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 |
| 10952349 | 35103 | 0 | None | 3467 | 2 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 564 | 15 | 0 | 10 | 6.8 | CN1CCC=C(c2nsnc2SCCCCCCCCCCSc2nsnc2C2=CCCN(C)C2)C1 | 10.1021/jm0102405 | ||
| CHEMBL143434 | 35103 | 0 | None | 3467 | 2 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 564 | 15 | 0 | 10 | 6.8 | CN1CCC=C(c2nsnc2SCCCCCCCCCCSc2nsnc2C2=CCCN(C)C2)C1 | 10.1021/jm0102405 | ||
| 11072401 | 30747 | 0 | None | 12882 | 2 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 592 | 17 | 0 | 10 | 7.6 | CN1CCC=C(c2nsnc2SCCCCCCCCCCCCSc2nsnc2C2=CCCN(C)C2)C1 | 10.1021/jm0102405 | ||
| CHEMBL139603 | 30747 | 0 | None | 12882 | 2 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 592 | 17 | 0 | 10 | 7.6 | CN1CCC=C(c2nsnc2SCCCCCCCCCCCCSc2nsnc2C2=CCCN(C)C2)C1 | 10.1021/jm0102405 | ||
| 9937709 | 34067 | 0 | None | 239 | 2 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 560 | 17 | 0 | 10 | 6.2 | CN1CCC=C(c2nsnc2OCCCCCCCCCCCCOc2nsnc2C2=CCCN(C)C2)C1 | 10.1021/jm0102405 | ||
| CHEMBL142538 | 34067 | 0 | None | 239 | 2 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 560 | 17 | 0 | 10 | 6.2 | CN1CCC=C(c2nsnc2OCCCCCCCCCCCCOc2nsnc2C2=CCCN(C)C2)C1 | 10.1021/jm0102405 | ||
| 187 | 255 | 39 | None | 1 | 8 | Human | 8.0 | pEC50 | = | 8 | 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 | 8.0 | pEC50 | = | 8 | 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 | 8.0 | pEC50 | = | 8 | 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 | 8.0 | pEC50 | = | 8 | 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 | 8.0 | pEC50 | = | 8 | 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 | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/jm100697g | ||
| 187 | 255 | 39 | None | 1 | 8 | Human | 8.0 | pEC50 | = | 8 | 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 | 8.0 | pEC50 | = | 8 | 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 | 8.0 | pEC50 | = | 8 | 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 | 8.0 | pEC50 | = | 8 | 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 | 8.0 | pEC50 | = | 8 | 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 | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1016/j.bmcl.2012.05.048 | ||
| 162665337 | 182252 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 358 | 2 | 2 | 5 | 3.1 | Cc1c(Cl)nnc2sc(C(=O)NC3Cc4ccccc4C3)c(N)c12 | 10.1016/j.bmcl.2019.05.026 | ||
| CHEMBL4783881 | 182252 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 358 | 2 | 2 | 5 | 3.1 | Cc1c(Cl)nnc2sc(C(=O)NC3Cc4ccccc4C3)c(N)c12 | 10.1016/j.bmcl.2019.05.026 | ||
| 162675795 | 183392 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 438 | 4 | 2 | 8 | 2.9 | COc1cc(N2CC(NC(=O)c3sc4nnc(Cl)c(C)c4c3N)C2)c(Cl)cn1 | 10.1016/j.bmcl.2019.05.026 | ||
| CHEMBL4798497 | 183392 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 438 | 4 | 2 | 8 | 2.9 | COc1cc(N2CC(NC(=O)c3sc4nnc(Cl)c(C)c4c3N)C2)c(Cl)cn1 | 10.1016/j.bmcl.2019.05.026 | ||
| 137643460 | 158243 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 390 | 3 | 2 | 7 | 2.2 | Cc1nnc2sc(C(=O)NC3CN(c4cc(F)nc(F)c4)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.05.014 | ||
| CHEMBL4088704 | 158243 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 390 | 3 | 2 | 7 | 2.2 | Cc1nnc2sc(C(=O)NC3CN(c4cc(F)nc(F)c4)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.05.014 | ||
| 42598358 | 16070 | 0 | None | -100 | 5 | Human | 7.0 | pEC50 | = | 7 | 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 | -100 | 5 | Human | 7.0 | pEC50 | = | 7 | 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 | ||
| 137656230 | 159022 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 390 | 4 | 2 | 7 | 3.3 | Cc1nnc2sc(C(=O)NCc3ccc(-c4cnccn4)cc3)c(N)c2c1C | 10.1016/j.bmcl.2017.04.043 | ||
| CHEMBL4096878 | 159022 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 390 | 4 | 2 | 7 | 3.3 | Cc1nnc2sc(C(=O)NCc3ccc(-c4cnccn4)cc3)c(N)c2c1C | 10.1016/j.bmcl.2017.04.043 | ||
| 162651352 | 180285 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 437 | 3 | 2 | 8 | 2.9 | Cc1nc(Cl)c(C)c(N2CC(NC(=O)c3sc4nnc(Cl)c(C)c4c3N)C2)n1 | 10.1016/j.bmcl.2019.05.026 | ||
| CHEMBL4751034 | 180285 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 437 | 3 | 2 | 8 | 2.9 | Cc1nc(Cl)c(C)c(N2CC(NC(=O)c3sc4nnc(Cl)c(C)c4c3N)C2)n1 | 10.1016/j.bmcl.2019.05.026 | ||
| 89445242 | 174634 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 308 | 3 | 2 | 4 | 4.4 | Cc1cc(C)c2c(n1)sc1c(NCc3ccccc3)n[nH]c12 | 10.1016/j.bmcl.2018.12.039 | ||
| CHEMBL4558571 | 174634 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 308 | 3 | 2 | 4 | 4.4 | Cc1cc(C)c2c(n1)sc1c(NCc3ccccc3)n[nH]c12 | 10.1016/j.bmcl.2018.12.039 | ||
| 155518224 | 170247 | 0 | None | - | 1 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 366 | 4 | 0 | 5 | 3.7 | COc1cccnc1C1CCN(C2CCCN(c3cccnc3)CC2)CC1 | 10.1021/acsmedchemlett.9b00106 | ||
| CHEMBL4446144 | 170247 | 0 | None | - | 1 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 366 | 4 | 0 | 5 | 3.7 | COc1cccnc1C1CCN(C2CCCN(c3cccnc3)CC2)CC1 | 10.1021/acsmedchemlett.9b00106 | ||
| 155510640 | 174010 | 0 | None | 1 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 283 | 2 | 1 | 5 | 3.1 | Cc1nnc2sc(C(=O)c3ccccc3)c(N)c2c1C | 10.1016/j.bmcl.2016.07.042 | ||
| CHEMBL4543522 | 174010 | 0 | None | 1 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 283 | 2 | 1 | 5 | 3.1 | Cc1nnc2sc(C(=O)c3ccccc3)c(N)c2c1C | 10.1016/j.bmcl.2016.07.042 | ||
| 155510640 | 174010 | 0 | None | 1 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 283 | 2 | 1 | 5 | 3.1 | Cc1nnc2sc(C(=O)c3ccccc3)c(N)c2c1C | 10.1016/j.bmcl.2016.07.042 | ||
| CHEMBL4543522 | 174010 | 0 | None | 1 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 283 | 2 | 1 | 5 | 3.1 | Cc1nnc2sc(C(=O)c3ccccc3)c(N)c2c1C | 10.1016/j.bmcl.2016.07.042 | ||
| 137641943 | 158454 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 354 | 3 | 2 | 7 | 1.9 | Cc1nnc2sc(C(=O)NC3CN(c4ccccn4)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.05.014 | ||
| CHEMBL4090871 | 158454 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 354 | 3 | 2 | 7 | 1.9 | Cc1nnc2sc(C(=O)NC3CN(c4ccccn4)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.05.014 | ||
| 89777104 | 159099 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 389 | 4 | 2 | 6 | 3.9 | Cc1nnc2sc(C(=O)NCc3ccc(-c4cccnc4)cc3)c(N)c2c1C | 10.1016/j.bmcl.2017.04.043 | ||
| CHEMBL4097819 | 159099 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 389 | 4 | 2 | 6 | 3.9 | Cc1nnc2sc(C(=O)NCc3ccc(-c4cccnc4)cc3)c(N)c2c1C | 10.1016/j.bmcl.2017.04.043 | ||
| 53382504 | 86302 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 359 | 3 | 2 | 4 | 4.4 | Cc1ccc(CNC(=O)c2sc3nc(C)c(Cl)c(C)c3c2N)cc1 | 10.1016/j.bmcl.2012.10.073 | ||
| CHEMBL2313395 | 86302 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 359 | 3 | 2 | 4 | 4.4 | Cc1ccc(CNC(=O)c2sc3nc(C)c(Cl)c(C)c3c2N)cc1 | 10.1016/j.bmcl.2012.10.073 | ||
| 155539719 | 172849 | 0 | None | 3 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 284 | 2 | 1 | 6 | 2.5 | Cc1nnc2sc(C(=O)c3cccnc3)c(N)c2c1C | 10.1016/j.bmcl.2016.07.042 | ||
| CHEMBL4515326 | 172849 | 0 | None | 3 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 284 | 2 | 1 | 6 | 2.5 | Cc1nnc2sc(C(=O)c3cccnc3)c(N)c2c1C | 10.1016/j.bmcl.2016.07.042 | ||
| 155564640 | 175491 | 0 | None | 3 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 317 | 2 | 1 | 5 | 3.8 | Cc1nc2sc(C(=O)c3cccnc3)c(N)c2c(C)c1Cl | 10.1016/j.bmcl.2016.07.042 | ||
| CHEMBL4577985 | 175491 | 0 | None | 3 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 317 | 2 | 1 | 5 | 3.8 | Cc1nc2sc(C(=O)c3cccnc3)c(N)c2c(C)c1Cl | 10.1016/j.bmcl.2016.07.042 | ||
| 53382504 | 86302 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 359 | 3 | 2 | 4 | 4.4 | Cc1ccc(CNC(=O)c2sc3nc(C)c(Cl)c(C)c3c2N)cc1 | 10.1016/j.bmcl.2012.10.073 | ||
| CHEMBL2313395 | 86302 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 359 | 3 | 2 | 4 | 4.4 | Cc1ccc(CNC(=O)c2sc3nc(C)c(Cl)c(C)c3c2N)cc1 | 10.1016/j.bmcl.2012.10.073 | ||
| 89768734 | 164685 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 354 | 2 | 2 | 6 | 2.2 | Cc1nnc2sc(C(=O)N3CC(O)(c4ccccc4)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.10.053 | ||
| CHEMBL4217300 | 164685 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 354 | 2 | 2 | 6 | 2.2 | Cc1nnc2sc(C(=O)N3CC(O)(c4ccccc4)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.10.053 | ||
| 137645408 | 157885 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 436 | 5 | 1 | 5 | 3.9 | COc1ccc(CNC(=O)C2CCN(c3c(C#N)cnc4ccc(F)cc34)CC2)cc1F | 10.1016/j.bmcl.2017.08.043 | ||
| CHEMBL4084306 | 157885 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 436 | 5 | 1 | 5 | 3.9 | COc1ccc(CNC(=O)C2CCN(c3c(C#N)cnc4ccc(F)cc34)CC2)cc1F | 10.1016/j.bmcl.2017.08.043 | ||
| 89768734 | 164685 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 354 | 2 | 2 | 6 | 2.2 | Cc1nnc2sc(C(=O)N3CC(O)(c4ccccc4)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.10.053 | ||
| CHEMBL4217300 | 164685 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 354 | 2 | 2 | 6 | 2.2 | Cc1nnc2sc(C(=O)N3CC(O)(c4ccccc4)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.10.053 | ||
| 127043639 | 140483 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 337 | 3 | 0 | 6 | 3.1 | Cc1ccc(OC2CCN(c3nc(C)nn4ccc(C)c34)CC2)cn1 | 10.1016/j.bmcl.2016.05.010 | ||
| CHEMBL3810071 | 140483 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 337 | 3 | 0 | 6 | 3.1 | Cc1ccc(OC2CCN(c3nc(C)nn4ccc(C)c34)CC2)cn1 | 10.1016/j.bmcl.2016.05.010 | ||
| 155539719 | 172849 | 0 | None | 3 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 284 | 2 | 1 | 6 | 2.5 | Cc1nnc2sc(C(=O)c3cccnc3)c(N)c2c1C | 10.1016/j.bmcl.2016.07.042 | ||
| CHEMBL4515326 | 172849 | 0 | None | 3 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 284 | 2 | 1 | 6 | 2.5 | Cc1nnc2sc(C(=O)c3cccnc3)c(N)c2c1C | 10.1016/j.bmcl.2016.07.042 | ||
| 155564640 | 175491 | 0 | None | 3 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 317 | 2 | 1 | 5 | 3.8 | Cc1nc2sc(C(=O)c3cccnc3)c(N)c2c(C)c1Cl | 10.1016/j.bmcl.2016.07.042 | ||
| CHEMBL4577985 | 175491 | 0 | None | 3 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 317 | 2 | 1 | 5 | 3.8 | Cc1nc2sc(C(=O)c3cccnc3)c(N)c2c(C)c1Cl | 10.1016/j.bmcl.2016.07.042 | ||
| 137635723 | 156059 | 0 | None | 2 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 411 | 3 | 2 | 9 | 2.5 | Cc1nnc2sc(C(=O)NC3CN(c4nc5cccnc5s4)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.05.014 | ||
| CHEMBL4062934 | 156059 | 0 | None | 2 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 411 | 3 | 2 | 9 | 2.5 | Cc1nnc2sc(C(=O)NC3CN(c4nc5cccnc5s4)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.05.014 | ||
| 5441 | 2410 | 10 | None | -46 | 3 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 507 | 6 | 2 | 3 | 6.1 | O[C@@H]1Cc2c([C@H]1NC(=O)c1ccc(cc1)c1ccccc1)cc(cc2)N=C(N(Cc1ccc(cc1)F)C)C | 10.1016/j.bmcl.2015.08.011 | ||
| 9893054 | 2410 | 10 | None | -46 | 3 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 507 | 6 | 2 | 3 | 6.1 | O[C@@H]1Cc2c([C@H]1NC(=O)c1ccc(cc1)c1ccccc1)cc(cc2)N=C(N(Cc1ccc(cc1)F)C)C | 10.1016/j.bmcl.2015.08.011 | ||
| CHEMBL3616501 | 2410 | 10 | None | -46 | 3 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 507 | 6 | 2 | 3 | 6.1 | O[C@@H]1Cc2c([C@H]1NC(=O)c1ccc(cc1)c1ccccc1)cc(cc2)N=C(N(Cc1ccc(cc1)F)C)C | 10.1016/j.bmcl.2015.08.011 | ||
| 135126271 | 164161 | 0 | None | - | 1 | Rat | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 412 | 5 | 1 | 5 | 3.8 | Cc1cc(N2CC(NC(=O)c3ccc4nc(C)cc(C)c4c3)C2)cc(OC(F)F)n1 | 10.1016/j.bmcl.2017.10.016 | ||
| CHEMBL4210668 | 164161 | 0 | None | - | 1 | Rat | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 412 | 5 | 1 | 5 | 3.8 | Cc1cc(N2CC(NC(=O)c3ccc4nc(C)cc(C)c4c3)C2)cc(OC(F)F)n1 | 10.1016/j.bmcl.2017.10.016 | ||
| 53382512 | 86282 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 375 | 4 | 2 | 5 | 4.1 | COc1ccc(CNC(=O)c2sc3nc(C)c(Cl)c(C)c3c2N)cc1 | 10.1016/j.bmcl.2012.10.073 | ||
| CHEMBL2313375 | 86282 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 375 | 4 | 2 | 5 | 4.1 | COc1ccc(CNC(=O)c2sc3nc(C)c(Cl)c(C)c3c2N)cc1 | 10.1016/j.bmcl.2012.10.073 | ||
| 53382512 | 86282 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 375 | 4 | 2 | 5 | 4.1 | COc1ccc(CNC(=O)c2sc3nc(C)c(Cl)c(C)c3c2N)cc1 | 10.1016/j.bmcl.2012.10.073 | ||
| CHEMBL2313375 | 86282 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 375 | 4 | 2 | 5 | 4.1 | COc1ccc(CNC(=O)c2sc3nc(C)c(Cl)c(C)c3c2N)cc1 | 10.1016/j.bmcl.2012.10.073 | ||
| 53382528 | 86299 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 345 | 3 | 2 | 4 | 4.1 | Cc1nc2sc(C(=O)NCc3ccccc3)c(N)c2c(C)c1Cl | 10.1016/j.bmcl.2012.10.073 | ||
| CHEMBL2313392 | 86299 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 345 | 3 | 2 | 4 | 4.1 | Cc1nc2sc(C(=O)NCc3ccccc3)c(N)c2c(C)c1Cl | 10.1016/j.bmcl.2012.10.073 | ||
| 145977993 | 163544 | 0 | None | - | 1 | Rat | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 373 | 4 | 1 | 5 | 3.1 | Cc1cc(C)c2cc(C(=O)NC3CN(c4cnc(C5CC5)cn4)C3)ccc2n1 | 10.1016/j.bmcl.2017.10.016 | ||
| CHEMBL4203172 | 163544 | 0 | None | - | 1 | Rat | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 373 | 4 | 1 | 5 | 3.1 | Cc1cc(C)c2cc(C(=O)NC3CN(c4cnc(C5CC5)cn4)C3)ccc2n1 | 10.1016/j.bmcl.2017.10.016 | ||
| 145977993 | 163544 | 0 | None | - | 1 | Rat | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 373 | 4 | 1 | 5 | 3.1 | Cc1cc(C)c2cc(C(=O)NC3CN(c4cnc(C5CC5)cn4)C3)ccc2n1 | 10.1016/j.bmcl.2017.10.016 | ||
| CHEMBL4203172 | 163544 | 0 | None | - | 1 | Rat | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 373 | 4 | 1 | 5 | 3.1 | Cc1cc(C)c2cc(C(=O)NC3CN(c4cnc(C5CC5)cn4)C3)ccc2n1 | 10.1016/j.bmcl.2017.10.016 | ||
| 135126271 | 164161 | 0 | None | - | 1 | Rat | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 412 | 5 | 1 | 5 | 3.8 | Cc1cc(N2CC(NC(=O)c3ccc4nc(C)cc(C)c4c3)C2)cc(OC(F)F)n1 | 10.1016/j.bmcl.2017.10.016 | ||
| CHEMBL4210668 | 164161 | 0 | None | - | 1 | Rat | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 412 | 5 | 1 | 5 | 3.8 | Cc1cc(N2CC(NC(=O)c3ccc4nc(C)cc(C)c4c3)C2)cc(OC(F)F)n1 | 10.1016/j.bmcl.2017.10.016 | ||
| 145966725 | 164310 | 0 | None | - | 1 | Rat | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 400 | 3 | 1 | 4 | 3.9 | Cc1cc(C)c2cc(C(=O)NC3CN(c4ccc(C(F)(F)F)cn4)C3)ccc2n1 | 10.1016/j.bmcl.2017.10.016 | ||
| CHEMBL4212499 | 164310 | 0 | None | - | 1 | Rat | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 400 | 3 | 1 | 4 | 3.9 | Cc1cc(C)c2cc(C(=O)NC3CN(c4ccc(C(F)(F)F)cn4)C3)ccc2n1 | 10.1016/j.bmcl.2017.10.016 | ||
| 53382528 | 86299 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 345 | 3 | 2 | 4 | 4.1 | Cc1nc2sc(C(=O)NCc3ccccc3)c(N)c2c(C)c1Cl | 10.1016/j.bmcl.2012.10.073 | ||
| CHEMBL2313392 | 86299 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 345 | 3 | 2 | 4 | 4.1 | Cc1nc2sc(C(=O)NCc3ccccc3)c(N)c2c(C)c1Cl | 10.1016/j.bmcl.2012.10.073 | ||
| 145966725 | 164310 | 0 | None | - | 1 | Rat | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 400 | 3 | 1 | 4 | 3.9 | Cc1cc(C)c2cc(C(=O)NC3CN(c4ccc(C(F)(F)F)cn4)C3)ccc2n1 | 10.1016/j.bmcl.2017.10.016 | ||
| CHEMBL4212499 | 164310 | 0 | None | - | 1 | Rat | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 400 | 3 | 1 | 4 | 3.9 | Cc1cc(C)c2cc(C(=O)NC3CN(c4ccc(C(F)(F)F)cn4)C3)ccc2n1 | 10.1016/j.bmcl.2017.10.016 | ||
| 137645408 | 157885 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 436 | 5 | 1 | 5 | 3.9 | COc1ccc(CNC(=O)C2CCN(c3c(C#N)cnc4ccc(F)cc34)CC2)cc1F | 10.1016/j.bmcl.2017.08.043 | ||
| CHEMBL4084306 | 157885 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 436 | 5 | 1 | 5 | 3.9 | COc1ccc(CNC(=O)C2CCN(c3c(C#N)cnc4ccc(F)cc34)CC2)cc1F | 10.1016/j.bmcl.2017.08.043 | ||
| 145970522 | 164780 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 352 | 2 | 1 | 5 | 3.4 | Cc1ccc(C2CN(C(=O)c3sc4nnc(C)c(C)c4c3N)C2)cc1 | 10.1016/j.bmcl.2017.10.053 | ||
| CHEMBL4218472 | 164780 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 352 | 2 | 1 | 5 | 3.4 | Cc1ccc(C2CN(C(=O)c3sc4nnc(C)c(C)c4c3N)C2)cc1 | 10.1016/j.bmcl.2017.10.053 | ||
| 145970522 | 164780 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 352 | 2 | 1 | 5 | 3.4 | Cc1ccc(C2CN(C(=O)c3sc4nnc(C)c(C)c4c3N)C2)cc1 | 10.1016/j.bmcl.2017.10.053 | ||
| CHEMBL4218472 | 164780 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 352 | 2 | 1 | 5 | 3.4 | Cc1ccc(C2CN(C(=O)c3sc4nnc(C)c(C)c4c3N)C2)cc1 | 10.1016/j.bmcl.2017.10.053 | ||
| 78319052 | 171317 | 0 | None | 229 | 2 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 361 | 4 | 0 | 5 | 3.3 | CCOC(=O)N1CCCC(N2CCC(c3ncccc3OC)CC2)CC1 | 10.1021/acsmedchemlett.9b00106 | ||
| CHEMBL4461438 | 171317 | 0 | None | 229 | 2 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 361 | 4 | 0 | 5 | 3.3 | CCOC(=O)N1CCCC(N2CCC(c3ncccc3OC)CC2)CC1 | 10.1021/acsmedchemlett.9b00106 | ||
| 137643460 | 158243 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 390 | 3 | 2 | 7 | 2.2 | Cc1nnc2sc(C(=O)NC3CN(c4cc(F)nc(F)c4)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.05.014 | ||
| CHEMBL4088704 | 158243 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 390 | 3 | 2 | 7 | 2.2 | Cc1nnc2sc(C(=O)NC3CN(c4cc(F)nc(F)c4)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.05.014 | ||
| 89777143 | 153818 | 0 | None | 5 | 2 | Rat | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 358 | 4 | 2 | 6 | 3.5 | CSc1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1 | 10.1016/j.bmcl.2016.11.086 | ||
| CHEMBL3982695 | 153818 | 0 | None | 5 | 2 | Rat | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 358 | 4 | 2 | 6 | 3.5 | CSc1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1 | 10.1016/j.bmcl.2016.11.086 | ||
| 89777143 | 153818 | 0 | None | 5 | 2 | Rat | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 358 | 4 | 2 | 6 | 3.5 | CSc1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1 | 10.1016/j.bmcl.2016.11.086 | ||
| CHEMBL3982695 | 153818 | 0 | None | 5 | 2 | Rat | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 358 | 4 | 2 | 6 | 3.5 | CSc1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1 | 10.1016/j.bmcl.2016.11.086 | ||
| 89777151 | 158549 | 0 | None | 7 | 2 | Rat | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 407 | 4 | 2 | 6 | 4.0 | Cc1nnc2sc(C(=O)NCc3ccc(-c4cccnc4F)cc3)c(N)c2c1C | 10.1016/j.bmcl.2017.04.043 | ||
| CHEMBL4091821 | 158549 | 0 | None | 7 | 2 | Rat | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 407 | 4 | 2 | 6 | 4.0 | Cc1nnc2sc(C(=O)NCc3ccc(-c4cccnc4F)cc3)c(N)c2c1C | 10.1016/j.bmcl.2017.04.043 | ||
| 134207697 | 174255 | 0 | None | 10 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 428 | 3 | 2 | 7 | 3.0 | Cc1nc2cc(C)c3c(N)c(C(=O)NC4CN(c5ccc(F)c(F)c5)C4)sc3n2n1 | 10.1016/j.bmcl.2019.06.032 | ||
| CHEMBL4549515 | 174255 | 0 | None | 10 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 428 | 3 | 2 | 7 | 3.0 | Cc1nc2cc(C)c3c(N)c(C(=O)NC4CN(c5ccc(F)c(F)c5)C4)sc3n2n1 | 10.1016/j.bmcl.2019.06.032 | ||
| 134207701 | 174616 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 287 | 2 | 2 | 6 | 1.7 | Cc1cc2nncn2c2sc(C(=O)NC3CC3)c(N)c12 | 10.1016/j.bmcl.2019.06.032 | ||
| CHEMBL4558111 | 174616 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 287 | 2 | 2 | 6 | 1.7 | Cc1cc2nncn2c2sc(C(=O)NC3CC3)c(N)c12 | 10.1016/j.bmcl.2019.06.032 | ||
| 9958728 | 35123 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 532 | 15 | 0 | 10 | 5.4 | CN1CCC=C(c2nsnc2OCCCCCCCCCCOc2nsnc2C2=CCCN(C)C2)C1 | 10.1021/jm0102405 | ||
| CHEMBL143468 | 35123 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 532 | 15 | 0 | 10 | 5.4 | CN1CCC=C(c2nsnc2OCCCCCCCCCCOc2nsnc2C2=CCCN(C)C2)C1 | 10.1021/jm0102405 | ||
| 155552432 | 174144 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 373 | 4 | 0 | 7 | 3.2 | COc1cccnc1C1CCN(C2CCCN(c3ncns3)CC2)CC1 | 10.1021/acsmedchemlett.9b00106 | ||
| CHEMBL4547008 | 174144 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 373 | 4 | 0 | 7 | 3.2 | COc1cccnc1C1CCN(C2CCCN(c3ncns3)CC2)CC1 | 10.1021/acsmedchemlett.9b00106 | ||
| 89445225 | 170911 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 326 | 3 | 2 | 4 | 4.5 | Cc1cc(C)c2c(n1)sc1c(NCc3ccc(F)cc3)n[nH]c12 | 10.1016/j.bmcl.2018.12.039 | ||
| CHEMBL4455343 | 170911 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 326 | 3 | 2 | 4 | 4.5 | Cc1cc(C)c2c(n1)sc1c(NCc3ccc(F)cc3)n[nH]c12 | 10.1016/j.bmcl.2018.12.039 | ||
| 29262717 | 140453 | 6 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 344 | 2 | 0 | 5 | 3.1 | Cc1sc2ncnc(N3CCC(C(=O)N4CCCC4)CC3)c2c1C | 10.1016/j.bmcl.2016.05.010 | ||
| CHEMBL3809603 | 140453 | 6 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 344 | 2 | 0 | 5 | 3.1 | Cc1sc2ncnc(N3CCC(C(=O)N4CCCC4)CC3)c2c1C | 10.1016/j.bmcl.2016.05.010 | ||
| 127043639 | 140483 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 337 | 3 | 0 | 6 | 3.1 | Cc1ccc(OC2CCN(c3nc(C)nn4ccc(C)c34)CC2)cn1 | 10.1016/j.bmcl.2016.05.010 | ||
| CHEMBL3810071 | 140483 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 337 | 3 | 0 | 6 | 3.1 | Cc1ccc(OC2CCN(c3nc(C)nn4ccc(C)c34)CC2)cn1 | 10.1016/j.bmcl.2016.05.010 | ||
| 122190994 | 123578 | 0 | None | -21 | 3 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 481 | 4 | 3 | 3 | 5.1 | C/C(=N\c1ccc2c(c1)[C@@H](NC(=O)c1ccc(Br)cc1)[C@H](O)C2)Nc1ccc(F)cc1 | 10.1016/j.bmcl.2015.08.011 | ||
| CHEMBL3618436 | 123578 | 0 | None | -21 | 3 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 481 | 4 | 3 | 3 | 5.1 | C/C(=N\c1ccc2c(c1)[C@@H](NC(=O)c1ccc(Br)cc1)[C@H](O)C2)Nc1ccc(F)cc1 | 10.1016/j.bmcl.2015.08.011 | ||
| CHEMBL5080134 | 214642 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | None | None | None | Cc1cc(C)c2c(n1)sc1c(NCc3ccc(CN4CCOCC4)cc3)ncnc12 | 10.1016/j.bmcl.2021.128416 | ||||
| 43989253 | 76029 | 2 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 300 | 3 | 1 | 6 | 2.7 | COc1ccc(C)c2sc(NC(=O)c3cnccn3)nc12 | 10.1016/j.bmcl.2012.05.109 | ||
| CHEMBL2057394 | 76029 | 2 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 300 | 3 | 1 | 6 | 2.7 | COc1ccc(C)c2sc(NC(=O)c3cnccn3)nc12 | 10.1016/j.bmcl.2012.05.109 | ||
| 135126568 | 164423 | 0 | None | - | 1 | Rat | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 398 | 5 | 1 | 5 | 3.5 | Cc1cc(C)c2cc(C(=O)NC3CN(c4ccnc(OC(F)F)c4)C3)ccc2n1 | 10.1016/j.bmcl.2017.10.016 | ||
| CHEMBL4213855 | 164423 | 0 | None | - | 1 | Rat | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 398 | 5 | 1 | 5 | 3.5 | Cc1cc(C)c2cc(C(=O)NC3CN(c4ccnc(OC(F)F)c4)C3)ccc2n1 | 10.1016/j.bmcl.2017.10.016 | ||
| 122189499 | 123311 | 0 | None | -4 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 441 | 3 | 2 | 3 | 4.0 | CN1CCCC/C1=N\c1ccc2c(c1)[C@@H](NC(=O)c1ccc(Br)cc1)[C@H](O)C2 | 10.1016/j.bmcl.2015.08.011 | ||
| CHEMBL3616504 | 123311 | 0 | None | -4 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 441 | 3 | 2 | 3 | 4.0 | CN1CCCC/C1=N\c1ccc2c(c1)[C@@H](NC(=O)c1ccc(Br)cc1)[C@H](O)C2 | 10.1016/j.bmcl.2015.08.011 | ||
| 135126568 | 164423 | 0 | None | - | 1 | Rat | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 398 | 5 | 1 | 5 | 3.5 | Cc1cc(C)c2cc(C(=O)NC3CN(c4ccnc(OC(F)F)c4)C3)ccc2n1 | 10.1016/j.bmcl.2017.10.016 | ||
| CHEMBL4213855 | 164423 | 0 | None | - | 1 | Rat | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 398 | 5 | 1 | 5 | 3.5 | Cc1cc(C)c2cc(C(=O)NC3CN(c4ccnc(OC(F)F)c4)C3)ccc2n1 | 10.1016/j.bmcl.2017.10.016 | ||
| CHEMBL5087350 | 215063 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | None | None | None | Cc1cc(C)c2c(n1)sc1c(NCc3ccc4c(c3)COC4)ncnc12 | 10.1016/j.bmcl.2021.128416 | ||||
| 29262717 | 140453 | 6 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 344 | 2 | 0 | 5 | 3.1 | Cc1sc2ncnc(N3CCC(C(=O)N4CCCC4)CC3)c2c1C | 10.1016/j.bmcl.2016.05.010 | ||
| CHEMBL3809603 | 140453 | 6 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 344 | 2 | 0 | 5 | 3.1 | Cc1sc2ncnc(N3CCC(C(=O)N4CCCC4)CC3)c2c1C | 10.1016/j.bmcl.2016.05.010 | ||
| 145973325 | 164699 | 0 | None | - | 1 | Rat | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 401 | 3 | 1 | 5 | 3.3 | Cc1cc(C)c2cc(C(=O)NC3CN(c4cnc(C(F)(F)F)cn4)C3)ccc2n1 | 10.1016/j.bmcl.2017.10.016 | ||
| CHEMBL4217458 | 164699 | 0 | None | - | 1 | Rat | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 401 | 3 | 1 | 5 | 3.3 | Cc1cc(C)c2cc(C(=O)NC3CN(c4cnc(C(F)(F)F)cn4)C3)ccc2n1 | 10.1016/j.bmcl.2017.10.016 | ||
| 59654579 | 123581 | 0 | None | -5 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 495 | 5 | 3 | 3 | 4.8 | C/C(=N\c1ccc2c(c1)[C@@H](NC(=O)c1ccc(Br)cc1)[C@H](O)C2)NCc1ccc(F)cc1 | 10.1016/j.bmcl.2015.08.011 | ||
| CHEMBL3618440 | 123581 | 0 | None | -5 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 495 | 5 | 3 | 3 | 4.8 | C/C(=N\c1ccc2c(c1)[C@@H](NC(=O)c1ccc(Br)cc1)[C@H](O)C2)NCc1ccc(F)cc1 | 10.1016/j.bmcl.2015.08.011 | ||
| 156017590 | 177817 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 385 | 4 | 1 | 6 | 2.6 | COc1cc(N2CC(NC(=O)c3ccc4nc(C)c(C)n4c3)C2)c(Cl)cn1 | 10.1016/j.bmcl.2019.126812 | ||
| CHEMBL4644084 | 177817 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 385 | 4 | 1 | 6 | 2.6 | COc1cc(N2CC(NC(=O)c3ccc4nc(C)c(C)n4c3)C2)c(Cl)cn1 | 10.1016/j.bmcl.2019.126812 | ||
| 145973325 | 164699 | 0 | None | - | 1 | Rat | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 401 | 3 | 1 | 5 | 3.3 | Cc1cc(C)c2cc(C(=O)NC3CN(c4cnc(C(F)(F)F)cn4)C3)ccc2n1 | 10.1016/j.bmcl.2017.10.016 | ||
| CHEMBL4217458 | 164699 | 0 | None | - | 1 | Rat | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 401 | 3 | 1 | 5 | 3.3 | Cc1cc(C)c2cc(C(=O)NC3CN(c4cnc(C(F)(F)F)cn4)C3)ccc2n1 | 10.1016/j.bmcl.2017.10.016 | ||
| 162658616 | 181029 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 439 | 4 | 3 | 9 | 1.5 | Cc1c(CO)nnc2sc(C(=O)NC3CN(c4ncc(C(F)(F)F)cn4)C3)c(N)c12 | 10.1016/j.bmcl.2019.05.026 | ||
| CHEMBL4759565 | 181029 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 439 | 4 | 3 | 9 | 1.5 | Cc1c(CO)nnc2sc(C(=O)NC3CN(c4ncc(C(F)(F)F)cn4)C3)c(N)c12 | 10.1016/j.bmcl.2019.05.026 | ||
| 127044706 | 140420 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 334 | 3 | 0 | 5 | 3.7 | Cc1ccc2ncnc(N3CCC(Oc4ccc(C)nc4)CC3)c2c1 | 10.1016/j.bmcl.2016.05.010 | ||
| CHEMBL3809292 | 140420 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 334 | 3 | 0 | 5 | 3.7 | Cc1ccc2ncnc(N3CCC(Oc4ccc(C)nc4)CC3)c2c1 | 10.1016/j.bmcl.2016.05.010 | ||
| 134207678 | 171198 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 414 | 3 | 2 | 7 | 2.7 | Cc1cc2nncn2c2sc(C(=O)NC3CN(c4ccc(F)c(F)c4)C3)c(N)c12 | 10.1016/j.bmcl.2019.06.032 | ||
| CHEMBL4459622 | 171198 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 414 | 3 | 2 | 7 | 2.7 | Cc1cc2nncn2c2sc(C(=O)NC3CN(c4ccc(F)c(F)c4)C3)c(N)c12 | 10.1016/j.bmcl.2019.06.032 | ||
| 134207707 | 172303 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 397 | 2 | 2 | 6 | 3.4 | Cc1c(Cl)c2nncn2c2sc(C(=O)NC3Cc4ccccc4C3)c(N)c12 | 10.1016/j.bmcl.2019.06.032 | ||
| CHEMBL4475459 | 172303 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 397 | 2 | 2 | 6 | 3.4 | Cc1c(Cl)c2nncn2c2sc(C(=O)NC3Cc4ccccc4C3)c(N)c12 | 10.1016/j.bmcl.2019.06.032 | ||
| 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 | ||
| 682264 | 40180 | 15 | None | -1 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 296 | 2 | 1 | 4 | 4.0 | Cc1nc2sc(C(=O)c3ccccc3)c(N)c2c(C)c1C | 10.1016/j.bmcl.2016.07.042 | ||
| CHEMBL1480401 | 40180 | 15 | None | -1 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 296 | 2 | 1 | 4 | 4.0 | Cc1nc2sc(C(=O)c3ccccc3)c(N)c2c(C)c1C | 10.1016/j.bmcl.2016.07.042 | ||
| 89452242 | 175413 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 346 | 3 | 1 | 6 | 4.7 | Cc1nc2sc3c(NCc4ccco4)nn(C)c3c2c(C)c1Cl | 10.1016/j.bmcl.2018.12.039 | ||
| CHEMBL4576513 | 175413 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 346 | 3 | 1 | 6 | 4.7 | Cc1nc2sc3c(NCc4ccco4)nn(C)c3c2c(C)c1Cl | 10.1016/j.bmcl.2018.12.039 | ||
| 134207717 | 171270 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 363 | 2 | 2 | 6 | 3.3 | Cc1cc2nncn2c2sc(C(=O)N[C@H]3CCc4ccccc43)c(N)c12 | 10.1016/j.bmcl.2019.06.032 | ||
| CHEMBL4460701 | 171270 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 363 | 2 | 2 | 6 | 3.3 | Cc1cc2nncn2c2sc(C(=O)N[C@H]3CCc4ccccc43)c(N)c12 | 10.1016/j.bmcl.2019.06.032 | ||
