | -10 | 73 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 621 | 916 | 68 | None | -10 | 73 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 83 | 916 | 68 | None | -10 | 73 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| CHEMBL71 | 916 | 68 | None | -10 | 73 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| DB00477 | 916 | 68 | None | -10 | 73 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 73707487 | 216348 | 0 | None | -1 | 9 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 355 | 3 | 1 | 4 | 2.5 | CN1C2CCC1CC(C2)OC(=O)C(C3=CC=CC=C3)O.Br | None | ||
| 2398 | 951 | 62 | None | -2 | 29 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | None | ||
| 2801 | 951 | 62 | None | -2 | 29 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | None | ||
| 701 | 951 | 62 | None | -2 | 29 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | None | ||
| CHEMBL415 | 951 | 62 | None | -2 | 29 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | None | ||
| DB01242 | 951 | 62 | None | -2 | 29 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | None | ||
| 62865 | 1263 | 0 | None | -5 | 15 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 323 | 4 | 0 | 4 | 4.4 | N#Cc1ccc2c(c1)N(CC(CN(C)C)C)c1c(S2)cccc1 | None | ||
| 746 | 1263 | 0 | None | -5 | 15 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 323 | 4 | 0 | 4 | 4.4 | N#Cc1ccc2c(c1)N(CC(CN(C)C)C)c1c(S2)cccc1 | None | ||
| 84 | 1263 | 0 | None | -5 | 15 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 323 | 4 | 0 | 4 | 4.4 | N#Cc1ccc2c(c1)N(CC(CN(C)C)C)c1c(S2)cccc1 | None | ||
| CHEMBL2104153 | 1263 | 0 | None | -5 | 15 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 323 | 4 | 0 | 4 | 4.4 | N#Cc1ccc2c(c1)N(CC(CN(C)C)C)c1c(S2)cccc1 | None | ||
| DB09000 | 1263 | 0 | None | -5 | 15 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 323 | 4 | 0 | 4 | 4.4 | N#Cc1ccc2c(c1)N(CC(CN(C)C)C)c1c(S2)cccc1 | None | ||
| 6075 | 150084 | 42 | None | -2 | 16 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 310 | 2 | 0 | 3 | 4.6 | CN1CCCC(CN2c3ccccc3Sc3ccccc32)C1 | None | ||
| CHEMBL395110 | 150084 | 42 | None | -2 | 16 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 310 | 2 | 0 | 3 | 4.6 | CN1CCCC(CN2c3ccccc3Sc3ccccc32)C1 | None | ||
| 5648 | 78382 | 9 | None | -2 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 306 | 9 | 0 | 2 | 3.8 | CCC(C)C(C(=O)OCC[N+](C)(CC)CC)c1ccccc1 | None | ||
| CHEMBL2107687 | 78382 | 9 | None | -2 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 306 | 9 | 0 | 2 | 3.8 | CCC(C)C(C(=O)OCC[N+](C)(CC)CC)c1ccccc1 | None | ||
| CHEMBL2111176 | 78382 | 9 | None | -2 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 306 | 9 | 0 | 2 | 3.8 | CCC(C)C(C(=O)OCC[N+](C)(CC)CC)c1ccccc1 | None | ||
| 4919 | 206211 | 23 | None | -3 | 9 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 287 | 5 | 1 | 2 | 3.9 | OC(CCN1CCCC1)(c1ccccc1)C1CCCCC1 | None | ||
| CHEMBL86715 | 206211 | 23 | None | -3 | 9 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 287 | 5 | 1 | 2 | 3.9 | OC(CCN1CCCC1)(c1ccccc1)C1CCCCC1 | None | ||
| 4601 | 206724 | 35 | None | -1 | 17 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 269 | 6 | 0 | 2 | 3.7 | Cc1ccccc1C(OCCN(C)C)c1ccccc1 | None | ||
| CHEMBL1201023 | 206724 | 35 | None | -1 | 17 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 269 | 6 | 0 | 2 | 3.7 | Cc1ccccc1C(OCCN(C)C)c1ccccc1 | None | ||
| CHEMBL900 | 206724 | 35 | None | -1 | 17 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 269 | 6 | 0 | 2 | 3.7 | Cc1ccccc1C(OCCN(C)C)c1ccccc1 | None | ||
| 1530 | 2169 | 50 | None | -46 | 21 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | None | ||
| 3827 | 2169 | 50 | None | -46 | 21 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | None | ||
| 7206 | 2169 | 50 | None | -46 | 21 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | None | ||
| CHEMBL534 | 2169 | 50 | None | -46 | 21 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | None | ||
| DB00920 | 2169 | 50 | None | -46 | 21 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | None | ||
| 11968014 | 12726 | 5 | None | -3 | 9 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 303 | 4 | 1 | 5 | 0.9 | CN1[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@@H]1O[C@H]12 | None | ||
| CHEMBL1187846 | 12726 | 5 | None | -3 | 9 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 303 | 4 | 1 | 5 | 0.9 | CN1[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@@H]1O[C@H]12 | None | ||
| 135398737 | 955 | 93 | None | -8 | 92 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 38 | 955 | 93 | None | -8 | 92 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 722 | 955 | 93 | None | -8 | 92 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| CHEMBL42 | 955 | 93 | None | -8 | 92 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| DB00363 | 955 | 93 | None | -8 | 92 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 180 | 400 | 56 | None | -23 | 40 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | None | ||
| 200 | 400 | 56 | None | -23 | 40 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | None | ||
| 2160 | 400 | 56 | None | -23 | 40 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | None | ||
| CHEMBL629 | 400 | 56 | None | -23 | 40 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | None | ||
| DB00321 | 400 | 56 | None | -23 | 40 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | None | ||
| 4904 | 155497 | 48 | None | 1 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 295 | 5 | 1 | 2 | 3.8 | OC(CCN1CCCCC1)(c1ccccc1)c1ccccc1 | None | ||
| CHEMBL404215 | 155497 | 48 | None | 1 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 295 | 5 | 1 | 2 | 3.8 | OC(CCN1CCCCC1)(c1ccccc1)c1ccccc1 | None | ||
| 2028 | 2958 | 80 | None | -5 | 11 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | None | ||
| 359 | 2958 | 80 | None | -5 | 11 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | None | ||
| 4634 | 2958 | 80 | None | -5 | 11 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | None | ||
| CHEMBL1231 | 2958 | 80 | None | -5 | 11 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | None | ||
| DB01062 | 2958 | 80 | None | -5 | 11 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | None | ||
| 100 | 3776 | 58 | None | -4 | 56 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
| 2637 | 3776 | 58 | None | -4 | 56 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
| 5452 | 3776 | 58 | None | -4 | 56 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
| CHEMBL479 | 3776 | 58 | None | -4 | 56 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
| DB00679 | 3776 | 58 | None | -4 | 56 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
| 1225 | 1459 | 26 | 3H-QNB | -83 | 22 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 279 | 3 | 0 | 2 | 4.0 | CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C | None | ||
| 3958 | 1459 | 26 | 3H-QNB | -83 | 22 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 279 | 3 | 0 | 2 | 4.0 | CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C | None | ||
| 667477 | 1459 | 26 | 3H-QNB | -83 | 22 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 279 | 3 | 0 | 2 | 4.0 | CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C | None | ||
| CHEMBL860 | 1459 | 26 | 3H-QNB | -83 | 22 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 279 | 3 | 0 | 2 | 4.0 | CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C | None | ||
| DB01142 | 1459 | 26 | 3H-QNB | -83 | 22 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 279 | 3 | 0 | 2 | 4.0 | CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C | None | ||
| None | 216230 | 0 | 3H-NMS | -2 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 311 | 3 | 1 | 2 | 3.9 | C1CCC(CC1)C(C#CCN2CCCCC2)(C3=CC=CC=C3)O | None | ||
| 135398745 | 2893 | 112 | None | -8 | 66 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| 47 | 2893 | 112 | None | -8 | 66 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| CHEMBL715 | 2893 | 112 | None | -8 | 66 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| DB00334 | 2893 | 112 | None | -8 | 66 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| 2381 | 660 | 48 | None | -12 | 9 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 311 | 5 | 1 | 2 | 4.0 | OC(C1CC2CC1C=C2)(c1ccccc1)CCN1CCCCC1 | None | ||
| 374 | 660 | 48 | None | -12 | 9 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 311 | 5 | 1 | 2 | 4.0 | OC(C1CC2CC1C=C2)(c1ccccc1)CCN1CCCCC1 | None | ||
| 7128 | 660 | 48 | None | -12 | 9 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 311 | 5 | 1 | 2 | 4.0 | OC(C1CC2CC1C=C2)(c1ccccc1)CCN1CCCCC1 | None | ||
| CHEMBL1101 | 660 | 48 | None | -12 | 9 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 311 | 5 | 1 | 2 | 4.0 | OC(C1CC2CC1C=C2)(c1ccccc1)CCN1CCCCC1 | None | ||
| DB00810 | 660 | 48 | None | -12 | 9 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 311 | 5 | 1 | 2 | 4.0 | OC(C1CC2CC1C=C2)(c1ccccc1)CCN1CCCCC1 | None | ||
| 10129 | 3297 | 0 | None | -5 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 597 | 10 | 2 | 6 | 4.8 | O=C(Nc1ccccc1c1ccccc1)OC1CCN(CC1)CCN(C(=O)c1ccc(cc1)CN1CCC(CC1)C(=O)N)C | None | ||
| 11753673 | 3297 | 0 | None | -5 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 597 | 10 | 2 | 6 | 4.8 | O=C(Nc1ccccc1c1ccccc1)OC1CCN(CC1)CCN(C(=O)c1ccc(cc1)CN1CCC(CC1)C(=O)N)C | None | ||
| 5303 | 3297 | 0 | None | -5 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 597 | 10 | 2 | 6 | 4.8 | O=C(Nc1ccccc1c1ccccc1)OC1CCN(CC1)CCN(C(=O)c1ccc(cc1)CN1CCC(CC1)C(=O)N)C | None | ||
| CHEMBL3833319 | 3297 | 0 | None | -5 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 597 | 10 | 2 | 6 | 4.8 | O=C(Nc1ccccc1c1ccccc1)OC1CCN(CC1)CCN(C(=O)c1ccc(cc1)CN1CCC(CC1)C(=O)N)C | None | ||