| 134207690 | 174621 | 0 | None | 5 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 434 | 4 | 2 | 9 | 2.4 | Cc1nc2cc(C)c3c(N)c(C(=O)NC4CN(c5cnc(C6CC6)nc5)C4)sc3n2n1 | 10.1016/j.bmcl.2019.06.032 | ||
| CHEMBL4558206 | 174621 | 0 | None | 5 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 434 | 4 | 2 | 9 | 2.4 | Cc1nc2cc(C)c3c(N)c(C(=O)NC4CN(c5cnc(C6CC6)nc5)C4)sc3n2n1 | 10.1016/j.bmcl.2019.06.032 | ||
| 134207705 | 175884 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 377 | 2 | 2 | 6 | 3.6 | Cc1nc2cc(C)c3c(N)c(C(=O)N[C@H]4CCc5ccccc54)sc3n2n1 | 10.1016/j.bmcl.2019.06.032 | ||
| CHEMBL4587040 | 175884 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 377 | 2 | 2 | 6 | 3.6 | Cc1nc2cc(C)c3c(N)c(C(=O)N[C@H]4CCc5ccccc54)sc3n2n1 | 10.1016/j.bmcl.2019.06.032 | ||
| 162647361 | 179657 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 415 | 4 | 2 | 8 | 2.5 | Cc1c(Cl)nnc2sc(C(=O)NC3CN(c4ccc(C5CC5)nn4)C3)c(N)c12 | 10.1016/j.bmcl.2019.05.026 | ||
| CHEMBL4743571 | 179657 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 415 | 4 | 2 | 8 | 2.5 | Cc1c(Cl)nnc2sc(C(=O)NC3CN(c4ccc(C5CC5)nn4)C3)c(N)c12 | 10.1016/j.bmcl.2019.05.026 | ||
| 89452686 | 170648 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 298 | 3 | 2 | 5 | 4.0 | Cc1cc(C)c2c(n1)sc1c(NCc3ccco3)n[nH]c12 | 10.1016/j.bmcl.2018.12.039 | ||
| CHEMBL4451608 | 170648 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 298 | 3 | 2 | 5 | 4.0 | Cc1cc(C)c2c(n1)sc1c(NCc3ccco3)n[nH]c12 | 10.1016/j.bmcl.2018.12.039 | ||
| 134207730 | 173042 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 376 | 2 | 2 | 5 | 3.6 | Cc1cn2c(cc(C)c3c(N)c(C(=O)NC4Cc5ccccc5C4)sc32)n1 | 10.1016/j.bmcl.2019.06.032 | ||
| CHEMBL4519541 | 173042 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 376 | 2 | 2 | 5 | 3.6 | Cc1cn2c(cc(C)c3c(N)c(C(=O)NC4Cc5ccccc5C4)sc32)n1 | 10.1016/j.bmcl.2019.06.032 | ||
| 127044706 | 140420 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 334 | 3 | 0 | 5 | 3.7 | Cc1ccc2ncnc(N3CCC(Oc4ccc(C)nc4)CC3)c2c1 | 10.1016/j.bmcl.2016.05.010 | ||
| CHEMBL3809292 | 140420 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 334 | 3 | 0 | 5 | 3.7 | Cc1ccc2ncnc(N3CCC(Oc4ccc(C)nc4)CC3)c2c1 | 10.1016/j.bmcl.2016.05.010 | ||
| 16309462 | 26156 | 4 | None | -4 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 445 | 4 | 2 | 7 | 2.8 | Cc1sc2ncnc(N3CCC(C(=O)Nc4ccc(S(N)(=O)=O)cc4)CC3)c2c1C | 10.1016/j.bmcl.2016.05.010 | ||
| CHEMBL1357034 | 26156 | 4 | None | -4 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 445 | 4 | 2 | 7 | 2.8 | Cc1sc2ncnc(N3CCC(C(=O)Nc4ccc(S(N)(=O)=O)cc4)CC3)c2c1C | 10.1016/j.bmcl.2016.05.010 | ||
| 53382518 | 86283 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 381 | 3 | 2 | 4 | 4.4 | Cc1nc2sc(C(=O)NCc3cccc(F)c3F)c(N)c2c(C)c1Cl | 10.1016/j.bmcl.2012.10.073 | ||
| CHEMBL2313376 | 86283 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 381 | 3 | 2 | 4 | 4.4 | Cc1nc2sc(C(=O)NCc3cccc(F)c3F)c(N)c2c(C)c1Cl | 10.1016/j.bmcl.2012.10.073 | ||
| 155543990 | 173297 | 0 | None | -4 | 2 | Rat | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 402 | 5 | 1 | 7 | 4.0 | Nc1c(C(=O)c2ccncc2)sc2nc(OCc3ccncc3)c3c(c12)CCC3 | 10.1016/j.bmcl.2016.07.042 | ||
| CHEMBL4526419 | 173297 | 0 | None | -4 | 2 | Rat | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 402 | 5 | 1 | 7 | 4.0 | Nc1c(C(=O)c2ccncc2)sc2nc(OCc3ccncc3)c3c(c12)CCC3 | 10.1016/j.bmcl.2016.07.042 | ||
| 45501061 | 156751 | 12 | None | 2 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 388 | 4 | 1 | 4 | 3.8 | N#Cc1cnc2ccc(F)cc2c1N1CCC(C(=O)NCc2ccccc2)CC1 | 10.1016/j.bmcl.2017.08.043 | ||
| CHEMBL4070787 | 156751 | 12 | None | 2 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 388 | 4 | 1 | 4 | 3.8 | N#Cc1cnc2ccc(F)cc2c1N1CCC(C(=O)NCc2ccccc2)CC1 | 10.1016/j.bmcl.2017.08.043 | ||
| 137641943 | 158454 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 354 | 3 | 2 | 7 | 1.9 | Cc1nnc2sc(C(=O)NC3CN(c4ccccn4)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.05.014 | ||
| CHEMBL4090871 | 158454 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 354 | 3 | 2 | 7 | 1.9 | Cc1nnc2sc(C(=O)NC3CN(c4ccccn4)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.05.014 | ||
| 53382518 | 86283 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 381 | 3 | 2 | 4 | 4.4 | Cc1nc2sc(C(=O)NCc3cccc(F)c3F)c(N)c2c(C)c1Cl | 10.1016/j.bmcl.2012.10.073 | ||
| CHEMBL2313376 | 86283 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 381 | 3 | 2 | 4 | 4.4 | Cc1nc2sc(C(=O)NCc3cccc(F)c3F)c(N)c2c(C)c1Cl | 10.1016/j.bmcl.2012.10.073 | ||
| CHEMBL5087948 | 215107 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | None | None | None | Cc1cc(C)c2c(n1)sc1c(NC3CCCC3)nccc12 | 10.1016/j.bmcl.2021.128416 | ||||
| 156011081 | 177045 | 0 | None | -3 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 404 | 3 | 2 | 6 | 2.8 | Cc1c2c(N)c(C(=O)NC3CN(c4cc(Cl)ncc4Cl)C3)ccc2nn1C | 10.1016/j.bmcl.2019.126811 | ||
| CHEMBL4632962 | 177045 | 0 | None | -3 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 404 | 3 | 2 | 6 | 2.8 | Cc1c2c(N)c(C(=O)NC3CN(c4cc(Cl)ncc4Cl)C3)ccc2nn1C | 10.1016/j.bmcl.2019.126811 | ||
| 25199525 | 16049 | 0 | None | -5 | 3 | Human | 6.9 | pEC50 | = | 6.9 | 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 | -5 | 3 | Human | 6.9 | pEC50 | = | 6.9 | 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 | ||
| 137659901 | 159521 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 383 | 4 | 2 | 7 | 2.5 | COc1ccc(N2CC(NC(=O)c3sc4nnc(C)c(C)c4c3N)C2)cc1 | 10.1016/j.bmcl.2017.05.014 | ||
| CHEMBL4102480 | 159521 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 383 | 4 | 2 | 7 | 2.5 | COc1ccc(N2CC(NC(=O)c3sc4nnc(C)c(C)c4c3N)C2)cc1 | 10.1016/j.bmcl.2017.05.014 | ||
| 53382505 | 86291 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 360 | 4 | 2 | 5 | 3.5 | Cc1nc2sc(C(=O)NCCc3ccncc3)c(N)c2c(C)c1Cl | 10.1016/j.bmcl.2012.10.073 | ||
| CHEMBL2313384 | 86291 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 360 | 4 | 2 | 5 | 3.5 | Cc1nc2sc(C(=O)NCCc3ccncc3)c(N)c2c(C)c1Cl | 10.1016/j.bmcl.2012.10.073 | ||
| 53382505 | 86291 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 360 | 4 | 2 | 5 | 3.5 | Cc1nc2sc(C(=O)NCCc3ccncc3)c(N)c2c(C)c1Cl | 10.1016/j.bmcl.2012.10.073 | ||
| CHEMBL2313384 | 86291 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 360 | 4 | 2 | 5 | 3.5 | Cc1nc2sc(C(=O)NCCc3ccncc3)c(N)c2c(C)c1Cl | 10.1016/j.bmcl.2012.10.073 | ||
| 137654582 | 158980 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 348 | 3 | 0 | 5 | 3.7 | N#Cc1cnc2ccc(F)cc2c1N1CCC(Oc2cccnc2)CC1 | 10.1016/j.bmcl.2017.08.043 | ||
| CHEMBL4096463 | 158980 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 348 | 3 | 0 | 5 | 3.7 | N#Cc1cnc2ccc(F)cc2c1N1CCC(Oc2cccnc2)CC1 | 10.1016/j.bmcl.2017.08.043 | ||
| 56592910 | 76028 | 1 | None | -5 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 299 | 3 | 1 | 5 | 3.3 | COc1ccc(C)c2sc(NC(=O)c3ccncc3)nc12 | 10.1016/j.bmcl.2012.05.109 | ||
| CHEMBL2057392 | 76028 | 1 | None | -5 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 299 | 3 | 1 | 5 | 3.3 | COc1ccc(C)c2sc(NC(=O)c3ccncc3)nc12 | 10.1016/j.bmcl.2012.05.109 | ||
| 137659901 | 159521 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 383 | 4 | 2 | 7 | 2.5 | COc1ccc(N2CC(NC(=O)c3sc4nnc(C)c(C)c4c3N)C2)cc1 | 10.1016/j.bmcl.2017.05.014 | ||
| CHEMBL4102480 | 159521 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 383 | 4 | 2 | 7 | 2.5 | COc1ccc(N2CC(NC(=O)c3sc4nnc(C)c(C)c4c3N)C2)cc1 | 10.1016/j.bmcl.2017.05.014 | ||
| 137654582 | 158980 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 348 | 3 | 0 | 5 | 3.7 | N#Cc1cnc2ccc(F)cc2c1N1CCC(Oc2cccnc2)CC1 | 10.1016/j.bmcl.2017.08.043 | ||
| CHEMBL4096463 | 158980 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 348 | 3 | 0 | 5 | 3.7 | N#Cc1cnc2ccc(F)cc2c1N1CCC(Oc2cccnc2)CC1 | 10.1016/j.bmcl.2017.08.043 | ||
| 71533671 | 111998 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 450 | 4 | 0 | 6 | 2.5 | CCOC(=O)N1CCC(C)(CN2CCC3(CC2)CN(S(C)(=O)=O)c2ncccc23)CC1 | 10.1016/j.bmcl.2014.04.083 | ||
| CHEMBL3289442 | 111998 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 450 | 4 | 0 | 6 | 2.5 | CCOC(=O)N1CCC(C)(CN2CCC3(CC2)CN(S(C)(=O)=O)c2ncccc23)CC1 | 10.1016/j.bmcl.2014.04.083 | ||
| 89777151 | 158549 | 0 | None | 7 | 2 | Rat | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 407 | 4 | 2 | 6 | 4.0 | Cc1nnc2sc(C(=O)NCc3ccc(-c4cccnc4F)cc3)c(N)c2c1C | 10.1016/j.bmcl.2017.04.043 | ||
| CHEMBL4091821 | 158549 | 0 | None | 7 | 2 | Rat | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 407 | 4 | 2 | 6 | 4.0 | Cc1nnc2sc(C(=O)NCc3ccc(-c4cccnc4F)cc3)c(N)c2c1C | 10.1016/j.bmcl.2017.04.043 | ||
| 134207699 | 175354 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 286 | 2 | 2 | 5 | 2.3 | Cc1cc2nccn2c2sc(C(=O)NC3CC3)c(N)c12 | 10.1016/j.bmcl.2019.06.032 | ||
| CHEMBL4574990 | 175354 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 286 | 2 | 2 | 5 | 2.3 | Cc1cc2nccn2c2sc(C(=O)NC3CC3)c(N)c12 | 10.1016/j.bmcl.2019.06.032 | ||
| 734373 | 15247 | 23 | None | - | 1 | Rat | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 311 | 3 | 2 | 4 | 3.4 | Cc1cc(C)c2c(N)c(C(=O)NCc3ccccc3)sc2n1 | 10.1038/nchembio.2007.55 | ||
| CHEMBL1212983 | 15247 | 23 | None | - | 1 | Rat | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 311 | 3 | 2 | 4 | 3.4 | Cc1cc(C)c2c(N)c(C(=O)NCc3ccccc3)sc2n1 | 10.1038/nchembio.2007.55 | ||
| 137650228 | 157243 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 383 | 4 | 2 | 7 | 2.5 | COc1cccc(N2CC(NC(=O)c3sc4nnc(C)c(C)c4c3N)C2)c1 | 10.1016/j.bmcl.2017.05.014 | ||
| CHEMBL4076732 | 157243 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 383 | 4 | 2 | 7 | 2.5 | COc1cccc(N2CC(NC(=O)c3sc4nnc(C)c(C)c4c3N)C2)c1 | 10.1016/j.bmcl.2017.05.014 | ||
| 156022087 | 178172 | 0 | None | 1 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 390 | 3 | 1 | 6 | 2.7 | Cc1nc2cnc(C(=O)NC3CN(c4cc(Cl)ncc4Cl)C3)cn2c1C | 10.1016/j.bmcl.2019.126812 | ||
| CHEMBL4649459 | 178172 | 0 | None | 1 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 390 | 3 | 1 | 6 | 2.7 | Cc1nc2cnc(C(=O)NC3CN(c4cc(Cl)ncc4Cl)C3)cn2c1C | 10.1016/j.bmcl.2019.126812 | ||
| 2159295 | 76026 | 11 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 288 | 3 | 1 | 5 | 3.5 | COc1ccc(C)c2sc(NC(=O)c3ccco3)nc12 | 10.1016/j.bmcl.2012.05.109 | ||
| CHEMBL2057376 | 76026 | 11 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 288 | 3 | 1 | 5 | 3.5 | COc1ccc(C)c2sc(NC(=O)c3ccco3)nc12 | 10.1016/j.bmcl.2012.05.109 | ||
| 122191004 | 123307 | 0 | None | -3 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 521 | 7 | 3 | 4 | 4.7 | COc1ccc(CCN/C(C)=N/c2ccc3c(c2)[C@@H](NC(=O)c2ccc(Br)cc2)[C@H](O)C3)cc1 | 10.1016/j.bmcl.2015.08.011 | ||
| CHEMBL3616497 | 123307 | 0 | None | -3 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 521 | 7 | 3 | 4 | 4.7 | COc1ccc(CCN/C(C)=N/c2ccc3c(c2)[C@@H](NC(=O)c2ccc(Br)cc2)[C@H](O)C3)cc1 | 10.1016/j.bmcl.2015.08.011 | ||
| 156016090 | 177660 | 0 | None | -1 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 404 | 3 | 2 | 6 | 2.5 | Cc1c2c(N)c(C(=O)NC3CN(c4ccc(C(F)(F)F)nc4)C3)ccc2nn1C | 10.1016/j.bmcl.2019.126811 | ||
| CHEMBL4641848 | 177660 | 0 | None | -1 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 404 | 3 | 2 | 6 | 2.5 | Cc1c2c(N)c(C(=O)NC3CN(c4ccc(C(F)(F)F)nc4)C3)ccc2nn1C | 10.1016/j.bmcl.2019.126811 | ||
| 53382500 | 86290 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 360 | 3 | 2 | 5 | 4.0 | Cc1nc2sc(C(=O)NC(C)c3ccccn3)c(N)c2c(C)c1Cl | 10.1016/j.bmcl.2012.10.073 | ||
| CHEMBL2313383 | 86290 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 360 | 3 | 2 | 5 | 4.0 | Cc1nc2sc(C(=O)NC(C)c3ccccn3)c(N)c2c(C)c1Cl | 10.1016/j.bmcl.2012.10.073 | ||
| 44448421 | 12305 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | 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 | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | 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 | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | 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 | ||
| 682264 | 40180 | 15 | None | -1 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 296 | 2 | 1 | 4 | 4.0 | Cc1nc2sc(C(=O)c3ccccc3)c(N)c2c(C)c1C | 10.1016/j.bmcl.2016.07.042 | ||
| CHEMBL1480401 | 40180 | 15 | None | -1 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 296 | 2 | 1 | 4 | 4.0 | Cc1nc2sc(C(=O)c3ccccc3)c(N)c2c(C)c1C | 10.1016/j.bmcl.2016.07.042 | ||
| 89777181 | 144108 | 0 | None | - | 1 | Rat | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 374 | 4 | 2 | 6 | 2.6 | Cc1nnc2sc(C(=O)NCc3ccc([S+](C)[O-])cc3)c(N)c2c1C | 10.1016/j.bmcl.2016.11.086 | ||
| CHEMBL3903798 | 144108 | 0 | None | - | 1 | Rat | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 374 | 4 | 2 | 6 | 2.6 | Cc1nnc2sc(C(=O)NCc3ccc([S+](C)[O-])cc3)c(N)c2c1C | 10.1016/j.bmcl.2016.11.086 | ||
| 53382500 | 86290 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 360 | 3 | 2 | 5 | 4.0 | Cc1nc2sc(C(=O)NC(C)c3ccccn3)c(N)c2c(C)c1Cl | 10.1016/j.bmcl.2012.10.073 | ||
| CHEMBL2313383 | 86290 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 360 | 3 | 2 | 5 | 4.0 | Cc1nc2sc(C(=O)NC(C)c3ccccn3)c(N)c2c(C)c1Cl | 10.1016/j.bmcl.2012.10.073 | ||
| 156019946 | 177958 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 385 | 4 | 1 | 6 | 2.6 | COc1cc(N2CC(NC(=O)c3ccc4nc(C)n(C)c4c3)C2)c(Cl)cn1 | 10.1016/j.bmcl.2019.126812 | ||
| CHEMBL4646110 | 177958 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 385 | 4 | 1 | 6 | 2.6 | COc1cc(N2CC(NC(=O)c3ccc4nc(C)n(C)c4c3)C2)c(Cl)cn1 | 10.1016/j.bmcl.2019.126812 | ||
| 89777181 | 144108 | 0 | None | - | 1 | Rat | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 374 | 4 | 2 | 6 | 2.6 | Cc1nnc2sc(C(=O)NCc3ccc([S+](C)[O-])cc3)c(N)c2c1C | 10.1016/j.bmcl.2016.11.086 | ||
| CHEMBL3903798 | 144108 | 0 | None | - | 1 | Rat | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 374 | 4 | 2 | 6 | 2.6 | Cc1nnc2sc(C(=O)NCc3ccc([S+](C)[O-])cc3)c(N)c2c1C | 10.1016/j.bmcl.2016.11.086 | ||
| 302 | 2956 | 25 | None | 1 | 8 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | 10.1021/acsmedchemlett.9b00106 | ||
| 4630 | 2956 | 25 | None | 1 | 8 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | 10.1021/acsmedchemlett.9b00106 | ||
| CHEMBL7634 | 2956 | 25 | None | 1 | 8 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | 10.1021/acsmedchemlett.9b00106 | ||
| 129277684 | 163527 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 363 | 3 | 2 | 5 | 2.6 | Cc1cc2c(nc1N1CCC(Oc3ccc4[nH]ncc4c3)CC1)CNC2=O | 10.1021/acsmedchemlett.8b00330 | ||
| CHEMBL4202966 | 163527 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 363 | 3 | 2 | 5 | 2.6 | Cc1cc2c(nc1N1CCC(Oc3ccc4[nH]ncc4c3)CC1)CNC2=O | 10.1021/acsmedchemlett.8b00330 | ||
| 135154616 | 164552 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 349 | 3 | 0 | 6 | 3.0 | Cc1cc2c(nc1N1CCC(Oc3cccc(C#N)c3)CC1)COC2=O | 10.1021/acsmedchemlett.8b00330 | ||
| CHEMBL4215436 | 164552 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 349 | 3 | 0 | 6 | 3.0 | Cc1cc2c(nc1N1CCC(Oc3cccc(C#N)c3)CC1)COC2=O | 10.1021/acsmedchemlett.8b00330 | ||
| 134207682 | 173620 | 0 | None | 4 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 461 | 3 | 2 | 8 | 3.5 | Cc1nc2cc(C)c3c(N)c(C(=O)NC4CN(c5cc(Cl)ncc5Cl)C4)sc3n2n1 | 10.1016/j.bmcl.2019.06.032 | ||
| CHEMBL4534301 | 173620 | 0 | None | 4 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 461 | 3 | 2 | 8 | 3.5 | Cc1nc2cc(C)c3c(N)c(C(=O)NC4CN(c5cc(Cl)ncc5Cl)C4)sc3n2n1 | 10.1016/j.bmcl.2019.06.032 | ||
| 134207728 | 174663 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 428 | 3 | 2 | 9 | 2.2 | Cc1nc2cc(C)c3c(N)c(C(=O)NC4CN(c5cnc(Cl)cn5)C4)sc3n2n1 | 10.1016/j.bmcl.2019.06.032 | ||
| CHEMBL4559283 | 174663 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 428 | 3 | 2 | 9 | 2.2 | Cc1nc2cc(C)c3c(N)c(C(=O)NC4CN(c5cnc(Cl)cn5)C4)sc3n2n1 | 10.1016/j.bmcl.2019.06.032 | ||
| 162659751 | 181270 | 0 | None | 2 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 409 | 3 | 2 | 8 | 2.3 | Cc1c(Cl)nnc2sc(C(=O)NC3CN(c4cnc(Cl)cn4)C3)c(N)c12 | 10.1016/j.bmcl.2019.05.026 | ||
| CHEMBL4762280 | 181270 | 0 | None | 2 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 409 | 3 | 2 | 8 | 2.3 | Cc1c(Cl)nnc2sc(C(=O)NC3CN(c4cnc(Cl)cn4)C3)c(N)c12 | 10.1016/j.bmcl.2019.05.026 | ||
| CHEMBL5089790 | 215204 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | None | None | None | Cc1cc(C)c2c(n1)sc1c(NCc3cnc(C)nc3)ncnc12 | 10.1016/j.bmcl.2021.128416 | ||||
| 137650228 | 157243 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 383 | 4 | 2 | 7 | 2.5 | COc1cccc(N2CC(NC(=O)c3sc4nnc(C)c(C)c4c3N)C2)c1 | 10.1016/j.bmcl.2017.05.014 | ||
| CHEMBL4076732 | 157243 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 383 | 4 | 2 | 7 | 2.5 | COc1cccc(N2CC(NC(=O)c3sc4nnc(C)c(C)c4c3N)C2)c1 | 10.1016/j.bmcl.2017.05.014 | ||
| 53382493 | 86281 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 351 | 3 | 2 | 4 | 4.5 | Cc1nc2sc(C(=O)NCC3CCCCC3)c(N)c2c(C)c1Cl | 10.1016/j.bmcl.2012.10.073 | ||
| CHEMBL2313374 | 86281 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 351 | 3 | 2 | 4 | 4.5 | Cc1nc2sc(C(=O)NCC3CCCCC3)c(N)c2c(C)c1Cl | 10.1016/j.bmcl.2012.10.073 | ||
| 53002540 | 159389 | 6 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 384 | 2 | 0 | 5 | 3.0 | N#Cc1cnc2ccc(F)cc2c1N1CCC(C(=O)N2CCSCC2)CC1 | 10.1016/j.bmcl.2017.08.043 | ||
| CHEMBL4100855 | 159389 | 6 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 384 | 2 | 0 | 5 | 3.0 | N#Cc1cnc2ccc(F)cc2c1N1CCC(C(=O)N2CCSCC2)CC1 | 10.1016/j.bmcl.2017.08.043 | ||
| 53382493 | 86281 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 351 | 3 | 2 | 4 | 4.5 | Cc1nc2sc(C(=O)NCC3CCCCC3)c(N)c2c(C)c1Cl | 10.1016/j.bmcl.2012.10.073 | ||
| CHEMBL2313374 | 86281 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 351 | 3 | 2 | 4 | 4.5 | Cc1nc2sc(C(=O)NCC3CCCCC3)c(N)c2c(C)c1Cl | 10.1016/j.bmcl.2012.10.073 | ||
| 53002540 | 159389 | 6 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 384 | 2 | 0 | 5 | 3.0 | N#Cc1cnc2ccc(F)cc2c1N1CCC(C(=O)N2CCSCC2)CC1 | 10.1016/j.bmcl.2017.08.043 | ||
| CHEMBL4100855 | 159389 | 6 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 384 | 2 | 0 | 5 | 3.0 | N#Cc1cnc2ccc(F)cc2c1N1CCC(C(=O)N2CCSCC2)CC1 | 10.1016/j.bmcl.2017.08.043 | ||
| 156016031 | 177602 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 386 | 4 | 1 | 7 | 2.0 | COc1cc(N2CC(NC(=O)c3cc4c(C)nn(C)c4cn3)C2)c(Cl)cn1 | 10.1016/j.bmcl.2019.126812 | ||
| CHEMBL4641135 | 177602 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 386 | 4 | 1 | 7 | 2.0 | COc1cc(N2CC(NC(=O)c3cc4c(C)nn(C)c4cn3)C2)c(Cl)cn1 | 10.1016/j.bmcl.2019.126812 | ||
| 89777316 | 157861 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 407 | 4 | 2 | 6 | 4.0 | Cc1nnc2sc(C(=O)NCc3ccc(-c4cncc(F)c4)cc3)c(N)c2c1C | 10.1016/j.bmcl.2017.04.043 | ||
| CHEMBL4084063 | 157861 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 407 | 4 | 2 | 6 | 4.0 | Cc1nnc2sc(C(=O)NCc3ccc(-c4cncc(F)c4)cc3)c(N)c2c1C | 10.1016/j.bmcl.2017.04.043 | ||
| CHEMBL5077997 | 214503 | 1 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | None | None | None | Cc1cc(C)c2c(n1)sc1c(N3CC4(COC4)C3)ncnc12 | 10.1016/j.bmcl.2021.128416 | ||||
| 682264 | 40180 | 15 | None | 1 | 2 | Rat | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 296 | 2 | 1 | 4 | 4.0 | Cc1nc2sc(C(=O)c3ccccc3)c(N)c2c(C)c1C | 10.1016/j.bmcl.2016.07.042 | ||
| CHEMBL1480401 | 40180 | 15 | None | 1 | 2 | Rat | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 296 | 2 | 1 | 4 | 4.0 | Cc1nc2sc(C(=O)c3ccccc3)c(N)c2c(C)c1C | 10.1016/j.bmcl.2016.07.042 | ||
| 89777316 | 157861 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 407 | 4 | 2 | 6 | 4.0 | Cc1nnc2sc(C(=O)NCc3ccc(-c4cncc(F)c4)cc3)c(N)c2c1C | 10.1016/j.bmcl.2017.04.043 | ||
| CHEMBL4084063 | 157861 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 407 | 4 | 2 | 6 | 4.0 | Cc1nnc2sc(C(=O)NCc3ccc(-c4cncc(F)c4)cc3)c(N)c2c1C | 10.1016/j.bmcl.2017.04.043 | ||
| 155539604 | 172820 | 0 | None | -2 | 2 | Rat | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 313 | 3 | 1 | 6 | 3.1 | COc1ccc(C(=O)c2sc3nnc(C)c(C)c3c2N)cc1 | 10.1016/j.bmcl.2016.07.042 | ||
| CHEMBL4514671 | 172820 | 0 | None | -2 | 2 | Rat | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 313 | 3 | 1 | 6 | 3.1 | COc1ccc(C(=O)c2sc3nnc(C)c(C)c3c2N)cc1 | 10.1016/j.bmcl.2016.07.042 | ||
| 145972844 | 164652 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 370 | 2 | 1 | 5 | 3.7 | Cc1nnc2sc(C(=O)N3CC(c4cccc(F)c4)C3C)c(N)c2c1C | 10.1016/j.bmcl.2017.10.053 | ||
| CHEMBL4216874 | 164652 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 370 | 2 | 1 | 5 | 3.7 | Cc1nnc2sc(C(=O)N3CC(c4cccc(F)c4)C3C)c(N)c2c1C | 10.1016/j.bmcl.2017.10.053 | ||
| 155539604 | 172820 | 0 | None | -2 | 2 | Rat | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 313 | 3 | 1 | 6 | 3.1 | COc1ccc(C(=O)c2sc3nnc(C)c(C)c3c2N)cc1 | 10.1016/j.bmcl.2016.07.042 | ||
| CHEMBL4514671 | 172820 | 0 | None | -2 | 2 | Rat | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 313 | 3 | 1 | 6 | 3.1 | COc1ccc(C(=O)c2sc3nnc(C)c(C)c3c2N)cc1 | 10.1016/j.bmcl.2016.07.042 | ||
| 156012013 | 177343 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 370 | 3 | 2 | 6 | 2.1 | Cc1c2c(N)c(C(=O)NC3CN(c4cccc(Cl)n4)C3)ccc2nn1C | 10.1016/j.bmcl.2019.126811 | ||
| CHEMBL4637785 | 177343 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 370 | 3 | 2 | 6 | 2.1 | Cc1c2c(N)c(C(=O)NC3CN(c4cccc(Cl)n4)C3)ccc2nn1C | 10.1016/j.bmcl.2019.126811 | ||
| 145972844 | 164652 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 370 | 2 | 1 | 5 | 3.7 | Cc1nnc2sc(C(=O)N3CC(c4cccc(F)c4)C3C)c(N)c2c1C | 10.1016/j.bmcl.2017.10.053 | ||
| CHEMBL4216874 | 164652 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 370 | 2 | 1 | 5 | 3.7 | Cc1nnc2sc(C(=O)N3CC(c4cccc(F)c4)C3C)c(N)c2c1C | 10.1016/j.bmcl.2017.10.053 | ||
| 137653138 | 158896 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 375 | 3 | 1 | 5 | 3.5 | N#Cc1cnc2ccc(F)cc2c1N1CCC(C(=O)Nc2ccncc2)CC1 | 10.1016/j.bmcl.2017.08.043 | ||
| CHEMBL4095560 | 158896 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 375 | 3 | 1 | 5 | 3.5 | N#Cc1cnc2ccc(F)cc2c1N1CCC(C(=O)Nc2ccncc2)CC1 | 10.1016/j.bmcl.2017.08.043 | ||
| 53382529 | 86309 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 297 | 2 | 2 | 4 | 3.3 | Cc1nc2sc(C(=O)NC(C)C)c(N)c2c(C)c1Cl | 10.1016/j.bmcl.2012.10.073 | ||
| CHEMBL2313404 | 86309 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 297 | 2 | 2 | 4 | 3.3 | Cc1nc2sc(C(=O)NC(C)C)c(N)c2c(C)c1Cl | 10.1016/j.bmcl.2012.10.073 | ||
| 137653138 | 158896 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 375 | 3 | 1 | 5 | 3.5 | N#Cc1cnc2ccc(F)cc2c1N1CCC(C(=O)Nc2ccncc2)CC1 | 10.1016/j.bmcl.2017.08.043 | ||
| CHEMBL4095560 | 158896 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 375 | 3 | 1 | 5 | 3.5 | N#Cc1cnc2ccc(F)cc2c1N1CCC(C(=O)Nc2ccncc2)CC1 | 10.1016/j.bmcl.2017.08.043 | ||
| 53382529 | 86309 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 297 | 2 | 2 | 4 | 3.3 | Cc1nc2sc(C(=O)NC(C)C)c(N)c2c(C)c1Cl | 10.1016/j.bmcl.2012.10.073 | ||
| CHEMBL2313404 | 86309 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 297 | 2 | 2 | 4 | 3.3 | Cc1nc2sc(C(=O)NC(C)C)c(N)c2c(C)c1Cl | 10.1016/j.bmcl.2012.10.073 | ||
| 156013272 | 177459 | 0 | None | -1 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 400 | 4 | 2 | 7 | 2.1 | COc1cc(N2CC(NC(=O)c3ccc4nn(C)c(C)c4c3N)C2)c(Cl)cn1 | 10.1016/j.bmcl.2019.126811 | ||
| CHEMBL4639222 | 177459 | 0 | None | -1 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 400 | 4 | 2 | 7 | 2.1 | COc1cc(N2CC(NC(=O)c3ccc4nn(C)c(C)c4c3N)C2)c(Cl)cn1 | 10.1016/j.bmcl.2019.126811 | ||
| 156014779 | 177510 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 339 | 3 | 1 | 5 | 3.7 | Cc1c2c(ccc3c(NCc4ccc(F)c(F)c4)ncnc32)nn1C | 10.1016/j.bmcl.2019.126811 | ||
| CHEMBL4640119 | 177510 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 339 | 3 | 1 | 5 | 3.7 | Cc1c2c(ccc3c(NCc4ccc(F)c(F)c4)ncnc32)nn1C | 10.1016/j.bmcl.2019.126811 | ||
| CHEMBL5088165 | 215119 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | None | None | None | Cc1cc(C)c2c(n1)oc1c(NC3CN(c4cc(Cl)ncc4Cl)C3)ncnc12 | 10.1016/j.bmcl.2021.128416 | ||||
| 156014138 | 177218 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 396 | 4 | 1 | 9 | 2.3 | COc1cc(N2CC(Nc3ncnc4c3ccc3nnn(C)c34)C2)c(Cl)cn1 | 10.1016/j.bmcl.2019.126811 | ||
| CHEMBL4635779 | 177218 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 396 | 4 | 1 | 9 | 2.3 | COc1cc(N2CC(Nc3ncnc4c3ccc3nnn(C)c34)C2)c(Cl)cn1 | 10.1016/j.bmcl.2019.126811 | ||
| 71528087 | 87556 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 385 | 4 | 0 | 4 | 2.9 | CCOC(=O)N1CCC(C)(CN2CC[C@H](N3C(=O)Cc4ccccc43)C2)CC1 | 10.1021/ml300372f | ||
| CHEMBL2336056 | 87556 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 385 | 4 | 0 | 4 | 2.9 | CCOC(=O)N1CCC(C)(CN2CC[C@H](N3C(=O)Cc4ccccc43)C2)CC1 | 10.1021/ml300372f | ||
| 145966439 | 164244 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 418 | 4 | 1 | 8 | 2.3 | COc1ccc(OC2CCN(c3nc4oc(=O)[nH]c(=O)c4c(Cl)c3C)CC2)cn1 | 10.1021/acsmedchemlett.8b00330 | ||
| CHEMBL4211671 | 164244 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 418 | 4 | 1 | 8 | 2.3 | COc1ccc(OC2CCN(c3nc4oc(=O)[nH]c(=O)c4c(Cl)c3C)CC2)cn1 | 10.1021/acsmedchemlett.8b00330 | ||
| 137656783 | 159660 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 372 | 3 | 2 | 7 | 2.0 | Cc1nnc2sc(C(=O)NC3CN(c4cncc(F)c4)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.05.014 | ||
| CHEMBL4104144 | 159660 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 372 | 3 | 2 | 7 | 2.0 | Cc1nnc2sc(C(=O)NC3CN(c4cncc(F)c4)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.05.014 | ||
| 162657433 | 181139 | 0 | None | 5 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 428 | 4 | 2 | 7 | 3.4 | Cc1cc(C2CC2)ncc1N1CC(NC(=O)c2sc3nnc(Cl)c(C)c3c2N)C1 | 10.1016/j.bmcl.2019.05.026 | ||
| CHEMBL4760902 | 181139 | 0 | None | 5 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 428 | 4 | 2 | 7 | 3.4 | Cc1cc(C2CC2)ncc1N1CC(NC(=O)c2sc3nnc(Cl)c(C)c3c2N)C1 | 10.1016/j.bmcl.2019.05.026 | ||
| 162663713 | 181944 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 459 | 4 | 2 | 8 | 2.9 | Cc1c(C(F)F)nnc2sc(C(=O)NC3CN(c4ncc(C(F)(F)F)cn4)C3)c(N)c12 | 10.1016/j.bmcl.2019.05.026 | ||
| CHEMBL4780059 | 181944 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 459 | 4 | 2 | 8 | 2.9 | Cc1c(C(F)F)nnc2sc(C(=O)NC3CN(c4ncc(C(F)(F)F)cn4)C3)c(N)c12 | 10.1016/j.bmcl.2019.05.026 | ||
| CHEMBL5079861 | 214626 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | None | None | None | Cc1cc(C)c2c(n1)sc1c(NC3CN(c4ncc(C(F)(F)F)cn4)C3)nccc12 | 10.1016/j.bmcl.2021.128416 | ||||
| 683024 | 51276 | 24 | None | -1 | 2 | Rat | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 282 | 2 | 1 | 4 | 3.7 | Cc1cc(C)c2c(N)c(C(=O)c3ccccc3)sc2n1 | 10.1016/j.bmcl.2016.07.042 | ||
| CHEMBL1581020 | 51276 | 24 | None | -1 | 2 | Rat | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 282 | 2 | 1 | 4 | 3.7 | Cc1cc(C)c2c(N)c(C(=O)c3ccccc3)sc2n1 | 10.1016/j.bmcl.2016.07.042 | ||
| 117916889 | 170451 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 356 | 4 | 1 | 4 | 4.9 | CSc1ccc(CNC(=O)c2sc3nc(C)cc(C)c3c2C)cc1 | 10.1016/j.bmcl.2018.12.039 | ||
| CHEMBL4448985 | 170451 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 356 | 4 | 1 | 4 | 4.9 | CSc1ccc(CNC(=O)c2sc3nc(C)cc(C)c3c2C)cc1 | 10.1016/j.bmcl.2018.12.039 | ||
| 117910878 | 174384 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 345 | 4 | 1 | 5 | 3.4 | COc1ccc(CNC(=O)c2cc3c(C)c(C)nnc3s2)cc1F | 10.1016/j.bmcl.2018.12.039 | ||
| CHEMBL4552552 | 174384 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 345 | 4 | 1 | 5 | 3.4 | COc1ccc(CNC(=O)c2cc3c(C)c(C)nnc3s2)cc1F | 10.1016/j.bmcl.2018.12.039 | ||
| 145966183 | 164216 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 356 | 2 | 1 | 5 | 3.3 | Cc1nnc2sc(C(=O)N3CC(c4ccc(F)cc4)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.10.053 | ||
| CHEMBL4211252 | 164216 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 356 | 2 | 1 | 5 | 3.3 | Cc1nnc2sc(C(=O)N3CC(c4ccc(F)cc4)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.10.053 | ||
| 145966183 | 164216 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 356 | 2 | 1 | 5 | 3.3 | Cc1nnc2sc(C(=O)N3CC(c4ccc(F)cc4)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.10.053 | ||
| CHEMBL4211252 | 164216 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 356 | 2 | 1 | 5 | 3.3 | Cc1nnc2sc(C(=O)N3CC(c4ccc(F)cc4)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.10.053 | ||
| 145964807 | 164259 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 352 | 2 | 1 | 5 | 3.5 | Cc1nnc2sc(C(=O)N3CC(c4ccccc4)C3C)c(N)c2c1C | 10.1016/j.bmcl.2017.10.053 | ||
| CHEMBL4211897 | 164259 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 352 | 2 | 1 | 5 | 3.5 | Cc1nnc2sc(C(=O)N3CC(c4ccccc4)C3C)c(N)c2c1C | 10.1016/j.bmcl.2017.10.053 | ||
| 683024 | 51276 | 24 | None | -1 | 2 | Rat | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 282 | 2 | 1 | 4 | 3.7 | Cc1cc(C)c2c(N)c(C(=O)c3ccccc3)sc2n1 | 10.1016/j.bmcl.2016.07.042 | ||
| CHEMBL1581020 | 51276 | 24 | None | -1 | 2 | Rat | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 282 | 2 | 1 | 4 | 3.7 | Cc1cc(C)c2c(N)c(C(=O)c3ccccc3)sc2n1 | 10.1016/j.bmcl.2016.07.042 | ||
| 145964807 | 164259 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 352 | 2 | 1 | 5 | 3.5 | Cc1nnc2sc(C(=O)N3CC(c4ccccc4)C3C)c(N)c2c1C | 10.1016/j.bmcl.2017.10.053 | ||
| CHEMBL4211897 | 164259 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 352 | 2 | 1 | 5 | 3.5 | Cc1nnc2sc(C(=O)N3CC(c4ccccc4)C3C)c(N)c2c1C | 10.1016/j.bmcl.2017.10.053 | ||
| CHEMBL5085861 | 214972 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | None | None | None | Cc1cc(C)c2c(n1)sc1c(C3CCOCC3)ncnc12 | 10.1016/j.bmcl.2021.128416 | ||||
| 53382480 | 86300 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 381 | 3 | 2 | 4 | 4.4 | Cc1nc2sc(C(=O)NCc3ccc(F)c(F)c3)c(N)c2c(C)c1Cl | 10.1016/j.bmcl.2012.10.073 | ||
| CHEMBL2313393 | 86300 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 381 | 3 | 2 | 4 | 4.4 | Cc1nc2sc(C(=O)NCc3ccc(F)c(F)c3)c(N)c2c(C)c1Cl | 10.1016/j.bmcl.2012.10.073 | ||
| 1505737 | 86301 | 12 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 379 | 3 | 2 | 4 | 4.7 | Cc1nc2sc(C(=O)NCc3ccccc3Cl)c(N)c2c(C)c1Cl | 10.1016/j.bmcl.2012.10.073 | ||
| CHEMBL2313394 | 86301 | 12 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 379 | 3 | 2 | 4 | 4.7 | Cc1nc2sc(C(=O)NCc3ccccc3Cl)c(N)c2c(C)c1Cl | 10.1016/j.bmcl.2012.10.073 | ||
| 137632847 | 156414 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 407 | 4 | 2 | 6 | 4.0 | Cc1nnc2sc(C(=O)NCc3ccc(-c4ccncc4F)cc3)c(N)c2c1C | 10.1016/j.bmcl.2017.04.043 | ||
| CHEMBL4066953 | 156414 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 407 | 4 | 2 | 6 | 4.0 | Cc1nnc2sc(C(=O)NCc3ccc(-c4ccncc4F)cc3)c(N)c2c1C | 10.1016/j.bmcl.2017.04.043 | ||
| CHEMBL5090162 | 215223 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | None | None | None | Cc1cc(C)c2c(n1)sc1c(NCc3ccc(-n4ccnc4)nc3)ncnc12 | 10.1016/j.bmcl.2021.128416 | ||||
| 156013904 | 177215 | 0 | None | -1 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 395 | 3 | 2 | 7 | 2.0 | Cc1c2c(N)c(C(=O)NC3CN(c4ncc(C#N)cc4Cl)C3)ccc2nn1C | 10.1016/j.bmcl.2019.126811 | ||
| CHEMBL4635732 | 177215 | 0 | None | -1 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 395 | 3 | 2 | 7 | 2.0 | Cc1c2c(N)c(C(=O)NC3CN(c4ncc(C#N)cc4Cl)C3)ccc2nn1C | 10.1016/j.bmcl.2019.126811 | ||
| 42599068 | 16047 | 0 | None | -50 | 5 | Human | 6.8 | pEC50 | = | 6.8 | 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 | -50 | 5 | Human | 6.8 | pEC50 | = | 6.8 | 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 | ||
| 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 | ||
| 137649420 | 157497 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 388 | 3 | 2 | 7 | 2.6 | Cc1nnc2sc(C(=O)NC3CN(c4ccnc(Cl)c4)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.05.014 | ||
| CHEMBL4079904 | 157497 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 388 | 3 | 2 | 7 | 2.6 | Cc1nnc2sc(C(=O)NC3CN(c4ccnc(Cl)c4)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.05.014 | ||
| 42598359 | 16074 | 0 | None | -125 | 5 | Human | 5.8 | pEC50 | = | 5.8 | 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 | -125 | 5 | Human | 5.8 | pEC50 | = | 5.8 | 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 | ||
| 42598586 | 16091 | 0 | None | -7 | 4 | Human | 5.8 | pEC50 | = | 5.8 | 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 | -7 | 4 | Human | 5.8 | pEC50 | = | 5.8 | 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 | ||
| 89777262 | 156654 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 388 | 4 | 2 | 5 | 4.5 | Cc1nnc2sc(C(=O)NCc3cccc(-c4ccccc4)c3)c(N)c2c1C | 10.1016/j.bmcl.2017.04.043 | ||
| CHEMBL4069641 | 156654 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 388 | 4 | 2 | 5 | 4.5 | Cc1nnc2sc(C(=O)NCc3cccc(-c4ccccc4)c3)c(N)c2c1C | 10.1016/j.bmcl.2017.04.043 | ||
| 25162692 | 53652 | 5 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 418 | 3 | 1 | 5 | 5.0 | Cc1sc2ncnc(N3CCC(C(=O)Nc4ccc(F)cc4Cl)CC3)c2c1C | 10.1016/j.bmcl.2016.05.010 | ||
| CHEMBL1603219 | 53652 | 5 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 418 | 3 | 1 | 5 | 5.0 | Cc1sc2ncnc(N3CCC(C(=O)Nc4ccc(F)cc4Cl)CC3)c2c1C | 10.1016/j.bmcl.2016.05.010 | ||
| 137656230 | 159022 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 390 | 4 | 2 | 7 | 3.3 | Cc1nnc2sc(C(=O)NCc3ccc(-c4cnccn4)cc3)c(N)c2c1C | 10.1016/j.bmcl.2017.04.043 | ||
| CHEMBL4096878 | 159022 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 390 | 4 | 2 | 7 | 3.3 | Cc1nnc2sc(C(=O)NCc3ccc(-c4cnccn4)cc3)c(N)c2c1C | 10.1016/j.bmcl.2017.04.043 | ||
| CHEMBL5088899 | 215162 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | None | None | None | Cc1cc(C)c2c(n1)oc1c(NC3CCC3)ncnc12 | 10.1016/j.bmcl.2021.128416 | ||||
| 155524827 | 170893 | 0 | None | 12 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 367 | 4 | 0 | 6 | 3.1 | COc1cccnc1C1CCN(C2CCCN(c3cnccn3)CC2)CC1 | 10.1021/acsmedchemlett.9b00106 | ||
| CHEMBL4455058 | 170893 | 0 | None | 12 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 367 | 4 | 0 | 6 | 3.1 | COc1cccnc1C1CCN(C2CCCN(c3cnccn3)CC2)CC1 | 10.1021/acsmedchemlett.9b00106 | ||
| 134207713 | 170296 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 321 | 2 | 2 | 6 | 2.4 | Cc1c(Cl)c2nncn2c2sc(C(=O)NC3CC3)c(N)c12 | 10.1016/j.bmcl.2019.06.032 | ||
| CHEMBL4446894 | 170296 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 321 | 2 | 2 | 6 | 2.4 | Cc1c(Cl)c2nncn2c2sc(C(=O)NC3CC3)c(N)c12 | 10.1016/j.bmcl.2019.06.032 | ||
| 137656783 | 159660 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 372 | 3 | 2 | 7 | 2.0 | Cc1nnc2sc(C(=O)NC3CN(c4cncc(F)c4)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.05.014 | ||
| CHEMBL4104144 | 159660 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 372 | 3 | 2 | 7 | 2.0 | Cc1nnc2sc(C(=O)NC3CN(c4cncc(F)c4)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.05.014 | ||
| 137646286 | 157793 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 384 | 4 | 2 | 8 | 1.9 | COc1cncc(N2CC(NC(=O)c3sc4nnc(C)c(C)c4c3N)C2)c1 | 10.1016/j.bmcl.2017.05.014 | ||
| CHEMBL4083327 | 157793 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 384 | 4 | 2 | 8 | 1.9 | COc1cncc(N2CC(NC(=O)c3sc4nnc(C)c(C)c4c3N)C2)c1 | 10.1016/j.bmcl.2017.05.014 | ||
| 155557669 | 174638 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 419 | 4 | 1 | 8 | 3.4 | Cc1nnc2sc3c(NCc4ccc(S(C)(=O)=O)c(F)c4)nn(C)c3c2c1C | 10.1016/j.bmcl.2018.12.039 | ||
| CHEMBL4558665 | 174638 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 419 | 4 | 1 | 8 | 3.4 | Cc1nnc2sc3c(NCc4ccc(S(C)(=O)=O)c(F)c4)nn(C)c3c2c1C | 10.1016/j.bmcl.2018.12.039 | ||
| 134207694 | 170276 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 399 | 4 | 2 | 7 | 3.2 | COc1ccc(CNC(=O)c2sc3c(c(C)cc4nc(C)nn43)c2N)cc1F | 10.1016/j.bmcl.2019.06.032 | ||
| CHEMBL4446559 | 170276 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 399 | 4 | 2 | 7 | 3.2 | COc1ccc(CNC(=O)c2sc3c(c(C)cc4nc(C)nn43)c2N)cc1F | 10.1016/j.bmcl.2019.06.032 | ||
| 134207702 | 172336 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 442 | 3 | 2 | 9 | 2.5 | Cc1nc(Cl)cc(N2CC(NC(=O)c3sc4c(c(C)cc5nc(C)nn54)c3N)C2)n1 | 10.1016/j.bmcl.2019.06.032 | ||
| CHEMBL4475984 | 172336 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 442 | 3 | 2 | 9 | 2.5 | Cc1nc(Cl)cc(N2CC(NC(=O)c3sc4c(c(C)cc5nc(C)nn54)c3N)C2)n1 | 10.1016/j.bmcl.2019.06.032 | ||
| 53382480 | 86300 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 381 | 3 | 2 | 4 | 4.4 | Cc1nc2sc(C(=O)NCc3ccc(F)c(F)c3)c(N)c2c(C)c1Cl | 10.1016/j.bmcl.2012.10.073 | ||
| CHEMBL2313393 | 86300 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 381 | 3 | 2 | 4 | 4.4 | Cc1nc2sc(C(=O)NCc3ccc(F)c(F)c3)c(N)c2c(C)c1Cl | 10.1016/j.bmcl.2012.10.073 | ||
| 1505737 | 86301 | 12 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 379 | 3 | 2 | 4 | 4.7 | Cc1nc2sc(C(=O)NCc3ccccc3Cl)c(N)c2c(C)c1Cl | 10.1016/j.bmcl.2012.10.073 | ||
| CHEMBL2313394 | 86301 | 12 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 379 | 3 | 2 | 4 | 4.7 | Cc1nc2sc(C(=O)NCc3ccccc3Cl)c(N)c2c(C)c1Cl | 10.1016/j.bmcl.2012.10.073 | ||
| 16309462 | 26156 | 4 | None | 4 | 2 | Rat | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 445 | 4 | 2 | 7 | 2.8 | Cc1sc2ncnc(N3CCC(C(=O)Nc4ccc(S(N)(=O)=O)cc4)CC3)c2c1C | 10.1016/j.bmcl.2016.05.010 | ||
| CHEMBL1357034 | 26156 | 4 | None | 4 | 2 | Rat | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 445 | 4 | 2 | 7 | 2.8 | Cc1sc2ncnc(N3CCC(C(=O)Nc4ccc(S(N)(=O)=O)cc4)CC3)c2c1C | 10.1016/j.bmcl.2016.05.010 | ||
| 25162692 | 53652 | 5 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 418 | 3 | 1 | 5 | 5.0 | Cc1sc2ncnc(N3CCC(C(=O)Nc4ccc(F)cc4Cl)CC3)c2c1C | 10.1016/j.bmcl.2016.05.010 | ||
| CHEMBL1603219 | 53652 | 5 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 418 | 3 | 1 | 5 | 5.0 | Cc1sc2ncnc(N3CCC(C(=O)Nc4ccc(F)cc4Cl)CC3)c2c1C | 10.1016/j.bmcl.2016.05.010 | ||
| CHEMBL5082166 | 214767 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | None | None | None | COc1ccc(C2CC2Nc2ncnc3c2sc2nc(C)cc(C)c23)cc1 | 10.1016/j.bmcl.2021.128416 | ||||
| 155510640 | 174010 | 0 | None | -1 | 2 | Rat | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 283 | 2 | 1 | 5 | 3.1 | Cc1nnc2sc(C(=O)c3ccccc3)c(N)c2c1C | 10.1016/j.bmcl.2016.07.042 | ||
| CHEMBL4543522 | 174010 | 0 | None | -1 | 2 | Rat | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 283 | 2 | 1 | 5 | 3.1 | Cc1nnc2sc(C(=O)c3ccccc3)c(N)c2c1C | 10.1016/j.bmcl.2016.07.042 | ||
| 137647620 | 157574 | 0 | None | 2 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 362 | 3 | 0 | 5 | 4.0 | Cc1ccc(OC2CCN(c3c(C#N)cnc4ccc(F)cc34)CC2)cn1 | 10.1016/j.bmcl.2017.08.043 | ||
| CHEMBL4080878 | 157574 | 0 | None | 2 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 362 | 3 | 0 | 5 | 4.0 | Cc1ccc(OC2CCN(c3c(C#N)cnc4ccc(F)cc34)CC2)cn1 | 10.1016/j.bmcl.2017.08.043 | ||
| 89777262 | 156654 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 388 | 4 | 2 | 5 | 4.5 | Cc1nnc2sc(C(=O)NCc3cccc(-c4ccccc4)c3)c(N)c2c1C | 10.1016/j.bmcl.2017.04.043 | ||
| CHEMBL4069641 | 156654 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 388 | 4 | 2 | 5 | 4.5 | Cc1nnc2sc(C(=O)NCc3cccc(-c4ccccc4)c3)c(N)c2c1C | 10.1016/j.bmcl.2017.04.043 | ||
| 137646601 | 157978 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 378 | 3 | 1 | 6 | 2.8 | Cn1nccc1NC(=O)C1CCN(c2c(C#N)cnc3ccc(F)cc23)CC1 | 10.1016/j.bmcl.2017.08.043 | ||
| CHEMBL4085378 | 157978 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 378 | 3 | 1 | 6 | 2.8 | Cn1nccc1NC(=O)C1CCN(c2c(C#N)cnc3ccc(F)cc23)CC1 | 10.1016/j.bmcl.2017.08.043 | ||
| 155510640 | 174010 | 0 | None | -1 | 2 | Rat | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 283 | 2 | 1 | 5 | 3.1 | Cc1nnc2sc(C(=O)c3ccccc3)c(N)c2c1C | 10.1016/j.bmcl.2016.07.042 | ||
| CHEMBL4543522 | 174010 | 0 | None | -1 | 2 | Rat | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 283 | 2 | 1 | 5 | 3.1 | Cc1nnc2sc(C(=O)c3ccccc3)c(N)c2c1C | 10.1016/j.bmcl.2016.07.042 | ||
| 137640564 | 157019 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 390 | 3 | 2 | 5 | 3.6 | Cc1nnc2sc(C(=O)NCc3cccc(Br)c3)c(N)c2c1C | 10.1016/j.bmcl.2017.04.043 | ||
| CHEMBL4073827 | 157019 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 390 | 3 | 2 | 5 | 3.6 | Cc1nnc2sc(C(=O)NCc3cccc(Br)c3)c(N)c2c1C | 10.1016/j.bmcl.2017.04.043 | ||
| 26441386 | 140346 | 2 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 360 | 2 | 0 | 6 | 2.4 | Cc1sc2ncnc(N3CCC(C(=O)N4CCOCC4)CC3)c2c1C | 10.1016/j.bmcl.2016.05.010 | ||
| CHEMBL3808425 | 140346 | 2 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 360 | 2 | 0 | 6 | 2.4 | Cc1sc2ncnc(N3CCC(C(=O)N4CCOCC4)CC3)c2c1C | 10.1016/j.bmcl.2016.05.010 | ||
| 134207723 | 175362 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 363 | 2 | 2 | 6 | 2.7 | Cc1cc2nncn2c2sc(C(=O)NC3Cc4ccccc4C3)c(N)c12 | 10.1016/j.bmcl.2019.06.032 | ||
| CHEMBL4575270 | 175362 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 363 | 2 | 2 | 6 | 2.7 | Cc1cc2nncn2c2sc(C(=O)NC3Cc4ccccc4C3)c(N)c12 | 10.1016/j.bmcl.2019.06.032 | ||
| 137646286 | 157793 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 384 | 4 | 2 | 8 | 1.9 | COc1cncc(N2CC(NC(=O)c3sc4nnc(C)c(C)c4c3N)C2)c1 | 10.1016/j.bmcl.2017.05.014 | ||
| CHEMBL4083327 | 157793 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 384 | 4 | 2 | 8 | 1.9 | COc1cncc(N2CC(NC(=O)c3sc4nnc(C)c(C)c4c3N)C2)c1 | 10.1016/j.bmcl.2017.05.014 | ||
| 129277689 | 163995 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 395 | 3 | 1 | 6 | 2.5 | Cc1cc2c(nc1N1CC[C@@H](Oc3ccc4c(cnn4C)c3)[C@@H](F)C1)CNC2=O | 10.1021/acsmedchemlett.8b00330 | ||
| CHEMBL4208543 | 163995 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 395 | 3 | 1 | 6 | 2.5 | Cc1cc2c(nc1N1CC[C@@H](Oc3ccc4c(cnn4C)c3)[C@@H](F)C1)CNC2=O | 10.1021/acsmedchemlett.8b00330 | ||
| 12301 | 4016 | 30 | None | 7 | 2 | Rat | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 444 | 4 | 2 | 7 | 3.1 | Cc1c(nnc2c1c(c(s2)C(=O)NCc1ccc(cc1)S(=O)(=O)C(F)(F)F)N)C | 10.1016/j.bmcl.2016.11.086 | ||
| 73774630 | 4016 | 30 | None | 7 | 2 | Rat | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 444 | 4 | 2 | 7 | 3.1 | Cc1c(nnc2c1c(c(s2)C(=O)NCc1ccc(cc1)S(=O)(=O)C(F)(F)F)N)C | 10.1016/j.bmcl.2016.11.086 | ||
| CHEMBL3915634 | 4016 | 30 | None | 7 | 2 | Rat | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 444 | 4 | 2 | 7 | 3.1 | Cc1c(nnc2c1c(c(s2)C(=O)NCc1ccc(cc1)S(=O)(=O)C(F)(F)F)N)C | 10.1016/j.bmcl.2016.11.086 | ||
| 89768534 | 151610 | 0 | None | 14 | 2 | Rat | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 426 | 5 | 2 | 7 | 2.8 | Cc1nnc2sc(C(=O)NCc3ccc(S(=O)(=O)C(F)F)cc3)c(N)c2c1C | 10.1016/j.bmcl.2016.11.086 | ||
| CHEMBL3963788 | 151610 | 0 | None | 14 | 2 | Rat | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 426 | 5 | 2 | 7 | 2.8 | Cc1nnc2sc(C(=O)NCc3ccc(S(=O)(=O)C(F)F)cc3)c(N)c2c1C | 10.1016/j.bmcl.2016.11.086 | ||
| 12301 | 4016 | 30 | None | 7 | 2 | Rat | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 444 | 4 | 2 | 7 | 3.1 | Cc1c(nnc2c1c(c(s2)C(=O)NCc1ccc(cc1)S(=O)(=O)C(F)(F)F)N)C | 10.1016/j.bmcl.2016.11.086 | ||
| 73774630 | 4016 | 30 | None | 7 | 2 | Rat | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 444 | 4 | 2 | 7 | 3.1 | Cc1c(nnc2c1c(c(s2)C(=O)NCc1ccc(cc1)S(=O)(=O)C(F)(F)F)N)C | 10.1016/j.bmcl.2016.11.086 | ||
| CHEMBL3915634 | 4016 | 30 | None | 7 | 2 | Rat | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 444 | 4 | 2 | 7 | 3.1 | Cc1c(nnc2c1c(c(s2)C(=O)NCc1ccc(cc1)S(=O)(=O)C(F)(F)F)N)C | 10.1016/j.bmcl.2016.11.086 | ||
| 89768534 | 151610 | 0 | None | 14 | 2 | Rat | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 426 | 5 | 2 | 7 | 2.8 | Cc1nnc2sc(C(=O)NCc3ccc(S(=O)(=O)C(F)F)cc3)c(N)c2c1C | 10.1016/j.bmcl.2016.11.086 | ||
| CHEMBL3963788 | 151610 | 0 | None | 14 | 2 | Rat | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 426 | 5 | 2 | 7 | 2.8 | Cc1nnc2sc(C(=O)NCc3ccc(S(=O)(=O)C(F)F)cc3)c(N)c2c1C | 10.1016/j.bmcl.2016.11.086 | ||
| 162644740 | 179401 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 441 | 4 | 2 | 8 | 2.5 | Cc1c(CF)nnc2sc(C(=O)NC3CN(c4ncc(C(F)(F)F)cn4)C3)c(N)c12 | 10.1016/j.bmcl.2019.05.026 | ||
| CHEMBL4740272 | 179401 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 441 | 4 | 2 | 8 | 2.5 | Cc1c(CF)nnc2sc(C(=O)NC3CN(c4ncc(C(F)(F)F)cn4)C3)c(N)c12 | 10.1016/j.bmcl.2019.05.026 | ||
| 26441386 | 140346 | 2 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 360 | 2 | 0 | 6 | 2.4 | Cc1sc2ncnc(N3CCC(C(=O)N4CCOCC4)CC3)c2c1C | 10.1016/j.bmcl.2016.05.010 | ||
| CHEMBL3808425 | 140346 | 2 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 360 | 2 | 0 | 6 | 2.4 | Cc1sc2ncnc(N3CCC(C(=O)N4CCOCC4)CC3)c2c1C | 10.1016/j.bmcl.2016.05.010 | ||
| 137632847 | 156414 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 407 | 4 | 2 | 6 | 4.0 | Cc1nnc2sc(C(=O)NCc3ccc(-c4ccncc4F)cc3)c(N)c2c1C | 10.1016/j.bmcl.2017.04.043 | ||
| CHEMBL4066953 | 156414 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 407 | 4 | 2 | 6 | 4.0 | Cc1nnc2sc(C(=O)NCc3ccc(-c4ccncc4F)cc3)c(N)c2c1C | 10.1016/j.bmcl.2017.04.043 | ||
| 156020948 | 178093 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 348 | 4 | 2 | 7 | 2.8 | Cn1nnc2ccc3c(NCc4ccc(C(C)(C)O)cc4)ncnc3c21 | 10.1016/j.bmcl.2019.126811 | ||
| CHEMBL4648135 | 178093 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 348 | 4 | 2 | 7 | 2.8 | Cn1nnc2ccc3c(NCc4ccc(C(C)(C)O)cc4)ncnc3c21 | 10.1016/j.bmcl.2019.126811 | ||
| CHEMBL5082904 | 214808 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | None | None | None | Cc1cc(C)c2c(n1)sc1c(N3CCC3)ncnc12 | 10.1016/j.bmcl.2021.128416 | ||||
| 156020141 | 178032 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 348 | 3 | 2 | 8 | 0.4 | Cn1nnc2ccc(C(=O)NC3CN(c4ccc(C#N)cn4)C3)c(N)c21 | 10.1016/j.bmcl.2019.126811 | ||
| CHEMBL4647288 | 178032 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 348 | 3 | 2 | 8 | 0.4 | Cn1nnc2ccc(C(=O)NC3CN(c4ccc(C#N)cn4)C3)c(N)c21 | 10.1016/j.bmcl.2019.126811 | ||
| 127043636 | 140461 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 358 | 3 | 0 | 6 | 3.9 | Cc1sc2ncnc(N3CCC(Oc4ccc(F)nc4)CC3)c2c1C | 10.1016/j.bmcl.2016.05.010 | ||
| CHEMBL3809693 | 140461 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 358 | 3 | 0 | 6 | 3.9 | Cc1sc2ncnc(N3CCC(Oc4ccc(F)nc4)CC3)c2c1C | 10.1016/j.bmcl.2016.05.010 | ||
| 53382478 | 86305 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 413 | 3 | 2 | 4 | 5.1 | Cc1nc2sc(C(=O)NCc3ccc(C(F)(F)F)cc3)c(N)c2c(C)c1Cl | 10.1016/j.bmcl.2012.10.073 | ||
| CHEMBL2313398 | 86305 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 413 | 3 | 2 | 4 | 5.1 | Cc1nc2sc(C(=O)NCc3ccc(C(F)(F)F)cc3)c(N)c2c(C)c1Cl | 10.1016/j.bmcl.2012.10.073 | ||
| 53382478 | 86305 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 413 | 3 | 2 | 4 | 5.1 | Cc1nc2sc(C(=O)NCc3ccc(C(F)(F)F)cc3)c(N)c2c(C)c1Cl | 10.1016/j.bmcl.2012.10.073 | ||
| CHEMBL2313398 | 86305 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 413 | 3 | 2 | 4 | 5.1 | Cc1nc2sc(C(=O)NCc3ccc(C(F)(F)F)cc3)c(N)c2c(C)c1Cl | 10.1016/j.bmcl.2012.10.073 | ||
| 137646601 | 157978 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 378 | 3 | 1 | 6 | 2.8 | Cn1nccc1NC(=O)C1CCN(c2c(C#N)cnc3ccc(F)cc23)CC1 | 10.1016/j.bmcl.2017.08.043 | ||
| CHEMBL4085378 | 157978 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 378 | 3 | 1 | 6 | 2.8 | Cn1nccc1NC(=O)C1CCN(c2c(C#N)cnc3ccc(F)cc23)CC1 | 10.1016/j.bmcl.2017.08.043 | ||
| 89777147 | 156355 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 382 | 3 | 2 | 7 | 1.5 | Cc1nnc2sc(C(=O)NC3CN(C(=O)c4ccncc4)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.05.014 | ||
| CHEMBL4066301 | 156355 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 382 | 3 | 2 | 7 | 1.5 | Cc1nnc2sc(C(=O)NC3CN(C(=O)c4ccncc4)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.05.014 | ||
| 89777355 | 164598 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 344 | 2 | 1 | 5 | 3.5 | Cc1nnc2sc(C(=O)N3CC(C4CCCCC4)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.10.053 | ||
| CHEMBL4216038 | 164598 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 344 | 2 | 1 | 5 | 3.5 | Cc1nnc2sc(C(=O)N3CC(C4CCCCC4)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.10.053 | ||
| 1506223 | 86303 | 12 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 379 | 3 | 2 | 4 | 4.7 | Cc1nc2sc(C(=O)NCc3ccc(Cl)cc3)c(N)c2c(C)c1Cl | 10.1016/j.bmcl.2012.10.073 | ||
| CHEMBL2313396 | 86303 | 12 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 379 | 3 | 2 | 4 | 4.7 | Cc1nc2sc(C(=O)NCc3ccc(Cl)cc3)c(N)c2c(C)c1Cl | 10.1016/j.bmcl.2012.10.073 | ||
| 89777355 | 164598 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 344 | 2 | 1 | 5 | 3.5 | Cc1nnc2sc(C(=O)N3CC(C4CCCCC4)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.10.053 | ||
| CHEMBL4216038 | 164598 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 344 | 2 | 1 | 5 | 3.5 | Cc1nnc2sc(C(=O)N3CC(C4CCCCC4)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.10.053 | ||
| 89777147 | 156355 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 382 | 3 | 2 | 7 | 1.5 | Cc1nnc2sc(C(=O)NC3CN(C(=O)c4ccncc4)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.05.014 | ||
| CHEMBL4066301 | 156355 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 382 | 3 | 2 | 7 | 1.5 | Cc1nnc2sc(C(=O)NC3CN(C(=O)c4ccncc4)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.05.014 | ||
| 3652 | 4066 | 79 | None | -8 | 15 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/acsmedchemlett.9b00106 | ||
| 57 | 4066 | 79 | None | -8 | 15 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/acsmedchemlett.9b00106 | ||
| 60809 | 4066 | 79 | None | -8 | 15 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/acsmedchemlett.9b00106 | ||
| CHEMBL21536 | 4066 | 79 | None | -8 | 15 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/acsmedchemlett.9b00106 | ||
| DB15357 | 4066 | 79 | None | -8 | 15 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/acsmedchemlett.9b00106 | ||
| 135154300 | 163938 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 461 | 6 | 1 | 8 | 2.9 | Cc1cc(C(=O)NCc2ccncc2)nnc1N1CCC(Oc2ccc3c(c2)OCCO3)CC1 | 10.1021/acsmedchemlett.8b00330 | ||
| CHEMBL4207853 | 163938 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 461 | 6 | 1 | 8 | 2.9 | Cc1cc(C(=O)NCc2ccncc2)nnc1N1CCC(Oc2ccc3c(c2)OCCO3)CC1 | 10.1021/acsmedchemlett.8b00330 | ||
| 135171475 | 163957 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 383 | 4 | 2 | 7 | 1.4 | COc1ccc(OC2CCN(c3nc4[nH]c(=O)[nH]c(=O)c4cc3C)CC2)cn1 | 10.1021/acsmedchemlett.8b00330 | ||
| CHEMBL4208024 | 163957 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 383 | 4 | 2 | 7 | 1.4 | COc1ccc(OC2CCN(c3nc4[nH]c(=O)[nH]c(=O)c4cc3C)CC2)cn1 | 10.1021/acsmedchemlett.8b00330 | ||
| 135171550 | 164146 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 328 | 4 | 1 | 5 | 2.4 | Cc1cc2c(=O)[nH]ncc2nc1N1CCC(OCC2(C)CC2)CC1 | 10.1021/acsmedchemlett.8b00330 | ||
| CHEMBL4210497 | 164146 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 328 | 4 | 1 | 5 | 2.4 | Cc1cc2c(=O)[nH]ncc2nc1N1CCC(OCC2(C)CC2)CC1 | 10.1021/acsmedchemlett.8b00330 | ||
| 137658662 | 159406 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 372 | 3 | 2 | 7 | 2.0 | Cc1nnc2sc(C(=O)NC3CN(c4cccnc4F)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.05.014 | ||
| CHEMBL4101054 | 159406 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 372 | 3 | 2 | 7 | 2.0 | Cc1nnc2sc(C(=O)NC3CN(c4cccnc4F)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.05.014 | ||
| 137635043 | 156006 | 13 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 389 | 3 | 2 | 6 | 2.8 | Cc1nnc2sc(C(=O)NC3CN(c4cccc(F)c4F)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.05.014 | ||
| CHEMBL4062319 | 156006 | 13 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 389 | 3 | 2 | 6 | 2.8 | Cc1nnc2sc(C(=O)NC3CN(c4cccc(F)c4F)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.05.014 | ||
| 155522181 | 170664 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 317 | 3 | 1 | 7 | 2.8 | Cc1nnc2sc3c(NCC4CCCO4)nn(C)c3c2c1C | 10.1016/j.bmcl.2018.12.039 | ||
| CHEMBL4451787 | 170664 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 317 | 3 | 1 | 7 | 2.8 | Cc1nnc2sc3c(NCC4CCCO4)nn(C)c3c2c1C | 10.1016/j.bmcl.2018.12.039 | ||
| 162650513 | 180025 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 483 | 7 | 2 | 10 | 2.0 | COCCOc1nnc2sc(C(=O)NC3CN(c4ncc(C(F)(F)F)cn4)C3)c(N)c2c1C | 10.1016/j.bmcl.2019.05.026 | ||
| CHEMBL4747706 | 180025 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 483 | 7 | 2 | 10 | 2.0 | COCCOc1nnc2sc(C(=O)NC3CN(c4ncc(C(F)(F)F)cn4)C3)c(N)c2c1C | 10.1016/j.bmcl.2019.05.026 | ||
| 1506223 | 86303 | 12 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 379 | 3 | 2 | 4 | 4.7 | Cc1nc2sc(C(=O)NCc3ccc(Cl)cc3)c(N)c2c(C)c1Cl | 10.1016/j.bmcl.2012.10.073 | ||
| CHEMBL2313396 | 86303 | 12 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 379 | 3 | 2 | 4 | 4.7 | Cc1nc2sc(C(=O)NCc3ccc(Cl)cc3)c(N)c2c(C)c1Cl | 10.1016/j.bmcl.2012.10.073 | ||
| 127043636 | 140461 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 358 | 3 | 0 | 6 | 3.9 | Cc1sc2ncnc(N3CCC(Oc4ccc(F)nc4)CC3)c2c1C | 10.1016/j.bmcl.2016.05.010 | ||
| CHEMBL3809693 | 140461 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 358 | 3 | 0 | 6 | 3.9 | Cc1sc2ncnc(N3CCC(Oc4ccc(F)nc4)CC3)c2c1C | 10.1016/j.bmcl.2016.05.010 | ||
| 155540233 | 172881 | 0 | None | -3 | 2 | Rat | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 325 | 2 | 2 | 6 | 3.1 | Nc1c(C(=O)c2ccncc2)sc2nc(O)c3c(c12)CCCC3 | 10.1016/j.bmcl.2016.07.042 | ||
| CHEMBL4516136 | 172881 | 0 | None | -3 | 2 | Rat | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 325 | 2 | 2 | 6 | 3.1 | Nc1c(C(=O)c2ccncc2)sc2nc(O)c3c(c12)CCCC3 | 10.1016/j.bmcl.2016.07.042 | ||
| 89768749 | 159268 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 390 | 3 | 2 | 5 | 3.6 | Cc1nnc2sc(C(=O)NCc3ccc(Br)cc3)c(N)c2c1C | 10.1016/j.bmcl.2017.04.043 | ||
| CHEMBL4099560 | 159268 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 390 | 3 | 2 | 5 | 3.6 | Cc1nnc2sc(C(=O)NCc3ccc(Br)cc3)c(N)c2c1C | 10.1016/j.bmcl.2017.04.043 | ||
| 5204148 | 33965 | 12 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 306 | 3 | 1 | 6 | 2.4 | COc1ccc(C)c2sc(NC(=O)C3=COCCO3)nc12 | 10.1016/j.bmcl.2012.05.109 | ||
| CHEMBL1424504 | 33965 | 12 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 306 | 3 | 1 | 6 | 2.4 | COc1ccc(C)c2sc(NC(=O)C3=COCCO3)nc12 | 10.1016/j.bmcl.2012.05.109 | ||
| 155540233 | 172881 | 0 | None | -3 | 2 | Rat | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 325 | 2 | 2 | 6 | 3.1 | Nc1c(C(=O)c2ccncc2)sc2nc(O)c3c(c12)CCCC3 | 10.1016/j.bmcl.2016.07.042 | ||
| CHEMBL4516136 | 172881 | 0 | None | -3 | 2 | Rat | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 325 | 2 | 2 | 6 | 3.1 | Nc1c(C(=O)c2ccncc2)sc2nc(O)c3c(c12)CCCC3 | 10.1016/j.bmcl.2016.07.042 | ||
| 45142487 | 25919 | 0 | None | - | 1 | Rat | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 440 | 6 | 2 | 6 | 4.4 | Cc1cc(OCc2ccncc2)nc2sc(C(=O)NCc3cc(F)ccc3F)c(N)c12 | nan | ||
| CHEMBL1354105 | 25919 | 0 | None | - | 1 | Rat | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 440 | 6 | 2 | 6 | 4.4 | Cc1cc(OCc2ccncc2)nc2sc(C(=O)NCc3cc(F)ccc3F)c(N)c12 | nan | ||
| 156017839 | 177836 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 386 | 4 | 1 | 7 | 2.0 | COc1cc(N2CC(NC(=O)c3cnc4nc(C)c(C)n4c3)C2)c(Cl)cn1 | 10.1016/j.bmcl.2019.126812 | ||
| CHEMBL4644300 | 177836 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 386 | 4 | 1 | 7 | 2.0 | COc1cc(N2CC(NC(=O)c3cnc4nc(C)c(C)n4c3)C2)c(Cl)cn1 | 10.1016/j.bmcl.2019.126812 | ||
| 137649420 | 157497 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 388 | 3 | 2 | 7 | 2.6 | Cc1nnc2sc(C(=O)NC3CN(c4ccnc(Cl)c4)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.05.014 | ||
| CHEMBL4079904 | 157497 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 388 | 3 | 2 | 7 | 2.6 | Cc1nnc2sc(C(=O)NC3CN(c4ccnc(Cl)c4)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.05.014 | ||
| 137640564 | 157019 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 390 | 3 | 2 | 5 | 3.6 | Cc1nnc2sc(C(=O)NCc3cccc(Br)c3)c(N)c2c1C | 10.1016/j.bmcl.2017.04.043 | ||
| CHEMBL4073827 | 157019 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 390 | 3 | 2 | 5 | 3.6 | Cc1nnc2sc(C(=O)NCc3cccc(Br)c3)c(N)c2c1C | 10.1016/j.bmcl.2017.04.043 | ||