| DB11855 | 3297 | 0 | None | -5 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 597 | 10 | 2 | 6 | 4.8 | O=C(Nc1ccccc1c1ccccc1)OC1CCN(CC1)CCN(C(=O)c1ccc(cc1)CN1CCC(CC1)C(=O)N)C | None | ||
| 26987 | 946 | 33 | None | -39 | 21 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | None | ||
| 6063 | 946 | 33 | None | -39 | 21 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | None | ||
| 671 | 946 | 33 | None | -39 | 21 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | None | ||
| CHEMBL1626 | 946 | 33 | None | -39 | 21 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | None | ||
| DB00283 | 946 | 33 | None | -39 | 21 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | None | ||
| 1371 | 1910 | 11 | None | -1 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 317 | 4 | 1 | 2 | 2.8 | C[N+]1(C)CCN(CC1)CC(c1ccccc1)(C1CCCCC1)O | None | ||
| 24199 | 1910 | 11 | None | -1 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 317 | 4 | 1 | 2 | 2.8 | C[N+]1(C)CCN(CC1)CC(c1ccccc1)(C1CCCCC1)O | None | ||
| 323 | 1910 | 11 | None | -1 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 317 | 4 | 1 | 2 | 2.8 | C[N+]1(C)CCN(CC1)CC(c1ccccc1)(C1CCCCC1)O | None | ||
| CHEMBL1201325 | 1910 | 11 | None | -1 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 317 | 4 | 1 | 2 | 2.8 | C[N+]1(C)CCN(CC1)CC(c1ccccc1)(C1CCCCC1)O | None | ||
| DB06787 | 1910 | 11 | None | -1 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 317 | 4 | 1 | 2 | 2.8 | C[N+]1(C)CCN(CC1)CC(c1ccccc1)(C1CCCCC1)O | None | ||
| 2286 | 3161 | 51 | None | -1 | 30 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | None | ||
| 4927 | 3161 | 51 | None | -1 | 30 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | None | ||
| 7282 | 3161 | 51 | None | -1 | 30 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | None | ||
| CHEMBL643 | 3161 | 51 | None | -1 | 30 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | None | ||
| DB01069 | 3161 | 51 | None | -1 | 30 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | None | ||
| 1201549 | 594 | 24 | None | -3 | 20 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | None | ||
| 333 | 594 | 24 | None | -3 | 20 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | None | ||
| 7601 | 594 | 24 | None | -3 | 20 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | None | ||
| CHEMBL1201203 | 594 | 24 | None | -3 | 20 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | None | ||
| CHEMBL438151 | 594 | 24 | None | -3 | 20 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | None | ||
| DB00245 | 594 | 24 | None | -3 | 20 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | None | ||
| 277 | 1289 | 62 | None | -7 | 46 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | ||
| 2913 | 1289 | 62 | None | -7 | 46 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | ||
| 765 | 1289 | 62 | None | -7 | 46 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | ||
| CHEMBL516 | 1289 | 62 | None | -7 | 46 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | ||
| DB00434 | 1289 | 62 | None | -7 | 46 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | ||
| 319 | 1312 | 44 | None | -4 | 9 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | None | ||
| 321 | 1312 | 44 | None | -4 | 9 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | None | ||
| 444031 | 1312 | 44 | None | -4 | 9 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | None | ||
| 784 | 1312 | 44 | None | -4 | 9 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | None | ||
| CHEMBL1346 | 1312 | 44 | None | -4 | 9 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | None | ||
| DB00496 | 1312 | 44 | None | -4 | 9 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | None | ||
| 2705 | 3813 | 64 | None | 1 | 10 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | None | ||
| 360 | 3813 | 64 | None | 1 | 10 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | None | ||
| 443879 | 3813 | 64 | None | 1 | 10 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | None | ||
| CHEMBL1382 | 3813 | 64 | None | 1 | 10 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | None | ||
| DB01036 | 3813 | 64 | None | 1 | 10 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | None | ||
| 2705 | 3813 | 64 | None | -1 | 10 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | None | ||
| 360 | 3813 | 64 | None | -1 | 10 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | None | ||
| 443879 | 3813 | 64 | None | -1 | 10 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | None | ||
| CHEMBL1382 | 3813 | 64 | None | -1 | 10 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | None | ||
| DB01036 | 3813 | 64 | None | -1 | 10 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | None | ||
| 3042 | 1402 | 35 | None | -2 | 15 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | None | ||
| 355 | 1402 | 35 | None | -2 | 15 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | None | ||
| 868 | 1402 | 35 | None | -2 | 15 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | None | ||
| CHEMBL1123 | 1402 | 35 | None | -2 | 15 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | None | ||
| DB00804 | 1402 | 35 | None | -2 | 15 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | None | ||
| 25897919 | 55622 | 14 | None | -5 | 8 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 332 | 5 | 1 | 3 | 2.9 | CC(C)[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)C(CO)c1ccccc1)C2 | None | ||
| 657309 | 55622 | 14 | None | -5 | 8 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 332 | 5 | 1 | 3 | 2.9 | CC(C)[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)C(CO)c1ccccc1)C2 | None | ||
| CHEMBL1464005 | 55622 | 14 | None | -5 | 8 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 332 | 5 | 1 | 3 | 2.9 | CC(C)[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)C(CO)c1ccccc1)C2 | None | ||
| CHEMBL1621597 | 55622 | 14 | None | -5 | 8 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 332 | 5 | 1 | 3 | 2.9 | CC(C)[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)C(CO)c1ccccc1)C2 | None | ||
| 11693 | 1814 | 16 | None | -1 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | None | ||
| 3494 | 1814 | 16 | None | -1 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | None | ||
| 4302 | 1814 | 16 | None | -1 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | None | ||
| 7459 | 1814 | 16 | None | -1 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | None | ||
| CHEMBL1201335 | 1814 | 16 | None | -1 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | None | ||
| DB00986 | 1814 | 16 | None | -1 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | None | ||
| 187 | 255 | 39 | 3H-NMS | -25 | 9 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | None | ||
| 294 | 255 | 39 | 3H-NMS | -25 | 9 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | None | ||
| 65 | 255 | 39 | 3H-NMS | -25 | 9 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | None | ||
| 8593 | 255 | 39 | 3H-NMS | -25 | 9 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | None | ||
| CHEMBL667 | 255 | 39 | 3H-NMS | -25 | 9 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | None | ||
| DB03128 | 255 | 39 | 3H-NMS | -25 | 9 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | None | ||
| 135398745 | 2893 | 112 | 35S-GTPGammaS | -8 | 66 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| 47 | 2893 | 112 | 35S-GTPGammaS | -8 | 66 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| CHEMBL715 | 2893 | 112 | 35S-GTPGammaS | -8 | 66 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| DB00334 | 2893 | 112 | 35S-GTPGammaS | -8 | 66 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| 124226 | 1908 | 0 | 3H-NMS | -7 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 315 | 6 | 1 | 2 | 4.7 | OC(c1ccccc1)(C1CCCCC1)CCCN1CCCCC1 | None | ||
| 322 | 1908 | 0 | 3H-NMS | -7 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 315 | 6 | 1 | 2 | 4.7 | OC(c1ccccc1)(C1CCCCC1)CCCN1CCCCC1 | None | ||
| 1427 | 2000 | 54 | 3H-QNB | -2 | 27 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | None | ||
| 357 | 2000 | 54 | 3H-QNB | -2 | 27 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | None | ||
| 3696 | 2000 | 54 | 3H-QNB | -2 | 27 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | None | ||
| CHEMBL11 | 2000 | 54 | 3H-QNB | -2 | 27 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | None | ||
| DB00458 | 2000 | 54 | 3H-QNB | -2 | 27 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | None | ||
| 129989 | 450 | 51 | 3H-NMS | -138 | 9 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 463 | 9 | 1 | 5 | 4.5 | CCN(CCCCC1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | None | ||
| 8584 | 450 | 51 | 3H-NMS | -138 | 9 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 463 | 9 | 1 | 5 | 4.5 | CCN(CCCCC1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | None | ||
| CHEMBL43383 | 450 | 51 | 3H-NMS | -138 | 9 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 463 | 9 | 1 | 5 | 4.5 | CCN(CCCCC1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | None | ||
| 2200 | 3109 | 46 | 3H-NMS | -8 | 13 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 328 | 3109 | 46 | 3H-NMS | -8 | 13 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 4848 | 3109 | 46 | 3H-NMS | -8 | 13 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| CHEMBL9967 | 3109 | 46 | 3H-NMS | -8 | 13 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| DB00670 | 3109 | 46 | 3H-NMS | -8 | 13 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 135398745 | 2893 | 112 | 3H-QNB | -8 | 66 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| 47 | 2893 | 112 | 3H-QNB | -8 | 66 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| CHEMBL715 | 2893 | 112 | 3H-QNB | -8 | 66 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| DB00334 | 2893 | 112 | 3H-QNB | -8 | 66 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| 12057539 | 208018 | 42 | None | -16 | 21 | Rat | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 289 | 4 | 1 | 4 | 1.9 | CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | None | ||