| 127043450 | 140371 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 394 | 2 | 0 | 5 | 3.8 | Cc1sc2ncnc(N3CCC(C(=O)N4CCCC(F)(F)C4)CC3)c2c1C | 10.1016/j.bmcl.2016.05.010 | ||
| CHEMBL3808696 | 140371 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 394 | 2 | 0 | 5 | 3.8 | Cc1sc2ncnc(N3CCC(C(=O)N4CCCC(F)(F)C4)CC3)c2c1C | 10.1016/j.bmcl.2016.05.010 | ||
| 89768749 | 159268 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 390 | 3 | 2 | 5 | 3.6 | Cc1nnc2sc(C(=O)NCc3ccc(Br)cc3)c(N)c2c1C | 10.1016/j.bmcl.2017.04.043 | ||
| CHEMBL4099560 | 159268 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 390 | 3 | 2 | 5 | 3.6 | Cc1nnc2sc(C(=O)NCc3ccc(Br)cc3)c(N)c2c1C | 10.1016/j.bmcl.2017.04.043 | ||
| 137635043 | 156006 | 13 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 389 | 3 | 2 | 6 | 2.8 | Cc1nnc2sc(C(=O)NC3CN(c4cccc(F)c4F)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.05.014 | ||
| CHEMBL4062319 | 156006 | 13 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 389 | 3 | 2 | 6 | 2.8 | Cc1nnc2sc(C(=O)NC3CN(c4cccc(F)c4F)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.05.014 | ||
| 44253016 | 80428 | 2 | None | -1 | 4 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 299 | 2 | 1 | 3 | 3.3 | O=c1[nH]c2ccccc2n1C1CCN(C2CCCCC2)CC1 | 10.1021/ml100105x | ||
| CHEMBL2146597 | 80428 | 2 | None | -1 | 4 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 299 | 2 | 1 | 3 | 3.3 | O=c1[nH]c2ccccc2n1C1CCN(C2CCCCC2)CC1 | 10.1021/ml100105x | ||
| 134207681 | 175634 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 483 | 4 | 2 | 8 | 3.4 | Cc1nc2cc(C)c3c(N)c(C(=O)NCc4ccc(S(=O)(=O)C(F)(F)F)cc4)sc3n2n1 | 10.1016/j.bmcl.2019.06.032 | ||
| CHEMBL4581412 | 175634 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 483 | 4 | 2 | 8 | 3.4 | Cc1nc2cc(C)c3c(N)c(C(=O)NCc4ccc(S(=O)(=O)C(F)(F)F)cc4)sc3n2n1 | 10.1016/j.bmcl.2019.06.032 | ||
| 127043450 | 140371 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 394 | 2 | 0 | 5 | 3.8 | Cc1sc2ncnc(N3CCC(C(=O)N4CCCC(F)(F)C4)CC3)c2c1C | 10.1016/j.bmcl.2016.05.010 | ||
| CHEMBL3808696 | 140371 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 394 | 2 | 0 | 5 | 3.8 | Cc1sc2ncnc(N3CCC(C(=O)N4CCCC(F)(F)C4)CC3)c2c1C | 10.1016/j.bmcl.2016.05.010 | ||
| 45142483 | 52604 | 0 | None | - | 1 | Rat | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 392 | 5 | 2 | 7 | 2.4 | Cc1cc(OCCN2CCOCC2)nc2sc(C(=O)NC(C)(C)C)c(N)c12 | nan | ||
| CHEMBL1593296 | 52604 | 0 | None | - | 1 | Rat | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 392 | 5 | 2 | 7 | 2.4 | Cc1cc(OCCN2CCOCC2)nc2sc(C(=O)NC(C)(C)C)c(N)c12 | nan | ||
| 155563393 | 175299 | 0 | None | 1 | 2 | Rat | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 334 | 2 | 1 | 4 | 4.5 | Cc1cc(C)c2c(N)c(C(=O)c3ccc(F)c(Cl)c3)sc2n1 | 10.1016/j.bmcl.2016.07.042 | ||
| CHEMBL4573723 | 175299 | 0 | None | 1 | 2 | Rat | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 334 | 2 | 1 | 4 | 4.5 | Cc1cc(C)c2c(N)c(C(=O)c3ccc(F)c(Cl)c3)sc2n1 | 10.1016/j.bmcl.2016.07.042 | ||
| 155563393 | 175299 | 0 | None | 1 | 2 | Rat | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 334 | 2 | 1 | 4 | 4.5 | Cc1cc(C)c2c(N)c(C(=O)c3ccc(F)c(Cl)c3)sc2n1 | 10.1016/j.bmcl.2016.07.042 | ||
| CHEMBL4573723 | 175299 | 0 | None | 1 | 2 | Rat | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 334 | 2 | 1 | 4 | 4.5 | Cc1cc(C)c2c(N)c(C(=O)c3ccc(F)c(Cl)c3)sc2n1 | 10.1016/j.bmcl.2016.07.042 | ||
| 137647620 | 157574 | 0 | None | 2 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 362 | 3 | 0 | 5 | 4.0 | Cc1ccc(OC2CCN(c3c(C#N)cnc4ccc(F)cc34)CC2)cn1 | 10.1016/j.bmcl.2017.08.043 | ||
| CHEMBL4080878 | 157574 | 0 | None | 2 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 362 | 3 | 0 | 5 | 4.0 | Cc1ccc(OC2CCN(c3c(C#N)cnc4ccc(F)cc34)CC2)cn1 | 10.1016/j.bmcl.2017.08.043 | ||
| 42598828 | 16071 | 0 | None | -158 | 5 | Human | 6.7 | pEC50 | = | 6.7 | 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 | -158 | 5 | Human | 6.7 | pEC50 | = | 6.7 | 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 | ||
| 25230693 | 16093 | 0 | None | -79 | 5 | Human | 6.7 | pEC50 | = | 6.7 | 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 | -79 | 5 | Human | 6.7 | pEC50 | = | 6.7 | 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 | ||
| 16038385 | 80429 | 0 | None | -3 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 301 | 2 | 1 | 4 | 2.1 | O=c1[nH]c2ccccc2n1C1CCN(C2CCOCC2)CC1 | 10.1021/ml100105x | ||
| CHEMBL2146598 | 80429 | 0 | None | -3 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 301 | 2 | 1 | 4 | 2.1 | O=c1[nH]c2ccccc2n1C1CCN(C2CCOCC2)CC1 | 10.1021/ml100105x | ||
| 145978398 | 163935 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 344 | 2 | 1 | 6 | 3.2 | Cc1nnc2sc(C(=O)N3CC(c4cccs4)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.10.053 | ||
| CHEMBL4207811 | 163935 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 344 | 2 | 1 | 6 | 3.2 | Cc1nnc2sc(C(=O)N3CC(c4cccs4)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.10.053 | ||
| 53382534 | 86308 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 311 | 2 | 2 | 5 | 2.3 | Cc1nc2sc(C(=O)NC3COC3)c(N)c2c(C)c1Cl | 10.1016/j.bmcl.2012.10.073 | ||
| CHEMBL2313403 | 86308 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 311 | 2 | 2 | 5 | 2.3 | Cc1nc2sc(C(=O)NC3COC3)c(N)c2c(C)c1Cl | 10.1016/j.bmcl.2012.10.073 | ||
| 155519300 | 170348 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 373 | 4 | 0 | 7 | 3.2 | COc1cccnc1C1CCN(C2CCCN(c3cnsn3)CC2)CC1 | 10.1021/acsmedchemlett.9b00106 | ||
| CHEMBL4447724 | 170348 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 373 | 4 | 0 | 7 | 3.2 | COc1cccnc1C1CCN(C2CCCN(c3cnsn3)CC2)CC1 | 10.1021/acsmedchemlett.9b00106 | ||
| 134207721 | 169786 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 397 | 2 | 2 | 6 | 3.9 | Cc1c(Cl)c2nncn2c2sc(C(=O)N[C@H]3CCc4ccccc43)c(N)c12 | 10.1016/j.bmcl.2019.06.032 | ||
| CHEMBL4439440 | 169786 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 397 | 2 | 2 | 6 | 3.9 | Cc1c(Cl)c2nncn2c2sc(C(=O)N[C@H]3CCc4ccccc43)c(N)c12 | 10.1016/j.bmcl.2019.06.032 | ||
| 162643836 | 181692 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 476 | 3 | 2 | 7 | 3.9 | Cc1c(Cl)nnc2sc(C(=O)NC3CN(c4cc(C(F)(F)F)ncc4Cl)C3)c(N)c12 | 10.1016/j.bmcl.2019.05.026 | ||
| CHEMBL4776981 | 181692 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 476 | 3 | 2 | 7 | 3.9 | Cc1c(Cl)nnc2sc(C(=O)NC3CN(c4cc(C(F)(F)F)ncc4Cl)C3)c(N)c12 | 10.1016/j.bmcl.2019.05.026 | ||
| 162661731 | 181840 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 354 | 3 | 2 | 6 | 2.5 | COc1nnc2sc(C(=O)NC3Cc4ccccc4C3)c(N)c2c1C | 10.1016/j.bmcl.2019.05.026 | ||
| CHEMBL4778766 | 181840 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 354 | 3 | 2 | 6 | 2.5 | COc1nnc2sc(C(=O)NC3Cc4ccccc4C3)c(N)c2c1C | 10.1016/j.bmcl.2019.05.026 | ||
| 162664667 | 182132 | 0 | None | 54 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 374 | 3 | 2 | 7 | 2.2 | Cc1c(Cl)nnc2sc(C(=O)NC3CN(c4cccnc4)C3)c(N)c12 | 10.1016/j.bmcl.2019.05.026 | ||
| CHEMBL4782416 | 182132 | 0 | None | 54 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 374 | 3 | 2 | 7 | 2.2 | Cc1c(Cl)nnc2sc(C(=O)NC3CN(c4cccnc4)C3)c(N)c12 | 10.1016/j.bmcl.2019.05.026 | ||
| 162665586 | 182371 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 338 | 2 | 2 | 5 | 2.8 | Cc1nnc2sc(C(=O)NC3Cc4ccccc4C3)c(N)c2c1C | 10.1016/j.bmcl.2019.05.026 | ||
| CHEMBL4785432 | 182371 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 338 | 2 | 2 | 5 | 2.8 | Cc1nnc2sc(C(=O)NC3Cc4ccccc4C3)c(N)c2c1C | 10.1016/j.bmcl.2019.05.026 | ||
| 135154593 | 163585 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 367 | 3 | 1 | 7 | 1.8 | Cc1cn2c(=O)[nH]nc2nc1N1CCC(Oc2ccc3c(c2)COC3)CC1 | 10.1021/acsmedchemlett.8b00330 | ||
| CHEMBL4203670 | 163585 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 367 | 3 | 1 | 7 | 1.8 | Cc1cn2c(=O)[nH]nc2nc1N1CCC(Oc2ccc3c(c2)COC3)CC1 | 10.1021/acsmedchemlett.8b00330 | ||
| 135150478 | 163893 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 391 | 4 | 2 | 6 | 2.8 | Cc1c(Cl)nc(CO)nc1N1CC[C@@H](Oc2ccc3[nH]ncc3c2)[C@@H](F)C1 | 10.1021/acsmedchemlett.8b00330 | ||
| CHEMBL4207315 | 163893 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 391 | 4 | 2 | 6 | 2.8 | Cc1c(Cl)nc(CO)nc1N1CC[C@@H](Oc2ccc3[nH]ncc3c2)[C@@H](F)C1 | 10.1021/acsmedchemlett.8b00330 | ||
| 135150406 | 164280 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 387 | 4 | 0 | 5 | 2.7 | Cc1cc2c(nc1N1CCC(Oc3ccccc3)CC1)CN(S(C)(=O)=O)C2 | 10.1021/acsmedchemlett.8b00330 | ||
| CHEMBL4212205 | 164280 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 387 | 4 | 0 | 5 | 2.7 | Cc1cc2c(nc1N1CCC(Oc3ccccc3)CC1)CN(S(C)(=O)=O)C2 | 10.1021/acsmedchemlett.8b00330 | ||
| 145978398 | 163935 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 344 | 2 | 1 | 6 | 3.2 | Cc1nnc2sc(C(=O)N3CC(c4cccs4)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.10.053 | ||
| CHEMBL4207811 | 163935 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 344 | 2 | 1 | 6 | 3.2 | Cc1nnc2sc(C(=O)N3CC(c4cccs4)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.10.053 | ||
| 89445258 | 174683 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 272 | 3 | 2 | 4 | 3.6 | Cc1cc(C)c2c(n1)sc1c(NCC3CC3)n[nH]c12 | 10.1016/j.bmcl.2018.12.039 | ||
| CHEMBL4559841 | 174683 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 272 | 3 | 2 | 4 | 3.6 | Cc1cc(C)c2c(n1)sc1c(NCC3CC3)n[nH]c12 | 10.1016/j.bmcl.2018.12.039 | ||
| 134207685 | 170042 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 376 | 2 | 2 | 5 | 4.2 | Cc1cn2c(cc(C)c3c(N)c(C(=O)N[C@H]4CCc5ccccc54)sc32)n1 | 10.1016/j.bmcl.2019.06.032 | ||
| CHEMBL4443127 | 170042 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 376 | 2 | 2 | 5 | 4.2 | Cc1cn2c(cc(C)c3c(N)c(C(=O)N[C@H]4CCc5ccccc54)sc32)n1 | 10.1016/j.bmcl.2019.06.032 | ||
| 9936450 | 35125 | 0 | None | -27 | 2 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 518 | 14 | 0 | 10 | 5.0 | CN1CCC=C(c2nsnc2OCCCCCCCCCOc2nsnc2C2=CCCN(C)C2)C1 | 10.1021/jm0102405 | ||
| CHEMBL143469 | 35125 | 0 | None | -27 | 2 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 518 | 14 | 0 | 10 | 5.0 | CN1CCC=C(c2nsnc2OCCCCCCCCCOc2nsnc2C2=CCCN(C)C2)C1 | 10.1021/jm0102405 | ||
| 53382534 | 86308 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 311 | 2 | 2 | 5 | 2.3 | Cc1nc2sc(C(=O)NC3COC3)c(N)c2c(C)c1Cl | 10.1016/j.bmcl.2012.10.073 | ||
| CHEMBL2313403 | 86308 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 311 | 2 | 2 | 5 | 2.3 | Cc1nc2sc(C(=O)NC3COC3)c(N)c2c(C)c1Cl | 10.1016/j.bmcl.2012.10.073 | ||
| CHEMBL5078186 | 214518 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | None | None | None | Cc1cc(C)c2c(n1)sc1c(N(C)C)nccc12 | 10.1016/j.bmcl.2021.128416 | ||||
| 137642025 | 158109 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 376 | 3 | 0 | 5 | 4.3 | Cc1ccc(OC2CCN(c3c(C#N)cnc4c(C)cc(F)cc34)CC2)cn1 | 10.1016/j.bmcl.2017.08.043 | ||
| CHEMBL4087127 | 158109 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 376 | 3 | 0 | 5 | 4.3 | Cc1ccc(OC2CCN(c3c(C#N)cnc4c(C)cc(F)cc34)CC2)cn1 | 10.1016/j.bmcl.2017.08.043 | ||
| 137642025 | 158109 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 376 | 3 | 0 | 5 | 4.3 | Cc1ccc(OC2CCN(c3c(C#N)cnc4c(C)cc(F)cc34)CC2)cn1 | 10.1016/j.bmcl.2017.08.043 | ||
| CHEMBL4087127 | 158109 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 376 | 3 | 0 | 5 | 4.3 | Cc1ccc(OC2CCN(c3c(C#N)cnc4c(C)cc(F)cc34)CC2)cn1 | 10.1016/j.bmcl.2017.08.043 | ||
| 53382508 | 86287 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 346 | 3 | 2 | 5 | 3.5 | Cc1nc2sc(C(=O)NCc3cccnc3)c(N)c2c(C)c1Cl | 10.1016/j.bmcl.2012.10.073 | ||
| CHEMBL2313380 | 86287 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 346 | 3 | 2 | 5 | 3.5 | Cc1nc2sc(C(=O)NCc3cccnc3)c(N)c2c(C)c1Cl | 10.1016/j.bmcl.2012.10.073 | ||
| 137632597 | 156301 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 380 | 3 | 0 | 5 | 4.1 | Cc1ccc(OC2CCN(c3c(C#N)cnc4c(F)cc(F)cc34)CC2)cn1 | 10.1016/j.bmcl.2017.08.043 | ||
| CHEMBL4065706 | 156301 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 380 | 3 | 0 | 5 | 4.1 | Cc1ccc(OC2CCN(c3c(C#N)cnc4c(F)cc(F)cc34)CC2)cn1 | 10.1016/j.bmcl.2017.08.043 | ||
| 89768736 | 144264 | 0 | None | -11 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 408 | 5 | 2 | 7 | 2.5 | Cc1nnc2sc(C(=O)NCc3ccc(S(=O)(=O)CF)cc3)c(N)c2c1C | 10.1016/j.bmcl.2016.11.086 | ||
| CHEMBL3905112 | 144264 | 0 | None | -11 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 408 | 5 | 2 | 7 | 2.5 | Cc1nnc2sc(C(=O)NCc3ccc(S(=O)(=O)CF)cc3)c(N)c2c1C | 10.1016/j.bmcl.2016.11.086 | ||
| 53382508 | 86287 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 346 | 3 | 2 | 5 | 3.5 | Cc1nc2sc(C(=O)NCc3cccnc3)c(N)c2c(C)c1Cl | 10.1016/j.bmcl.2012.10.073 | ||
| CHEMBL2313380 | 86287 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 346 | 3 | 2 | 5 | 3.5 | Cc1nc2sc(C(=O)NCc3cccnc3)c(N)c2c(C)c1Cl | 10.1016/j.bmcl.2012.10.073 | ||
| 89768736 | 144264 | 0 | None | 11 | 2 | Rat | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 408 | 5 | 2 | 7 | 2.5 | Cc1nnc2sc(C(=O)NCc3ccc(S(=O)(=O)CF)cc3)c(N)c2c1C | 10.1016/j.bmcl.2016.11.086 | ||
| CHEMBL3905112 | 144264 | 0 | None | 11 | 2 | Rat | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 408 | 5 | 2 | 7 | 2.5 | Cc1nnc2sc(C(=O)NCc3ccc(S(=O)(=O)CF)cc3)c(N)c2c1C | 10.1016/j.bmcl.2016.11.086 | ||
| 89768736 | 144264 | 0 | None | 11 | 2 | Rat | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 408 | 5 | 2 | 7 | 2.5 | Cc1nnc2sc(C(=O)NCc3ccc(S(=O)(=O)CF)cc3)c(N)c2c1C | 10.1016/j.bmcl.2016.11.086 | ||
| CHEMBL3905112 | 144264 | 0 | None | 11 | 2 | Rat | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 408 | 5 | 2 | 7 | 2.5 | Cc1nnc2sc(C(=O)NCc3ccc(S(=O)(=O)CF)cc3)c(N)c2c1C | 10.1016/j.bmcl.2016.11.086 | ||
| 117917124 | 170768 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 359 | 4 | 1 | 5 | 3.7 | COc1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2C)cc1F | 10.1016/j.bmcl.2018.12.039 | ||
| CHEMBL4453085 | 170768 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 359 | 4 | 1 | 5 | 3.7 | COc1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2C)cc1F | 10.1016/j.bmcl.2018.12.039 | ||
| 41358726 | 171767 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 368 | 3 | 1 | 5 | 3.9 | Cc1cc(C)c2c(C)c(C(=O)NCc3ccc4c(c3)OCCO4)sc2n1 | 10.1016/j.bmcl.2018.12.039 | ||
| CHEMBL4467950 | 171767 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 368 | 3 | 1 | 5 | 3.9 | Cc1cc(C)c2c(C)c(C(=O)NCc3ccc4c(c3)OCCO4)sc2n1 | 10.1016/j.bmcl.2018.12.039 | ||
| 134207706 | 174414 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 362 | 2 | 2 | 5 | 3.9 | Cc1cc2nccn2c2sc(C(=O)N[C@H]3CCc4ccccc43)c(N)c12 | 10.1016/j.bmcl.2019.06.032 | ||
| CHEMBL4553231 | 174414 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 362 | 2 | 2 | 5 | 3.9 | Cc1cc2nccn2c2sc(C(=O)N[C@H]3CCc4ccccc43)c(N)c12 | 10.1016/j.bmcl.2019.06.032 | ||
| 137646437 | 157613 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 389 | 4 | 2 | 6 | 3.9 | Cc1nnc2sc(C(=O)NCc3ccc(-c4ccccn4)cc3)c(N)c2c1C | 10.1016/j.bmcl.2017.04.043 | ||
| CHEMBL4081305 | 157613 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 389 | 4 | 2 | 6 | 3.9 | Cc1nnc2sc(C(=O)NCc3ccc(-c4ccccn4)cc3)c(N)c2c1C | 10.1016/j.bmcl.2017.04.043 | ||
| 137641641 | 158294 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 404 | 4 | 2 | 7 | 3.6 | Cc1ncc(-c2ccc(CNC(=O)c3sc4nnc(C)c(C)c4c3N)cc2)cn1 | 10.1016/j.bmcl.2017.04.043 | ||
| CHEMBL4089170 | 158294 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 404 | 4 | 2 | 7 | 3.6 | Cc1ncc(-c2ccc(CNC(=O)c3sc4nnc(C)c(C)c4c3N)cc2)cn1 | 10.1016/j.bmcl.2017.04.043 | ||
| 137656749 | 159586 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 337 | 3 | 0 | 4 | 4.1 | Cc1ccc(OC2CCN(c3ccnc4ccc(F)cc34)CC2)cn1 | 10.1016/j.bmcl.2017.08.043 | ||
| CHEMBL4103287 | 159586 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 337 | 3 | 0 | 4 | 4.1 | Cc1ccc(OC2CCN(c3ccnc4ccc(F)cc34)CC2)cn1 | 10.1016/j.bmcl.2017.08.043 | ||
| 306 | 3430 | 21 | None | 1 | 5 | Human | 6.7 | pEC50 | = | 6.7 | 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 | 1 | 5 | Human | 6.7 | pEC50 | = | 6.7 | 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 | 1 | 5 | Human | 6.7 | pEC50 | = | 6.7 | 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 | 1 | 5 | Human | 6.7 | pEC50 | = | 6.7 | 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 | 1 | 5 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 193 | 2 | 0 | 4 | 0.9 | CO/N=C(/[C@H]1CN2CCC1CC2)\C#N | 10.1016/j.bmcl.2015.08.011 | ||
| 650899 | 54384 | 11 | None | -7 | 5 | Rat | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 319 | 6 | 2 | 4 | 1.6 | CCOC(=O)N1CCC(NCCNC(=O)c2ccccc2)CC1 | nan | ||
| CHEMBL1535797 | 54384 | 11 | None | -7 | 5 | Rat | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 319 | 6 | 2 | 4 | 1.6 | CCOC(=O)N1CCC(NCCNC(=O)c2ccccc2)CC1 | nan | ||
| CHEMBL1609153 | 54384 | 11 | None | -7 | 5 | Rat | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 319 | 6 | 2 | 4 | 1.6 | CCOC(=O)N1CCC(NCCNC(=O)c2ccccc2)CC1 | nan | ||
| 89777237 | 156291 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 396 | 3 | 3 | 6 | 2.5 | Cc1nnc2sc(C(=O)NC3CN(C(=O)Nc4ccccc4)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.05.014 | ||
| CHEMBL4065565 | 156291 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 396 | 3 | 3 | 6 | 2.5 | Cc1nnc2sc(C(=O)NC3CN(C(=O)Nc4ccccc4)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.05.014 | ||
| 89777237 | 156291 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 396 | 3 | 3 | 6 | 2.5 | Cc1nnc2sc(C(=O)NC3CN(C(=O)Nc4ccccc4)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.05.014 | ||
| CHEMBL4065565 | 156291 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 396 | 3 | 3 | 6 | 2.5 | Cc1nnc2sc(C(=O)NC3CN(C(=O)Nc4ccccc4)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.05.014 | ||
| 134207726 | 175050 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 335 | 2 | 2 | 6 | 2.7 | Cc1c(Cl)c2nnc(C)n2c2sc(C(=O)NC3CC3)c(N)c12 | 10.1016/j.bmcl.2019.06.032 | ||
| CHEMBL4568327 | 175050 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 335 | 2 | 2 | 6 | 2.7 | Cc1c(Cl)c2nnc(C)n2c2sc(C(=O)NC3CC3)c(N)c12 | 10.1016/j.bmcl.2019.06.032 | ||
| 135153778 | 164350 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 367 | 4 | 1 | 7 | 2.1 | COc1ccc(OC2CCN(c3nc4cn[nH]c(=O)c4cc3C)CC2)cn1 | 10.1021/acsmedchemlett.8b00330 | ||
| CHEMBL4212929 | 164350 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 367 | 4 | 1 | 7 | 2.1 | COc1ccc(OC2CCN(c3nc4cn[nH]c(=O)c4cc3C)CC2)cn1 | 10.1021/acsmedchemlett.8b00330 | ||
| 89777060 | 157097 | 0 | None | 114 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 397 | 3 | 2 | 7 | 2.5 | Cc1nnc2sc(C(=O)NC3CN(C(=O)Oc4ccccc4)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.05.014 | ||
| CHEMBL4074908 | 157097 | 0 | None | 114 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 397 | 3 | 2 | 7 | 2.5 | Cc1nnc2sc(C(=O)NC3CN(C(=O)Oc4ccccc4)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.05.014 | ||
| 89777160 | 153940 | 0 | None | - | 1 | Rat | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 416 | 5 | 2 | 7 | 2.8 | Cc1nnc2sc(C(=O)NCc3ccc(S(=O)(=O)C4CC4)cc3)c(N)c2c1C | 10.1016/j.bmcl.2016.11.086 | ||
| CHEMBL3983700 | 153940 | 0 | None | - | 1 | Rat | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 416 | 5 | 2 | 7 | 2.8 | Cc1nnc2sc(C(=O)NCc3ccc(S(=O)(=O)C4CC4)cc3)c(N)c2c1C | 10.1016/j.bmcl.2016.11.086 | ||
| 89777160 | 153940 | 0 | None | - | 1 | Rat | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 416 | 5 | 2 | 7 | 2.8 | Cc1nnc2sc(C(=O)NCc3ccc(S(=O)(=O)C4CC4)cc3)c(N)c2c1C | 10.1016/j.bmcl.2016.11.086 | ||
| CHEMBL3983700 | 153940 | 0 | None | - | 1 | Rat | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 416 | 5 | 2 | 7 | 2.8 | Cc1nnc2sc(C(=O)NCc3ccc(S(=O)(=O)C4CC4)cc3)c(N)c2c1C | 10.1016/j.bmcl.2016.11.086 | ||
| 155562860 | 175162 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 364 | 2 | 2 | 7 | 2.1 | Cc1cc2nncn2c2sc(C(=O)NC3Cc4cccnc4C3)c(N)c12 | 10.1016/j.bmcl.2019.06.032 | ||
| CHEMBL4570659 | 175162 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 364 | 2 | 2 | 7 | 2.1 | Cc1cc2nncn2c2sc(C(=O)NC3Cc4cccnc4C3)c(N)c12 | 10.1016/j.bmcl.2019.06.032 | ||
| 162650410 | 180070 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 400 | 3 | 2 | 9 | 1.5 | Cc1c(Cl)nnc2sc(C(=O)NC3CN(c4ncncc4C#N)C3)c(N)c12 | 10.1016/j.bmcl.2019.05.026 | ||
| CHEMBL4748261 | 180070 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 400 | 3 | 2 | 9 | 1.5 | Cc1c(Cl)nnc2sc(C(=O)NC3CN(c4ncncc4C#N)C3)c(N)c12 | 10.1016/j.bmcl.2019.05.026 | ||
| 89445250 | 171143 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 338 | 4 | 2 | 5 | 4.4 | COc1ccc(CNc2n[nH]c3c2sc2nc(C)cc(C)c23)cc1 | 10.1016/j.bmcl.2018.12.039 | ||
| CHEMBL4458842 | 171143 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 338 | 4 | 2 | 5 | 4.4 | COc1ccc(CNc2n[nH]c3c2sc2nc(C)cc(C)c23)cc1 | 10.1016/j.bmcl.2018.12.039 | ||
| 155540893 | 172938 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 373 | 5 | 1 | 5 | 3.9 | CCc1c(C(=O)NCc2ccc(OC)c(F)c2)sc2nnc(C)c(C)c12 | 10.1016/j.bmcl.2018.12.039 | ||
| CHEMBL4517529 | 172938 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 373 | 5 | 1 | 5 | 3.9 | CCc1c(C(=O)NCc2ccc(OC)c(F)c2)sc2nnc(C)c(C)c12 | 10.1016/j.bmcl.2018.12.039 | ||
| 137656749 | 159586 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 337 | 3 | 0 | 4 | 4.1 | Cc1ccc(OC2CCN(c3ccnc4ccc(F)cc34)CC2)cn1 | 10.1016/j.bmcl.2017.08.043 | ||
| CHEMBL4103287 | 159586 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 337 | 3 | 0 | 4 | 4.1 | Cc1ccc(OC2CCN(c3ccnc4ccc(F)cc34)CC2)cn1 | 10.1016/j.bmcl.2017.08.043 | ||
| 137632597 | 156301 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 380 | 3 | 0 | 5 | 4.1 | Cc1ccc(OC2CCN(c3c(C#N)cnc4c(F)cc(F)cc34)CC2)cn1 | 10.1016/j.bmcl.2017.08.043 | ||
| CHEMBL4065706 | 156301 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 380 | 3 | 0 | 5 | 4.1 | Cc1ccc(OC2CCN(c3c(C#N)cnc4c(F)cc(F)cc34)CC2)cn1 | 10.1016/j.bmcl.2017.08.043 | ||
| 1505736 | 86263 | 11 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 337 | 2 | 2 | 4 | 4.2 | Cc1nc2sc(C(=O)NC3CCCCC3)c(N)c2c(C)c1Cl | 10.1016/j.bmcl.2012.10.073 | ||
| CHEMBL2313073 | 86263 | 11 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 337 | 2 | 2 | 4 | 4.2 | Cc1nc2sc(C(=O)NC3CCCCC3)c(N)c2c(C)c1Cl | 10.1016/j.bmcl.2012.10.073 | ||
| 135126266 | 164193 | 0 | None | - | 1 | Rat | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 400 | 3 | 1 | 4 | 4.2 | Cc1cc(C)c2cc(C(=O)NC3CN(c4cc(Cl)nc(Cl)c4)C3)ccc2n1 | 10.1016/j.bmcl.2017.10.016 | ||
| CHEMBL4210986 | 164193 | 0 | None | - | 1 | Rat | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 400 | 3 | 1 | 4 | 4.2 | Cc1cc(C)c2cc(C(=O)NC3CN(c4cc(Cl)nc(Cl)c4)C3)ccc2n1 | 10.1016/j.bmcl.2017.10.016 | ||
| 155544229 | 173348 | 0 | None | -3 | 2 | Rat | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 283 | 2 | 1 | 5 | 3.1 | Cc1cc(C)c2c(N)c(C(=O)c3ccncc3)sc2n1 | 10.1016/j.bmcl.2016.07.042 | ||
| CHEMBL4527640 | 173348 | 0 | None | -3 | 2 | Rat | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 283 | 2 | 1 | 5 | 3.1 | Cc1cc(C)c2c(N)c(C(=O)c3ccncc3)sc2n1 | 10.1016/j.bmcl.2016.07.042 | ||
| 89777224 | 164029 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 357 | 2 | 1 | 6 | 2.6 | Cc1nnc2sc(C(=O)N3CC(F)(c4ccccn4)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.10.053 | ||
| CHEMBL4209023 | 164029 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 357 | 2 | 1 | 6 | 2.6 | Cc1nnc2sc(C(=O)N3CC(F)(c4ccccn4)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.10.053 | ||
| 155544229 | 173348 | 0 | None | -3 | 2 | Rat | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 283 | 2 | 1 | 5 | 3.1 | Cc1cc(C)c2c(N)c(C(=O)c3ccncc3)sc2n1 | 10.1016/j.bmcl.2016.07.042 | ||
| CHEMBL4527640 | 173348 | 0 | None | -3 | 2 | Rat | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 283 | 2 | 1 | 5 | 3.1 | Cc1cc(C)c2c(N)c(C(=O)c3ccncc3)sc2n1 | 10.1016/j.bmcl.2016.07.042 | ||
| 89777224 | 164029 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 357 | 2 | 1 | 6 | 2.6 | Cc1nnc2sc(C(=O)N3CC(F)(c4ccccn4)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.10.053 | ||
| CHEMBL4209023 | 164029 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 357 | 2 | 1 | 6 | 2.6 | Cc1nnc2sc(C(=O)N3CC(F)(c4ccccn4)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.10.053 | ||
| 11536903 | 2382 | 68 | None | 28 | 2 | Rat | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 311 | 3 | 2 | 5 | 2.7 | COc1nc2sc(c(c2c(c1Cl)C)N)C(=O)NC1CC1 | 10.1016/j.bmcl.2017.10.016 | ||
| 3262 | 2382 | 68 | None | 28 | 2 | Rat | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 311 | 3 | 2 | 5 | 2.7 | COc1nc2sc(c(c2c(c1Cl)C)N)C(=O)NC1CC1 | 10.1016/j.bmcl.2017.10.016 | ||
| CHEMBL3770346 | 2382 | 68 | None | 28 | 2 | Rat | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 311 | 3 | 2 | 5 | 2.7 | COc1nc2sc(c(c2c(c1Cl)C)N)C(=O)NC1CC1 | 10.1016/j.bmcl.2017.10.016 | ||
| 3263 | 3994 | 58 | None | 1 | 2 | Rat | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 341 | 4 | 2 | 5 | 3.4 | COc1ccc(cc1)CNC(=O)c1sc2c(c1N)c(C)cc(n2)C | 10.1016/j.bmcl.2017.10.016 | ||
| 864492 | 3994 | 58 | None | 1 | 2 | Rat | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 341 | 4 | 2 | 5 | 3.4 | COc1ccc(cc1)CNC(=O)c1sc2c(c1N)c(C)cc(n2)C | 10.1016/j.bmcl.2017.10.016 | ||
| CHEMBL1978713 | 3994 | 58 | None | 1 | 2 | Rat | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 341 | 4 | 2 | 5 | 3.4 | COc1ccc(cc1)CNC(=O)c1sc2c(c1N)c(C)cc(n2)C | 10.1016/j.bmcl.2017.10.016 | ||
| 12301 | 4016 | 30 | None | 7 | 2 | Rat | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 444 | 4 | 2 | 7 | 3.1 | Cc1c(nnc2c1c(c(s2)C(=O)NCc1ccc(cc1)S(=O)(=O)C(F)(F)F)N)C | 10.1016/j.bmcl.2017.10.016 | ||
| 73774630 | 4016 | 30 | None | 7 | 2 | Rat | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 444 | 4 | 2 | 7 | 3.1 | Cc1c(nnc2c1c(c(s2)C(=O)NCc1ccc(cc1)S(=O)(=O)C(F)(F)F)N)C | 10.1016/j.bmcl.2017.10.016 | ||
| CHEMBL3915634 | 4016 | 30 | None | 7 | 2 | Rat | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 444 | 4 | 2 | 7 | 3.1 | Cc1c(nnc2c1c(c(s2)C(=O)NCc1ccc(cc1)S(=O)(=O)C(F)(F)F)N)C | 10.1016/j.bmcl.2017.10.016 | ||
| 56592910 | 76028 | 1 | None | 5 | 2 | Rat | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 299 | 3 | 1 | 5 | 3.3 | COc1ccc(C)c2sc(NC(=O)c3ccncc3)nc12 | 10.1016/j.bmcl.2017.10.016 | ||
| CHEMBL2057392 | 76028 | 1 | None | 5 | 2 | Rat | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 299 | 3 | 1 | 5 | 3.3 | COc1ccc(C)c2sc(NC(=O)c3ccncc3)nc12 | 10.1016/j.bmcl.2017.10.016 | ||
| 127044078 | 140350 | 0 | None | 1 | 2 | Rat | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 338 | 3 | 0 | 5 | 3.5 | Cc1ccc(OC2CCN(c3ncnc4ccc(F)cc34)CC2)cn1 | 10.1016/j.bmcl.2017.10.016 | ||
| CHEMBL3808485 | 140350 | 0 | None | 1 | 2 | Rat | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 338 | 3 | 0 | 5 | 3.5 | Cc1ccc(OC2CCN(c3ncnc4ccc(F)cc34)CC2)cn1 | 10.1016/j.bmcl.2017.10.016 | ||
| 89777239 | 163929 | 24 | None | 1 | 2 | Rat | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 360 | 4 | 2 | 6 | 3.0 | COc1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1F | 10.1016/j.bmcl.2017.10.016 | ||
| CHEMBL4207737 | 163929 | 24 | None | 1 | 2 | Rat | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 360 | 4 | 2 | 6 | 3.0 | COc1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1F | 10.1016/j.bmcl.2017.10.016 | ||
| CHEMBL5268842 | 163929 | 24 | None | 1 | 2 | Rat | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 360 | 4 | 2 | 6 | 3.0 | COc1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1F | 10.1016/j.bmcl.2017.10.016 | ||
| 135126266 | 164193 | 0 | None | - | 1 | Rat | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 400 | 3 | 1 | 4 | 4.2 | Cc1cc(C)c2cc(C(=O)NC3CN(c4cc(Cl)nc(Cl)c4)C3)ccc2n1 | 10.1016/j.bmcl.2017.10.016 | ||
| CHEMBL4210986 | 164193 | 0 | None | - | 1 | Rat | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 400 | 3 | 1 | 4 | 4.2 | Cc1cc(C)c2cc(C(=O)NC3CN(c4cc(Cl)nc(Cl)c4)C3)ccc2n1 | 10.1016/j.bmcl.2017.10.016 | ||
| 1505736 | 86263 | 11 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 337 | 2 | 2 | 4 | 4.2 | Cc1nc2sc(C(=O)NC3CCCCC3)c(N)c2c(C)c1Cl | 10.1016/j.bmcl.2012.10.073 | ||
| CHEMBL2313073 | 86263 | 11 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 337 | 2 | 2 | 4 | 4.2 | Cc1nc2sc(C(=O)NC3CCCCC3)c(N)c2c(C)c1Cl | 10.1016/j.bmcl.2012.10.073 | ||
| 122191002 | 123586 | 0 | None | -2 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 495 | 5 | 3 | 3 | 4.8 | C/C(=N\c1ccc2c(c1)[C@@H](NC(=O)c1ccc(Br)cc1)[C@H](O)C2)NCc1ccccc1F | 10.1016/j.bmcl.2015.08.011 | ||
| CHEMBL3618445 | 123586 | 0 | None | -2 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 495 | 5 | 3 | 3 | 4.8 | C/C(=N\c1ccc2c(c1)[C@@H](NC(=O)c1ccc(Br)cc1)[C@H](O)C2)NCc1ccccc1F | 10.1016/j.bmcl.2015.08.011 | ||
| 155551015 | 173946 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 379 | 4 | 0 | 6 | 3.1 | COc1cccnc1C1CCN(C2CC3(CCN(c4cnccn4)C3)C2)CC1 | 10.1021/acsmedchemlett.9b00106 | ||
| CHEMBL4541697 | 173946 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 379 | 4 | 0 | 6 | 3.1 | COc1cccnc1C1CCN(C2CC3(CCN(c4cnccn4)C3)C2)CC1 | 10.1021/acsmedchemlett.9b00106 | ||
| 3652 | 4066 | 79 | None | -8 | 15 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1016/j.bmcl.2015.08.011 | ||
| 57 | 4066 | 79 | None | -8 | 15 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1016/j.bmcl.2015.08.011 | ||
| 60809 | 4066 | 79 | None | -8 | 15 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1016/j.bmcl.2015.08.011 | ||
| CHEMBL21536 | 4066 | 79 | None | -8 | 15 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1016/j.bmcl.2015.08.011 | ||
| DB15357 | 4066 | 79 | None | -8 | 15 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1016/j.bmcl.2015.08.011 | ||
| 137650402 | 157139 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 453 | 4 | 2 | 6 | 2.7 | N#Cc1cnc2ccc(F)cc2c1N1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 | 10.1016/j.bmcl.2017.08.043 | ||
| CHEMBL4075391 | 157139 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 453 | 4 | 2 | 6 | 2.7 | N#Cc1cnc2ccc(F)cc2c1N1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 | 10.1016/j.bmcl.2017.08.043 | ||
| 145963804 | 164048 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 368 | 3 | 1 | 6 | 3.1 | COc1ccccc1C1CN(C(=O)c2sc3nnc(C)c(C)c3c2N)C1 | 10.1016/j.bmcl.2017.10.053 | ||
| CHEMBL4209311 | 164048 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 368 | 3 | 1 | 6 | 3.1 | COc1ccccc1C1CN(C(=O)c2sc3nnc(C)c(C)c3c2N)C1 | 10.1016/j.bmcl.2017.10.053 | ||
| 145963804 | 164048 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 368 | 3 | 1 | 6 | 3.1 | COc1ccccc1C1CN(C(=O)c2sc3nnc(C)c(C)c3c2N)C1 | 10.1016/j.bmcl.2017.10.053 | ||
| CHEMBL4209311 | 164048 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 368 | 3 | 1 | 6 | 3.1 | COc1ccccc1C1CN(C(=O)c2sc3nnc(C)c(C)c3c2N)C1 | 10.1016/j.bmcl.2017.10.053 | ||
| 127043637 | 140504 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 381 | 3 | 0 | 6 | 4.3 | Cc1sc2ncnc(N3CCC(Oc4ccc5c(c4)CCO5)CC3)c2c1C | 10.1016/j.bmcl.2016.05.010 | ||
| CHEMBL3810300 | 140504 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 381 | 3 | 0 | 6 | 4.3 | Cc1sc2ncnc(N3CCC(Oc4ccc5c(c4)CCO5)CC3)c2c1C | 10.1016/j.bmcl.2016.05.010 | ||
| 155518790 | 170291 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 361 | 5 | 0 | 5 | 3.1 | CCOC(=O)N1CCC(CN2CCC(c3ncccc3OC)CC2)CC1 | 10.1021/acsmedchemlett.9b00106 | ||
| CHEMBL4446791 | 170291 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 361 | 5 | 0 | 5 | 3.1 | CCOC(=O)N1CCC(CN2CCC(c3ncccc3OC)CC2)CC1 | 10.1021/acsmedchemlett.9b00106 | ||
| 89777060 | 157097 | 0 | None | 114 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 397 | 3 | 2 | 7 | 2.5 | Cc1nnc2sc(C(=O)NC3CN(C(=O)Oc4ccccc4)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.05.014 | ||
| CHEMBL4074908 | 157097 | 0 | None | 114 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 397 | 3 | 2 | 7 | 2.5 | Cc1nnc2sc(C(=O)NC3CN(C(=O)Oc4ccccc4)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.05.014 | ||
| 89777113 | 148978 | 0 | None | - | 1 | Rat | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 444 | 5 | 2 | 7 | 3.0 | Cc1nnc2sc(C(=O)NCc3ccc(S(=O)(=O)C(F)F)c(F)c3)c(N)c2c1C | 10.1016/j.bmcl.2016.11.086 | ||
| CHEMBL3942363 | 148978 | 0 | None | - | 1 | Rat | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 444 | 5 | 2 | 7 | 3.0 | Cc1nnc2sc(C(=O)NCc3ccc(S(=O)(=O)C(F)F)c(F)c3)c(N)c2c1C | 10.1016/j.bmcl.2016.11.086 | ||
| 89777113 | 148978 | 0 | None | - | 1 | Rat | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 444 | 5 | 2 | 7 | 3.0 | Cc1nnc2sc(C(=O)NCc3ccc(S(=O)(=O)C(F)F)c(F)c3)c(N)c2c1C | 10.1016/j.bmcl.2016.11.086 | ||
| CHEMBL3942363 | 148978 | 0 | None | - | 1 | Rat | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 444 | 5 | 2 | 7 | 3.0 | Cc1nnc2sc(C(=O)NCc3ccc(S(=O)(=O)C(F)F)c(F)c3)c(N)c2c1C | 10.1016/j.bmcl.2016.11.086 | ||
| 89777226 | 159453 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 411 | 4 | 2 | 7 | 2.6 | Cc1nnc2sc(C(=O)NC3CN(C(=O)OCc4ccccc4)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.05.014 | ||
| CHEMBL4101598 | 159453 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 411 | 4 | 2 | 7 | 2.6 | Cc1nnc2sc(C(=O)NC3CN(C(=O)OCc4ccccc4)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.05.014 | ||
| 89452445 | 173181 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 320 | 3 | 1 | 5 | 4.3 | Cc1nc2sc3c(NCC4CC4)nn(C)c3c2c(C)c1Cl | 10.1016/j.bmcl.2018.12.039 | ||
| CHEMBL4522777 | 173181 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 320 | 3 | 1 | 5 | 4.3 | Cc1nc2sc3c(NCC4CC4)nn(C)c3c2c(C)c1Cl | 10.1016/j.bmcl.2018.12.039 | ||
| 137641641 | 158294 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 404 | 4 | 2 | 7 | 3.6 | Cc1ncc(-c2ccc(CNC(=O)c3sc4nnc(C)c(C)c4c3N)cc2)cn1 | 10.1016/j.bmcl.2017.04.043 | ||
| CHEMBL4089170 | 158294 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 404 | 4 | 2 | 7 | 3.6 | Cc1ncc(-c2ccc(CNC(=O)c3sc4nnc(C)c(C)c4c3N)cc2)cn1 | 10.1016/j.bmcl.2017.04.043 | ||
| 162664650 | 182079 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 421 | 5 | 2 | 9 | 2.4 | Cc1c(Cl)nnc2sc(C(=O)NC3CN(c4nnc(CC(C)C)o4)C3)c(N)c12 | 10.1016/j.bmcl.2019.05.026 | ||
| CHEMBL4781873 | 182079 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 421 | 5 | 2 | 9 | 2.4 | Cc1c(Cl)nnc2sc(C(=O)NC3CN(c4nnc(CC(C)C)o4)C3)c(N)c12 | 10.1016/j.bmcl.2019.05.026 | ||
| 16371349 | 140431 | 6 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 459 | 5 | 2 | 7 | 2.5 | Cc1sc2ncnc(N3CCC(C(=O)NCc4ccc(S(N)(=O)=O)cc4)CC3)c2c1C | 10.1016/j.bmcl.2016.05.010 | ||
| CHEMBL3809384 | 140431 | 6 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 459 | 5 | 2 | 7 | 2.5 | Cc1sc2ncnc(N3CCC(C(=O)NCc4ccc(S(N)(=O)=O)cc4)CC3)c2c1C | 10.1016/j.bmcl.2016.05.010 | ||
| 127043637 | 140504 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 381 | 3 | 0 | 6 | 4.3 | Cc1sc2ncnc(N3CCC(Oc4ccc5c(c4)CCO5)CC3)c2c1C | 10.1016/j.bmcl.2016.05.010 | ||
| CHEMBL3810300 | 140504 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 381 | 3 | 0 | 6 | 4.3 | Cc1sc2ncnc(N3CCC(Oc4ccc5c(c4)CCO5)CC3)c2c1C | 10.1016/j.bmcl.2016.05.010 | ||
| 137646437 | 157613 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 389 | 4 | 2 | 6 | 3.9 | Cc1nnc2sc(C(=O)NCc3ccc(-c4ccccn4)cc3)c(N)c2c1C | 10.1016/j.bmcl.2017.04.043 | ||
| CHEMBL4081305 | 157613 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 389 | 4 | 2 | 6 | 3.9 | Cc1nnc2sc(C(=O)NCc3ccc(-c4ccccn4)cc3)c(N)c2c1C | 10.1016/j.bmcl.2017.04.043 | ||
| CHEMBL5091043 | 215269 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | None | None | None | Cc1cc(C)c2c(n1)sc1c(NCc3ccc(C(C)(C)O)cc3F)ncnc12 | 10.1016/j.bmcl.2021.128416 | ||||
| CHEMBL5075610 | 214363 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | None | None | None | Cc1cc(C)c2c(n1)sc1c(N3CCCC3)nccc12 | 10.1016/j.bmcl.2021.128416 | ||||
| CHEMBL5083833 | 214862 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | None | None | None | Cc1cc(C)c2c(n1)sc1c(C3CCN(C(=O)C4(C)CC4)CC3)ncnc12 | 10.1016/j.bmcl.2021.128416 | ||||
| 137658427 | 159700 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 467 | 5 | 2 | 8 | 2.5 | Cc1nnc2sc(C(=O)NC3CN(c4ccc(S(=O)(=O)C(F)F)cc4)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.05.014 | ||
| CHEMBL4104561 | 159700 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 467 | 5 | 2 | 8 | 2.5 | Cc1nnc2sc(C(=O)NC3CN(c4ccc(S(=O)(=O)C(F)F)cc4)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.05.014 | ||
| 16371349 | 140431 | 6 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 459 | 5 | 2 | 7 | 2.5 | Cc1sc2ncnc(N3CCC(C(=O)NCc4ccc(S(N)(=O)=O)cc4)CC3)c2c1C | 10.1016/j.bmcl.2016.05.010 | ||
| CHEMBL3809384 | 140431 | 6 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 459 | 5 | 2 | 7 | 2.5 | Cc1sc2ncnc(N3CCC(C(=O)NCc4ccc(S(N)(=O)=O)cc4)CC3)c2c1C | 10.1016/j.bmcl.2016.05.010 | ||
| 56592905 | 76027 | 1 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 299 | 3 | 1 | 5 | 3.3 | COc1ccc(C)c2sc(NC(=O)c3cccnc3)nc12 | 10.1016/j.bmcl.2012.05.109 | ||
| CHEMBL2057391 | 76027 | 1 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 299 | 3 | 1 | 5 | 3.3 | COc1ccc(C)c2sc(NC(=O)c3cccnc3)nc12 | 10.1016/j.bmcl.2012.05.109 | ||
| 122189495 | 123309 | 0 | None | -4 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 445 | 5 | 2 | 3 | 4.7 | C/C(=N\c1ccc2c(c1)[C@@H](NC(=O)c1ccc(C)cc1)[C@H](O)C2)N(C)Cc1ccc(F)cc1 | 10.1016/j.bmcl.2015.08.011 | ||
| CHEMBL3616499 | 123309 | 0 | None | -4 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 445 | 5 | 2 | 3 | 4.7 | C/C(=N\c1ccc2c(c1)[C@@H](NC(=O)c1ccc(C)cc1)[C@H](O)C2)N(C)Cc1ccc(F)cc1 | 10.1016/j.bmcl.2015.08.011 | ||
| 156016660 | 177683 | 0 | None | -1 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 414 | 5 | 2 | 6 | 4.1 | Cc1c2c(ccc3c(NCc4ccc(C(=O)NC5CCCC5)cc4)ncnc32)nn1C | 10.1016/j.bmcl.2019.126811 | ||
| CHEMBL4642156 | 177683 | 0 | None | -1 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 414 | 5 | 2 | 6 | 4.1 | Cc1c2c(ccc3c(NCc4ccc(C(=O)NC5CCCC5)cc4)ncnc32)nn1C | 10.1016/j.bmcl.2019.126811 | ||
| 155563393 | 175299 | 0 | None | -1 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 334 | 2 | 1 | 4 | 4.5 | Cc1cc(C)c2c(N)c(C(=O)c3ccc(F)c(Cl)c3)sc2n1 | 10.1016/j.bmcl.2016.07.042 | ||
| CHEMBL4573723 | 175299 | 0 | None | -1 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 334 | 2 | 1 | 4 | 4.5 | Cc1cc(C)c2c(N)c(C(=O)c3ccc(F)c(Cl)c3)sc2n1 | 10.1016/j.bmcl.2016.07.042 | ||
| 89777356 | 155858 | 0 | None | 72 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 353 | 3 | 2 | 6 | 2.5 | Cc1nnc2sc(C(=O)NC3CN(c4ccccc4)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.05.014 | ||
| CHEMBL4060475 | 155858 | 0 | None | 72 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 353 | 3 | 2 | 6 | 2.5 | Cc1nnc2sc(C(=O)NC3CN(c4ccccc4)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.05.014 | ||
| 155563393 | 175299 | 0 | None | -1 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 334 | 2 | 1 | 4 | 4.5 | Cc1cc(C)c2c(N)c(C(=O)c3ccc(F)c(Cl)c3)sc2n1 | 10.1016/j.bmcl.2016.07.042 | ||
| CHEMBL4573723 | 175299 | 0 | None | -1 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 334 | 2 | 1 | 4 | 4.5 | Cc1cc(C)c2c(N)c(C(=O)c3ccc(F)c(Cl)c3)sc2n1 | 10.1016/j.bmcl.2016.07.042 | ||
| 134207710 | 171398 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 363 | 2 | 2 | 6 | 2.7 | Cc1cc2nccn2c2sc(C(=O)NC3Cc4cccnc4C3)c(N)c12 | 10.1016/j.bmcl.2019.06.032 | ||
| CHEMBL4462813 | 171398 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 363 | 2 | 2 | 6 | 2.7 | Cc1cc2nccn2c2sc(C(=O)NC3Cc4cccnc4C3)c(N)c12 | 10.1016/j.bmcl.2019.06.032 | ||
| 156012527 | 177278 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 358 | 3 | 2 | 6 | 1.4 | Cn1nnc2ccc(C(=O)NC3CN(c4ccc(F)c(F)c4)C3)c(N)c21 | 10.1016/j.bmcl.2019.126811 | ||
| CHEMBL4636668 | 177278 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 358 | 3 | 2 | 6 | 1.4 | Cn1nnc2ccc(C(=O)NC3CN(c4ccc(F)c(F)c4)C3)c(N)c21 | 10.1016/j.bmcl.2019.126811 | ||
| 156014224 | 177233 | 0 | None | 1 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 389 | 3 | 1 | 5 | 3.3 | Cc1nc2ccc(C(=O)NC3CN(c4cc(Cl)ncc4Cl)C3)cn2c1C | 10.1016/j.bmcl.2019.126812 | ||
| CHEMBL4636061 | 177233 | 0 | None | 1 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 389 | 3 | 1 | 5 | 3.3 | Cc1nc2ccc(C(=O)NC3CN(c4cc(Cl)ncc4Cl)C3)cn2c1C | 10.1016/j.bmcl.2019.126812 | ||
| 156011921 | 177375 | 0 | None | -3 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 388 | 3 | 2 | 6 | 2.3 | Cc1c2c(N)c(C(=O)NC3CN(c4ncc(Cl)cc4F)C3)ccc2nn1C | 10.1016/j.bmcl.2019.126811 | ||
| CHEMBL4638291 | 177375 | 0 | None | -3 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 388 | 3 | 2 | 6 | 2.3 | Cc1c2c(N)c(C(=O)NC3CN(c4ncc(Cl)cc4F)C3)ccc2nn1C | 10.1016/j.bmcl.2019.126811 | ||
| 137650402 | 157139 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 453 | 4 | 2 | 6 | 2.7 | N#Cc1cnc2ccc(F)cc2c1N1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 | 10.1016/j.bmcl.2017.08.043 | ||
| CHEMBL4075391 | 157139 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 453 | 4 | 2 | 6 | 2.7 | N#Cc1cnc2ccc(F)cc2c1N1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 | 10.1016/j.bmcl.2017.08.043 | ||
| 53382492 | 86304 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 352 | 3 | 2 | 6 | 3.5 | Cc1nc2sc(C(=O)NCc3nccs3)c(N)c2c(C)c1Cl | 10.1016/j.bmcl.2012.10.073 | ||
| CHEMBL2313397 | 86304 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 352 | 3 | 2 | 6 | 3.5 | Cc1nc2sc(C(=O)NCc3nccs3)c(N)c2c(C)c1Cl | 10.1016/j.bmcl.2012.10.073 | ||
| 89777356 | 155858 | 0 | None | 72 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 353 | 3 | 2 | 6 | 2.5 | Cc1nnc2sc(C(=O)NC3CN(c4ccccc4)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.05.014 | ||
| CHEMBL4060475 | 155858 | 0 | None | 72 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 353 | 3 | 2 | 6 | 2.5 | Cc1nnc2sc(C(=O)NC3CN(c4ccccc4)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.05.014 | ||
| 135153922 | 164632 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 364 | 5 | 1 | 7 | 2.4 | COc1ccc(OC2CCN(c3nc(CO)nc(Cl)c3C)CC2)cn1 | 10.1021/acsmedchemlett.8b00330 | ||
| CHEMBL4216650 | 164632 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 364 | 5 | 1 | 7 | 2.4 | COc1ccc(OC2CCN(c3nc(CO)nc(Cl)c3C)CC2)cn1 | 10.1021/acsmedchemlett.8b00330 | ||
| 155524827 | 170893 | 0 | None | 12 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 367 | 4 | 0 | 6 | 3.1 | COc1cccnc1C1CCN(C2CCCN(c3cnccn3)CC2)CC1 | 10.1021/acsmedchemlett.9b00106 | ||
| CHEMBL4455058 | 170893 | 0 | None | 12 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 367 | 4 | 0 | 6 | 3.1 | COc1cccnc1C1CCN(C2CCCN(c3cnccn3)CC2)CC1 | 10.1021/acsmedchemlett.9b00106 | ||
| 134207724 | 171741 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 495 | 3 | 2 | 8 | 3.8 | Cc1nc2cc(C)c3c(N)c(C(=O)NC4CN(c5cc(C(F)(F)F)ncc5Cl)C4)sc3n2n1 | 10.1016/j.bmcl.2019.06.032 | ||
| CHEMBL4467568 | 171741 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 495 | 3 | 2 | 8 | 3.8 | Cc1nc2cc(C)c3c(N)c(C(=O)NC4CN(c5cc(C(F)(F)F)ncc5Cl)C4)sc3n2n1 | 10.1016/j.bmcl.2019.06.032 | ||
| 89768534 | 151610 | 0 | None | -14 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 426 | 5 | 2 | 7 | 2.8 | Cc1nnc2sc(C(=O)NCc3ccc(S(=O)(=O)C(F)F)cc3)c(N)c2c1C | 10.1016/j.bmcl.2016.11.086 | ||
| CHEMBL3963788 | 151610 | 0 | None | -14 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 426 | 5 | 2 | 7 | 2.8 | Cc1nnc2sc(C(=O)NCc3ccc(S(=O)(=O)C(F)F)cc3)c(N)c2c1C | 10.1016/j.bmcl.2016.11.086 | ||
| 16071018 | 16022 | 20 | None | -56 | 5 | Human | 6.6 | pEC50 | = | 6.6 | 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 | -56 | 5 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 333 | 2 | 1 | 4 | 2.6 | Cc1cc2c(cc1F)[nH]c(=O)n2C1CCN(C2CCOCC2)CC1 | 10.1016/j.bmcl.2010.07.097 | ||
| 155546031 | 173503 | 0 | None | 1 | 2 | Rat | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 359 | 5 | 1 | 6 | 3.9 | COc1ccc(CCC(=O)c2sc3nnc(C)c(C)c3c2N)cc1F | 10.1016/j.bmcl.2016.07.042 | ||
| CHEMBL4531229 | 173503 | 0 | None | 1 | 2 | Rat | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 359 | 5 | 1 | 6 | 3.9 | COc1ccc(CCC(=O)c2sc3nnc(C)c(C)c3c2N)cc1F | 10.1016/j.bmcl.2016.07.042 | ||
| 89768534 | 151610 | 0 | None | -14 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 426 | 5 | 2 | 7 | 2.8 | Cc1nnc2sc(C(=O)NCc3ccc(S(=O)(=O)C(F)F)cc3)c(N)c2c1C | 10.1016/j.bmcl.2016.11.086 | ||
| CHEMBL3963788 | 151610 | 0 | None | -14 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 426 | 5 | 2 | 7 | 2.8 | Cc1nnc2sc(C(=O)NCc3ccc(S(=O)(=O)C(F)F)cc3)c(N)c2c1C | 10.1016/j.bmcl.2016.11.086 | ||
| 53382492 | 86304 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 352 | 3 | 2 | 6 | 3.5 | Cc1nc2sc(C(=O)NCc3nccs3)c(N)c2c(C)c1Cl | 10.1016/j.bmcl.2012.10.073 | ||
| CHEMBL2313397 | 86304 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 352 | 3 | 2 | 6 | 3.5 | Cc1nc2sc(C(=O)NCc3nccs3)c(N)c2c(C)c1Cl | 10.1016/j.bmcl.2012.10.073 | ||
| 155532238 | 171682 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 403 | 5 | 0 | 8 | 3.2 | COc1cccnc1C1CCN(C2CCCN(c3nsnc3OC)CC2)CC1 | 10.1021/acsmedchemlett.9b00106 | ||
| CHEMBL4466730 | 171682 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 403 | 5 | 0 | 8 | 3.2 | COc1cccnc1C1CCN(C2CCCN(c3nsnc3OC)CC2)CC1 | 10.1021/acsmedchemlett.9b00106 | ||
| 44422692 | 11821 | 0 | None | 1 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 174 | 2 | 0 | 2 | 0.5 | CC1COCC(C[N+](C)(C)C)O1 | 10.1016/j.bmc.2006.10.040 | ||
| CHEMBL1182296 | 11821 | 0 | None | 1 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 174 | 2 | 0 | 2 | 0.5 | CC1COCC(C[N+](C)(C)C)O1 | 10.1016/j.bmc.2006.10.040 | ||
| CHEMBL228144 | 11821 | 0 | None | 1 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 174 | 2 | 0 | 2 | 0.5 | CC1COCC(C[N+](C)(C)C)O1 | 10.1016/j.bmc.2006.10.040 | ||
| 44422699 | 11819 | 0 | None | 1 | 2 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 174 | 2 | 0 | 2 | 0.5 | C[C@@H]1COC[C@H](C[N+](C)(C)C)O1 | 10.1016/j.bmc.2006.10.040 | ||
| CHEMBL1182272 | 11819 | 0 | None | 1 | 2 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 174 | 2 | 0 | 2 | 0.5 | C[C@@H]1COC[C@H](C[N+](C)(C)C)O1 | 10.1016/j.bmc.2006.10.040 | ||
| CHEMBL227378 | 11819 | 0 | None | 1 | 2 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 174 | 2 | 0 | 2 | 0.5 | C[C@@H]1COC[C@H](C[N+](C)(C)C)O1 | 10.1016/j.bmc.2006.10.040 | ||
| 155546031 | 173503 | 0 | None | 1 | 2 | Rat | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 359 | 5 | 1 | 6 | 3.9 | COc1ccc(CCC(=O)c2sc3nnc(C)c(C)c3c2N)cc1F | 10.1016/j.bmcl.2016.07.042 | ||
| CHEMBL4531229 | 173503 | 0 | None | 1 | 2 | Rat | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 359 | 5 | 1 | 6 | 3.9 | COc1ccc(CCC(=O)c2sc3nnc(C)c(C)c3c2N)cc1F | 10.1016/j.bmcl.2016.07.042 | ||
| 156020148 | 178034 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 425 | 3 | 1 | 5 | 3.5 | Cc1c2cc(C(=O)NC3CN(c4cc(Cl)ncc4Cl)C3)c(F)c(F)c2nn1C | 10.1016/j.bmcl.2019.126812 | ||
| CHEMBL4647297 | 178034 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 425 | 3 | 1 | 5 | 3.5 | Cc1c2cc(C(=O)NC3CN(c4cc(Cl)ncc4Cl)C3)c(F)c(F)c2nn1C | 10.1016/j.bmcl.2019.126812 | ||
| CHEMBL5085198 | 214933 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | None | None | None | Cc1cc(C)c2c(n1)sc1c(NCc3ccc4c(n3)CCC4)ncnc12 | 10.1016/j.bmcl.2021.128416 | ||||
| 134207711 | 171137 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 414 | 3 | 2 | 7 | 2.7 | Cc1cc2nncn2c2sc(C(=O)NC3CN(c4cccc(F)c4F)C3)c(N)c12 | 10.1016/j.bmcl.2019.06.032 | ||
| CHEMBL4458791 | 171137 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 414 | 3 | 2 | 7 | 2.7 | Cc1cc2nncn2c2sc(C(=O)NC3CN(c4cccc(F)c4F)C3)c(N)c12 | 10.1016/j.bmcl.2019.06.032 | ||
| 89777258 | 156741 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 389 | 4 | 2 | 6 | 3.9 | Cc1nnc2sc(C(=O)NCc3ccc(-c4ccncc4)cc3)c(N)c2c1C | 10.1016/j.bmcl.2017.04.043 | ||
| CHEMBL4070692 | 156741 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 389 | 4 | 2 | 6 | 3.9 | Cc1nnc2sc(C(=O)NCc3ccc(-c4ccncc4)cc3)c(N)c2c1C | 10.1016/j.bmcl.2017.04.043 | ||
| 75203027 | 170324 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 445 | 4 | 3 | 6 | 2.7 | Cc1c[nH]c(=O)c2sc(C(=O)NCc3ccc(S(=O)(=O)C(F)(F)F)cc3)c(N)c12 | 10.1016/j.bmcl.2019.06.032 | ||
| CHEMBL4447294 | 170324 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 445 | 4 | 3 | 6 | 2.7 | Cc1c[nH]c(=O)c2sc(C(=O)NCc3ccc(S(=O)(=O)C(F)(F)F)cc3)c(N)c12 | 10.1016/j.bmcl.2019.06.032 | ||
| CHEMBL5088044 | 215111 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | None | None | None | Cc1cc(C)c2c(n1)oc1c(NC3CC3)ncnc12 | 10.1016/j.bmcl.2021.128416 | ||||
| 89777269 | 158037 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 417 | 4 | 2 | 7 | 1.7 | Cc1nnc2sc(C(=O)NC3CN(S(=O)(=O)c4ccccc4)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.05.014 | ||
| CHEMBL4086111 | 158037 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 417 | 4 | 2 | 7 | 1.7 | Cc1nnc2sc(C(=O)NC3CN(S(=O)(=O)c4ccccc4)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.05.014 | ||
| 89777269 | 158037 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 417 | 4 | 2 | 7 | 1.7 | Cc1nnc2sc(C(=O)NC3CN(S(=O)(=O)c4ccccc4)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.05.014 | ||
| CHEMBL4086111 | 158037 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 417 | 4 | 2 | 7 | 1.7 | Cc1nnc2sc(C(=O)NC3CN(S(=O)(=O)c4ccccc4)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.05.014 | ||
| 53382484 | 86295 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 347 | 3 | 2 | 6 | 2.9 | Cc1nc2sc(C(=O)NCc3ccncn3)c(N)c2c(C)c1Cl | 10.1016/j.bmcl.2012.10.073 | ||
| CHEMBL2313388 | 86295 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 347 | 3 | 2 | 6 | 2.9 | Cc1nc2sc(C(=O)NCc3ccncn3)c(N)c2c(C)c1Cl | 10.1016/j.bmcl.2012.10.073 | ||
| 137645473 | 157572 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 371 | 3 | 2 | 6 | 2.6 | Cc1nnc2sc(C(=O)NC3CN(c4ccccc4F)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.05.014 | ||
| CHEMBL4080834 | 157572 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 371 | 3 | 2 | 6 | 2.6 | Cc1nnc2sc(C(=O)NC3CN(c4ccccc4F)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.05.014 | ||
| 134207712 | 173596 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 462 | 3 | 2 | 9 | 2.6 | Cc1nc2cc(C)c3c(N)c(C(=O)NC4CN(c5ncc(C(F)(F)F)cn5)C4)sc3n2n1 | 10.1016/j.bmcl.2019.06.032 | ||
| CHEMBL4533701 | 173596 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 462 | 3 | 2 | 9 | 2.6 | Cc1nc2cc(C)c3c(N)c(C(=O)NC4CN(c5ncc(C(F)(F)F)cn5)C4)sc3n2n1 | 10.1016/j.bmcl.2019.06.032 | ||
| 134207731 | 175192 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 362 | 2 | 2 | 5 | 3.3 | Cc1cc2nccn2c2sc(C(=O)NC3Cc4ccccc4C3)c(N)c12 | 10.1016/j.bmcl.2019.06.032 | ||
| CHEMBL4571349 | 175192 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 362 | 2 | 2 | 5 | 3.3 | Cc1cc2nccn2c2sc(C(=O)NC3Cc4ccccc4C3)c(N)c12 | 10.1016/j.bmcl.2019.06.032 | ||
| 41528344 | 170262 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 340 | 4 | 1 | 4 | 4.2 | COc1ccc(CNC(=O)c2sc3nc(C)cc(C)c3c2C)cc1 | 10.1016/j.bmcl.2018.12.039 | ||
| CHEMBL4446337 | 170262 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 340 | 4 | 1 | 4 | 4.2 | COc1ccc(CNC(=O)c2sc3nc(C)cc(C)c3c2C)cc1 | 10.1016/j.bmcl.2018.12.039 | ||
| 117916916 | 174388 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 402 | 5 | 1 | 5 | 3.8 | CCc1c(C(=O)NCc2ccc(S(C)(=O)=O)cc2)sc2nc(C)cc(C)c12 | 10.1016/j.bmcl.2018.12.039 | ||
| CHEMBL4552714 | 174388 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 402 | 5 | 1 | 5 | 3.8 | CCc1c(C(=O)NCc2ccc(S(C)(=O)=O)cc2)sc2nc(C)cc(C)c12 | 10.1016/j.bmcl.2018.12.039 | ||
| 53382484 | 86295 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 347 | 3 | 2 | 6 | 2.9 | Cc1nc2sc(C(=O)NCc3ccncn3)c(N)c2c(C)c1Cl | 10.1016/j.bmcl.2012.10.073 | ||
| CHEMBL2313388 | 86295 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 347 | 3 | 2 | 6 | 2.9 | Cc1nc2sc(C(=O)NCc3ccncn3)c(N)c2c(C)c1Cl | 10.1016/j.bmcl.2012.10.073 | ||
| 44251554 | 7029 | 0 | None | -1 | 4 | Rat | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 317 | 3 | 0 | 4 | 2.8 | Cn1cc(-c2ccc(CN3C(=O)C(=O)c4ccccc43)cc2)cn1 | nan | ||
| CHEMBL1084941 | 7029 | 0 | None | -1 | 4 | Rat | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 317 | 3 | 0 | 4 | 2.8 | Cn1cc(-c2ccc(CN3C(=O)C(=O)c4ccccc43)cc2)cn1 | nan | ||
| 156016190 | 177675 | 0 | None | -1 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 413 | 3 | 1 | 7 | 3.8 | Cc1c2c(ccc3c(NC4CN(c5cc(Cl)ncc5Cl)C4)ncnc32)nn1C | 10.1016/j.bmcl.2019.126811 | ||
| CHEMBL4642055 | 177675 | 0 | None | -1 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 413 | 3 | 1 | 7 | 3.8 | Cc1c2c(ccc3c(NC4CN(c5cc(Cl)ncc5Cl)C4)ncnc32)nn1C | 10.1016/j.bmcl.2019.126811 | ||
| CHEMBL5086238 | 214993 | 2 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | None | None | None | Cc1cc(C)c2c(n1)sc1c(N3CCCC3)ncnc12 | 10.1016/j.bmcl.2021.128416 | ||||
| 137645473 | 157572 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 371 | 3 | 2 | 6 | 2.6 | Cc1nnc2sc(C(=O)NC3CN(c4ccccc4F)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.05.014 | ||
| CHEMBL4080834 | 157572 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 371 | 3 | 2 | 6 | 2.6 | Cc1nnc2sc(C(=O)NC3CN(c4ccccc4F)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.05.014 | ||
| 137656219 | 159017 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 389 | 3 | 2 | 6 | 2.8 | Cc1nnc2sc(C(=O)NC3CN(c4ccc(F)c(F)c4)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.05.014 | ||
| CHEMBL4096833 | 159017 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 389 | 3 | 2 | 6 | 2.8 | Cc1nnc2sc(C(=O)NC3CN(c4ccc(F)c(F)c4)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.05.014 | ||
| 132063677 | 159209 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 371 | 3 | 2 | 6 | 2.6 | Cc1nnc2sc(C(=O)NC3CN(c4ccc(F)cc4)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.05.014 | ||
| CHEMBL4098874 | 159209 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 371 | 3 | 2 | 6 | 2.6 | Cc1nnc2sc(C(=O)NC3CN(c4ccc(F)cc4)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.05.014 | ||
| 24865895 | 95976 | 0 | None | -6 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 174 | 2 | 0 | 2 | 0.5 | C[C@H]1COC[C@@H](C[N+](C)(C)C)O1 | 10.1016/j.bmc.2006.10.040 | ||
| CHEMBL259662 | 95976 | 0 | None | -6 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 174 | 2 | 0 | 2 | 0.5 | C[C@H]1COC[C@@H](C[N+](C)(C)C)O1 | 10.1016/j.bmc.2006.10.040 | ||
| CHEMBL390842 | 95976 | 0 | None | -6 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 174 | 2 | 0 | 2 | 0.5 | C[C@H]1COC[C@@H](C[N+](C)(C)C)O1 | 10.1016/j.bmc.2006.10.040 | ||
| 17413870 | 76032 | 7 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 285 | 3 | 1 | 5 | 3.0 | COc1cccc2sc(NC(=O)c3ccncc3)nc12 | 10.1016/j.bmcl.2012.05.109 | ||
| CHEMBL2057416 | 76032 | 7 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 285 | 3 | 1 | 5 | 3.0 | COc1cccc2sc(NC(=O)c3ccncc3)nc12 | 10.1016/j.bmcl.2012.05.109 | ||
| 132063677 | 159209 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 371 | 3 | 2 | 6 | 2.6 | Cc1nnc2sc(C(=O)NC3CN(c4ccc(F)cc4)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.05.014 | ||
| CHEMBL4098874 | 159209 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 371 | 3 | 2 | 6 | 2.6 | Cc1nnc2sc(C(=O)NC3CN(c4ccc(F)cc4)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.05.014 | ||
| CHEMBL5075538 | 214360 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | None | None | None | Cc1cc(C)c2c(n1)sc1c(C)ncnc12 | 10.1016/j.bmcl.2021.128416 | ||||
| 53382526 | 86277 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 339 | 2 | 2 | 5 | 3.1 | Cc1nc2sc(C(=O)NC3CCOCC3)c(N)c2c(C)c1Cl | 10.1016/j.bmcl.2012.10.073 | ||
| CHEMBL2313370 | 86277 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 339 | 2 | 2 | 5 | 3.1 | Cc1nc2sc(C(=O)NC3CCOCC3)c(N)c2c(C)c1Cl | 10.1016/j.bmcl.2012.10.073 | ||
| 53382526 | 86277 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 339 | 2 | 2 | 5 | 3.1 | Cc1nc2sc(C(=O)NC3CCOCC3)c(N)c2c(C)c1Cl | 10.1016/j.bmcl.2012.10.073 | ||
| CHEMBL2313370 | 86277 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 339 | 2 | 2 | 5 | 3.1 | Cc1nc2sc(C(=O)NC3CCOCC3)c(N)c2c(C)c1Cl | 10.1016/j.bmcl.2012.10.073 | ||
| 71719475 | 87558 | 0 | None | -2 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 397 | 4 | 0 | 4 | 3.1 | CCOC(=O)N1[C@H]2CC[C@@H]1C[C@@H](CN1CC[C@H](N3C(=O)Cc4ccccc43)C1)C2 | 10.1021/ml300372f | ||