| 3661 | 208018 | 42 | None | -16 | 21 | Rat | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 289 | 4 | 1 | 4 | 1.9 | CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | None | ||
| CHEMBL9751 | 208018 | 42 | None | -16 | 21 | Rat | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 289 | 4 | 1 | 4 | 1.9 | CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | None | ||
| 154417 | 23149 | 60 | None | -1 | 5 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 289 | 4 | 1 | 4 | 1.9 | CN1[C@@H]2CC[C@H]1C[C@@H](OC(=O)[C@H](CO)c1ccccc1)C2 | None | ||
| CHEMBL1331216 | 23149 | 60 | None | -1 | 5 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 289 | 4 | 1 | 4 | 1.9 | CN1[C@@H]2CC[C@H]1C[C@@H](OC(=O)[C@H](CO)c1ccccc1)C2 | None | ||
| 12057539 | 208018 | 42 | None | -1 | 21 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 289 | 4 | 1 | 4 | 1.9 | CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | None | ||
| 3661 | 208018 | 42 | None | -1 | 21 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 289 | 4 | 1 | 4 | 1.9 | CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | None | ||
| CHEMBL9751 | 208018 | 42 | None | -1 | 21 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 289 | 4 | 1 | 4 | 1.9 | CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | None | ||
| 316 | 2816 | 19 | None | -9 | 9 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | None | ||
| 317 | 2816 | 19 | None | -9 | 9 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | None | ||
| 71183 | 2816 | 19 | None | -9 | 9 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | None | ||
| CHEMBL3140030 | 2816 | 19 | None | -9 | 9 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | None | ||
| CHEMBL376897 | 2816 | 19 | None | -9 | 9 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | None | ||
| DB00462 | 2816 | 19 | None | -9 | 9 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | None | ||
| 11519069 | 3908 | 3 | None | -5 | 5 | Human | 8.0 | pKi | = | 8 | Binding | Drug Central | 428 | 8 | 1 | 2 | 5.1 | OC(C12CC[N+](CC1)(CC2)CCOCc1ccccc1)(c1ccccc1)c1ccccc1 | None | ||
| 11519070 | 3908 | 3 | None | -5 | 5 | Human | 8.0 | pKi | = | 8 | Binding | Drug Central | 428 | 8 | 1 | 2 | 5.1 | OC(C12CC[N+](CC1)(CC2)CCOCc1ccccc1)(c1ccccc1)c1ccccc1 | None | ||
| 4816 | 3908 | 3 | None | -5 | 5 | Human | 8.0 | pKi | = | 8 | Binding | Drug Central | 428 | 8 | 1 | 2 | 5.1 | OC(C12CC[N+](CC1)(CC2)CCOCc1ccccc1)(c1ccccc1)c1ccccc1 | None | ||
| 7354 | 3908 | 3 | None | -5 | 5 | Human | 8.0 | pKi | = | 8 | Binding | Drug Central | 428 | 8 | 1 | 2 | 5.1 | OC(C12CC[N+](CC1)(CC2)CCOCc1ccccc1)(c1ccccc1)c1ccccc1 | None | ||
| CHEMBL1187833 | 3908 | 3 | None | -5 | 5 | Human | 8.0 | pKi | = | 8 | Binding | Drug Central | 428 | 8 | 1 | 2 | 5.1 | OC(C12CC[N+](CC1)(CC2)CCOCc1ccccc1)(c1ccccc1)c1ccccc1 | None | ||
| DB09076 | 3908 | 3 | None | -5 | 5 | Human | 8.0 | pKi | = | 8 | Binding | Drug Central | 428 | 8 | 1 | 2 | 5.1 | OC(C12CC[N+](CC1)(CC2)CCOCc1ccccc1)(c1ccccc1)c1ccccc1 | None | ||
| 1613 | 2333 | 53 | 3H-QNB | -14 | 45 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
| 205 | 2333 | 53 | 3H-QNB | -14 | 45 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
| 3964 | 2333 | 53 | 3H-QNB | -14 | 45 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
| CHEMBL831 | 2333 | 53 | 3H-QNB | -14 | 45 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
| DB00408 | 2333 | 53 | 3H-QNB | -14 | 45 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
| 20980871 | 216403 | 0 | 3H-QNB | -22 | 8 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 295 | 3 | 0 | 2 | 4.7 | CN(C)CCC=C1C2=CC=CC=C2CSC3=CC=CC=C31 | None | ||
| None | 216231 | 0 | 3H-NMS | -5 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 851 | 24 | 12 | 12 | -2.6 | CCC(C)C(C(=O)NC(CC(=O)O)C(=O)O)NC(=O)C(CO)NC(=O)C(CC1=CN=CN1)NC(=O)C(CC2=CN=CN2)NC(=O)C(CC3=CC=CC=C3)NC(=O)C4CCCN4 | None | ||
| 135398737 | 955 | 93 | 3H-QNB | -8 | 92 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 38 | 955 | 93 | 3H-QNB | -8 | 92 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 722 | 955 | 93 | 3H-QNB | -8 | 92 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| CHEMBL42 | 955 | 93 | 3H-QNB | -8 | 92 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| DB00363 | 955 | 93 | 3H-QNB | -8 | 92 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 1971 | 2846 | 38 | 3H-QNB | -4 | 30 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | None | ||
| 2404 | 2846 | 38 | 3H-QNB | -4 | 30 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | None | ||
| 4543 | 2846 | 38 | 3H-QNB | -4 | 30 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | None | ||
| CHEMBL445 | 2846 | 38 | 3H-QNB | -4 | 30 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | None | ||
| DB00540 | 2846 | 38 | 3H-QNB | -4 | 30 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | None | ||
| 10104 | 3540 | 12 | None | -25 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | Guide to Pharmacology | 292 | 5 | 0 | 2 | 4.1 | CN(CCC1=C([C@@H](c2ccccn2)C)c2c(C1)cccc2)C | 12593665 | ||
| 6604866 | 3540 | 12 | None | -25 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | Guide to Pharmacology | 292 | 5 | 0 | 2 | 4.1 | CN(CCC1=C([C@@H](c2ccccn2)C)c2c(C1)cccc2)C | 12593665 | ||
| CHEMBL1493369 | 3540 | 12 | None | -25 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | Guide to Pharmacology | 292 | 5 | 0 | 2 | 4.1 | CN(CCC1=C([C@@H](c2ccccn2)C)c2c(C1)cccc2)C | 12593665 | ||
| 10129 | 3297 | 0 | None | -5 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 597 | 10 | 2 | 6 | 4.8 | O=C(Nc1ccccc1c1ccccc1)OC1CCN(CC1)CCN(C(=O)c1ccc(cc1)CN1CCC(CC1)C(=O)N)C | 29736245 | ||
| 11753673 | 3297 | 0 | None | -5 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 597 | 10 | 2 | 6 | 4.8 | O=C(Nc1ccccc1c1ccccc1)OC1CCN(CC1)CCN(C(=O)c1ccc(cc1)CN1CCC(CC1)C(=O)N)C | 29736245 | ||
| 5303 | 3297 | 0 | None | -5 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 597 | 10 | 2 | 6 | 4.8 | O=C(Nc1ccccc1c1ccccc1)OC1CCN(CC1)CCN(C(=O)c1ccc(cc1)CN1CCC(CC1)C(=O)N)C | 29736245 | ||
| CHEMBL3833319 | 3297 | 0 | None | -5 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 597 | 10 | 2 | 6 | 4.8 | O=C(Nc1ccccc1c1ccccc1)OC1CCN(CC1)CCN(C(=O)c1ccc(cc1)CN1CCC(CC1)C(=O)N)C | 29736245 | ||
| DB11855 | 3297 | 0 | None | -5 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 597 | 10 | 2 | 6 | 4.8 | O=C(Nc1ccccc1c1ccccc1)OC1CCN(CC1)CCN(C(=O)c1ccc(cc1)CN1CCC(CC1)C(=O)N)C | 29736245 | ||
| 367 | 3795 | 12 | None | -5 | 8 | Human | 10.0 | pKi | = | 10 | Binding | Guide to Pharmacology | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 21036042 | ||
| 367 | 3795 | 12 | None | -5 | 8 | Human | 10.0 | pKi | = | 10 | Binding | Guide to Pharmacology | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 22854200 | ||
| 5487427 | 3795 | 12 | None | -5 | 8 | Human | 10.0 | pKi | = | 10 | Binding | Guide to Pharmacology | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 21036042 | ||
| 5487427 | 3795 | 12 | None | -5 | 8 | Human | 10.0 | pKi | = | 10 | Binding | Guide to Pharmacology | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 22854200 | ||
| 8592 | 3795 | 12 | None | -5 | 8 | Human | 10.0 | pKi | = | 10 | Binding | Guide to Pharmacology | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 21036042 | ||
| 8592 | 3795 | 12 | None | -5 | 8 | Human | 10.0 | pKi | = | 10 | Binding | Guide to Pharmacology | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 22854200 | ||
| CHEMBL1900528 | 3795 | 12 | None | -5 | 8 | Human | 10.0 | pKi | = | 10 | Binding | Guide to Pharmacology | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 21036042 | ||
| CHEMBL1900528 | 3795 | 12 | None | -5 | 8 | Human | 10.0 | pKi | = | 10 | Binding | Guide to Pharmacology | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 22854200 | ||
| CHEMBL3305968 | 3795 | 12 | None | -5 | 8 | Human | 10.0 | pKi | = | 10 | Binding | Guide to Pharmacology | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 21036042 | ||
| CHEMBL3305968 | 3795 | 12 | None | -5 | 8 | Human | 10.0 | pKi | = | 10 | Binding | Guide to Pharmacology | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 22854200 | ||
| CHEMBL4650755 | 3795 | 12 | None | -5 | 8 | Human | 10.0 | pKi | = | 10 | Binding | Guide to Pharmacology | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 21036042 | ||
| CHEMBL4650755 | 3795 | 12 | None | -5 | 8 | Human | 10.0 | pKi | = | 10 | Binding | Guide to Pharmacology | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 22854200 | ||
| DB01409 | 3795 | 12 | None | -5 | 8 | Human | 10.0 | pKi | = | 10 | Binding | Guide to Pharmacology | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 21036042 | ||
| DB01409 | 3795 | 12 | None | -5 | 8 | Human | 10.0 | pKi | = | 10 | Binding | Guide to Pharmacology | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 22854200 | ||
| 2551 | 791 | 23 | None | -204 | 11 | Human | 4.9 | pKi | = | 4.9 | Binding | Guide to Pharmacology | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10323594 | ||
| 2551 | 791 | 23 | None | -204 | 11 | Human | 4.9 | pKi | = | 4.9 | Binding | Guide to Pharmacology | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 16002459 | ||
| 2551 | 791 | 23 | None | -204 | 11 | Human | 4.9 | pKi | = | 4.9 | Binding | Guide to Pharmacology | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 27461343 | ||
| 298 | 791 | 23 | None | -204 | 11 | Human | 4.9 | pKi | = | 4.9 | Binding | Guide to Pharmacology | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10323594 | ||
| 298 | 791 | 23 | None | -204 | 11 | Human | 4.9 | pKi | = | 4.9 | Binding | Guide to Pharmacology | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 16002459 | ||
| 298 | 791 | 23 | None | -204 | 11 | Human | 4.9 | pKi | = | 4.9 | Binding | Guide to Pharmacology | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 27461343 | ||
| 488 | 791 | 23 | None | -204 | 11 | Human | 4.9 | pKi | = | 4.9 | Binding | Guide to Pharmacology | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10323594 | ||
| 488 | 791 | 23 | None | -204 | 11 | Human | 4.9 | pKi | = | 4.9 | Binding | Guide to Pharmacology | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 16002459 | ||
| 488 | 791 | 23 | None | -204 | 11 | Human | 4.9 | pKi | = | 4.9 | Binding | Guide to Pharmacology | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 27461343 | ||
| CHEMBL965 | 791 | 23 | None | -204 | 11 | Human | 4.9 | pKi | = | 4.9 | Binding | Guide to Pharmacology | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10323594 | ||
| CHEMBL965 | 791 | 23 | None | -204 | 11 | Human | 4.9 | pKi | = | 4.9 | Binding | Guide to Pharmacology | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 16002459 | ||
| CHEMBL965 | 791 | 23 | None | -204 | 11 | Human | 4.9 | pKi | = | 4.9 | Binding | Guide to Pharmacology | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 27461343 | ||
| DB00411 | 791 | 23 | None | -204 | 11 | Human | 4.9 | pKi | = | 4.9 | Binding | Guide to Pharmacology | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10323594 | ||
| DB00411 | 791 | 23 | None | -204 | 11 | Human | 4.9 | pKi | = | 4.9 | Binding | Guide to Pharmacology | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 16002459 | ||
| DB00411 | 791 | 23 | None | -204 | 11 | Human | 4.9 | pKi | = | 4.9 | Binding | Guide to Pharmacology | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 27461343 | ||
| 2166 | 3101 | 49 | None | -28 | 8 | Human | 5.0 | pKi | = | 5 | Binding | Guide to Pharmacology | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 16002459 | ||
| 2166 | 3101 | 49 | None | -28 | 8 | Human | 5.0 | pKi | = | 5 | Binding | Guide to Pharmacology | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 27461343 | ||
| 2166 | 3101 | 49 | None | -28 | 8 | Human | 5.0 | pKi | = | 5 | Binding | Guide to Pharmacology | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 7616422 | ||
| 305 | 3101 | 49 | None | -28 | 8 | Human | 5.0 | pKi | = | 5 | Binding | Guide to Pharmacology | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 16002459 | ||
| 305 | 3101 | 49 | None | -28 | 8 | Human | 5.0 | pKi | = | 5 | Binding | Guide to Pharmacology | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 27461343 | ||
| 305 | 3101 | 49 | None | -28 | 8 | Human | 5.0 | pKi | = | 5 | Binding | Guide to Pharmacology | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 7616422 | ||
| 5910 | 3101 | 49 | None | -28 | 8 | Human | 5.0 | pKi | = | 5 | Binding | Guide to Pharmacology | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 16002459 | ||
| 5910 | 3101 | 49 | None | -28 | 8 | Human | 5.0 | pKi | = | 5 | Binding | Guide to Pharmacology | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 27461343 | ||
| 5910 | 3101 | 49 | None | -28 | 8 | Human | 5.0 | pKi | = | 5 | Binding | Guide to Pharmacology | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 7616422 | ||
| CHEMBL550 | 3101 | 49 | None | -28 | 8 | Human | 5.0 | pKi | = | 5 | Binding | Guide to Pharmacology | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 16002459 | ||
| CHEMBL550 | 3101 | 49 | None | -28 | 8 | Human | 5.0 | pKi | = | 5 | Binding | Guide to Pharmacology | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 27461343 | ||
| CHEMBL550 | 3101 | 49 | None | -28 | 8 | Human | 5.0 | pKi | = | 5 | Binding | Guide to Pharmacology | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 7616422 | ||
| DB01085 | 3101 | 49 | None | -28 | 8 | Human | 5.0 | pKi | = | 5 | Binding | Guide to Pharmacology | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 16002459 | ||
| DB01085 | 3101 | 49 | None | -28 | 8 | Human | 5.0 | pKi | = | 5 | Binding | Guide to Pharmacology | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 27461343 | ||
| DB01085 | 3101 | 49 | None | -28 | 8 | Human | 5.0 | pKi | = | 5 | Binding | Guide to Pharmacology | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 7616422 | ||
| 107867 | 2953 | 55 | None | -32 | 11 | Human | 5.6 | pKi | = | 5.6 | Binding | Guide to Pharmacology | 421 | 6 | 1 | 5 | 3.5 | CCN(CC1CCCCN1CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | 2704370 | ||
| 309 | 2953 | 55 | None | -32 | 11 | Human | 5.6 | pKi | = | 5.6 | Binding | Guide to Pharmacology | 421 | 6 | 1 | 5 | 3.5 | CCN(CC1CCCCN1CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | 2704370 | ||
| CHEMBL17045 | 2953 | 55 | None | -32 | 11 | Human | 5.6 | pKi | = | 5.6 | Binding | Guide to Pharmacology | 421 | 6 | 1 | 5 | 3.5 | CCN(CC1CCCCN1CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | 2704370 | ||
| 24768606 | 3999 | 58 | None | -158 | 5 | Human | 5.6 | pKi | = | 5.6 | Binding | Guide to Pharmacology | 432 | 6 | 1 | 8 | 1.1 | O=C(N1CCN(CC1)c1ccncc1)CCNS(=O)(=O)c1cccc2c1nsn2 | 19407080 | ||
| 3274 | 3999 | 58 | None | -158 | 5 | Human | 5.6 | pKi | = | 5.6 | Binding | Guide to Pharmacology | 432 | 6 | 1 | 8 | 1.1 | O=C(N1CCN(CC1)c1ccncc1)CCNS(=O)(=O)c1cccc2c1nsn2 | 19407080 | ||
| CHEMBL1628667 | 3999 | 58 | None | -158 | 5 | Human | 5.6 | pKi | = | 5.6 | Binding | Guide to Pharmacology | 432 | 6 | 1 | 8 | 1.1 | O=C(N1CCN(CC1)c1ccncc1)CCNS(=O)(=O)c1cccc2c1nsn2 | 19407080 | ||
| 324 | 1912 | 15 | None | -138 | 9 | Human | 6.0 | pKi | = | 6.0 | Binding | Guide to Pharmacology | 345 | 2 | 0 | 3 | 4.4 | C[C@@H]1OC(=O)[C@@H]2[C@H]1[C@H](/C=C/[C@H]1CCC[C@@H](N1C)C)[C@H]1CCCC[C@@H]1C2 | 1331410 | ||
| 324 | 1912 | 15 | None | -138 | 9 | Human | 6.0 | pKi | = | 6.0 | Binding | Guide to Pharmacology | 345 | 2 | 0 | 3 | 4.4 | C[C@@H]1OC(=O)[C@@H]2[C@H]1[C@H](/C=C/[C@H]1CCC[C@@H](N1C)C)[C@H]1CCCC[C@@H]1C2 | 1994002 | ||
| 324 | 1912 | 15 | None | -138 | 9 | Human | 6.0 | pKi | = | 6.0 | Binding | Guide to Pharmacology | 345 | 2 | 0 | 3 | 4.4 | C[C@@H]1OC(=O)[C@@H]2[C@H]1[C@H](/C=C/[C@H]1CCC[C@@H](N1C)C)[C@H]1CCCC[C@@H]1C2 | 7925952 | ||
| 6436265 | 1912 | 15 | None | -138 | 9 | Human | 6.0 | pKi | = | 6.0 | Binding | Guide to Pharmacology | 345 | 2 | 0 | 3 | 4.4 | C[C@@H]1OC(=O)[C@@H]2[C@H]1[C@H](/C=C/[C@H]1CCC[C@@H](N1C)C)[C@H]1CCCC[C@@H]1C2 | 1331410 | ||
| 6436265 | 1912 | 15 | None | -138 | 9 | Human | 6.0 | pKi | = | 6.0 | Binding | Guide to Pharmacology | 345 | 2 | 0 | 3 | 4.4 | C[C@@H]1OC(=O)[C@@H]2[C@H]1[C@H](/C=C/[C@H]1CCC[C@@H](N1C)C)[C@H]1CCCC[C@@H]1C2 | 1994002 | ||
| 6436265 | 1912 | 15 | None | -138 | 9 | Human | 6.0 | pKi | = | 6.0 | Binding | Guide to Pharmacology | 345 | 2 | 0 | 3 | 4.4 | C[C@@H]1OC(=O)[C@@H]2[C@H]1[C@H](/C=C/[C@H]1CCC[C@@H](N1C)C)[C@H]1CCCC[C@@H]1C2 | 7925952 | ||
| CHEMBL277642 | 1912 | 15 | None | -138 | 9 | Human | 6.0 | pKi | = | 6.0 | Binding | Guide to Pharmacology | 345 | 2 | 0 | 3 | 4.4 | C[C@@H]1OC(=O)[C@@H]2[C@H]1[C@H](/C=C/[C@H]1CCC[C@@H](N1C)C)[C@H]1CCCC[C@@H]1C2 | 1331410 | ||
| CHEMBL277642 | 1912 | 15 | None | -138 | 9 | Human | 6.0 | pKi | = | 6.0 | Binding | Guide to Pharmacology | 345 | 2 | 0 | 3 | 4.4 | C[C@@H]1OC(=O)[C@@H]2[C@H]1[C@H](/C=C/[C@H]1CCC[C@@H](N1C)C)[C@H]1CCCC[C@@H]1C2 | 1994002 | ||
| CHEMBL277642 | 1912 | 15 | None | -138 | 9 | Human | 6.0 | pKi | = | 6.0 | Binding | Guide to Pharmacology | 345 | 2 | 0 | 3 | 4.4 | C[C@@H]1OC(=O)[C@@H]2[C@H]1[C@H](/C=C/[C@H]1CCC[C@@H](N1C)C)[C@H]1CCCC[C@@H]1C2 | 7925952 | ||
| 187 | 255 | 39 | None | -25 | 9 | Human | 6.1 | pKi | = | 6.1 | Binding | Guide to Pharmacology | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 12235229 | ||
| 294 | 255 | 39 | None | -25 | 9 | Human | 6.1 | pKi | = | 6.1 | Binding | Guide to Pharmacology | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 12235229 | ||
| 65 | 255 | 39 | None | -25 | 9 | Human | 6.1 | pKi | = | 6.1 | Binding | Guide to Pharmacology | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 12235229 | ||
| 8593 | 255 | 39 | None | -25 | 9 | Human | 6.1 | pKi | = | 6.1 | Binding | Guide to Pharmacology | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 12235229 | ||
| CHEMBL667 | 255 | 39 | None | -25 | 9 | Human | 6.1 | pKi | = | 6.1 | Binding | Guide to Pharmacology | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 12235229 | ||
| DB03128 | 255 | 39 | None | -25 | 9 | Human | 6.1 | pKi | = | 6.1 | Binding | Guide to Pharmacology | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 12235229 | ||
| 119357 | 303 | 49 | None | -131 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 478 | 9 | 2 | 5 | 4.5 | CCCN(CC1CCCCN1CCNC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CCC | 1994002 | ||
| 3264 | 303 | 49 | None | -131 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 478 | 9 | 2 | 5 | 4.5 | CCCN(CC1CCCCN1CCNC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CCC | 1994002 | ||
| 368 | 303 | 49 | None | -131 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 478 | 9 | 2 | 5 | 4.5 | CCCN(CC1CCCCN1CCNC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CCC | 1994002 | ||
| CHEMBL279453 | 303 | 49 | None | -131 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 478 | 9 | 2 | 5 | 4.5 | CCCN(CC1CCCCN1CCNC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CCC | 1994002 | ||
| 42519285 | 2560 | 15 | None | 19 | 5 | Human | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 379 | 7 | 0 | 6 | 3.7 | CN(C(=O)c1noc(c1)COc1cccc(c1)C(=O)C)[C@H](c1ccccn1)C | 24692176 | ||
| 8591 | 2560 | 15 | None | 19 | 5 | Human | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 379 | 7 | 0 | 6 | 3.7 | CN(C(=O)c1noc(c1)COc1cccc(c1)C(=O)C)[C@H](c1ccccn1)C | 24692176 | ||