| CHEMBL2336059 | 87558 | 0 | None | -2 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 397 | 4 | 0 | 4 | 3.1 | CCOC(=O)N1[C@H]2CC[C@@H]1C[C@@H](CN1CC[C@H](N3C(=O)Cc4ccccc43)C1)C2 | 10.1021/ml300372f | ||
| 137658662 | 159406 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 372 | 3 | 2 | 7 | 2.0 | Cc1nnc2sc(C(=O)NC3CN(c4cccnc4F)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.05.014 | ||
| CHEMBL4101054 | 159406 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 372 | 3 | 2 | 7 | 2.0 | Cc1nnc2sc(C(=O)NC3CN(c4cccnc4F)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.05.014 | ||
| 2551 | 791 | 23 | None | -4 | 13 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0102405 | ||
| 298 | 791 | 23 | None | -4 | 13 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0102405 | ||
| 488 | 791 | 23 | None | -4 | 13 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0102405 | ||
| CHEMBL965 | 791 | 23 | None | -4 | 13 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0102405 | ||
| DB00411 | 791 | 23 | None | -4 | 13 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0102405 | ||
| 89768736 | 144264 | 0 | None | -11 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 408 | 5 | 2 | 7 | 2.5 | Cc1nnc2sc(C(=O)NCc3ccc(S(=O)(=O)CF)cc3)c(N)c2c1C | 10.1016/j.bmcl.2016.11.086 | ||
| CHEMBL3905112 | 144264 | 0 | None | -11 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 408 | 5 | 2 | 7 | 2.5 | Cc1nnc2sc(C(=O)NCc3ccc(S(=O)(=O)CF)cc3)c(N)c2c1C | 10.1016/j.bmcl.2016.11.086 | ||
| 162651426 | 180174 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 340 | 2 | 3 | 6 | 2.2 | Cc1c(O)nnc2sc(C(=O)NC3Cc4ccccc4C3)c(N)c12 | 10.1016/j.bmcl.2019.05.026 | ||
| CHEMBL4749546 | 180174 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 340 | 2 | 3 | 6 | 2.2 | Cc1c(O)nnc2sc(C(=O)NC3Cc4ccccc4C3)c(N)c12 | 10.1016/j.bmcl.2019.05.026 | ||
| CHEMBL5071551 | 214237 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | None | None | None | Cc1cc(C)c2c(n1)sc1c(NCc3ccc(S(C)(=O)=O)cc3)ncnc12 | 10.1016/j.bmcl.2021.128416 | ||||
| 53382497 | 86294 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 347 | 3 | 2 | 6 | 2.9 | Cc1nc2sc(C(=O)NCc3cnccn3)c(N)c2c(C)c1Cl | 10.1016/j.bmcl.2012.10.073 | ||
| CHEMBL2313387 | 86294 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 347 | 3 | 2 | 6 | 2.9 | Cc1nc2sc(C(=O)NCc3cnccn3)c(N)c2c(C)c1Cl | 10.1016/j.bmcl.2012.10.073 | ||
| 155543990 | 173297 | 0 | None | 4 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 402 | 5 | 1 | 7 | 4.0 | Nc1c(C(=O)c2ccncc2)sc2nc(OCc3ccncc3)c3c(c12)CCC3 | 10.1016/j.bmcl.2016.07.042 | ||
| CHEMBL4526419 | 173297 | 0 | None | 4 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 402 | 5 | 1 | 7 | 4.0 | Nc1c(C(=O)c2ccncc2)sc2nc(OCc3ccncc3)c3c(c12)CCC3 | 10.1016/j.bmcl.2016.07.042 | ||
| 89777257 | 159716 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 388 | 4 | 2 | 5 | 4.5 | Cc1nnc2sc(C(=O)NCc3ccc(-c4ccccc4)cc3)c(N)c2c1C | 10.1016/j.bmcl.2017.04.043 | ||
| CHEMBL4104862 | 159716 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 388 | 4 | 2 | 5 | 4.5 | Cc1nnc2sc(C(=O)NCc3ccc(-c4ccccc4)cc3)c(N)c2c1C | 10.1016/j.bmcl.2017.04.043 | ||
| 53382497 | 86294 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 347 | 3 | 2 | 6 | 2.9 | Cc1nc2sc(C(=O)NCc3cnccn3)c(N)c2c(C)c1Cl | 10.1016/j.bmcl.2012.10.073 | ||
| CHEMBL2313387 | 86294 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 347 | 3 | 2 | 6 | 2.9 | Cc1nc2sc(C(=O)NCc3cnccn3)c(N)c2c(C)c1Cl | 10.1016/j.bmcl.2012.10.073 | ||
| 137640924 | 157059 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 358 | 3 | 0 | 5 | 4.2 | Cc1ccc2ncc(C#N)c(N3CCC(Oc4ccc(C)nc4)CC3)c2c1 | 10.1016/j.bmcl.2017.08.043 | ||
| CHEMBL4074322 | 157059 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 358 | 3 | 0 | 5 | 4.2 | Cc1ccc2ncc(C#N)c(N3CCC(Oc4ccc(C)nc4)CC3)c2c1 | 10.1016/j.bmcl.2017.08.043 | ||
| 155538474 | 173230 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 367 | 5 | 0 | 6 | 3.0 | COc1cccnc1C1CCN(CC2CCN(c3cnccn3)CC2)CC1 | 10.1021/acsmedchemlett.9b00106 | ||
| CHEMBL4524686 | 173230 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 367 | 5 | 0 | 6 | 3.0 | COc1cccnc1C1CCN(CC2CCN(c3cnccn3)CC2)CC1 | 10.1021/acsmedchemlett.9b00106 | ||
| 155561780 | 175742 | 0 | None | 1698 | 2 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 406 | 4 | 0 | 5 | 3.5 | CCOC(=O)N1CCC2(CC(N3C[C@@H]4[C@H](c5nccn5-c5ccccc5)[C@@H]4C3)C2)C1 | 10.1021/acsmedchemlett.9b00106 | ||
| CHEMBL4583597 | 175742 | 0 | None | 1698 | 2 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 406 | 4 | 0 | 5 | 3.5 | CCOC(=O)N1CCC2(CC(N3C[C@@H]4[C@H](c5nccn5-c5ccccc5)[C@@H]4C3)C2)C1 | 10.1021/acsmedchemlett.9b00106 | ||
| 137656219 | 159017 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 389 | 3 | 2 | 6 | 2.8 | Cc1nnc2sc(C(=O)NC3CN(c4ccc(F)c(F)c4)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.05.014 | ||
| CHEMBL4096833 | 159017 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 389 | 3 | 2 | 6 | 2.8 | Cc1nnc2sc(C(=O)NC3CN(c4ccc(F)c(F)c4)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.05.014 | ||
| 89777226 | 159453 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 411 | 4 | 2 | 7 | 2.6 | Cc1nnc2sc(C(=O)NC3CN(C(=O)OCc4ccccc4)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.05.014 | ||
| CHEMBL4101598 | 159453 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 411 | 4 | 2 | 7 | 2.6 | Cc1nnc2sc(C(=O)NC3CN(C(=O)OCc4ccccc4)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.05.014 | ||
| 162673538 | 183026 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 442 | 3 | 2 | 7 | 3.6 | Cc1c(Cl)nnc2sc(C(=O)NC3CN(c4cc(Cl)ncc4Cl)C3)c(N)c12 | 10.1016/j.bmcl.2019.05.026 | ||
| CHEMBL4794104 | 183026 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 442 | 3 | 2 | 7 | 3.6 | Cc1c(Cl)nnc2sc(C(=O)NC3CN(c4cc(Cl)ncc4Cl)C3)c(N)c12 | 10.1016/j.bmcl.2019.05.026 | ||
| 89768546 | 148993 | 0 | None | 18 | 3 | Rat | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 438 | 4 | 2 | 5 | 5.5 | Cc1nnc2sc(C(=O)NCc3ccc(S(F)(F)(F)(F)F)cc3)c(N)c2c1C | 10.1016/j.bmcl.2016.11.086 | ||
| CHEMBL3942511 | 148993 | 0 | None | 18 | 3 | Rat | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 438 | 4 | 2 | 5 | 5.5 | Cc1nnc2sc(C(=O)NCc3ccc(S(F)(F)(F)(F)F)cc3)c(N)c2c1C | 10.1016/j.bmcl.2016.11.086 | ||
| 44208359 | 16673 | 0 | None | -23 | 3 | Human | 6.5 | pEC50 | = | 6.5 | 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 | -23 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 501 | 9 | 1 | 5 | 3.5 | COc1ccc(CC(=O)NC2CCN(CCCN3C(=O)CCc4cc(F)c(F)cc43)CC2)cc1OC | 10.1021/jm100697g | ||
| 16757565 | 15248 | 0 | None | -1 | 2 | Rat | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 329 | 3 | 2 | 4 | 3.6 | Cc1cc(C)c2c(N)c(C(=O)NCc3ccc(F)cc3)sc2n1 | 10.1038/nchembio.2007.55 | ||
| CHEMBL1212989 | 15248 | 0 | None | -1 | 2 | Rat | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 329 | 3 | 2 | 4 | 3.6 | Cc1cc(C)c2c(N)c(C(=O)NCc3ccc(F)cc3)sc2n1 | 10.1038/nchembio.2007.55 | ||
| CHEMBL2435356 | 15248 | 0 | None | -1 | 2 | Rat | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 329 | 3 | 2 | 4 | 3.6 | Cc1cc(C)c2c(N)c(C(=O)NCc3ccc(F)cc3)sc2n1 | 10.1038/nchembio.2007.55 | ||
| 134207684 | 174554 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 377 | 2 | 2 | 6 | 3.0 | Cc1cn2c(cc(C)c3c(N)c(C(=O)NC4Cc5cccnc5C4)sc32)n1 | 10.1016/j.bmcl.2019.06.032 | ||
| CHEMBL4556741 | 174554 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 377 | 2 | 2 | 6 | 3.0 | Cc1cn2c(cc(C)c3c(N)c(C(=O)NC4Cc5cccnc5C4)sc32)n1 | 10.1016/j.bmcl.2019.06.032 | ||
| 53382530 | 86292 | 0 | None | - | 1 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 360 | 4 | 2 | 5 | 3.5 | Cc1nc2sc(C(=O)NCCc3cccnc3)c(N)c2c(C)c1Cl | 10.1016/j.bmcl.2012.10.073 | ||
| CHEMBL2313385 | 86292 | 0 | None | - | 1 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 360 | 4 | 2 | 5 | 3.5 | Cc1nc2sc(C(=O)NCCc3cccnc3)c(N)c2c(C)c1Cl | 10.1016/j.bmcl.2012.10.073 | ||
| 137640924 | 157059 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 358 | 3 | 0 | 5 | 4.2 | Cc1ccc2ncc(C#N)c(N3CCC(Oc4ccc(C)nc4)CC3)c2c1 | 10.1016/j.bmcl.2017.08.043 | ||
| CHEMBL4074322 | 157059 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 358 | 3 | 0 | 5 | 4.2 | Cc1ccc2ncc(C#N)c(N3CCC(Oc4ccc(C)nc4)CC3)c2c1 | 10.1016/j.bmcl.2017.08.043 | ||
| 53382515 | 86278 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 311 | 1 | 2 | 4 | 3.7 | Cc1nc2sc(C(=O)NC(C)(C)C)c(N)c2c(C)c1Cl | 10.1016/j.bmcl.2012.10.073 | ||
| CHEMBL2313371 | 86278 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 311 | 1 | 2 | 4 | 3.7 | Cc1nc2sc(C(=O)NC(C)(C)C)c(N)c2c(C)c1Cl | 10.1016/j.bmcl.2012.10.073 | ||
| 135125815 | 164489 | 0 | None | - | 1 | Rat | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 400 | 3 | 1 | 4 | 4.2 | Cc1cc(C)c2cc(C(=O)NC3CN(c4cc(Cl)ncc4Cl)C3)ccc2n1 | 10.1016/j.bmcl.2017.10.016 | ||
| CHEMBL4214738 | 164489 | 0 | None | - | 1 | Rat | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 400 | 3 | 1 | 4 | 4.2 | Cc1cc(C)c2cc(C(=O)NC3CN(c4cc(Cl)ncc4Cl)C3)ccc2n1 | 10.1016/j.bmcl.2017.10.016 | ||
| 156010562 | 177022 | 0 | None | -1 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 389 | 3 | 1 | 5 | 3.2 | Cc1c2cc(C(=O)NC3CN(c4cc(Cl)ncc4Cl)C3)ccc2nn1C | 10.1016/j.bmcl.2019.126811 | ||
| 156010562 | 177022 | 0 | None | -1 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 389 | 3 | 1 | 5 | 3.2 | Cc1c2cc(C(=O)NC3CN(c4cc(Cl)ncc4Cl)C3)ccc2nn1C | 10.1016/j.bmcl.2019.126812 | ||
| CHEMBL4632555 | 177022 | 0 | None | -1 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 389 | 3 | 1 | 5 | 3.2 | Cc1c2cc(C(=O)NC3CN(c4cc(Cl)ncc4Cl)C3)ccc2nn1C | 10.1016/j.bmcl.2019.126811 | ||
| CHEMBL4632555 | 177022 | 0 | None | -1 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 389 | 3 | 1 | 5 | 3.2 | Cc1c2cc(C(=O)NC3CN(c4cc(Cl)ncc4Cl)C3)ccc2nn1C | 10.1016/j.bmcl.2019.126812 | ||
| 53382515 | 86278 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 311 | 1 | 2 | 4 | 3.7 | Cc1nc2sc(C(=O)NC(C)(C)C)c(N)c2c(C)c1Cl | 10.1016/j.bmcl.2012.10.073 | ||
| CHEMBL2313371 | 86278 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 311 | 1 | 2 | 4 | 3.7 | Cc1nc2sc(C(=O)NC(C)(C)C)c(N)c2c(C)c1Cl | 10.1016/j.bmcl.2012.10.073 | ||
| 135125815 | 164489 | 0 | None | - | 1 | Rat | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 400 | 3 | 1 | 4 | 4.2 | Cc1cc(C)c2cc(C(=O)NC3CN(c4cc(Cl)ncc4Cl)C3)ccc2n1 | 10.1016/j.bmcl.2017.10.016 | ||
| CHEMBL4214738 | 164489 | 0 | None | - | 1 | Rat | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 400 | 3 | 1 | 4 | 4.2 | Cc1cc(C)c2cc(C(=O)NC3CN(c4cc(Cl)ncc4Cl)C3)ccc2n1 | 10.1016/j.bmcl.2017.10.016 | ||
| 42599070 | 16046 | 0 | None | -79 | 5 | Human | 7.5 | pEC50 | = | 7.5 | 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 | -79 | 5 | Human | 7.5 | pEC50 | = | 7.5 | 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 | ||
| 134207727 | 174959 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 366 | 4 | 2 | 6 | 3.4 | COc1ccc(CNC(=O)c2sc3c(c(C)cc4nccn43)c2N)cc1 | 10.1016/j.bmcl.2019.06.032 | ||
| CHEMBL4566449 | 174959 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 366 | 4 | 2 | 6 | 3.4 | COc1ccc(CNC(=O)c2sc3c(c(C)cc4nccn43)c2N)cc1 | 10.1016/j.bmcl.2019.06.032 | ||
| 89777449 | 163993 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 336 | 4 | 1 | 5 | 3.2 | CCCCC1(F)CN(C(=O)c2sc3nnc(C)c(C)c3c2N)C1 | 10.1016/j.bmcl.2017.10.053 | ||
| CHEMBL4208486 | 163993 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 336 | 4 | 1 | 5 | 3.2 | CCCCC1(F)CN(C(=O)c2sc3nnc(C)c(C)c3c2N)C1 | 10.1016/j.bmcl.2017.10.053 | ||
| 89777449 | 163993 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 336 | 4 | 1 | 5 | 3.2 | CCCCC1(F)CN(C(=O)c2sc3nnc(C)c(C)c3c2N)C1 | 10.1016/j.bmcl.2017.10.053 | ||
| CHEMBL4208486 | 163993 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 336 | 4 | 1 | 5 | 3.2 | CCCCC1(F)CN(C(=O)c2sc3nnc(C)c(C)c3c2N)C1 | 10.1016/j.bmcl.2017.10.053 | ||
| 137634025 | 156610 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 347 | 3 | 0 | 4 | 4.3 | N#Cc1cnc2ccc(F)cc2c1N1CCC(Oc2ccccc2)CC1 | 10.1016/j.bmcl.2017.08.043 | ||
| CHEMBL4069218 | 156610 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 347 | 3 | 0 | 4 | 4.3 | N#Cc1cnc2ccc(F)cc2c1N1CCC(Oc2ccccc2)CC1 | 10.1016/j.bmcl.2017.08.043 | ||
| 89777257 | 159716 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 388 | 4 | 2 | 5 | 4.5 | Cc1nnc2sc(C(=O)NCc3ccc(-c4ccccc4)cc3)c(N)c2c1C | 10.1016/j.bmcl.2017.04.043 | ||
| CHEMBL4104862 | 159716 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 388 | 4 | 2 | 5 | 4.5 | Cc1nnc2sc(C(=O)NCc3ccc(-c4ccccc4)cc3)c(N)c2c1C | 10.1016/j.bmcl.2017.04.043 | ||
| 137649175 | 157410 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 389 | 3 | 2 | 6 | 2.8 | Cc1nnc2sc(C(=O)NC3CN(c4ccc(F)cc4F)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.05.014 | ||
| CHEMBL4078814 | 157410 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 389 | 3 | 2 | 6 | 2.8 | Cc1nnc2sc(C(=O)NC3CN(c4ccc(F)cc4F)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.05.014 | ||
| 71528088 | 87557 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 387 | 4 | 1 | 5 | 1.6 | CCOC(=O)N1CCC(O)(CN2CC[C@H](N3C(=O)Cc4ccccc43)C2)CC1 | 10.1021/ml300372f | ||
| CHEMBL2336057 | 87557 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 387 | 4 | 1 | 5 | 1.6 | CCOC(=O)N1CCC(O)(CN2CC[C@H](N3C(=O)Cc4ccccc43)C2)CC1 | 10.1021/ml300372f | ||
| 53382502 | 86297 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 347 | 3 | 2 | 6 | 2.9 | Cc1nc2sc(C(=O)NCc3ccnnc3)c(N)c2c(C)c1Cl | 10.1016/j.bmcl.2012.10.073 | ||
| CHEMBL2313390 | 86297 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 347 | 3 | 2 | 6 | 2.9 | Cc1nc2sc(C(=O)NCc3ccnnc3)c(N)c2c(C)c1Cl | 10.1016/j.bmcl.2012.10.073 | ||
| 145976573 | 163652 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 394 | 2 | 1 | 7 | 2.6 | Cc1nnc2sc(C(=O)N3CC4(CCN(c5cccnc5)C4)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.10.053 | ||
| CHEMBL4204671 | 163652 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 394 | 2 | 1 | 7 | 2.6 | Cc1nnc2sc(C(=O)N3CC4(CCN(c5cccnc5)C4)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.10.053 | ||
| 137658427 | 159700 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 467 | 5 | 2 | 8 | 2.5 | Cc1nnc2sc(C(=O)NC3CN(c4ccc(S(=O)(=O)C(F)F)cc4)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.05.014 | ||
| CHEMBL4104561 | 159700 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 467 | 5 | 2 | 8 | 2.5 | Cc1nnc2sc(C(=O)NC3CN(c4ccc(S(=O)(=O)C(F)F)cc4)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.05.014 | ||
| 137634025 | 156610 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 347 | 3 | 0 | 4 | 4.3 | N#Cc1cnc2ccc(F)cc2c1N1CCC(Oc2ccccc2)CC1 | 10.1016/j.bmcl.2017.08.043 | ||
| CHEMBL4069218 | 156610 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 347 | 3 | 0 | 4 | 4.3 | N#Cc1cnc2ccc(F)cc2c1N1CCC(Oc2ccccc2)CC1 | 10.1016/j.bmcl.2017.08.043 | ||
| 53382502 | 86297 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 347 | 3 | 2 | 6 | 2.9 | Cc1nc2sc(C(=O)NCc3ccnnc3)c(N)c2c(C)c1Cl | 10.1016/j.bmcl.2012.10.073 | ||
| CHEMBL2313390 | 86297 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 347 | 3 | 2 | 6 | 2.9 | Cc1nc2sc(C(=O)NCc3ccnnc3)c(N)c2c(C)c1Cl | 10.1016/j.bmcl.2012.10.073 | ||
| CHEMBL5076867 | 214442 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | None | None | None | Cc1cc(C)c2c(n1)sc1c(NCc3ccc(C(C)(C)O)cc3)nccc12 | 10.1016/j.bmcl.2021.128416 | ||||
| 89777179 | 156826 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 354 | 3 | 2 | 7 | 1.9 | Cc1nnc2sc(C(=O)NC3CN(c4cccnc4)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.05.014 | ||
| CHEMBL4071560 | 156826 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 354 | 3 | 2 | 7 | 1.9 | Cc1nnc2sc(C(=O)NC3CN(c4cccnc4)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.05.014 | ||
| 137650247 | 157287 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 355 | 3 | 2 | 8 | 1.3 | Cc1nnc2sc(C(=O)NC3CN(c4ccncn4)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.05.014 | ||
| CHEMBL4077183 | 157287 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 355 | 3 | 2 | 8 | 1.3 | Cc1nnc2sc(C(=O)NC3CN(c4ccncn4)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.05.014 | ||
| 155554015 | 175666 | 0 | None | 1 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 319 | 2 | 1 | 5 | 3.4 | Cc1nnc2sc(C(=O)c3ccc(F)cc3F)c(N)c2c1C | 10.1016/j.bmcl.2016.07.042 | ||
| CHEMBL4581976 | 175666 | 0 | None | 1 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 319 | 2 | 1 | 5 | 3.4 | Cc1nnc2sc(C(=O)c3ccc(F)cc3F)c(N)c2c1C | 10.1016/j.bmcl.2016.07.042 | ||
| 145976835 | 163680 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 368 | 3 | 1 | 6 | 3.1 | COc1ccc(C2CN(C(=O)c3sc4nnc(C)c(C)c4c3N)C2)cc1 | 10.1016/j.bmcl.2017.10.053 | ||
| CHEMBL4204950 | 163680 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 368 | 3 | 1 | 6 | 3.1 | COc1ccc(C2CN(C(=O)c3sc4nnc(C)c(C)c4c3N)C2)cc1 | 10.1016/j.bmcl.2017.10.053 | ||
| 155554015 | 175666 | 0 | None | 1 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 319 | 2 | 1 | 5 | 3.4 | Cc1nnc2sc(C(=O)c3ccc(F)cc3F)c(N)c2c1C | 10.1016/j.bmcl.2016.07.042 | ||
| CHEMBL4581976 | 175666 | 0 | None | 1 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 319 | 2 | 1 | 5 | 3.4 | Cc1nnc2sc(C(=O)c3ccc(F)cc3F)c(N)c2c1C | 10.1016/j.bmcl.2016.07.042 | ||
| 145976835 | 163680 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 368 | 3 | 1 | 6 | 3.1 | COc1ccc(C2CN(C(=O)c3sc4nnc(C)c(C)c4c3N)C2)cc1 | 10.1016/j.bmcl.2017.10.053 | ||
| CHEMBL4204950 | 163680 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 368 | 3 | 1 | 6 | 3.1 | COc1ccc(C2CN(C(=O)c3sc4nnc(C)c(C)c4c3N)C2)cc1 | 10.1016/j.bmcl.2017.10.053 | ||
| 135125818 | 163940 | 0 | None | - | 1 | Rat | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 368 | 3 | 1 | 4 | 3.1 | Cc1cc(C)c2cc(C(=O)NC3CN(c4ccnc(F)c4F)C3)ccc2n1 | 10.1016/j.bmcl.2017.10.016 | ||
| CHEMBL4207861 | 163940 | 0 | None | - | 1 | Rat | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 368 | 3 | 1 | 4 | 3.1 | Cc1cc(C)c2cc(C(=O)NC3CN(c4ccnc(F)c4F)C3)ccc2n1 | 10.1016/j.bmcl.2017.10.016 | ||
| 135125818 | 163940 | 0 | None | - | 1 | Rat | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 368 | 3 | 1 | 4 | 3.1 | Cc1cc(C)c2cc(C(=O)NC3CN(c4ccnc(F)c4F)C3)ccc2n1 | 10.1016/j.bmcl.2017.10.016 | ||
| CHEMBL4207861 | 163940 | 0 | None | - | 1 | Rat | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 368 | 3 | 1 | 4 | 3.1 | Cc1cc(C)c2cc(C(=O)NC3CN(c4ccnc(F)c4F)C3)ccc2n1 | 10.1016/j.bmcl.2017.10.016 | ||
| 89777179 | 156826 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 354 | 3 | 2 | 7 | 1.9 | Cc1nnc2sc(C(=O)NC3CN(c4cccnc4)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.05.014 | ||
| CHEMBL4071560 | 156826 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 354 | 3 | 2 | 7 | 1.9 | Cc1nnc2sc(C(=O)NC3CN(c4cccnc4)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.05.014 | ||
| CHEMBL5075035 | 214333 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | None | None | None | Cc1cc(C)c2c(n1)sc1c(NC3CC(c4ccncc4)C3)ncnc12 | 10.1016/j.bmcl.2021.128416 | ||||
| CHEMBL5085187 | 214931 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | None | None | None | Cc1cc(C)c2c(n1)sc1c(-c3nccs3)ncnc12 | 10.1016/j.bmcl.2021.128416 | ||||
| 155520521 | 170493 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 381 | 4 | 0 | 6 | 3.4 | COc1cccnc1C1CCN(C2CCCN(c3nccnc3C)CC2)CC1 | 10.1021/acsmedchemlett.9b00106 | ||
| CHEMBL4449608 | 170493 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 381 | 4 | 0 | 6 | 3.4 | COc1cccnc1C1CCN(C2CCCN(c3nccnc3C)CC2)CC1 | 10.1021/acsmedchemlett.9b00106 | ||
| 885513 | 173259 | 8 | None | 1 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 298 | 2 | 2 | 5 | 3.4 | Cc1cc(C)c2c(N)c(C(=O)c3ccc(O)cc3)sc2n1 | 10.1016/j.bmcl.2016.07.042 | ||
| CHEMBL4525501 | 173259 | 8 | None | 1 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 298 | 2 | 2 | 5 | 3.4 | Cc1cc(C)c2c(N)c(C(=O)c3ccc(O)cc3)sc2n1 | 10.1016/j.bmcl.2016.07.042 | ||
| 89777238 | 157003 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 394 | 3 | 2 | 8 | 2.7 | Cc1nnc2sc(C(=O)NC3CN(c4nc5ccccc5o4)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.05.014 | ||
| CHEMBL4073549 | 157003 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 394 | 3 | 2 | 8 | 2.7 | Cc1nnc2sc(C(=O)NC3CN(c4nc5ccccc5o4)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.05.014 | ||
| 53382540 | 86289 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 346 | 3 | 2 | 5 | 3.5 | Cc1nc2sc(C(=O)NCc3ccccn3)c(N)c2c(C)c1Cl | 10.1016/j.bmcl.2012.10.073 | ||
| CHEMBL2313382 | 86289 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 346 | 3 | 2 | 5 | 3.5 | Cc1nc2sc(C(=O)NCc3ccccn3)c(N)c2c(C)c1Cl | 10.1016/j.bmcl.2012.10.073 | ||
| 156013434 | 177483 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 354 | 3 | 2 | 6 | 1.6 | Cc1c2c(N)c(C(=O)NC3CN(c4ncccc4F)C3)ccc2nn1C | 10.1016/j.bmcl.2019.126811 | ||
| CHEMBL4639628 | 177483 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 354 | 3 | 2 | 6 | 1.6 | Cc1c2c(N)c(C(=O)NC3CN(c4ncccc4F)C3)ccc2nn1C | 10.1016/j.bmcl.2019.126811 | ||
| 155560153 | 174927 | 0 | None | -3 | 2 | Rat | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 284 | 2 | 1 | 6 | 2.5 | Cc1nnc2sc(C(=O)c3ccncc3)c(N)c2c1C | 10.1016/j.bmcl.2016.07.042 | ||
| CHEMBL4565738 | 174927 | 0 | None | -3 | 2 | Rat | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 284 | 2 | 1 | 6 | 2.5 | Cc1nnc2sc(C(=O)c3ccncc3)c(N)c2c1C | 10.1016/j.bmcl.2016.07.042 | ||
| 122191001 | 123585 | 0 | None | -7 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 495 | 5 | 3 | 3 | 4.8 | C/C(=N\c1ccc2c(c1)[C@@H](NC(=O)c1ccc(Br)cc1)[C@H](O)C2)NCc1cccc(F)c1 | 10.1016/j.bmcl.2015.08.011 | ||
| CHEMBL3618444 | 123585 | 0 | None | -7 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 495 | 5 | 3 | 3 | 4.8 | C/C(=N\c1ccc2c(c1)[C@@H](NC(=O)c1ccc(Br)cc1)[C@H](O)C2)NCc1cccc(F)c1 | 10.1016/j.bmcl.2015.08.011 | ||
| 885513 | 173259 | 8 | None | 1 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 298 | 2 | 2 | 5 | 3.4 | Cc1cc(C)c2c(N)c(C(=O)c3ccc(O)cc3)sc2n1 | 10.1016/j.bmcl.2016.07.042 | ||
| CHEMBL4525501 | 173259 | 8 | None | 1 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 298 | 2 | 2 | 5 | 3.4 | Cc1cc(C)c2c(N)c(C(=O)c3ccc(O)cc3)sc2n1 | 10.1016/j.bmcl.2016.07.042 | ||
| 155520521 | 170493 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 381 | 4 | 0 | 6 | 3.4 | COc1cccnc1C1CCN(C2CCCN(c3nccnc3C)CC2)CC1 | 10.1021/acsmedchemlett.9b00106 | ||
| CHEMBL4449608 | 170493 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 381 | 4 | 0 | 6 | 3.4 | COc1cccnc1C1CCN(C2CCCN(c3nccnc3C)CC2)CC1 | 10.1021/acsmedchemlett.9b00106 | ||
| 155560153 | 174927 | 0 | None | -3 | 2 | Rat | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 284 | 2 | 1 | 6 | 2.5 | Cc1nnc2sc(C(=O)c3ccncc3)c(N)c2c1C | 10.1016/j.bmcl.2016.07.042 | ||
| CHEMBL4565738 | 174927 | 0 | None | -3 | 2 | Rat | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 284 | 2 | 1 | 6 | 2.5 | Cc1nnc2sc(C(=O)c3ccncc3)c(N)c2c1C | 10.1016/j.bmcl.2016.07.042 | ||
| 53382540 | 86289 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 346 | 3 | 2 | 5 | 3.5 | Cc1nc2sc(C(=O)NCc3ccccn3)c(N)c2c(C)c1Cl | 10.1016/j.bmcl.2012.10.073 | ||
| CHEMBL2313382 | 86289 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 346 | 3 | 2 | 5 | 3.5 | Cc1nc2sc(C(=O)NCc3ccccn3)c(N)c2c(C)c1Cl | 10.1016/j.bmcl.2012.10.073 | ||
| CHEMBL5089635 | 215196 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | None | None | None | Cc1cc(C)c2c(n1)sc1c(NC3CCC3)ncnc12 | 10.1016/j.bmcl.2021.128416 | ||||
| 89777258 | 156741 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 389 | 4 | 2 | 6 | 3.9 | Cc1nnc2sc(C(=O)NCc3ccc(-c4ccncc4)cc3)c(N)c2c1C | 10.1016/j.bmcl.2017.04.043 | ||
| CHEMBL4070692 | 156741 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 389 | 4 | 2 | 6 | 3.9 | Cc1nnc2sc(C(=O)NCc3ccc(-c4ccncc4)cc3)c(N)c2c1C | 10.1016/j.bmcl.2017.04.043 | ||
| 156020077 | 178121 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 375 | 3 | 2 | 7 | 1.4 | Cn1nnc2ccc(C(=O)NC3CN(c4ncc(F)cc4Cl)C3)c(N)c21 | 10.1016/j.bmcl.2019.126811 | ||
| CHEMBL4648817 | 178121 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 375 | 3 | 2 | 7 | 1.4 | Cn1nnc2ccc(C(=O)NC3CN(c4ncc(F)cc4Cl)C3)c(N)c21 | 10.1016/j.bmcl.2019.126811 | ||
| 89777192 | 164385 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 294 | 1 | 1 | 5 | 2.1 | Cc1nnc2sc(C(=O)N3CC(C)(F)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.10.053 | ||
| CHEMBL4213420 | 164385 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 294 | 1 | 1 | 5 | 2.1 | Cc1nnc2sc(C(=O)N3CC(C)(F)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.10.053 | ||
| 89777261 | 152876 | 0 | None | -7 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 390 | 4 | 2 | 7 | 2.2 | Cc1nnc2sc(C(=O)NCc3ccc(S(C)(=O)=O)cc3)c(N)c2c1C | 10.1016/j.bmcl.2016.11.086 | ||
| CHEMBL3974708 | 152876 | 0 | None | -7 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 390 | 4 | 2 | 7 | 2.2 | Cc1nnc2sc(C(=O)NCc3ccc(S(C)(=O)=O)cc3)c(N)c2c1C | 10.1016/j.bmcl.2016.11.086 | ||
| 89777192 | 164385 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 294 | 1 | 1 | 5 | 2.1 | Cc1nnc2sc(C(=O)N3CC(C)(F)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.10.053 | ||
| CHEMBL4213420 | 164385 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 294 | 1 | 1 | 5 | 2.1 | Cc1nnc2sc(C(=O)N3CC(C)(F)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.10.053 | ||
| 89777261 | 152876 | 0 | None | -7 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 390 | 4 | 2 | 7 | 2.2 | Cc1nnc2sc(C(=O)NCc3ccc(S(C)(=O)=O)cc3)c(N)c2c1C | 10.1016/j.bmcl.2016.11.086 | ||
| CHEMBL3974708 | 152876 | 0 | None | -7 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 390 | 4 | 2 | 7 | 2.2 | Cc1nnc2sc(C(=O)NCc3ccc(S(C)(=O)=O)cc3)c(N)c2c1C | 10.1016/j.bmcl.2016.11.086 | ||
| 156013280 | 177467 | 0 | None | -2 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 375 | 3 | 2 | 7 | 1.4 | Cn1nnc2ccc(C(=O)NC3CN(c4ncc(Cl)cc4F)C3)c(N)c21 | 10.1016/j.bmcl.2019.126811 | ||
| CHEMBL4639387 | 177467 | 0 | None | -2 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 375 | 3 | 2 | 7 | 1.4 | Cn1nnc2ccc(C(=O)NC3CN(c4ncc(Cl)cc4F)C3)c(N)c21 | 10.1016/j.bmcl.2019.126811 | ||
| 155540233 | 172881 | 0 | None | 3 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 325 | 2 | 2 | 6 | 3.1 | Nc1c(C(=O)c2ccncc2)sc2nc(O)c3c(c12)CCCC3 | 10.1016/j.bmcl.2016.07.042 | ||
| CHEMBL4516136 | 172881 | 0 | None | 3 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 325 | 2 | 2 | 6 | 3.1 | Nc1c(C(=O)c2ccncc2)sc2nc(O)c3c(c12)CCCC3 | 10.1016/j.bmcl.2016.07.042 | ||
| 155522645 | 170753 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 363 | 2 | 2 | 6 | 2.7 | Cc1cc2ncnn2c2sc(C(=O)NC3Cc4ccccc4C3)c(N)c12 | 10.1016/j.bmcl.2019.06.032 | ||
| CHEMBL4452874 | 170753 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 363 | 2 | 2 | 6 | 2.7 | Cc1cc2ncnn2c2sc(C(=O)NC3Cc4ccccc4C3)c(N)c12 | 10.1016/j.bmcl.2019.06.032 | ||
| 137649175 | 157410 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 389 | 3 | 2 | 6 | 2.8 | Cc1nnc2sc(C(=O)NC3CN(c4ccc(F)cc4F)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.05.014 | ||
| CHEMBL4078814 | 157410 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 389 | 3 | 2 | 6 | 2.8 | Cc1nnc2sc(C(=O)NC3CN(c4ccc(F)cc4F)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.05.014 | ||
| 156014638 | 177201 | 0 | None | -1 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 390 | 3 | 1 | 6 | 2.6 | Cc1c2cc(C(=O)NC3CN(c4cc(Cl)ncc4Cl)C3)ncc2nn1C | 10.1016/j.bmcl.2019.126812 | ||
| CHEMBL4635575 | 177201 | 0 | None | -1 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 390 | 3 | 1 | 6 | 2.6 | Cc1c2cc(C(=O)NC3CN(c4cc(Cl)ncc4Cl)C3)ncc2nn1C | 10.1016/j.bmcl.2019.126812 | ||
| 672747 | 172880 | 13 | None | 1 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 316 | 2 | 1 | 4 | 4.4 | Cc1nc2sc(C(=O)c3ccccc3)c(N)c2c(C)c1Cl | 10.1016/j.bmcl.2016.07.042 | ||
| CHEMBL4516088 | 172880 | 13 | None | 1 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 316 | 2 | 1 | 4 | 4.4 | Cc1nc2sc(C(=O)c3ccccc3)c(N)c2c(C)c1Cl | 10.1016/j.bmcl.2016.07.042 | ||
| 672747 | 172880 | 13 | None | 1 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 316 | 2 | 1 | 4 | 4.4 | Cc1nc2sc(C(=O)c3ccccc3)c(N)c2c(C)c1Cl | 10.1016/j.bmcl.2016.07.042 | ||
| CHEMBL4516088 | 172880 | 13 | None | 1 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 316 | 2 | 1 | 4 | 4.4 | Cc1nc2sc(C(=O)c3ccccc3)c(N)c2c(C)c1Cl | 10.1016/j.bmcl.2016.07.042 | ||
| 122191005 | 123588 | 0 | None | -23 | 3 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 509 | 5 | 2 | 3 | 5.2 | C/C(=N\c1ccc2c(c1)[C@@H](NC(=O)c1ccc(Br)cc1)[C@H](O)C2)N(C)Cc1ccc(F)cc1 | 10.1016/j.bmcl.2015.08.011 | ||
| CHEMBL3618447 | 123588 | 0 | None | -23 | 3 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 509 | 5 | 2 | 3 | 5.2 | C/C(=N\c1ccc2c(c1)[C@@H](NC(=O)c1ccc(Br)cc1)[C@H](O)C2)N(C)Cc1ccc(F)cc1 | 10.1016/j.bmcl.2015.08.011 | ||
| 156018661 | 177811 | 0 | None | -1 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 387 | 4 | 2 | 8 | 1.2 | COc1cc(N2CC(NC(=O)c3ccc4nnn(C)c4c3N)C2)c(Cl)cn1 | 10.1016/j.bmcl.2019.126811 | ||
| CHEMBL4644004 | 177811 | 0 | None | -1 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 387 | 4 | 2 | 8 | 1.2 | COc1cc(N2CC(NC(=O)c3ccc4nnn(C)c4c3N)C2)c(Cl)cn1 | 10.1016/j.bmcl.2019.126811 | ||
| 156020827 | 178045 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 390 | 3 | 1 | 6 | 2.6 | Cc1nn(C)c2cnc(C(=O)NC3CN(c4cc(Cl)ncc4Cl)C3)cc12 | 10.1016/j.bmcl.2019.126812 | ||
| CHEMBL4647393 | 178045 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 390 | 3 | 1 | 6 | 2.6 | Cc1nn(C)c2cnc(C(=O)NC3CN(c4cc(Cl)ncc4Cl)C3)cc12 | 10.1016/j.bmcl.2019.126812 | ||
| 156013839 | 177150 | 0 | None | -1 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 409 | 4 | 1 | 8 | 3.2 | COc1cc(N2CC(Nc3ncnc4c3ccc3nn(C)c(C)c34)C2)c(Cl)cn1 | 10.1016/j.bmcl.2019.126811 | ||
| CHEMBL4634770 | 177150 | 0 | None | -1 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 409 | 4 | 1 | 8 | 3.2 | COc1cc(N2CC(Nc3ncnc4c3ccc3nn(C)c(C)c34)C2)c(Cl)cn1 | 10.1016/j.bmcl.2019.126811 | ||
| 137650247 | 157287 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 355 | 3 | 2 | 8 | 1.3 | Cc1nnc2sc(C(=O)NC3CN(c4ccncn4)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.05.014 | ||
| CHEMBL4077183 | 157287 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 355 | 3 | 2 | 8 | 1.3 | Cc1nnc2sc(C(=O)NC3CN(c4ccncn4)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.05.014 | ||
| 137640000 | 156713 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 355 | 3 | 2 | 8 | 1.3 | Cc1nnc2sc(C(=O)NC3CN(c4cncnc4)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.05.014 | ||
| CHEMBL4070423 | 156713 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 355 | 3 | 2 | 8 | 1.3 | Cc1nnc2sc(C(=O)NC3CN(c4cncnc4)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.05.014 | ||
| 155546031 | 173503 | 0 | None | -1 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 359 | 5 | 1 | 6 | 3.9 | COc1ccc(CCC(=O)c2sc3nnc(C)c(C)c3c2N)cc1F | 10.1016/j.bmcl.2016.07.042 | ||
| CHEMBL4531229 | 173503 | 0 | None | -1 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 359 | 5 | 1 | 6 | 3.9 | COc1ccc(CCC(=O)c2sc3nnc(C)c(C)c3c2N)cc1F | 10.1016/j.bmcl.2016.07.042 | ||
| 885513 | 173259 | 8 | None | -1 | 2 | Rat | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 298 | 2 | 2 | 5 | 3.4 | Cc1cc(C)c2c(N)c(C(=O)c3ccc(O)cc3)sc2n1 | 10.1016/j.bmcl.2016.07.042 | ||
| CHEMBL4525501 | 173259 | 8 | None | -1 | 2 | Rat | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 298 | 2 | 2 | 5 | 3.4 | Cc1cc(C)c2c(N)c(C(=O)c3ccc(O)cc3)sc2n1 | 10.1016/j.bmcl.2016.07.042 | ||
| 155554015 | 175666 | 0 | None | -1 | 2 | Rat | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 319 | 2 | 1 | 5 | 3.4 | Cc1nnc2sc(C(=O)c3ccc(F)cc3F)c(N)c2c1C | 10.1016/j.bmcl.2016.07.042 | ||
| CHEMBL4581976 | 175666 | 0 | None | -1 | 2 | Rat | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 319 | 2 | 1 | 5 | 3.4 | Cc1nnc2sc(C(=O)c3ccc(F)cc3F)c(N)c2c1C | 10.1016/j.bmcl.2016.07.042 | ||
| 155546031 | 173503 | 0 | None | -1 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 359 | 5 | 1 | 6 | 3.9 | COc1ccc(CCC(=O)c2sc3nnc(C)c(C)c3c2N)cc1F | 10.1016/j.bmcl.2016.07.042 | ||
| CHEMBL4531229 | 173503 | 0 | None | -1 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 359 | 5 | 1 | 6 | 3.9 | COc1ccc(CCC(=O)c2sc3nnc(C)c(C)c3c2N)cc1F | 10.1016/j.bmcl.2016.07.042 | ||
| 885513 | 173259 | 8 | None | -1 | 2 | Rat | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 298 | 2 | 2 | 5 | 3.4 | Cc1cc(C)c2c(N)c(C(=O)c3ccc(O)cc3)sc2n1 | 10.1016/j.bmcl.2016.07.042 | ||
| CHEMBL4525501 | 173259 | 8 | None | -1 | 2 | Rat | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 298 | 2 | 2 | 5 | 3.4 | Cc1cc(C)c2c(N)c(C(=O)c3ccc(O)cc3)sc2n1 | 10.1016/j.bmcl.2016.07.042 | ||
| 155554015 | 175666 | 0 | None | -1 | 2 | Rat | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 319 | 2 | 1 | 5 | 3.4 | Cc1nnc2sc(C(=O)c3ccc(F)cc3F)c(N)c2c1C | 10.1016/j.bmcl.2016.07.042 | ||
| CHEMBL4581976 | 175666 | 0 | None | -1 | 2 | Rat | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 319 | 2 | 1 | 5 | 3.4 | Cc1nnc2sc(C(=O)c3ccc(F)cc3F)c(N)c2c1C | 10.1016/j.bmcl.2016.07.042 | ||
| 135126273 | 163858 | 0 | None | - | 1 | Rat | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 396 | 4 | 1 | 5 | 3.5 | COc1cc(N2CC(NC(=O)c3ccc4nc(C)cc(C)c4c3)C2)c(Cl)cn1 | 10.1016/j.bmcl.2017.10.016 | ||
| CHEMBL4206946 | 163858 | 0 | None | - | 1 | Rat | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 396 | 4 | 1 | 5 | 3.5 | COc1cc(N2CC(NC(=O)c3ccc4nc(C)cc(C)c4c3)C2)c(Cl)cn1 | 10.1016/j.bmcl.2017.10.016 | ||
| 155546304 | 173516 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 300 | 3 | 2 | 4 | 4.4 | Cc1cc(C)c2c(n1)sc1c(NCC3CCCC3)n[nH]c12 | 10.1016/j.bmcl.2018.12.039 | ||
| CHEMBL4531650 | 173516 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 300 | 3 | 2 | 4 | 4.4 | Cc1cc(C)c2c(n1)sc1c(NCC3CCCC3)n[nH]c12 | 10.1016/j.bmcl.2018.12.039 | ||
| 24979170 | 21337 | 5 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 434 | 3 | 1 | 5 | 5.5 | Cc1sc2ncnc(N3CCC(C(=O)Nc4cc(Cl)ccc4Cl)CC3)c2c1C | 10.1016/j.bmcl.2016.05.010 | ||
| CHEMBL1314270 | 21337 | 5 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 434 | 3 | 1 | 5 | 5.5 | Cc1sc2ncnc(N3CCC(C(=O)Nc4cc(Cl)ccc4Cl)CC3)c2c1C | 10.1016/j.bmcl.2016.05.010 | ||
| 24979170 | 21337 | 5 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 434 | 3 | 1 | 5 | 5.5 | Cc1sc2ncnc(N3CCC(C(=O)Nc4cc(Cl)ccc4Cl)CC3)c2c1C | 10.1016/j.bmcl.2016.05.010 | ||
| CHEMBL1314270 | 21337 | 5 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 434 | 3 | 1 | 5 | 5.5 | Cc1sc2ncnc(N3CCC(C(=O)Nc4cc(Cl)ccc4Cl)CC3)c2c1C | 10.1016/j.bmcl.2016.05.010 | ||
| 135126273 | 163858 | 0 | None | - | 1 | Rat | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 396 | 4 | 1 | 5 | 3.5 | COc1cc(N2CC(NC(=O)c3ccc4nc(C)cc(C)c4c3)C2)c(Cl)cn1 | 10.1016/j.bmcl.2017.10.016 | ||
| CHEMBL4206946 | 163858 | 0 | None | - | 1 | Rat | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 396 | 4 | 1 | 5 | 3.5 | COc1cc(N2CC(NC(=O)c3ccc4nc(C)cc(C)c4c3)C2)c(Cl)cn1 | 10.1016/j.bmcl.2017.10.016 | ||
| 156009502 | 177078 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 385 | 4 | 1 | 6 | 2.6 | COc1cc(N2CC(NC(=O)c3ccc4c(C)n(C)nc4c3)C2)c(Cl)cn1 | 10.1016/j.bmcl.2019.126812 | ||
| CHEMBL4633344 | 177078 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 385 | 4 | 1 | 6 | 2.6 | COc1cc(N2CC(NC(=O)c3ccc4c(C)n(C)nc4c3)C2)c(Cl)cn1 | 10.1016/j.bmcl.2019.126812 | ||
| 30270932 | 140388 | 8 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 409 | 4 | 2 | 6 | 3.3 | Cc1sc2ncnc(N3CCC(C(=O)Nc4ccc(C(N)=O)cc4)CC3)c2c1C | 10.1016/j.bmcl.2016.05.010 | ||
| CHEMBL3808920 | 140388 | 8 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 409 | 4 | 2 | 6 | 3.3 | Cc1sc2ncnc(N3CCC(C(=O)Nc4ccc(C(N)=O)cc4)CC3)c2c1C | 10.1016/j.bmcl.2016.05.010 | ||
| 135126256 | 164547 | 0 | None | - | 1 | Rat | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 401 | 3 | 1 | 5 | 3.3 | Cc1cc(C)c2cc(C(=O)NC3CN(c4ncc(C(F)(F)F)cn4)C3)ccc2n1 | 10.1016/j.bmcl.2017.10.016 | ||
| CHEMBL4215358 | 164547 | 0 | None | - | 1 | Rat | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 401 | 3 | 1 | 5 | 3.3 | Cc1cc(C)c2cc(C(=O)NC3CN(c4ncc(C(F)(F)F)cn4)C3)ccc2n1 | 10.1016/j.bmcl.2017.10.016 | ||
| 42598591 | 16045 | 0 | None | -79 | 5 | Human | 7.4 | pEC50 | = | 7.4 | 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 | -79 | 5 | Human | 7.4 | pEC50 | = | 7.4 | 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 | ||
| 30270932 | 140388 | 8 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 409 | 4 | 2 | 6 | 3.3 | Cc1sc2ncnc(N3CCC(C(=O)Nc4ccc(C(N)=O)cc4)CC3)c2c1C | 10.1016/j.bmcl.2016.05.010 | ||
| CHEMBL3808920 | 140388 | 8 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 409 | 4 | 2 | 6 | 3.3 | Cc1sc2ncnc(N3CCC(C(=O)Nc4ccc(C(N)=O)cc4)CC3)c2c1C | 10.1016/j.bmcl.2016.05.010 | ||
| 11081520 | 118947 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 420 | 7 | 0 | 10 | 2.3 | CN1CCC=C(c2nsnc2OCCOc2nsnc2C2=CCCN(C)C2)C1 | 10.1021/jm0102405 | ||
| CHEMBL342400 | 118947 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 420 | 7 | 0 | 10 | 2.3 | CN1CCC=C(c2nsnc2OCCOc2nsnc2C2=CCCN(C)C2)C1 | 10.1021/jm0102405 | ||
| CHEMBL5094699 | 215489 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | None | None | None | Cc1cc(C)c2c(n1)sc1c(C3CC3)ncnc12 | 10.1016/j.bmcl.2021.128416 | ||||
| 135126256 | 164547 | 0 | None | - | 1 | Rat | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 401 | 3 | 1 | 5 | 3.3 | Cc1cc(C)c2cc(C(=O)NC3CN(c4ncc(C(F)(F)F)cn4)C3)ccc2n1 | 10.1016/j.bmcl.2017.10.016 | ||
| CHEMBL4215358 | 164547 | 0 | None | - | 1 | Rat | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 401 | 3 | 1 | 5 | 3.3 | Cc1cc(C)c2cc(C(=O)NC3CN(c4ncc(C(F)(F)F)cn4)C3)ccc2n1 | 10.1016/j.bmcl.2017.10.016 | ||
| 122191007 | 123590 | 0 | None | -1 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 449 | 5 | 2 | 3 | 4.5 | C/C(=N\c1ccc2c(c1)[C@@H](NC(=O)c1ccc(F)cc1)[C@H](O)C2)N(C)Cc1ccc(F)cc1 | 10.1016/j.bmcl.2015.08.011 | ||
| CHEMBL3618449 | 123590 | 0 | None | -1 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 449 | 5 | 2 | 3 | 4.5 | C/C(=N\c1ccc2c(c1)[C@@H](NC(=O)c1ccc(F)cc1)[C@H](O)C2)N(C)Cc1ccc(F)cc1 | 10.1016/j.bmcl.2015.08.011 | ||
| 122189496 | 123310 | 0 | None | -10 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 499 | 5 | 2 | 3 | 5.4 | C/C(=N\c1ccc2c(c1)[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1)[C@H](O)C2)N(C)Cc1ccc(F)cc1 | 10.1016/j.bmcl.2015.08.011 | ||
| CHEMBL3616500 | 123310 | 0 | None | -10 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 499 | 5 | 2 | 3 | 5.4 | C/C(=N\c1ccc2c(c1)[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1)[C@H](O)C2)N(C)Cc1ccc(F)cc1 | 10.1016/j.bmcl.2015.08.011 | ||
| 145964223 | 164432 | 0 | None | - | 1 | Rat | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 384 | 3 | 1 | 4 | 3.7 | Cc1cc(C)c2cc(C(=O)NC3CN(c4ncc(F)cc4Cl)C3)ccc2n1 | 10.1016/j.bmcl.2017.10.016 | ||
| CHEMBL4214008 | 164432 | 0 | None | - | 1 | Rat | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 384 | 3 | 1 | 4 | 3.7 | Cc1cc(C)c2cc(C(=O)NC3CN(c4ncc(F)cc4Cl)C3)ccc2n1 | 10.1016/j.bmcl.2017.10.016 | ||
| 19571628 | 175357 | 0 | None | -7 | 2 | Rat | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 318 | 2 | 1 | 4 | 4.0 | Cc1cc(C)c2c(N)c(C(=O)c3ccc(F)cc3F)sc2n1 | 10.1016/j.bmcl.2016.07.042 | ||
| CHEMBL4575082 | 175357 | 0 | None | -7 | 2 | Rat | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 318 | 2 | 1 | 4 | 4.0 | Cc1cc(C)c2c(N)c(C(=O)c3ccc(F)cc3F)sc2n1 | 10.1016/j.bmcl.2016.07.042 | ||
| 2551 | 791 | 23 | None | -4 | 13 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/j.bmc.2006.10.040 | ||
| 298 | 791 | 23 | None | -4 | 13 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/j.bmc.2006.10.040 | ||
| 488 | 791 | 23 | None | -4 | 13 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/j.bmc.2006.10.040 | ||
| CHEMBL965 | 791 | 23 | None | -4 | 13 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/j.bmc.2006.10.040 | ||
| DB00411 | 791 | 23 | None | -4 | 13 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/j.bmc.2006.10.040 | ||
| 19571628 | 175357 | 0 | None | -7 | 2 | Rat | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 318 | 2 | 1 | 4 | 4.0 | Cc1cc(C)c2c(N)c(C(=O)c3ccc(F)cc3F)sc2n1 | 10.1016/j.bmcl.2016.07.042 | ||
| CHEMBL4575082 | 175357 | 0 | None | -7 | 2 | Rat | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 318 | 2 | 1 | 4 | 4.0 | Cc1cc(C)c2c(N)c(C(=O)c3ccc(F)cc3F)sc2n1 | 10.1016/j.bmcl.2016.07.042 | ||
| 10952416 | 35120 | 0 | None | 323 | 2 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 578 | 16 | 0 | 10 | 7.2 | CN1CCC=C(c2nsnc2SCCCCCCCCCCCSc2nsnc2C2=CCCN(C)C2)C1 | 10.1021/jm0102405 | ||
| CHEMBL143466 | 35120 | 0 | None | 323 | 2 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 578 | 16 | 0 | 10 | 7.2 | CN1CCC=C(c2nsnc2SCCCCCCCCCCCSc2nsnc2C2=CCCN(C)C2)C1 | 10.1021/jm0102405 | ||
| 87057216 | 172226 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 353 | 4 | 1 | 7 | 3.8 | COc1ccc(CNc2nn(C)c3c2sc2nnc(C)c(C)c23)cc1 | 10.1016/j.bmcl.2018.12.039 | ||
| CHEMBL4474325 | 172226 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 353 | 4 | 1 | 7 | 3.8 | COc1ccc(CNc2nn(C)c3c2sc2nnc(C)c(C)c23)cc1 | 10.1016/j.bmcl.2018.12.039 | ||
| 135409468 | 2022 | 69 | None | -7 | 5 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 312 | 1 | 2 | 4 | 1.7 | Clc1ccc2c(c1)NC(=c1c(=N2)cccc1)N1CCNCC1 | 10.1021/jm100697g | ||
| 333 | 2022 | 69 | None | -7 | 5 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 312 | 1 | 2 | 4 | 1.7 | Clc1ccc2c(c1)NC(=c1c(=N2)cccc1)N1CCNCC1 | 10.1021/jm100697g | ||
| CHEMBL845 | 2022 | 69 | None | -7 | 5 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 312 | 1 | 2 | 4 | 1.7 | Clc1ccc2c(c1)NC(=c1c(=N2)cccc1)N1CCNCC1 | 10.1021/jm100697g | ||
| 154733029 | 3986 | 59 | None | - | 1 | Rat | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 347 | 3 | 2 | 4 | 3.1 | O=C(C1Sc2c(C1N)c(C)cc(n2)C)NCc1ccc(cc1)Cl | 10.1038/nchembio.2007.55 | ||
| 7633 | 3986 | 59 | None | - | 1 | Rat | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 347 | 3 | 2 | 4 | 3.1 | O=C(C1Sc2c(C1N)c(C)cc(n2)C)NCc1ccc(cc1)Cl | 10.1038/nchembio.2007.55 | ||
| CHEMBL1212994 | 3986 | 59 | None | - | 1 | Rat | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 347 | 3 | 2 | 4 | 3.1 | O=C(C1Sc2c(C1N)c(C)cc(n2)C)NCc1ccc(cc1)Cl | 10.1038/nchembio.2007.55 | ||
| 145964223 | 164432 | 0 | None | - | 1 | Rat | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 384 | 3 | 1 | 4 | 3.7 | Cc1cc(C)c2cc(C(=O)NC3CN(c4ncc(F)cc4Cl)C3)ccc2n1 | 10.1016/j.bmcl.2017.10.016 | ||
| CHEMBL4214008 | 164432 | 0 | None | - | 1 | Rat | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 384 | 3 | 1 | 4 | 3.7 | Cc1cc(C)c2cc(C(=O)NC3CN(c4ncc(F)cc4Cl)C3)ccc2n1 | 10.1016/j.bmcl.2017.10.016 | ||
| CHEMBL5085688 | 214958 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | None | None | None | Cc1cc(C)c2c(n1)sc1c(NCc3ccc(OC(F)F)cc3)ncnc12 | 10.1016/j.bmcl.2021.128416 | ||||
| 122191008 | 123591 | 0 | None | -13 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 465 | 5 | 2 | 3 | 5.0 | C/C(=N\c1ccc2c(c1)[C@@H](NC(=O)c1ccc(Cl)cc1)[C@H](O)C2)N(C)Cc1ccc(F)cc1 | 10.1016/j.bmcl.2015.08.011 | ||
| CHEMBL3618450 | 123591 | 0 | None | -13 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 465 | 5 | 2 | 3 | 5.0 | C/C(=N\c1ccc2c(c1)[C@@H](NC(=O)c1ccc(Cl)cc1)[C@H](O)C2)N(C)Cc1ccc(F)cc1 | 10.1016/j.bmcl.2015.08.011 | ||
| 145973064 | 164630 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 356 | 2 | 1 | 5 | 3.3 | Cc1nnc2sc(C(=O)N3CC(c4ccccc4F)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.10.053 | ||
| CHEMBL4216633 | 164630 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 356 | 2 | 1 | 5 | 3.3 | Cc1nnc2sc(C(=O)N3CC(c4ccccc4F)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.10.053 | ||
| 145976573 | 163652 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 394 | 2 | 1 | 7 | 2.6 | Cc1nnc2sc(C(=O)N3CC4(CCN(c5cccnc5)C4)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.10.053 | ||
| CHEMBL4204671 | 163652 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 394 | 2 | 1 | 7 | 2.6 | Cc1nnc2sc(C(=O)N3CC4(CCN(c5cccnc5)C4)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.10.053 | ||
| 145973064 | 164630 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 356 | 2 | 1 | 5 | 3.3 | Cc1nnc2sc(C(=O)N3CC(c4ccccc4F)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.10.053 | ||
| CHEMBL4216633 | 164630 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 356 | 2 | 1 | 5 | 3.3 | Cc1nnc2sc(C(=O)N3CC(c4ccccc4F)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.10.053 | ||
| 137640000 | 156713 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 355 | 3 | 2 | 8 | 1.3 | Cc1nnc2sc(C(=O)NC3CN(c4cncnc4)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.05.014 | ||
| CHEMBL4070423 | 156713 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 355 | 3 | 2 | 8 | 1.3 | Cc1nnc2sc(C(=O)NC3CN(c4cncnc4)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.05.014 | ||
| 134207729 | 174160 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 424 | 4 | 2 | 10 | 2.0 | Cc1nc2cc(C)c3c(N)c(C(=O)NC4CN(c5nnc(C6CC6)o5)C4)sc3n2n1 | 10.1016/j.bmcl.2019.06.032 | ||
| CHEMBL4547561 | 174160 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 424 | 4 | 2 | 10 | 2.0 | Cc1nc2cc(C)c3c(N)c(C(=O)NC4CN(c5nnc(C6CC6)o5)C4)sc3n2n1 | 10.1016/j.bmcl.2019.06.032 | ||
| 16309462 | 26156 | 4 | None | -4 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 445 | 4 | 2 | 7 | 2.8 | Cc1sc2ncnc(N3CCC(C(=O)Nc4ccc(S(N)(=O)=O)cc4)CC3)c2c1C | 10.1016/j.bmcl.2016.05.010 | ||
| CHEMBL1357034 | 26156 | 4 | None | -4 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 445 | 4 | 2 | 7 | 2.8 | Cc1sc2ncnc(N3CCC(C(=O)Nc4ccc(S(N)(=O)=O)cc4)CC3)c2c1C | 10.1016/j.bmcl.2016.05.010 | ||
| 155539719 | 172849 | 0 | None | -3 | 2 | Rat | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 284 | 2 | 1 | 6 | 2.5 | Cc1nnc2sc(C(=O)c3cccnc3)c(N)c2c1C | 10.1016/j.bmcl.2016.07.042 | ||
| CHEMBL4515326 | 172849 | 0 | None | -3 | 2 | Rat | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 284 | 2 | 1 | 6 | 2.5 | Cc1nnc2sc(C(=O)c3cccnc3)c(N)c2c1C | 10.1016/j.bmcl.2016.07.042 | ||
| 155564640 | 175491 | 0 | None | -3 | 2 | Rat | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 317 | 2 | 1 | 5 | 3.8 | Cc1nc2sc(C(=O)c3cccnc3)c(N)c2c(C)c1Cl | 10.1016/j.bmcl.2016.07.042 | ||
| CHEMBL4577985 | 175491 | 0 | None | -3 | 2 | Rat | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 317 | 2 | 1 | 5 | 3.8 | Cc1nc2sc(C(=O)c3cccnc3)c(N)c2c(C)c1Cl | 10.1016/j.bmcl.2016.07.042 | ||
| 89777032 | 163736 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 386 | 3 | 1 | 6 | 3.0 | COC1(c2cccc(F)c2)CN(C(=O)c2sc3nnc(C)c(C)c3c2N)C1 | 10.1016/j.bmcl.2017.10.053 | ||
| CHEMBL4205587 | 163736 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 386 | 3 | 1 | 6 | 3.0 | COC1(c2cccc(F)c2)CN(C(=O)c2sc3nnc(C)c(C)c3c2N)C1 | 10.1016/j.bmcl.2017.10.053 | ||
| 53382513 | 86279 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 327 | 5 | 2 | 5 | 2.9 | COCCCNC(=O)c1sc2nc(C)c(Cl)c(C)c2c1N | 10.1016/j.bmcl.2012.10.073 | ||
| CHEMBL2313372 | 86279 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 327 | 5 | 2 | 5 | 2.9 | COCCCNC(=O)c1sc2nc(C)c(Cl)c(C)c2c1N | 10.1016/j.bmcl.2012.10.073 | ||
| 89777190 | 143010 | 0 | None | - | 1 | Rat | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 390 | 4 | 2 | 7 | 2.2 | Cc1nnc2sc(C(=O)NCc3cccc(S(C)(=O)=O)c3)c(N)c2c1C | 10.1016/j.bmcl.2016.11.086 | ||
| CHEMBL3894866 | 143010 | 0 | None | - | 1 | Rat | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 390 | 4 | 2 | 7 | 2.2 | Cc1nnc2sc(C(=O)NCc3cccc(S(C)(=O)=O)c3)c(N)c2c1C | 10.1016/j.bmcl.2016.11.086 | ||
| 155539719 | 172849 | 0 | None | -3 | 2 | Rat | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 284 | 2 | 1 | 6 | 2.5 | Cc1nnc2sc(C(=O)c3cccnc3)c(N)c2c1C | 10.1016/j.bmcl.2016.07.042 | ||
| CHEMBL4515326 | 172849 | 0 | None | -3 | 2 | Rat | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 284 | 2 | 1 | 6 | 2.5 | Cc1nnc2sc(C(=O)c3cccnc3)c(N)c2c1C | 10.1016/j.bmcl.2016.07.042 | ||
| 155553146 | 174053 | 0 | None | -5 | 2 | Rat | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 424 | 6 | 1 | 8 | 2.7 | Nc1c(C(=O)c2ccncc2)sc2nc(OCCN3CCOCC3)c3c(c12)CCC3 | 10.1016/j.bmcl.2016.07.042 | ||
| CHEMBL4544318 | 174053 | 0 | None | -5 | 2 | Rat | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 424 | 6 | 1 | 8 | 2.7 | Nc1c(C(=O)c2ccncc2)sc2nc(OCCN3CCOCC3)c3c(c12)CCC3 | 10.1016/j.bmcl.2016.07.042 | ||
| 155564640 | 175491 | 0 | None | -3 | 2 | Rat | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 317 | 2 | 1 | 5 | 3.8 | Cc1nc2sc(C(=O)c3cccnc3)c(N)c2c(C)c1Cl | 10.1016/j.bmcl.2016.07.042 | ||
| CHEMBL4577985 | 175491 | 0 | None | -3 | 2 | Rat | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 317 | 2 | 1 | 5 | 3.8 | Cc1nc2sc(C(=O)c3cccnc3)c(N)c2c(C)c1Cl | 10.1016/j.bmcl.2016.07.042 | ||
| 89777032 | 163736 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 386 | 3 | 1 | 6 | 3.0 | COC1(c2cccc(F)c2)CN(C(=O)c2sc3nnc(C)c(C)c3c2N)C1 | 10.1016/j.bmcl.2017.10.053 | ||
| CHEMBL4205587 | 163736 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 386 | 3 | 1 | 6 | 3.0 | COC1(c2cccc(F)c2)CN(C(=O)c2sc3nnc(C)c(C)c3c2N)C1 | 10.1016/j.bmcl.2017.10.053 | ||
| 89777190 | 143010 | 0 | None | - | 1 | Rat | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 390 | 4 | 2 | 7 | 2.2 | Cc1nnc2sc(C(=O)NCc3cccc(S(C)(=O)=O)c3)c(N)c2c1C | 10.1016/j.bmcl.2016.11.086 | ||
| CHEMBL3894866 | 143010 | 0 | None | - | 1 | Rat | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 390 | 4 | 2 | 7 | 2.2 | Cc1nnc2sc(C(=O)NCc3cccc(S(C)(=O)=O)c3)c(N)c2c1C | 10.1016/j.bmcl.2016.11.086 | ||
| 53382513 | 86279 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 327 | 5 | 2 | 5 | 2.9 | COCCCNC(=O)c1sc2nc(C)c(Cl)c(C)c2c1N | 10.1016/j.bmcl.2012.10.073 | ||
| CHEMBL2313372 | 86279 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 327 | 5 | 2 | 5 | 2.9 | COCCCNC(=O)c1sc2nc(C)c(Cl)c(C)c2c1N | 10.1016/j.bmcl.2012.10.073 | ||
| 89777238 | 157003 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 394 | 3 | 2 | 8 | 2.7 | Cc1nnc2sc(C(=O)NC3CN(c4nc5ccccc5o4)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.05.014 | ||
| CHEMBL4073549 | 157003 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 394 | 3 | 2 | 8 | 2.7 | Cc1nnc2sc(C(=O)NC3CN(c4nc5ccccc5o4)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.05.014 | ||
| 156010493 | 177059 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 389 | 3 | 1 | 5 | 3.2 | Cc1c2ccc(C(=O)NC3CN(c4cc(Cl)ncc4Cl)C3)cc2nn1C | 10.1016/j.bmcl.2019.126812 | ||
| CHEMBL4633152 | 177059 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 389 | 3 | 1 | 5 | 3.2 | Cc1c2ccc(C(=O)NC3CN(c4cc(Cl)ncc4Cl)C3)cc2nn1C | 10.1016/j.bmcl.2019.126812 | ||
| 127044525 | 140495 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 374 | 3 | 0 | 6 | 4.4 | Cc1sc2ncnc(N3CCC(Oc4ccc(Cl)nc4)CC3)c2c1C | 10.1016/j.bmcl.2016.05.010 | ||
| CHEMBL3810183 | 140495 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 374 | 3 | 0 | 6 | 4.4 | Cc1sc2ncnc(N3CCC(Oc4ccc(Cl)nc4)CC3)c2c1C | 10.1016/j.bmcl.2016.05.010 | ||
| 187 | 255 | 39 | None | 1 | 8 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acsmedchemlett.9b00106 | ||
| 294 | 255 | 39 | None | 1 | 8 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acsmedchemlett.9b00106 | ||
| 65 | 255 | 39 | None | 1 | 8 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acsmedchemlett.9b00106 | ||
| 8593 | 255 | 39 | None | 1 | 8 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acsmedchemlett.9b00106 | ||
| CHEMBL667 | 255 | 39 | None | 1 | 8 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acsmedchemlett.9b00106 | ||
| DB03128 | 255 | 39 | None | 1 | 8 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acsmedchemlett.9b00106 | ||
| 156014184 | 177173 | 0 | None | -1 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 386 | 4 | 1 | 7 | 2.0 | COc1cc(N2CC(NC(=O)c3cn4c(C)c(C)nc4cn3)C2)c(Cl)cn1 | 10.1016/j.bmcl.2019.126812 | ||
| CHEMBL4635170 | 177173 | 0 | None | -1 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 386 | 4 | 1 | 7 | 2.0 | COc1cc(N2CC(NC(=O)c3cn4c(C)c(C)nc4cn3)C2)c(Cl)cn1 | 10.1016/j.bmcl.2019.126812 | ||
| 127044525 | 140495 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 374 | 3 | 0 | 6 | 4.4 | Cc1sc2ncnc(N3CCC(Oc4ccc(Cl)nc4)CC3)c2c1C | 10.1016/j.bmcl.2016.05.010 | ||
| CHEMBL3810183 | 140495 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 374 | 3 | 0 | 6 | 4.4 | Cc1sc2ncnc(N3CCC(Oc4ccc(Cl)nc4)CC3)c2c1C | 10.1016/j.bmcl.2016.05.010 | ||
| 89768704 | 158417 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 410 | 3 | 2 | 8 | 3.1 | Cc1nnc2sc(C(=O)NC3CN(c4nc5ccccc5s4)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.05.014 | ||
| CHEMBL4090463 | 158417 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 410 | 3 | 2 | 8 | 3.1 | Cc1nnc2sc(C(=O)NC3CN(c4nc5ccccc5s4)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.05.014 | ||
| 145971419 | 164656 | 0 | None | - | 1 | Rat | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 366 | 3 | 1 | 4 | 3.5 | Cc1cc(C)c2cc(C(=O)NC3CN(c4cccc(Cl)n4)C3)ccc2n1 | 10.1016/j.bmcl.2017.10.016 | ||
| CHEMBL4216930 | 164656 | 0 | None | - | 1 | Rat | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 366 | 3 | 1 | 4 | 3.5 | Cc1cc(C)c2cc(C(=O)NC3CN(c4cccc(Cl)n4)C3)ccc2n1 | 10.1016/j.bmcl.2017.10.016 | ||
| 127043632 | 140347 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 355 | 3 | 0 | 7 | 3.5 | Cc1ncc(OC2CCN(c3ncnc4sc(C)c(C)c34)CC2)cn1 | 10.1016/j.bmcl.2016.05.010 | ||
| CHEMBL3808442 | 140347 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 355 | 3 | 0 | 7 | 3.5 | Cc1ncc(OC2CCN(c3ncnc4sc(C)c(C)c34)CC2)cn1 | 10.1016/j.bmcl.2016.05.010 | ||
| 89768704 | 158417 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 410 | 3 | 2 | 8 | 3.1 | Cc1nnc2sc(C(=O)NC3CN(c4nc5ccccc5s4)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.05.014 | ||
| CHEMBL4090463 | 158417 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 410 | 3 | 2 | 8 | 3.1 | Cc1nnc2sc(C(=O)NC3CN(c4nc5ccccc5s4)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.05.014 | ||
| 89777222 | 150553 | 0 | None | - | 1 | Rat | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 432 | 4 | 2 | 7 | 3.4 | Cc1nnc2sc(C(=O)NCc3ccc(S(=O)(=O)C(C)(C)C)cc3)c(N)c2c1C | 10.1016/j.bmcl.2016.11.086 | ||
| CHEMBL3955059 | 150553 | 0 | None | - | 1 | Rat | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 432 | 4 | 2 | 7 | 3.4 | Cc1nnc2sc(C(=O)NCc3ccc(S(=O)(=O)C(C)(C)C)cc3)c(N)c2c1C | 10.1016/j.bmcl.2016.11.086 | ||
| 89777222 | 150553 | 0 | None | - | 1 | Rat | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 432 | 4 | 2 | 7 | 3.4 | Cc1nnc2sc(C(=O)NCc3ccc(S(=O)(=O)C(C)(C)C)cc3)c(N)c2c1C | 10.1016/j.bmcl.2016.11.086 | ||
| CHEMBL3955059 | 150553 | 0 | None | - | 1 | Rat | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 432 | 4 | 2 | 7 | 3.4 | Cc1nnc2sc(C(=O)NCc3ccc(S(=O)(=O)C(C)(C)C)cc3)c(N)c2c1C | 10.1016/j.bmcl.2016.11.086 | ||
| 145971419 | 164656 | 0 | None | - | 1 | Rat | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 366 | 3 | 1 | 4 | 3.5 | Cc1cc(C)c2cc(C(=O)NC3CN(c4cccc(Cl)n4)C3)ccc2n1 | 10.1016/j.bmcl.2017.10.016 | ||
| CHEMBL4216930 | 164656 | 0 | None | - | 1 | Rat | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 366 | 3 | 1 | 4 | 3.5 | Cc1cc(C)c2cc(C(=O)NC3CN(c4cccc(Cl)n4)C3)ccc2n1 | 10.1016/j.bmcl.2017.10.016 | ||
| 127043632 | 140347 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 355 | 3 | 0 | 7 | 3.5 | Cc1ncc(OC2CCN(c3ncnc4sc(C)c(C)c34)CC2)cn1 | 10.1016/j.bmcl.2016.05.010 | ||
| CHEMBL3808442 | 140347 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 355 | 3 | 0 | 7 | 3.5 | Cc1ncc(OC2CCN(c3ncnc4sc(C)c(C)c34)CC2)cn1 | 10.1016/j.bmcl.2016.05.010 | ||
| 89777270 | 163623 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 374 | 2 | 1 | 5 | 3.4 | Cc1nnc2sc(C(=O)N3CC(F)(c4cccc(F)c4)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.10.053 | ||
| CHEMBL4204144 | 163623 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 374 | 2 | 1 | 5 | 3.4 | Cc1nnc2sc(C(=O)N3CC(F)(c4cccc(F)c4)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.10.053 | ||