| CHEMBL3185781 | 2560 | 15 | None | 19 | 5 | Human | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 379 | 7 | 0 | 6 | 3.7 | CN(C(=O)c1noc(c1)COc1cccc(c1)C(=O)C)[C@H](c1ccccn1)C | 24692176 | ||
| 2774 | 3839 | 95 | None | -4 | 10 | Human | 6.4 | pKi | = | 6.4 | Binding | Guide to Pharmacology | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | 27085897 | ||
| 5593 | 3839 | 95 | None | -4 | 10 | Human | 6.4 | pKi | = | 6.4 | Binding | Guide to Pharmacology | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | 27085897 | ||
| 7319 | 3839 | 95 | None | -4 | 10 | Human | 6.4 | pKi | = | 6.4 | Binding | Guide to Pharmacology | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | 27085897 | ||
| CHEMBL1200604 | 3839 | 95 | None | -4 | 10 | Human | 6.4 | pKi | = | 6.4 | Binding | Guide to Pharmacology | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | 27085897 | ||
| DB00809 | 3839 | 95 | None | -4 | 10 | Human | 6.4 | pKi | = | 6.4 | Binding | Guide to Pharmacology | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | 27085897 | ||
| DB01199 | 3839 | 95 | None | -4 | 10 | Human | 6.4 | pKi | = | 6.4 | Binding | Guide to Pharmacology | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | 27085897 | ||
| 154734599 | 2486 | 12 | None | -15 | 12 | Human | 6.8 | pKi | = | 6.8 | Binding | Guide to Pharmacology | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 1994002 | ||
| 154734599 | 2486 | 12 | None | -15 | 12 | Human | 6.8 | pKi | = | 6.8 | Binding | Guide to Pharmacology | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 2704370 | ||
| 154734599 | 2486 | 12 | None | -15 | 12 | Human | 6.8 | pKi | = | 6.8 | Binding | Guide to Pharmacology | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 8759038 | ||
| 154734599 | 2486 | 12 | None | -15 | 12 | Human | 6.8 | pKi | = | 6.8 | Binding | Guide to Pharmacology | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 9113359 | ||
| 327 | 2486 | 12 | None | -15 | 12 | Human | 6.8 | pKi | = | 6.8 | Binding | Guide to Pharmacology | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 1994002 | ||
| 327 | 2486 | 12 | None | -15 | 12 | Human | 6.8 | pKi | = | 6.8 | Binding | Guide to Pharmacology | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 2704370 | ||
| 327 | 2486 | 12 | None | -15 | 12 | Human | 6.8 | pKi | = | 6.8 | Binding | Guide to Pharmacology | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 8759038 | ||
| 327 | 2486 | 12 | None | -15 | 12 | Human | 6.8 | pKi | = | 6.8 | Binding | Guide to Pharmacology | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 9113359 | ||
| 4108 | 2486 | 12 | None | -15 | 12 | Human | 6.8 | pKi | = | 6.8 | Binding | Guide to Pharmacology | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 1994002 | ||
| 4108 | 2486 | 12 | None | -15 | 12 | Human | 6.8 | pKi | = | 6.8 | Binding | Guide to Pharmacology | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 2704370 | ||
| 4108 | 2486 | 12 | None | -15 | 12 | Human | 6.8 | pKi | = | 6.8 | Binding | Guide to Pharmacology | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 8759038 | ||
| 4108 | 2486 | 12 | None | -15 | 12 | Human | 6.8 | pKi | = | 6.8 | Binding | Guide to Pharmacology | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 9113359 | ||
| CHEMBL27673 | 2486 | 12 | None | -15 | 12 | Human | 6.8 | pKi | = | 6.8 | Binding | Guide to Pharmacology | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 1994002 | ||
| CHEMBL27673 | 2486 | 12 | None | -15 | 12 | Human | 6.8 | pKi | = | 6.8 | Binding | Guide to Pharmacology | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 2704370 | ||
| CHEMBL27673 | 2486 | 12 | None | -15 | 12 | Human | 6.8 | pKi | = | 6.8 | Binding | Guide to Pharmacology | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 8759038 | ||
| CHEMBL27673 | 2486 | 12 | None | -15 | 12 | Human | 6.8 | pKi | = | 6.8 | Binding | Guide to Pharmacology | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 9113359 | ||
| 129989 | 450 | 51 | None | -138 | 9 | Human | 7.0 | pKi | = | 7.0 | Binding | Guide to Pharmacology | 463 | 9 | 1 | 5 | 4.5 | CCN(CCCCC1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | 1994002 | ||
| 129989 | 450 | 51 | None | -138 | 9 | Human | 7.0 | pKi | = | 7.0 | Binding | Guide to Pharmacology | 463 | 9 | 1 | 5 | 4.5 | CCN(CCCCC1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | 9671109 | ||
| 8584 | 450 | 51 | None | -138 | 9 | Human | 7.0 | pKi | = | 7.0 | Binding | Guide to Pharmacology | 463 | 9 | 1 | 5 | 4.5 | CCN(CCCCC1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | 1994002 | ||
| 8584 | 450 | 51 | None | -138 | 9 | Human | 7.0 | pKi | = | 7.0 | Binding | Guide to Pharmacology | 463 | 9 | 1 | 5 | 4.5 | CCN(CCCCC1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | 9671109 | ||
| CHEMBL43383 | 450 | 51 | None | -138 | 9 | Human | 7.0 | pKi | = | 7.0 | Binding | Guide to Pharmacology | 463 | 9 | 1 | 5 | 4.5 | CCN(CCCCC1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | 1994002 | ||
| CHEMBL43383 | 450 | 51 | None | -138 | 9 | Human | 7.0 | pKi | = | 7.0 | Binding | Guide to Pharmacology | 463 | 9 | 1 | 5 | 4.5 | CCN(CCCCC1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | 9671109 | ||
| 2200 | 3109 | 46 | None | -8 | 13 | Human | 7.0 | pKi | = | 7.0 | Binding | Guide to Pharmacology | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 2043926 | ||
| 2200 | 3109 | 46 | None | -8 | 13 | Human | 7.0 | pKi | = | 7.0 | Binding | Guide to Pharmacology | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 7925952 | ||
| 2200 | 3109 | 46 | None | -8 | 13 | Human | 7.0 | pKi | = | 7.0 | Binding | Guide to Pharmacology | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 9113359 | ||
| 328 | 3109 | 46 | None | -8 | 13 | Human | 7.0 | pKi | = | 7.0 | Binding | Guide to Pharmacology | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 2043926 | ||
| 328 | 3109 | 46 | None | -8 | 13 | Human | 7.0 | pKi | = | 7.0 | Binding | Guide to Pharmacology | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 7925952 | ||
| 328 | 3109 | 46 | None | -8 | 13 | Human | 7.0 | pKi | = | 7.0 | Binding | Guide to Pharmacology | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 9113359 | ||
| 4848 | 3109 | 46 | None | -8 | 13 | Human | 7.0 | pKi | = | 7.0 | Binding | Guide to Pharmacology | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 2043926 | ||
| 4848 | 3109 | 46 | None | -8 | 13 | Human | 7.0 | pKi | = | 7.0 | Binding | Guide to Pharmacology | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 7925952 | ||
| 4848 | 3109 | 46 | None | -8 | 13 | Human | 7.0 | pKi | = | 7.0 | Binding | Guide to Pharmacology | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 9113359 | ||
| CHEMBL9967 | 3109 | 46 | None | -8 | 13 | Human | 7.0 | pKi | = | 7.0 | Binding | Guide to Pharmacology | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 2043926 | ||
| CHEMBL9967 | 3109 | 46 | None | -8 | 13 | Human | 7.0 | pKi | = | 7.0 | Binding | Guide to Pharmacology | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 7925952 | ||
| CHEMBL9967 | 3109 | 46 | None | -8 | 13 | Human | 7.0 | pKi | = | 7.0 | Binding | Guide to Pharmacology | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 9113359 | ||
| DB00670 | 3109 | 46 | None | -8 | 13 | Human | 7.0 | pKi | = | 7.0 | Binding | Guide to Pharmacology | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 2043926 | ||
| DB00670 | 3109 | 46 | None | -8 | 13 | Human | 7.0 | pKi | = | 7.0 | Binding | Guide to Pharmacology | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 7925952 | ||
| DB00670 | 3109 | 46 | None | -8 | 13 | Human | 7.0 | pKi | = | 7.0 | Binding | Guide to Pharmacology | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 9113359 | ||
| 5282426 | 1454 | 0 | None | -22 | 6 | Human | 7.0 | pKi | = | 7.0 | Binding | Guide to Pharmacology | 295 | 3 | 0 | 2 | 4.7 | CN(CC/C=C/1\c2ccccc2SCc2c1cccc2)C | 8100134 | ||
| 7549 | 1454 | 0 | None | -22 | 6 | Human | 7.0 | pKi | = | 7.0 | Binding | Guide to Pharmacology | 295 | 3 | 0 | 2 | 4.7 | CN(CC/C=C/1\c2ccccc2SCc2c1cccc2)C | 8100134 | ||
| CHEMBL108947 | 1454 | 0 | None | -22 | 6 | Human | 7.0 | pKi | = | 7.0 | Binding | Guide to Pharmacology | 295 | 3 | 0 | 2 | 4.7 | CN(CC/C=C/1\c2ccccc2SCc2c1cccc2)C | 8100134 | ||
| 3652 | 4066 | 79 | None | -13 | 18 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10323594 | ||
| 3652 | 4066 | 79 | None | -13 | 18 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 16002459 | ||
| 3652 | 4066 | 79 | None | -13 | 18 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 36782010 | ||
| 3652 | 4066 | 79 | None | -13 | 18 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 9884068 | ||
| 57 | 4066 | 79 | None | -13 | 18 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10323594 | ||
| 57 | 4066 | 79 | None | -13 | 18 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 16002459 | ||
| 57 | 4066 | 79 | None | -13 | 18 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 36782010 | ||
| 57 | 4066 | 79 | None | -13 | 18 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 9884068 | ||
| 60809 | 4066 | 79 | None | -13 | 18 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10323594 | ||
| 60809 | 4066 | 79 | None | -13 | 18 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 16002459 | ||
| 60809 | 4066 | 79 | None | -13 | 18 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 36782010 | ||
| 60809 | 4066 | 79 | None | -13 | 18 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 9884068 | ||
| CHEMBL21536 | 4066 | 79 | None | -13 | 18 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10323594 | ||
| CHEMBL21536 | 4066 | 79 | None | -13 | 18 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 16002459 | ||
| CHEMBL21536 | 4066 | 79 | None | -13 | 18 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 36782010 | ||
| CHEMBL21536 | 4066 | 79 | None | -13 | 18 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 9884068 | ||
| DB15357 | 4066 | 79 | None | -13 | 18 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10323594 | ||
| DB15357 | 4066 | 79 | None | -13 | 18 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 16002459 | ||
| DB15357 | 4066 | 79 | None | -13 | 18 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 36782010 | ||
| DB15357 | 4066 | 79 | None | -13 | 18 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 9884068 | ||
| 154059 | 3610 | 51 | None | -3 | 8 | Human | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 362 | 2 | 0 | 3 | 3.9 | O=C(N1CCc2c([C@@H]1c1ccccc1)cccc2)O[C@H]1CN2CCC1CC2 | 20590605 | ||
| 2457 | 3610 | 51 | None | -3 | 8 | Human | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 362 | 2 | 0 | 3 | 3.9 | O=C(N1CCc2c([C@@H]1c1ccccc1)cccc2)O[C@H]1CN2CCC1CC2 | 20590605 | ||
| 7483 | 3610 | 51 | None | -3 | 8 | Human | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 362 | 2 | 0 | 3 | 3.9 | O=C(N1CCc2c([C@@H]1c1ccccc1)cccc2)O[C@H]1CN2CCC1CC2 | 20590605 | ||
| CHEMBL1734 | 3610 | 51 | None | -3 | 8 | Human | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 362 | 2 | 0 | 3 | 3.9 | O=C(N1CCc2c([C@@H]1c1ccccc1)cccc2)O[C@H]1CN2CCC1CC2 | 20590605 | ||
| DB01591 | 3610 | 51 | None | -3 | 8 | Human | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 362 | 2 | 0 | 3 | 3.9 | O=C(N1CCc2c([C@@H]1c1ccccc1)cccc2)O[C@H]1CN2CCC1CC2 | 20590605 | ||
| 132947 | 3835 | 9 | None | -134 | 9 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 1124 | 29 | 4 | 13 | 10.2 | CN(CCCCCCNCC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)CCCCCCCCN(CCCCCCN(CC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)CC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)C | 7805774 | ||
| 361 | 3835 | 9 | None | -134 | 9 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 1124 | 29 | 4 | 13 | 10.2 | CN(CCCCCCNCC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)CCCCCCCCN(CCCCCCN(CC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)CC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)C | 7805774 | ||
| CHEMBL265256 | 3835 | 9 | None | -134 | 9 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 1124 | 29 | 4 | 13 | 10.2 | CN(CCCCCCNCC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)CCCCCCCCN(CCCCCCN(CC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)CC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)C | 7805774 | ||
| 180 | 400 | 56 | None | -23 | 40 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | 8100134 | ||
| 200 | 400 | 56 | None | -23 | 40 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | 8100134 | ||
| 2160 | 400 | 56 | None | -23 | 40 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | 8100134 | ||
| CHEMBL629 | 400 | 56 | None | -23 | 40 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | 8100134 | ||
| DB00321 | 400 | 56 | None | -23 | 40 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | 8100134 | ||
| 2028 | 2958 | 80 | None | -5 | 11 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | 20590605 | ||
| 2028 | 2958 | 80 | None | -5 | 11 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | 22243489 | ||
| 359 | 2958 | 80 | None | -5 | 11 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | 20590605 | ||
| 359 | 2958 | 80 | None | -5 | 11 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | 22243489 | ||
| 4634 | 2958 | 80 | None | -5 | 11 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | 20590605 | ||
| 4634 | 2958 | 80 | None | -5 | 11 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | 22243489 | ||
| CHEMBL1231 | 2958 | 80 | None | -5 | 11 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | 20590605 | ||
| CHEMBL1231 | 2958 | 80 | None | -5 | 11 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | 22243489 | ||
| DB01062 | 2958 | 80 | None | -5 | 11 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | 20590605 | ||
| DB01062 | 2958 | 80 | None | -5 | 11 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | 22243489 | ||
| 319 | 1312 | 44 | None | -4 | 9 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 11303071 | ||
| 319 | 1312 | 44 | None | -4 | 9 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 20590605 | ||
| 319 | 1312 | 44 | None | -4 | 9 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 9671109 | ||
| 321 | 1312 | 44 | None | -4 | 9 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 11303071 | ||
| 321 | 1312 | 44 | None | -4 | 9 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 20590605 | ||
| 321 | 1312 | 44 | None | -4 | 9 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 9671109 | ||
| 444031 | 1312 | 44 | None | -4 | 9 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 11303071 | ||
| 444031 | 1312 | 44 | None | -4 | 9 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 20590605 | ||
| 444031 | 1312 | 44 | None | -4 | 9 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 9671109 | ||
| 784 | 1312 | 44 | None | -4 | 9 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 11303071 | ||
| 784 | 1312 | 44 | None | -4 | 9 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 20590605 | ||
| 784 | 1312 | 44 | None | -4 | 9 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 9671109 | ||
| CHEMBL1346 | 1312 | 44 | None | -4 | 9 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 11303071 | ||
| CHEMBL1346 | 1312 | 44 | None | -4 | 9 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 20590605 | ||
| CHEMBL1346 | 1312 | 44 | None | -4 | 9 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 9671109 | ||
| DB00496 | 1312 | 44 | None | -4 | 9 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 11303071 | ||
| DB00496 | 1312 | 44 | None | -4 | 9 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 20590605 | ||
| DB00496 | 1312 | 44 | None | -4 | 9 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 9671109 | ||
| 129140 | 3903 | 0 | None | -1 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 383 | 2 | 1 | 3 | 4.3 | CN1CCC(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1c(Cl)ccc2 | 2043926 | ||
| 129140 | 3903 | 0 | None | -1 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 383 | 2 | 1 | 3 | 4.3 | CN1CCC(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1c(Cl)ccc2 | 9671109 | ||
| 8583 | 3903 | 0 | None | -1 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 383 | 2 | 1 | 3 | 4.3 | CN1CCC(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1c(Cl)ccc2 | 2043926 | ||
| 8583 | 3903 | 0 | None | -1 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 383 | 2 | 1 | 3 | 4.3 | CN1CCC(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1c(Cl)ccc2 | 9671109 | ||
| 2705 | 3813 | 64 | None | 1 | 10 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | 20590605 | ||
| 2705 | 3813 | 64 | None | 1 | 10 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | 9671109 | ||
| 360 | 3813 | 64 | None | 1 | 10 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | 20590605 | ||
| 360 | 3813 | 64 | None | 1 | 10 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | 9671109 | ||
| 443879 | 3813 | 64 | None | 1 | 10 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | 20590605 | ||
| 443879 | 3813 | 64 | None | 1 | 10 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | 9671109 | ||
| CHEMBL1382 | 3813 | 64 | None | 1 | 10 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | 20590605 | ||
| CHEMBL1382 | 3813 | 64 | None | 1 | 10 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | 9671109 | ||
| DB01036 | 3813 | 64 | None | 1 | 10 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | 20590605 | ||
| DB01036 | 3813 | 64 | None | 1 | 10 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | 9671109 | ||
| 3000322 | 3536 | 38 | None | -5 | 6 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 303 | 4 | 1 | 5 | 0.9 | OC[C@H](c1ccccc1)C(=O)O[C@@H]1C[C@H]2N([C@@H](C1)[C@H]1[C@@H]2O1)C | 1346637 | ||
| 330 | 3536 | 38 | None | -5 | 6 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 303 | 4 | 1 | 5 | 0.9 | OC[C@H](c1ccccc1)C(=O)O[C@@H]1C[C@H]2N([C@@H](C1)[C@H]1[C@@H]2O1)C | 1346637 | ||
| CHEMBL569713 | 3536 | 38 | None | -5 | 6 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 303 | 4 | 1 | 5 | 0.9 | OC[C@H](c1ccccc1)C(=O)O[C@@H]1C[C@H]2N([C@@H](C1)[C@H]1[C@@H]2O1)C | 1346637 | ||
| DB00747 | 3536 | 38 | None | -5 | 6 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 303 | 4 | 1 | 5 | 0.9 | OC[C@H](c1ccccc1)C(=O)O[C@@H]1C[C@H]2N([C@@H](C1)[C@H]1[C@@H]2O1)C | 1346637 | ||
| 174174 | 521 | 49 | None | -2 | 14 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10374898 | ||
| 174174 | 521 | 49 | None | -2 | 14 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 11303071 | ||
| 174174 | 521 | 49 | None | -2 | 14 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 27085897 | ||
| 260 | 521 | 49 | None | -2 | 14 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10374898 | ||
| 260 | 521 | 49 | None | -2 | 14 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 11303071 | ||
| 260 | 521 | 49 | None | -2 | 14 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 27085897 | ||
| 320 | 521 | 49 | None | -2 | 14 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10374898 | ||
| 320 | 521 | 49 | None | -2 | 14 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 11303071 | ||
| 320 | 521 | 49 | None | -2 | 14 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 27085897 | ||
| CHEMBL517712 | 521 | 49 | None | -2 | 14 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10374898 | ||
| CHEMBL517712 | 521 | 49 | None | -2 | 14 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 11303071 | ||
| CHEMBL517712 | 521 | 49 | None | -2 | 14 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 27085897 | ||
| DB00572 | 521 | 49 | None | -2 | 14 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10374898 | ||
| DB00572 | 521 | 49 | None | -2 | 14 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 11303071 | ||
| DB00572 | 521 | 49 | None | -2 | 14 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 27085897 | ||
| 325 | 2049 | 0 | None | -7 | 9 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 332 | 5 | 1 | 3 | 2.9 | OCC(c1ccccc1)C(=O)OC1CC2CCC(C1)[N+]2(C)C(C)C | 11303071 | ||
| 3746 | 2049 | 0 | None | -7 | 9 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 332 | 5 | 1 | 3 | 2.9 | OCC(c1ccccc1)C(=O)OC1CC2CCC(C1)[N+]2(C)C(C)C | 11303071 | ||
| 657308 | 2049 | 0 | None | -7 | 9 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 332 | 5 | 1 | 3 | 2.9 | OCC(c1ccccc1)C(=O)OC1CC2CCC(C1)[N+]2(C)C(C)C | 11303071 | ||
| CHEMBL1615433 | 2049 | 0 | None | -7 | 9 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 332 | 5 | 1 | 3 | 2.9 | OCC(c1ccccc1)C(=O)OC1CC2CCC(C1)[N+]2(C)C(C)C | 11303071 | ||
| DB00332 | 2049 | 0 | None | -7 | 9 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 332 | 5 | 1 | 3 | 2.9 | OCC(c1ccccc1)C(=O)OC1CC2CCC(C1)[N+]2(C)C(C)C | 11303071 | ||
| 1734 | 116 | 10 | None | -1 | 13 | Human | 9.0 | pKi | = | 9 | Binding | Guide to Pharmacology | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | 1994002 | ||
| 307 | 116 | 10 | None | -1 | 13 | Human | 9.0 | pKi | = | 9 | Binding | Guide to Pharmacology | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | 1994002 | ||
| CHEMBL168067 | 116 | 10 | None | -1 | 13 | Human | 9.0 | pKi | = | 9 | Binding | Guide to Pharmacology | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | 1994002 | ||
| 11693 | 1814 | 16 | None | -1 | 5 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | 21036043 | ||
| 11693 | 1814 | 16 | None | -1 | 5 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | 22854200 | ||
| 3494 | 1814 | 16 | None | -1 | 5 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | 21036043 | ||
| 3494 | 1814 | 16 | None | -1 | 5 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | 22854200 | ||
| 4302 | 1814 | 16 | None | -1 | 5 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | 21036043 | ||
| 4302 | 1814 | 16 | None | -1 | 5 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | 22854200 | ||
| 7459 | 1814 | 16 | None | -1 | 5 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | 21036043 | ||
| 7459 | 1814 | 16 | None | -1 | 5 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | 22854200 | ||
| CHEMBL1201335 | 1814 | 16 | None | -1 | 5 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | 21036043 | ||
| CHEMBL1201335 | 1814 | 16 | None | -1 | 5 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | 22854200 | ||
| DB00986 | 1814 | 16 | None | -1 | 5 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | 21036043 | ||
| DB00986 | 1814 | 16 | None | -1 | 5 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | 22854200 | ||
| 8586 | 300 | 0 | None | -2 | 4 | Human | 9.5 | pKi | = | 9.5 | Binding | Guide to Pharmacology | 336 | 5 | 2 | 3 | 1.8 | CN(C(=O)C(c1ccccc1)(c1ccccc1)O)C[C@@H]1[C@H]2[C@@H]1CNC2 | 20590605 | ||
| 9862598 | 300 | 0 | None | -2 | 4 | Human | 9.5 | pKi | = | 9.5 | Binding | Guide to Pharmacology | 336 | 5 | 2 | 3 | 1.8 | CN(C(=O)C(c1ccccc1)(c1ccccc1)O)C[C@@H]1[C@H]2[C@@H]1CNC2 | 20590605 | ||
| 11434515 | 261 | 6 | None | -1 | 5 | Human | 9.9 | pKi | = | 9.9 | Binding | Guide to Pharmacology | 484 | 9 | 1 | 6 | 4.7 | O=C(C(c1cccs1)(c1cccs1)O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2 | 21036042 | ||
| 11519741 | 261 | 6 | None | -1 | 5 | Human | 9.9 | pKi | = | 9.9 | Binding | Guide to Pharmacology | 484 | 9 | 1 | 6 | 4.7 | O=C(C(c1cccs1)(c1cccs1)O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2 | 21036042 | ||
| 4484 | 261 | 6 | None | -1 | 5 | Human | 9.9 | pKi | = | 9.9 | Binding | Guide to Pharmacology | 484 | 9 | 1 | 6 | 4.7 | O=C(C(c1cccs1)(c1cccs1)O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2 | 21036042 | ||
| 7449 | 261 | 6 | None | -1 | 5 | Human | 9.9 | pKi | = | 9.9 | Binding | Guide to Pharmacology | 484 | 9 | 1 | 6 | 4.7 | O=C(C(c1cccs1)(c1cccs1)O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2 | 21036042 | ||
| CHEMBL1194325 | 261 | 6 | None | -1 | 5 | Human | 9.9 | pKi | = | 9.9 | Binding | Guide to Pharmacology | 484 | 9 | 1 | 6 | 4.7 | O=C(C(c1cccs1)(c1cccs1)O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2 | 21036042 | ||
| DB08897 | 261 | 6 | None | -1 | 5 | Human | 9.9 | pKi | = | 9.9 | Binding | Guide to Pharmacology | 484 | 9 | 1 | 6 | 4.7 | O=C(C(c1cccs1)(c1cccs1)O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2 | 21036042 | ||
| 11519069 | 3908 | 3 | None | -5 | 5 | Human | 9.9 | pKi | = | 9.9 | Binding | Guide to Pharmacology | 428 | 8 | 1 | 2 | 5.1 | OC(C12CC[N+](CC1)(CC2)CCOCc1ccccc1)(c1ccccc1)c1ccccc1 | 23435542 | ||
| 11519070 | 3908 | 3 | None | -5 | 5 | Human | 9.9 | pKi | = | 9.9 | Binding | Guide to Pharmacology | 428 | 8 | 1 | 2 | 5.1 | OC(C12CC[N+](CC1)(CC2)CCOCc1ccccc1)(c1ccccc1)c1ccccc1 | 23435542 | ||
| 4816 | 3908 | 3 | None | -5 | 5 | Human | 9.9 | pKi | = | 9.9 | Binding | Guide to Pharmacology | 428 | 8 | 1 | 2 | 5.1 | OC(C12CC[N+](CC1)(CC2)CCOCc1ccccc1)(c1ccccc1)c1ccccc1 | 23435542 | ||
| 7354 | 3908 | 3 | None | -5 | 5 | Human | 9.9 | pKi | = | 9.9 | Binding | Guide to Pharmacology | 428 | 8 | 1 | 2 | 5.1 | OC(C12CC[N+](CC1)(CC2)CCOCc1ccccc1)(c1ccccc1)c1ccccc1 | 23435542 | ||
| CHEMBL1187833 | 3908 | 3 | None | -5 | 5 | Human | 9.9 | pKi | = | 9.9 | Binding | Guide to Pharmacology | 428 | 8 | 1 | 2 | 5.1 | OC(C12CC[N+](CC1)(CC2)CCOCc1ccccc1)(c1ccccc1)c1ccccc1 | 23435542 | ||
| DB09076 | 3908 | 3 | None | -5 | 5 | Human | 9.9 | pKi | = | 9.9 | Binding | Guide to Pharmacology | 428 | 8 | 1 | 2 | 5.1 | OC(C12CC[N+](CC1)(CC2)CCOCc1ccccc1)(c1ccccc1)c1ccccc1 | 23435542 | ||
| 314 | 2673 | 0 | None | -1122018 | 5 | Human | 5.0 | pKi | > | 5 | Binding | Guide to Pharmacology | None | None | None | None | 10799315 | ||||
| 313 | 2672 | 0 | None | -407 | 6 | Human | 6.0 | pKi | > | 6 | Binding | Guide to Pharmacology | None | None | None | None | 7925952 | ||||
| 2865 | 4112 | 73 | None | -912 | 54 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
| 59 | 4112 | 73 | None | -912 | 54 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
| 60854 | 4112 | 73 | None | -912 | 54 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
| CHEMBL708 | 4112 | 73 | None | -912 | 54 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
| DB00246 | 4112 | 73 | None | -912 | 54 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
| 3012003 | 216119 | 0 | None | -2 | 12 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 311 | 5 | 0 | 3 | 3.8 | CN1CCC(C(C1)COC2=CC=C(C=C2)OC)C3=CC=CC=C3 | None | ||
| 46780481 | 107504 | 20 | None | -245 | 54 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | ||
| 9903970 | 107504 | 20 | None | -245 | 54 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | ||
| CHEMBL3187365 | 107504 | 20 | None | -245 | 54 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | ||
| CHEMBL3544974 | 107504 | 20 | None | -245 | 54 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | ||
| 5280805 | 85376 | 81 | None | 28 | 3 | Human | 8.1 | pKi | None | 8.1 | Binding | Drug Central | 610 | 6 | 10 | 16 | -1.7 | C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O | None | ||
| CHEMBL226335 | 85376 | 81 | None | 28 | 3 | Human | 8.1 | pKi | None | 8.1 | Binding | Drug Central | 610 | 6 | 10 | 16 | -1.7 | C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O | None | ||
| 11976 | 917 | 59 | None | -12 | 24 | Human | 8.1 | pKi | None | 8.1 | Binding | Drug Central | 315 | 3 | 0 | 2 | 5.2 | CN(C)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)Cl | None | ||
| 667467 | 917 | 59 | None | -12 | 24 | Human | 8.1 | pKi | None | 8.1 | Binding | Drug Central | 315 | 3 | 0 | 2 | 5.2 | CN(C)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)Cl | None | ||
| CHEMBL908 | 917 | 59 | None | -12 | 24 | Human | 8.1 | pKi | None | 8.1 | Binding | Drug Central | 315 | 3 | 0 | 2 | 5.2 | CN(C)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)Cl | None | ||
| DB01239 | 917 | 59 | None | -12 | 24 | Human | 8.1 | pKi | None | 8.1 | Binding | Drug Central | 315 | 3 | 0 | 2 | 5.2 | CN(C)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)Cl | None | ||
| 4066 | 204603 | 78 | None | -1 | 7 | Human | 8.1 | pKi | None | 8.1 | Binding | Drug Central | 322 | 2 | 0 | 3 | 4.6 | c1ccc2c(c1)Sc1ccccc1N2CC1CN2CCC1CC2 | None | ||
| CHEMBL73451 | 204603 | 78 | None | -1 | 7 | Human | 8.1 | pKi | None | 8.1 | Binding | Drug Central | 322 | 2 | 0 | 3 | 4.6 | c1ccc2c(c1)Sc1ccccc1N2CC1CN2CCC1CC2 | None | ||
| 290 | 2456 | 6 | None | -12 | 7 | Human | 4.9 | pKi | None | 4.9 | Binding | Guide to Pharmacology | 316 | 3 | 1 | 2 | -0.4 | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] | 7620715 | ||
| 4022 | 2456 | 6 | None | -12 | 7 | Human | 4.9 | pKi | None | 4.9 | Binding | Guide to Pharmacology | 316 | 3 | 1 | 2 | -0.4 | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] | 7620715 | ||
| 5926 | 2456 | 6 | None | -12 | 7 | Human | 4.9 | pKi | None | 4.9 | Binding | Guide to Pharmacology | 316 | 3 | 1 | 2 | -0.4 | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] | 7620715 | ||
| CHEMBL40554 | 2456 | 6 | None | -12 | 7 | Human | 4.9 | pKi | None | 4.9 | Binding | Guide to Pharmacology | 316 | 3 | 1 | 2 | -0.4 | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] | 7620715 | ||
| CHEMBL74300 | 2456 | 6 | None | -12 | 7 | Human | 4.9 | pKi | None | 4.9 | Binding | Guide to Pharmacology | 316 | 3 | 1 | 2 | -0.4 | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] | 7620715 | ||
| 22991950 | 2314 | 0 | None | -6 | 6 | Human | 5.2 | pKi | None | 5.2 | Binding | Guide to Pharmacology | 448 | 7 | 2 | 2 | 5.9 | OC(C[N+](C)(C)C)CCCC(C1CCC2C1(C)CCC1C2CCC2C1(C)CCC(C2)O)C | 12235229 | ||
| 326 | 2314 | 0 | None | -6 | 6 | Human | 5.2 | pKi | None | 5.2 | Binding | Guide to Pharmacology | 448 | 7 | 2 | 2 | 5.9 | OC(C[N+](C)(C)C)CCCC(C1CCC2C1(C)CCC1C2CCC2C1(C)CCC(C2)O)C | 12235229 | ||
| 301 | 2517 | 19 | None | -3 | 5 | Human | 5.4 | pKi | None | 5.4 | Binding | Guide to Pharmacology | 154 | 2 | 0 | 3 | 0.9 | CO/N=C/C1=CCCN(C1)C | 10323594 | ||
| 9571002 | 2517 | 19 | None | -3 | 5 | Human | 5.4 | pKi | None | 5.4 | Binding | Guide to Pharmacology | 154 | 2 | 0 | 3 | 0.9 | CO/N=C/C1=CCCN(C1)C | 10323594 | ||
| CHEMBL151938 | 2517 | 19 | None | -3 | 5 | Human | 5.4 | pKi | None | 5.4 | Binding | Guide to Pharmacology | 154 | 2 | 0 | 3 | 0.9 | CO/N=C/C1=CCCN(C1)C | 10323594 | ||
| 107867 | 2953 | 55 | None | -25 | 11 | Rat | 5.7 | pKi | None | 5.7 | Binding | Guide to Pharmacology | 421 | 6 | 1 | 5 | 3.5 | CCN(CC1CCCCN1CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | 1325587 | ||
| 309 | 2953 | 55 | None | -25 | 11 | Rat | 5.7 | pKi | None | 5.7 | Binding | Guide to Pharmacology | 421 | 6 | 1 | 5 | 3.5 | CCN(CC1CCCCN1CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | 1325587 | ||
| CHEMBL17045 | 2953 | 55 | None | -25 | 11 | Rat | 5.7 | pKi | None | 5.7 | Binding | Guide to Pharmacology | 421 | 6 | 1 | 5 | 3.5 | CCN(CC1CCCCN1CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | 1325587 | ||
| 308 | 2047 | 23 | None | -22 | 9 | Human | 6.3 | pKi | None | 6.3 | Binding | Guide to Pharmacology | 349 | 6 | 1 | 2 | 4.2 | Fc1ccc(cc1)[Si](C1CCCCC1)(CCCN1CCCCC1)O | 8759038 | ||
| 3603 | 2047 | 23 | None | -22 | 9 | Human | 6.3 | pKi | None | 6.3 | Binding | Guide to Pharmacology | 349 | 6 | 1 | 2 | 4.2 | Fc1ccc(cc1)[Si](C1CCCCC1)(CCCN1CCCCC1)O | 8759038 | ||
| CHEMBL1256682 | 2047 | 23 | None | -22 | 9 | Human | 6.3 | pKi | None | 6.3 | Binding | Guide to Pharmacology | 349 | 6 | 1 | 2 | 4.2 | Fc1ccc(cc1)[Si](C1CCCCC1)(CCCN1CCCCC1)O | 8759038 | ||
| 310 | 1909 | 0 | None | -19 | 11 | Human | 7.0 | pKi | None | 7 | Binding | Guide to Pharmacology | 331 | 6 | 1 | 2 | 4.0 | O[Si](c1ccccc1)(C1CCCCC1)CCCN1CCCCC1 | 2704370 | ||
| 310 | 1909 | 0 | None | -19 | 11 | Human | 7.0 | pKi | None | 7 | Binding | Guide to Pharmacology | 331 | 6 | 1 | 2 | 4.0 | O[Si](c1ccccc1)(C1CCCCC1)CCCN1CCCCC1 | 8759038 | ||
| 3602 | 1909 | 0 | None | -19 | 11 | Human | 7.0 | pKi | None | 7 | Binding | Guide to Pharmacology | 331 | 6 | 1 | 2 | 4.0 | O[Si](c1ccccc1)(C1CCCCC1)CCCN1CCCCC1 | 2704370 | ||
| 3602 | 1909 | 0 | None | -19 | 11 | Human | 7.0 | pKi | None | 7 | Binding | Guide to Pharmacology | 331 | 6 | 1 | 2 | 4.0 | O[Si](c1ccccc1)(C1CCCCC1)CCCN1CCCCC1 | 8759038 | ||
| CHEMBL3545990 | 1909 | 0 | None | -19 | 11 | Human | 7.0 | pKi | None | 7 | Binding | Guide to Pharmacology | 331 | 6 | 1 | 2 | 4.0 | O[Si](c1ccccc1)(C1CCCCC1)CCCN1CCCCC1 | 2704370 | ||
| CHEMBL3545990 | 1909 | 0 | None | -19 | 11 | Human | 7.0 | pKi | None | 7 | Binding | Guide to Pharmacology | 331 | 6 | 1 | 2 | 4.0 | O[Si](c1ccccc1)(C1CCCCC1)CCCN1CCCCC1 | 8759038 | ||
| 124226 | 1908 | 0 | None | -7 | 5 | Human | 7.1 | pKi | None | 7.1 | Binding | Guide to Pharmacology | 315 | 6 | 1 | 2 | 4.7 | OC(c1ccccc1)(C1CCCCC1)CCCN1CCCCC1 | 2704370 | ||
| 322 | 1908 | 0 | None | -7 | 5 | Human | 7.1 | pKi | None | 7.1 | Binding | Guide to Pharmacology | 315 | 6 | 1 | 2 | 4.7 | OC(c1ccccc1)(C1CCCCC1)CCCN1CCCCC1 | 2704370 | ||
| 2200 | 3109 | 46 | None | -7 | 13 | Rat | 7.1 | pKi | None | 7.1 | Binding | Guide to Pharmacology | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 1325587 | ||
| 328 | 3109 | 46 | None | -7 | 13 | Rat | 7.1 | pKi | None | 7.1 | Binding | Guide to Pharmacology | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 1325587 | ||
| 4848 | 3109 | 46 | None | -7 | 13 | Rat | 7.1 | pKi | None | 7.1 | Binding | Guide to Pharmacology | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 1325587 | ||
| CHEMBL9967 | 3109 | 46 | None | -7 | 13 | Rat | 7.1 | pKi | None | 7.1 | Binding | Guide to Pharmacology | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 1325587 | ||
| DB00670 | 3109 | 46 | None | -7 | 13 | Rat | 7.1 | pKi | None | 7.1 | Binding | Guide to Pharmacology | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 1325587 | ||
| 306 | 3430 | 21 | None | 2 | 5 | Human | 7.1 | pKi | None | 7.1 | Binding | Guide to Pharmacology | 193 | 2 | 0 | 4 | 0.9 | CO/N=C(/[C@H]1CN2CCC1CC2)\C#N | 10323594 | ||
| 3536 | 3430 | 21 | None | 2 | 5 | Human | 7.1 | pKi | None | 7.1 | Binding | Guide to Pharmacology | 193 | 2 | 0 | 4 | 0.9 | CO/N=C(/[C@H]1CN2CCC1CC2)\C#N | 10323594 | ||
| 53930639 | 3430 | 21 | None | 2 | 5 | Human | 7.1 | pKi | None | 7.1 | Binding | Guide to Pharmacology | 193 | 2 | 0 | 4 | 0.9 | CO/N=C(/[C@H]1CN2CCC1CC2)\C#N | 10323594 | ||
| 9577995 | 3430 | 21 | None | 2 | 5 | Human | 7.1 | pKi | None | 7.1 | Binding | Guide to Pharmacology | 193 | 2 | 0 | 4 | 0.9 | CO/N=C(/[C@H]1CN2CCC1CC2)\C#N | 10323594 | ||
| CHEMBL134641 | 3430 | 21 | None | 2 | 5 | Human | 7.1 | pKi | None | 7.1 | Binding | Guide to Pharmacology | 193 | 2 | 0 | 4 | 0.9 | CO/N=C(/[C@H]1CN2CCC1CC2)\C#N | 10323594 | ||
| 310 | 1909 | 0 | None | -10 | 11 | Rat | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | 331 | 6 | 1 | 2 | 4.0 | O[Si](c1ccccc1)(C1CCCCC1)CCCN1CCCCC1 | 1325587 | ||
| 3602 | 1909 | 0 | None | -10 | 11 | Rat | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | 331 | 6 | 1 | 2 | 4.0 | O[Si](c1ccccc1)(C1CCCCC1)CCCN1CCCCC1 | 1325587 | ||
| CHEMBL3545990 | 1909 | 0 | None | -10 | 11 | Rat | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | 331 | 6 | 1 | 2 | 4.0 | O[Si](c1ccccc1)(C1CCCCC1)CCCN1CCCCC1 | 1325587 | ||
| 10426487 | 2821 | 7 | None | 2 | 5 | Human | 7.8 | pKi | None | 7.8 | Binding | Guide to Pharmacology | 325 | 3 | 0 | 5 | 2.8 | C1CN2CCC1C(C2)c1nsnc1OCC#Cc1ccccc1 | 11504829 | ||
| 291 | 2821 | 7 | None | 2 | 5 | Human | 7.8 | pKi | None | 7.8 | Binding | Guide to Pharmacology | 325 | 3 | 0 | 5 | 2.8 | C1CN2CCC1C(C2)c1nsnc1OCC#Cc1ccccc1 | 11504829 | ||
| CHEMBL99521 | 2821 | 7 | None | 2 | 5 | Human | 7.8 | pKi | None | 7.8 | Binding | Guide to Pharmacology | 325 | 3 | 0 | 5 | 2.8 | C1CN2CCC1C(C2)c1nsnc1OCC#Cc1ccccc1 | 11504829 | ||
| 293 | 2823 | 0 | None | -2 | 5 | Human | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | 572 | 6 | 0 | 10 | 3.9 | C1CN2CCC1C(C2)c1nsnc1OCC#Cc1cccc(c1)C#CCOc1nsnc1C1CN2CCC1CC2 | 11504829 | ||
| 9985526 | 2823 | 0 | None | -2 | 5 | Human | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | 572 | 6 | 0 | 10 | 3.9 | C1CN2CCC1C(C2)c1nsnc1OCC#Cc1cccc(c1)C#CCOc1nsnc1C1CN2CCC1CC2 | 11504829 | ||
| 11757797 | 2822 | 0 | None | -63 | 5 | Human | 8.3 | pKi | None | 8.3 | Binding | Guide to Pharmacology | 572 | 6 | 0 | 10 | 3.9 | C1CN2CCC1C(C2)c1nsnc1OCC#Cc1ccc(cc1)C#CCOc1nsnc1C1CN2CCC1CC2 | 11504829 | ||
| 292 | 2822 | 0 | None | -63 | 5 | Human | 8.3 | pKi | None | 8.3 | Binding | Guide to Pharmacology | 572 | 6 | 0 | 10 | 3.9 | C1CN2CCC1C(C2)c1nsnc1OCC#Cc1ccc(cc1)C#CCOc1nsnc1C1CN2CCC1CC2 | 11504829 | ||
| 1371 | 1910 | 11 | None | -1 | 5 | Human | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | 317 | 4 | 1 | 2 | 2.8 | C[N+]1(C)CCN(CC1)CC(c1ccccc1)(C1CCCCC1)O | 2704370 | ||
| 24199 | 1910 | 11 | None | -1 | 5 | Human | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | 317 | 4 | 1 | 2 | 2.8 | C[N+]1(C)CCN(CC1)CC(c1ccccc1)(C1CCCCC1)O | 2704370 | ||
| 323 | 1910 | 11 | None | -1 | 5 | Human | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | 317 | 4 | 1 | 2 | 2.8 | C[N+]1(C)CCN(CC1)CC(c1ccccc1)(C1CCCCC1)O | 2704370 | ||
| CHEMBL1201325 | 1910 | 11 | None | -1 | 5 | Human | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | 317 | 4 | 1 | 2 | 2.8 | C[N+]1(C)CCN(CC1)CC(c1ccccc1)(C1CCCCC1)O | 2704370 | ||
| DB06787 | 1910 | 11 | None | -1 | 5 | Human | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | 317 | 4 | 1 | 2 | 2.8 | C[N+]1(C)CCN(CC1)CC(c1ccccc1)(C1CCCCC1)O | 2704370 | ||
| 130169 | 3578 | 0 | None | -1 | 5 | Human | 8.7 | pKi | None | 8.7 | Binding | Guide to Pharmacology | 333 | 4 | 1 | 2 | 2.1 | C[N+]1(C)CCN(CC1)C[Si](c1ccccc1)(C1CCCCC1)O | 2704370 | ||
| 331 | 3578 | 0 | None | -1 | 5 | Human | 8.7 | pKi | None | 8.7 | Binding | Guide to Pharmacology | 333 | 4 | 1 | 2 | 2.1 | C[N+]1(C)CCN(CC1)C[Si](c1ccccc1)(C1CCCCC1)O | 2704370 | ||
| 1734 | 116 | 10 | None | -2 | 13 | Rat | 8.9 | pKi | None | 8.9 | Binding | Guide to Pharmacology | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | 1325587 | ||
| 307 | 116 | 10 | None | -2 | 13 | Rat | 8.9 | pKi | None | 8.9 | Binding | Guide to Pharmacology | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | 1325587 | ||
| CHEMBL168067 | 116 | 10 | None | -2 | 13 | Rat | 8.9 | pKi | None | 8.9 | Binding | Guide to Pharmacology | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | 1325587 | ||
| 174174 | 521 | 49 | None | -1 | 14 | Rat | 9.4 | pKi | None | 9.4 | Binding | Guide to Pharmacology | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 1325587 | ||
| 260 | 521 | 49 | None | -1 | 14 | Rat | 9.4 | pKi | None | 9.4 | Binding | Guide to Pharmacology | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 1325587 | ||
| 320 | 521 | 49 | None | -1 | 14 | Rat | 9.4 | pKi | None | 9.4 | Binding | Guide to Pharmacology | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 1325587 | ||
| CHEMBL517712 | 521 | 49 | None | -1 | 14 | Rat | 9.4 | pKi | None | 9.4 | Binding | Guide to Pharmacology | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 1325587 | ||
| DB00572 | 521 | 49 | None | -1 | 14 | Rat | 9.4 | pKi | None | 9.4 | Binding | Guide to Pharmacology | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 1325587 | ||