| 145975083 | 163612 | 0 | None | - | 1 | Rat | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 400 | 3 | 1 | 4 | 3.9 | Cc1cc(C)c2cc(C(=O)NC3CN(c4ccc(C(F)(F)F)nc4)C3)ccc2n1 | 10.1016/j.bmcl.2017.10.016 | ||
| CHEMBL4203977 | 163612 | 0 | None | - | 1 | Rat | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 400 | 3 | 1 | 4 | 3.9 | Cc1cc(C)c2cc(C(=O)NC3CN(c4ccc(C(F)(F)F)nc4)C3)ccc2n1 | 10.1016/j.bmcl.2017.10.016 | ||
| 89777270 | 163623 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 374 | 2 | 1 | 5 | 3.4 | Cc1nnc2sc(C(=O)N3CC(F)(c4cccc(F)c4)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.10.053 | ||
| CHEMBL4204144 | 163623 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 374 | 2 | 1 | 5 | 3.4 | Cc1nnc2sc(C(=O)N3CC(F)(c4cccc(F)c4)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.10.053 | ||
| 145975083 | 163612 | 0 | None | - | 1 | Rat | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 400 | 3 | 1 | 4 | 3.9 | Cc1cc(C)c2cc(C(=O)NC3CN(c4ccc(C(F)(F)F)nc4)C3)ccc2n1 | 10.1016/j.bmcl.2017.10.016 | ||
| CHEMBL4203977 | 163612 | 0 | None | - | 1 | Rat | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 400 | 3 | 1 | 4 | 3.9 | Cc1cc(C)c2cc(C(=O)NC3CN(c4ccc(C(F)(F)F)nc4)C3)ccc2n1 | 10.1016/j.bmcl.2017.10.016 | ||
| 156019934 | 177939 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 357 | 3 | 2 | 7 | 1.2 | Cn1nnc2ccc(C(=O)NC3CN(c4cccc(Cl)n4)C3)c(N)c21 | 10.1016/j.bmcl.2019.126811 | ||
| CHEMBL4645945 | 177939 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 357 | 3 | 2 | 7 | 1.2 | Cn1nnc2ccc(C(=O)NC3CN(c4cccc(Cl)n4)C3)c(N)c21 | 10.1016/j.bmcl.2019.126811 | ||
| CHEMBL5082438 | 214779 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | None | None | None | Cc1cc(C)c2c(n1)sc1c(N3CC4CC4C3)ncnc12 | 10.1016/j.bmcl.2021.128416 | ||||
| 145965409 | 164032 | 0 | None | - | 1 | Rat | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 384 | 3 | 1 | 4 | 3.7 | Cc1cc(C)c2cc(C(=O)NC3CN(c4ncc(Cl)cc4F)C3)ccc2n1 | 10.1016/j.bmcl.2017.10.016 | ||
| CHEMBL4209083 | 164032 | 0 | None | - | 1 | Rat | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 384 | 3 | 1 | 4 | 3.7 | Cc1cc(C)c2cc(C(=O)NC3CN(c4ncc(Cl)cc4F)C3)ccc2n1 | 10.1016/j.bmcl.2017.10.016 | ||
| 156012624 | 177395 | 0 | None | -1 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 386 | 4 | 1 | 7 | 2.0 | COc1cc(N2CC(NC(=O)c3cc4c(C)n(C)nc4cn3)C2)c(Cl)cn1 | 10.1016/j.bmcl.2019.126812 | ||
| CHEMBL4638506 | 177395 | 0 | None | -1 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 386 | 4 | 1 | 7 | 2.0 | COc1cc(N2CC(NC(=O)c3cc4c(C)n(C)nc4cn3)C2)c(Cl)cn1 | 10.1016/j.bmcl.2019.126812 | ||
| CHEMBL5073777 | 214283 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | None | None | None | Cc1cc(C)c2c(n1)sc1c(N3CC(F)(F)C3)ncnc12 | 10.1016/j.bmcl.2021.128416 | ||||
| 145968703 | 164772 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 352 | 2 | 1 | 5 | 3.4 | Cc1ccccc1C1CN(C(=O)c2sc3nnc(C)c(C)c3c2N)C1 | 10.1016/j.bmcl.2017.10.053 | ||
| CHEMBL4218342 | 164772 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 352 | 2 | 1 | 5 | 3.4 | Cc1ccccc1C1CN(C(=O)c2sc3nnc(C)c(C)c3c2N)C1 | 10.1016/j.bmcl.2017.10.053 | ||
| 145968703 | 164772 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 352 | 2 | 1 | 5 | 3.4 | Cc1ccccc1C1CN(C(=O)c2sc3nnc(C)c(C)c3c2N)C1 | 10.1016/j.bmcl.2017.10.053 | ||
| CHEMBL4218342 | 164772 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 352 | 2 | 1 | 5 | 3.4 | Cc1ccccc1C1CN(C(=O)c2sc3nnc(C)c(C)c3c2N)C1 | 10.1016/j.bmcl.2017.10.053 | ||
| 145965409 | 164032 | 0 | None | - | 1 | Rat | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 384 | 3 | 1 | 4 | 3.7 | Cc1cc(C)c2cc(C(=O)NC3CN(c4ncc(Cl)cc4F)C3)ccc2n1 | 10.1016/j.bmcl.2017.10.016 | ||
| CHEMBL4209083 | 164032 | 0 | None | - | 1 | Rat | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 384 | 3 | 1 | 4 | 3.7 | Cc1cc(C)c2cc(C(=O)NC3CN(c4ncc(Cl)cc4F)C3)ccc2n1 | 10.1016/j.bmcl.2017.10.016 | ||
| 134207719 | 175865 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 377 | 2 | 2 | 6 | 3.0 | Cc1nc2cc(C)c3c(N)c(C(=O)NC4Cc5ccccc5C4)sc3n2n1 | 10.1016/j.bmcl.2019.06.032 | ||
| CHEMBL4586356 | 175865 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 377 | 2 | 2 | 6 | 3.0 | Cc1nc2cc(C)c3c(N)c(C(=O)NC4Cc5ccccc5C4)sc3n2n1 | 10.1016/j.bmcl.2019.06.032 | ||
| 156010345 | 177050 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 382 | 3 | 2 | 8 | 1.1 | Cn1nnc2ccc(C(=O)NC3CN(c4ncc(C#N)cc4Cl)C3)c(N)c21 | 10.1016/j.bmcl.2019.126811 | ||
| CHEMBL4633013 | 177050 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 382 | 3 | 2 | 8 | 1.1 | Cn1nnc2ccc(C(=O)NC3CN(c4ncc(C#N)cc4Cl)C3)c(N)c21 | 10.1016/j.bmcl.2019.126811 | ||
| 156022245 | 177198 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 268 | 1 | 0 | 4 | 3.4 | Cc1c2c(ccc3c(CC(C)(C)C)ncnc32)nn1C | 10.1016/j.bmcl.2019.126811 | ||
| CHEMBL4635539 | 177198 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 268 | 1 | 0 | 4 | 3.4 | Cc1c2c(ccc3c(CC(C)(C)C)ncnc32)nn1C | 10.1016/j.bmcl.2019.126811 | ||
| 156011257 | 177304 | 0 | None | -1 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 443 | 3 | 1 | 5 | 3.9 | Cn1c(C(F)(F)F)nc2ccc(C(=O)NC3CN(c4cc(Cl)ncc4Cl)C3)cc21 | 10.1016/j.bmcl.2019.126812 | ||
| CHEMBL4637175 | 177304 | 0 | None | -1 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 443 | 3 | 1 | 5 | 3.9 | Cn1c(C(F)(F)F)nc2ccc(C(=O)NC3CN(c4cc(Cl)ncc4Cl)C3)cc21 | 10.1016/j.bmcl.2019.126812 | ||
| 72945087 | 120515 | 1 | None | 2 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 429 | 3 | 0 | 5 | 2.8 | CCOC(=O)N1CCC(CN2CCC3(CC2)CN(C(=O)N(C)C)c2ncccc23)CC1 | 10.1016/j.bmcl.2014.04.085 | ||
| CHEMBL3310802 | 120515 | 1 | None | 2 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 429 | 3 | 0 | 5 | 2.8 | CCOC(=O)N1CCC(CN2CCC3(CC2)CN(C(=O)N(C)C)c2ncccc23)CC1 | 10.1016/j.bmcl.2014.04.085 | ||
| CHEMBL3545481 | 120515 | 1 | None | 2 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 429 | 3 | 0 | 5 | 2.8 | CCOC(=O)N1CCC(CN2CCC3(CC2)CN(C(=O)N(C)C)c2ncccc23)CC1 | 10.1016/j.bmcl.2014.04.085 | ||
| 89777278 | 151893 | 0 | None | - | 1 | Rat | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 418 | 5 | 2 | 7 | 3.0 | Cc1nnc2sc(C(=O)NCc3ccc(S(=O)(=O)C(C)C)cc3)c(N)c2c1C | 10.1016/j.bmcl.2016.11.086 | ||
| CHEMBL3966208 | 151893 | 0 | None | - | 1 | Rat | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 418 | 5 | 2 | 7 | 3.0 | Cc1nnc2sc(C(=O)NCc3ccc(S(=O)(=O)C(C)C)cc3)c(N)c2c1C | 10.1016/j.bmcl.2016.11.086 | ||
| 89777278 | 151893 | 0 | None | - | 1 | Rat | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 418 | 5 | 2 | 7 | 3.0 | Cc1nnc2sc(C(=O)NCc3ccc(S(=O)(=O)C(C)C)cc3)c(N)c2c1C | 10.1016/j.bmcl.2016.11.086 | ||
| CHEMBL3966208 | 151893 | 0 | None | - | 1 | Rat | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 418 | 5 | 2 | 7 | 3.0 | Cc1nnc2sc(C(=O)NCc3ccc(S(=O)(=O)C(C)C)cc3)c(N)c2c1C | 10.1016/j.bmcl.2016.11.086 | ||
| 155523539 | 170865 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 387 | 4 | 0 | 7 | 3.5 | COc1cccnc1C1CCN(C2CCCN(c3nsnc3C)CC2)CC1 | 10.1021/acsmedchemlett.9b00106 | ||
| CHEMBL4454446 | 170865 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 387 | 4 | 0 | 7 | 3.5 | COc1cccnc1C1CCN(C2CCCN(c3nsnc3C)CC2)CC1 | 10.1021/acsmedchemlett.9b00106 | ||
| 156014219 | 177223 | 0 | None | -2 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 351 | 4 | 1 | 6 | 3.6 | COc1ccc(CNc2ncnc3c2ccc2nn(C)c(C)c23)cc1F | 10.1016/j.bmcl.2019.126811 | ||
| CHEMBL4635909 | 177223 | 0 | None | -2 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 351 | 4 | 1 | 6 | 3.6 | COc1ccc(CNc2ncnc3c2ccc2nn(C)c(C)c23)cc1F | 10.1016/j.bmcl.2019.126811 | ||
| 156012754 | 177287 | 0 | None | -1 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 400 | 5 | 2 | 6 | 3.7 | Cc1c2c(ccc3c(NCc4ccc(C(=O)NC5CCC5)cc4)ncnc32)nn1C | 10.1016/j.bmcl.2019.126811 | ||
| CHEMBL4636845 | 177287 | 0 | None | -1 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 400 | 5 | 2 | 6 | 3.7 | Cc1c2c(ccc3c(NCc4ccc(C(=O)NC5CCC5)cc4)ncnc32)nn1C | 10.1016/j.bmcl.2019.126811 | ||
| 155520162 | 173221 | 0 | None | 1 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 311 | 4 | 1 | 5 | 3.7 | Cc1cc(C)c2c(N)c(C(=O)CCc3ccncc3)sc2n1 | 10.1016/j.bmcl.2016.07.042 | ||
| CHEMBL4524555 | 173221 | 0 | None | 1 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 311 | 4 | 1 | 5 | 3.7 | Cc1cc(C)c2c(N)c(C(=O)CCc3ccncc3)sc2n1 | 10.1016/j.bmcl.2016.07.042 | ||
| 698706 | 175515 | 21 | None | 1 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 312 | 3 | 1 | 5 | 3.7 | COc1ccc(C(=O)c2sc3nc(C)cc(C)c3c2N)cc1 | 10.1016/j.bmcl.2016.07.042 | ||
| CHEMBL4578455 | 175515 | 21 | None | 1 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 312 | 3 | 1 | 5 | 3.7 | COc1ccc(C(=O)c2sc3nc(C)cc(C)c3c2N)cc1 | 10.1016/j.bmcl.2016.07.042 | ||
| 155520162 | 173221 | 0 | None | 1 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 311 | 4 | 1 | 5 | 3.7 | Cc1cc(C)c2c(N)c(C(=O)CCc3ccncc3)sc2n1 | 10.1016/j.bmcl.2016.07.042 | ||
| CHEMBL4524555 | 173221 | 0 | None | 1 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 311 | 4 | 1 | 5 | 3.7 | Cc1cc(C)c2c(N)c(C(=O)CCc3ccncc3)sc2n1 | 10.1016/j.bmcl.2016.07.042 | ||
| 698706 | 175515 | 21 | None | 1 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 312 | 3 | 1 | 5 | 3.7 | COc1ccc(C(=O)c2sc3nc(C)cc(C)c3c2N)cc1 | 10.1016/j.bmcl.2016.07.042 | ||
| CHEMBL4578455 | 175515 | 21 | None | 1 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 312 | 3 | 1 | 5 | 3.7 | COc1ccc(C(=O)c2sc3nc(C)cc(C)c3c2N)cc1 | 10.1016/j.bmcl.2016.07.042 | ||
| 187 | 255 | 39 | None | 1 | 8 | Human | 7.3 | pEC50 | = | 7.3 | 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 | 7.3 | pEC50 | = | 7.3 | 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 | 7.3 | pEC50 | = | 7.3 | 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 | 7.3 | pEC50 | = | 7.3 | 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 | 7.3 | pEC50 | = | 7.3 | 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 | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1016/j.bmcl.2015.08.011 | ||
| 89777463 | 158787 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 407 | 4 | 2 | 6 | 4.0 | Cc1nnc2sc(C(=O)NCc3ccc(-c4ccnc(F)c4)cc3)c(N)c2c1C | 10.1016/j.bmcl.2017.04.043 | ||
| CHEMBL4094439 | 158787 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 407 | 4 | 2 | 6 | 4.0 | Cc1nnc2sc(C(=O)NCc3ccc(-c4ccnc(F)c4)cc3)c(N)c2c1C | 10.1016/j.bmcl.2017.04.043 | ||
| 698706 | 175515 | 21 | None | -1 | 2 | Rat | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 312 | 3 | 1 | 5 | 3.7 | COc1ccc(C(=O)c2sc3nc(C)cc(C)c3c2N)cc1 | 10.1016/j.bmcl.2016.07.042 | ||
| CHEMBL4578455 | 175515 | 21 | None | -1 | 2 | Rat | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 312 | 3 | 1 | 5 | 3.7 | COc1ccc(C(=O)c2sc3nc(C)cc(C)c3c2N)cc1 | 10.1016/j.bmcl.2016.07.042 | ||
| 137652430 | 157502 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 366 | 3 | 0 | 5 | 3.8 | N#Cc1cnc2ccc(F)cc2c1N1CCC(Oc2ccc(F)nc2)CC1 | 10.1016/j.bmcl.2017.08.043 | ||
| CHEMBL4079953 | 157502 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 366 | 3 | 0 | 5 | 3.8 | N#Cc1cnc2ccc(F)cc2c1N1CCC(Oc2ccc(F)nc2)CC1 | 10.1016/j.bmcl.2017.08.043 | ||
| 698706 | 175515 | 21 | None | -1 | 2 | Rat | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 312 | 3 | 1 | 5 | 3.7 | COc1ccc(C(=O)c2sc3nc(C)cc(C)c3c2N)cc1 | 10.1016/j.bmcl.2016.07.042 | ||
| CHEMBL4578455 | 175515 | 21 | None | -1 | 2 | Rat | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 312 | 3 | 1 | 5 | 3.7 | COc1ccc(C(=O)c2sc3nc(C)cc(C)c3c2N)cc1 | 10.1016/j.bmcl.2016.07.042 | ||
| 156019515 | 177956 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 392 | 3 | 1 | 5 | 3.9 | Cc1nc2cc(C(=O)NC3CN(c4cc(Cl)ncc4Cl)C3)ccc2s1 | 10.1016/j.bmcl.2019.126812 | ||
| CHEMBL4646040 | 177956 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 392 | 3 | 1 | 5 | 3.9 | Cc1nc2cc(C(=O)NC3CN(c4cc(Cl)ncc4Cl)C3)ccc2s1 | 10.1016/j.bmcl.2019.126812 | ||
| 3263 | 3994 | 58 | None | -1 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 341 | 4 | 2 | 5 | 3.4 | COc1ccc(cc1)CNC(=O)c1sc2c(c1N)c(C)cc(n2)C | 10.1016/j.bmcl.2021.128416 | ||
| 864492 | 3994 | 58 | None | -1 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 341 | 4 | 2 | 5 | 3.4 | COc1ccc(cc1)CNC(=O)c1sc2c(c1N)c(C)cc(n2)C | 10.1016/j.bmcl.2021.128416 | ||
| CHEMBL1978713 | 3994 | 58 | None | -1 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 341 | 4 | 2 | 5 | 3.4 | COc1ccc(cc1)CNC(=O)c1sc2c(c1N)c(C)cc(n2)C | 10.1016/j.bmcl.2021.128416 | ||
| 9809330 | 115973 | 0 | None | -8 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 552 | 16 | 0 | 13 | 2.3 | CN1CCC=C(c2nsnc2OCCOCCOCCOCCOc2nsnc2C2=CCCN(C)C2)C1 | 10.1021/jm0102405 | ||
| CHEMBL335542 | 115973 | 0 | None | -8 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 552 | 16 | 0 | 13 | 2.3 | CN1CCC=C(c2nsnc2OCCOCCOCCOCCOc2nsnc2C2=CCCN(C)C2)C1 | 10.1021/jm0102405 | ||
| 306 | 3430 | 21 | None | 1 | 5 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 193 | 2 | 0 | 4 | 0.9 | CO/N=C(/[C@H]1CN2CCC1CC2)\C#N | 10.1021/ml300372f | ||
| 3536 | 3430 | 21 | None | 1 | 5 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 193 | 2 | 0 | 4 | 0.9 | CO/N=C(/[C@H]1CN2CCC1CC2)\C#N | 10.1021/ml300372f | ||
| 53930639 | 3430 | 21 | None | 1 | 5 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 193 | 2 | 0 | 4 | 0.9 | CO/N=C(/[C@H]1CN2CCC1CC2)\C#N | 10.1021/ml300372f | ||
| 9577995 | 3430 | 21 | None | 1 | 5 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 193 | 2 | 0 | 4 | 0.9 | CO/N=C(/[C@H]1CN2CCC1CC2)\C#N | 10.1021/ml300372f | ||
| CHEMBL134641 | 3430 | 21 | None | 1 | 5 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 193 | 2 | 0 | 4 | 0.9 | CO/N=C(/[C@H]1CN2CCC1CC2)\C#N | 10.1021/ml300372f | ||
| 137653452 | 158580 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 384 | 4 | 2 | 8 | 1.9 | COc1cc(N2CC(NC(=O)c3sc4nnc(C)c(C)c4c3N)C2)ccn1 | 10.1016/j.bmcl.2017.05.014 | ||
| CHEMBL4092128 | 158580 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 384 | 4 | 2 | 8 | 1.9 | COc1cc(N2CC(NC(=O)c3sc4nnc(C)c(C)c4c3N)C2)ccn1 | 10.1016/j.bmcl.2017.05.014 | ||
| 45142486 | 52329 | 0 | None | 2 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 440 | 6 | 2 | 6 | 4.4 | Cc1cc(OCc2ccncc2)nc2sc(C(=O)NCc3cccc(F)c3F)c(N)c12 | 10.1016/j.bmcl.2012.10.073 | ||
| CHEMBL1589763 | 52329 | 0 | None | 2 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 440 | 6 | 2 | 6 | 4.4 | Cc1cc(OCc2ccncc2)nc2sc(C(=O)NCc3cccc(F)c3F)c(N)c12 | 10.1016/j.bmcl.2012.10.073 | ||
| 42598829 | 16048 | 0 | None | -63 | 5 | Human | 6.3 | pEC50 | = | 6.3 | 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 | -63 | 5 | Human | 6.3 | pEC50 | = | 6.3 | 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 | ||
| 42599071 | 16092 | 0 | None | -199 | 5 | Human | 6.3 | pEC50 | = | 6.3 | 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 | -199 | 5 | Human | 6.3 | pEC50 | = | 6.3 | 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 | ||
| 16071018 | 16022 | 20 | None | -56 | 5 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 333 | 2 | 1 | 4 | 2.6 | Cc1cc2c(cc1F)[nH]c(=O)n2C1CCN(C2CCOCC2)CC1 | 10.1021/ml100105x | ||
| CHEMBL1223753 | 16022 | 20 | None | -56 | 5 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 333 | 2 | 1 | 4 | 2.6 | Cc1cc2c(cc1F)[nH]c(=O)n2C1CCN(C2CCOCC2)CC1 | 10.1021/ml100105x | ||
| 137653452 | 158580 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 384 | 4 | 2 | 8 | 1.9 | COc1cc(N2CC(NC(=O)c3sc4nnc(C)c(C)c4c3N)C2)ccn1 | 10.1016/j.bmcl.2017.05.014 | ||
| CHEMBL4092128 | 158580 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 384 | 4 | 2 | 8 | 1.9 | COc1cc(N2CC(NC(=O)c3sc4nnc(C)c(C)c4c3N)C2)ccn1 | 10.1016/j.bmcl.2017.05.014 | ||
| 89777261 | 152876 | 0 | None | 7 | 2 | Rat | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 390 | 4 | 2 | 7 | 2.2 | Cc1nnc2sc(C(=O)NCc3ccc(S(C)(=O)=O)cc3)c(N)c2c1C | 10.1016/j.bmcl.2016.11.086 | ||
| CHEMBL3974708 | 152876 | 0 | None | 7 | 2 | Rat | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 390 | 4 | 2 | 7 | 2.2 | Cc1nnc2sc(C(=O)NCc3ccc(S(C)(=O)=O)cc3)c(N)c2c1C | 10.1016/j.bmcl.2016.11.086 | ||
| 89777261 | 152876 | 0 | None | 7 | 2 | Rat | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 390 | 4 | 2 | 7 | 2.2 | Cc1nnc2sc(C(=O)NCc3ccc(S(C)(=O)=O)cc3)c(N)c2c1C | 10.1016/j.bmcl.2016.11.086 | ||
| CHEMBL3974708 | 152876 | 0 | None | 7 | 2 | Rat | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 390 | 4 | 2 | 7 | 2.2 | Cc1nnc2sc(C(=O)NCc3ccc(S(C)(=O)=O)cc3)c(N)c2c1C | 10.1016/j.bmcl.2016.11.086 | ||
| 162655852 | 180698 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 437 | 4 | 2 | 8 | 2.6 | CCc1nnc2sc(C(=O)NC3CN(c4ncc(C(F)(F)F)cn4)C3)c(N)c2c1C | 10.1016/j.bmcl.2019.05.026 | ||
| CHEMBL4755728 | 180698 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 437 | 4 | 2 | 8 | 2.6 | CCc1nnc2sc(C(=O)NC3CN(c4ncc(C(F)(F)F)cn4)C3)c(N)c2c1C | 10.1016/j.bmcl.2019.05.026 | ||
| 117916853 | 174174 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 326 | 4 | 1 | 4 | 3.9 | COc1ccc(CNC(=O)c2cc3c(C)cc(C)nc3s2)cc1 | 10.1016/j.bmcl.2018.12.039 | ||
| CHEMBL4547995 | 174174 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 326 | 4 | 1 | 4 | 3.9 | COc1ccc(CNC(=O)c2cc3c(C)cc(C)nc3s2)cc1 | 10.1016/j.bmcl.2018.12.039 | ||
| 137652430 | 157502 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 366 | 3 | 0 | 5 | 3.8 | N#Cc1cnc2ccc(F)cc2c1N1CCC(Oc2ccc(F)nc2)CC1 | 10.1016/j.bmcl.2017.08.043 | ||
| CHEMBL4079953 | 157502 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 366 | 3 | 0 | 5 | 3.8 | N#Cc1cnc2ccc(F)cc2c1N1CCC(Oc2ccc(F)nc2)CC1 | 10.1016/j.bmcl.2017.08.043 | ||
| 53382498 | 86307 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 325 | 2 | 2 | 5 | 2.7 | Cc1nc2sc(C(=O)NC3CCOC3)c(N)c2c(C)c1Cl | 10.1016/j.bmcl.2012.10.073 | ||
| CHEMBL2313402 | 86307 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 325 | 2 | 2 | 5 | 2.7 | Cc1nc2sc(C(=O)NC3CCOC3)c(N)c2c(C)c1Cl | 10.1016/j.bmcl.2012.10.073 | ||
| 53382498 | 86307 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 325 | 2 | 2 | 5 | 2.7 | Cc1nc2sc(C(=O)NC3CCOC3)c(N)c2c(C)c1Cl | 10.1016/j.bmcl.2012.10.073 | ||
| CHEMBL2313402 | 86307 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 325 | 2 | 2 | 5 | 2.7 | Cc1nc2sc(C(=O)NC3CCOC3)c(N)c2c(C)c1Cl | 10.1016/j.bmcl.2012.10.073 | ||
| 156019814 | 177360 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 295 | 1 | 0 | 6 | 1.7 | Cc1c2c(ccc3c(N4CC5(COC5)C4)ncnc32)nn1C | 10.1016/j.bmcl.2019.126811 | ||
| CHEMBL4638044 | 177360 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 295 | 1 | 0 | 6 | 1.7 | Cc1c2c(ccc3c(N4CC5(COC5)C4)ncnc32)nn1C | 10.1016/j.bmcl.2019.126811 | ||
| 155520162 | 173221 | 0 | None | -1 | 2 | Rat | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 311 | 4 | 1 | 5 | 3.7 | Cc1cc(C)c2c(N)c(C(=O)CCc3ccncc3)sc2n1 | 10.1016/j.bmcl.2016.07.042 | ||
| CHEMBL4524555 | 173221 | 0 | None | -1 | 2 | Rat | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 311 | 4 | 1 | 5 | 3.7 | Cc1cc(C)c2c(N)c(C(=O)CCc3ccncc3)sc2n1 | 10.1016/j.bmcl.2016.07.042 | ||
| 137637726 | 155866 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 380 | 3 | 0 | 5 | 4.1 | Cc1ccc(OC2CCN(c3c(C#N)cnc4ccc(F)cc34)CC2)c(F)n1 | 10.1016/j.bmcl.2017.08.043 | ||
| CHEMBL4060527 | 155866 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 380 | 3 | 0 | 5 | 4.1 | Cc1ccc(OC2CCN(c3c(C#N)cnc4ccc(F)cc34)CC2)c(F)n1 | 10.1016/j.bmcl.2017.08.043 | ||
| 11498 | 2997 | 41 | None | 13 | 5 | Human | 7.3 | pEC50 | = | 7.3 | Functional | 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 | 13 | 5 | Human | 7.3 | pEC50 | = | 7.3 | Functional | 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 | 13 | 5 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 392 | 3 | 1 | 5 | 4.1 | CCOC(=O)c1c(C)[nH]c2c1c1CN3CCc4c(C3Oc1cc2)ccc(c4)OC | 10.1016/j.bmcl.2008.03.061 | ||
| 137633999 | 156532 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 390 | 4 | 2 | 7 | 3.3 | Cc1nnc2sc(C(=O)NCc3ccc(-c4ccnnc4)cc3)c(N)c2c1C | 10.1016/j.bmcl.2017.04.043 | ||
| CHEMBL4068328 | 156532 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 390 | 4 | 2 | 7 | 3.3 | Cc1nnc2sc(C(=O)NCc3ccc(-c4ccnnc4)cc3)c(N)c2c1C | 10.1016/j.bmcl.2017.04.043 | ||
| 155520162 | 173221 | 0 | None | -1 | 2 | Rat | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 311 | 4 | 1 | 5 | 3.7 | Cc1cc(C)c2c(N)c(C(=O)CCc3ccncc3)sc2n1 | 10.1016/j.bmcl.2016.07.042 | ||
| CHEMBL4524555 | 173221 | 0 | None | -1 | 2 | Rat | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 311 | 4 | 1 | 5 | 3.7 | Cc1cc(C)c2c(N)c(C(=O)CCc3ccncc3)sc2n1 | 10.1016/j.bmcl.2016.07.042 | ||
| 162667175 | 182377 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 451 | 4 | 2 | 8 | 3.1 | Cc1c(C(C)C)nnc2sc(C(=O)NC3CN(c4ncc(C(F)(F)F)cn4)C3)c(N)c12 | 10.1016/j.bmcl.2019.05.026 | ||
| CHEMBL4785538 | 182377 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 451 | 4 | 2 | 8 | 3.1 | Cc1c(C(C)C)nnc2sc(C(=O)NC3CN(c4ncc(C(F)(F)F)cn4)C3)c(N)c12 | 10.1016/j.bmcl.2019.05.026 | ||
| 89768546 | 148993 | 0 | None | -18 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 438 | 4 | 2 | 5 | 5.5 | Cc1nnc2sc(C(=O)NCc3ccc(S(F)(F)(F)(F)F)cc3)c(N)c2c1C | 10.1016/j.bmcl.2016.11.086 | ||
| CHEMBL3942511 | 148993 | 0 | None | -18 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 438 | 4 | 2 | 5 | 5.5 | Cc1nnc2sc(C(=O)NCc3ccc(S(F)(F)(F)(F)F)cc3)c(N)c2c1C | 10.1016/j.bmcl.2016.11.086 | ||
| 89768546 | 148993 | 0 | None | -18 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 438 | 4 | 2 | 5 | 5.5 | Cc1nnc2sc(C(=O)NCc3ccc(S(F)(F)(F)(F)F)cc3)c(N)c2c1C | 10.1016/j.bmcl.2016.11.086 | ||
| CHEMBL3942511 | 148993 | 0 | None | -18 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 438 | 4 | 2 | 5 | 5.5 | Cc1nnc2sc(C(=O)NCc3ccc(S(F)(F)(F)(F)F)cc3)c(N)c2c1C | 10.1016/j.bmcl.2016.11.086 | ||
| 156013700 | 177251 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 361 | 4 | 2 | 6 | 3.7 | Cc1c2c(ccc3c(NCc4ccc(C(C)(C)O)cc4)ncnc32)nn1C | 10.1016/j.bmcl.2019.126811 | ||
| CHEMBL4636269 | 177251 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 361 | 4 | 2 | 6 | 3.7 | Cc1c2c(ccc3c(NCc4ccc(C(C)(C)O)cc4)ncnc32)nn1C | 10.1016/j.bmcl.2019.126811 | ||
| CHEMBL4640311 | 177251 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 361 | 4 | 2 | 6 | 3.7 | Cc1c2c(ccc3c(NCc4ccc(C(C)(C)O)cc4)ncnc32)nn1C | 10.1016/j.bmcl.2019.126811 | ||
| 137633999 | 156532 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 390 | 4 | 2 | 7 | 3.3 | Cc1nnc2sc(C(=O)NCc3ccc(-c4ccnnc4)cc3)c(N)c2c1C | 10.1016/j.bmcl.2017.04.043 | ||
| CHEMBL4068328 | 156532 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 390 | 4 | 2 | 7 | 3.3 | Cc1nnc2sc(C(=O)NCc3ccc(-c4ccnnc4)cc3)c(N)c2c1C | 10.1016/j.bmcl.2017.04.043 | ||
| 53382523 | 76033 | 0 | None | 3 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 346 | 3 | 2 | 5 | 3.5 | Cc1nc2sc(C(=O)NCc3ccncc3)c(N)c2c(C)c1Cl | 10.1016/j.bmcl.2012.10.073 | ||
| CHEMBL2057417 | 76033 | 0 | None | 3 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 346 | 3 | 2 | 5 | 3.5 | Cc1nc2sc(C(=O)NCc3ccncc3)c(N)c2c(C)c1Cl | 10.1016/j.bmcl.2012.10.073 | ||
| 53382523 | 76033 | 0 | None | 3 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 346 | 3 | 2 | 5 | 3.5 | Cc1nc2sc(C(=O)NCc3ccncc3)c(N)c2c(C)c1Cl | 10.1016/j.bmcl.2012.10.073 | ||
| CHEMBL2057417 | 76033 | 0 | None | 3 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 346 | 3 | 2 | 5 | 3.5 | Cc1nc2sc(C(=O)NCc3ccncc3)c(N)c2c(C)c1Cl | 10.1016/j.bmcl.2012.10.073 | ||
| 117917123 | 171667 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 385 | 5 | 1 | 5 | 4.3 | COc1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2C2CC2)cc1F | 10.1016/j.bmcl.2018.12.039 | ||
| CHEMBL4466551 | 171667 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 385 | 5 | 1 | 5 | 4.3 | COc1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2C2CC2)cc1F | 10.1016/j.bmcl.2018.12.039 | ||
| 19571628 | 175357 | 0 | None | 7 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 318 | 2 | 1 | 4 | 4.0 | Cc1cc(C)c2c(N)c(C(=O)c3ccc(F)cc3F)sc2n1 | 10.1016/j.bmcl.2016.07.042 | ||
| CHEMBL4575082 | 175357 | 0 | None | 7 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 318 | 2 | 1 | 4 | 4.0 | Cc1cc(C)c2c(N)c(C(=O)c3ccc(F)cc3F)sc2n1 | 10.1016/j.bmcl.2016.07.042 | ||
| 19571628 | 175357 | 0 | None | 7 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 318 | 2 | 1 | 4 | 4.0 | Cc1cc(C)c2c(N)c(C(=O)c3ccc(F)cc3F)sc2n1 | 10.1016/j.bmcl.2016.07.042 | ||
| CHEMBL4575082 | 175357 | 0 | None | 7 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 318 | 2 | 1 | 4 | 4.0 | Cc1cc(C)c2c(N)c(C(=O)c3ccc(F)cc3F)sc2n1 | 10.1016/j.bmcl.2016.07.042 | ||
| 53002564 | 157118 | 6 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 410 | 3 | 1 | 4 | 4.4 | N#Cc1cnc2ccc(F)cc2c1N1CCC(C(=O)Nc2ccc(F)c(F)c2)CC1 | 10.1016/j.bmcl.2017.08.043 | ||
| CHEMBL4075147 | 157118 | 6 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 410 | 3 | 1 | 4 | 4.4 | N#Cc1cnc2ccc(F)cc2c1N1CCC(C(=O)Nc2ccc(F)c(F)c2)CC1 | 10.1016/j.bmcl.2017.08.043 | ||
| 89777274 | 158728 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 382 | 3 | 2 | 7 | 1.5 | Cc1nnc2sc(C(=O)NC3CN(C(=O)c4ccccn4)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.05.014 | ||
| CHEMBL4093866 | 158728 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 382 | 3 | 2 | 7 | 1.5 | Cc1nnc2sc(C(=O)NC3CN(C(=O)c4ccccn4)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.05.014 | ||
| 137653326 | 158822 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 380 | 3 | 0 | 5 | 4.1 | Cc1ccc(OC2CCN(c3c(C#N)cnc4cc(F)c(F)cc34)CC2)cn1 | 10.1016/j.bmcl.2017.08.043 | ||
| CHEMBL4094821 | 158822 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 380 | 3 | 0 | 5 | 4.1 | Cc1ccc(OC2CCN(c3c(C#N)cnc4cc(F)c(F)cc34)CC2)cn1 | 10.1016/j.bmcl.2017.08.043 | ||
| 137657888 | 159665 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 382 | 3 | 0 | 5 | 4.3 | N#Cc1cnc2ccc(F)cc2c1N1CCC(Oc2ccc(Cl)nc2)CC1 | 10.1016/j.bmcl.2017.08.043 | ||
| CHEMBL4104193 | 159665 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 382 | 3 | 0 | 5 | 4.3 | N#Cc1cnc2ccc(F)cc2c1N1CCC(Oc2ccc(Cl)nc2)CC1 | 10.1016/j.bmcl.2017.08.043 | ||
| 89777274 | 158728 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 382 | 3 | 2 | 7 | 1.5 | Cc1nnc2sc(C(=O)NC3CN(C(=O)c4ccccn4)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.05.014 | ||
| CHEMBL4093866 | 158728 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 382 | 3 | 2 | 7 | 1.5 | Cc1nnc2sc(C(=O)NC3CN(C(=O)c4ccccn4)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.05.014 | ||
| 137637726 | 155866 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 380 | 3 | 0 | 5 | 4.1 | Cc1ccc(OC2CCN(c3c(C#N)cnc4ccc(F)cc34)CC2)c(F)n1 | 10.1016/j.bmcl.2017.08.043 | ||
| CHEMBL4060527 | 155866 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 380 | 3 | 0 | 5 | 4.1 | Cc1ccc(OC2CCN(c3c(C#N)cnc4ccc(F)cc34)CC2)c(F)n1 | 10.1016/j.bmcl.2017.08.043 | ||
| 53002564 | 157118 | 6 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 410 | 3 | 1 | 4 | 4.4 | N#Cc1cnc2ccc(F)cc2c1N1CCC(C(=O)Nc2ccc(F)c(F)c2)CC1 | 10.1016/j.bmcl.2017.08.043 | ||
| CHEMBL4075147 | 157118 | 6 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 410 | 3 | 1 | 4 | 4.4 | N#Cc1cnc2ccc(F)cc2c1N1CCC(C(=O)Nc2ccc(F)c(F)c2)CC1 | 10.1016/j.bmcl.2017.08.043 | ||
| 145973726 | 164606 | 0 | None | 36 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 356 | 2 | 1 | 5 | 3.3 | Cc1nnc2sc(C(=O)N3CC(c4cccc(F)c4)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.10.053 | ||
| CHEMBL4216213 | 164606 | 0 | None | 36 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 356 | 2 | 1 | 5 | 3.3 | Cc1nnc2sc(C(=O)N3CC(c4cccc(F)c4)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.10.053 | ||
| 187 | 255 | 39 | None | 1 | 8 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acsmedchemlett.9b00106 | ||
| 294 | 255 | 39 | None | 1 | 8 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acsmedchemlett.9b00106 | ||
| 65 | 255 | 39 | None | 1 | 8 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acsmedchemlett.9b00106 | ||
| 8593 | 255 | 39 | None | 1 | 8 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acsmedchemlett.9b00106 | ||
| CHEMBL667 | 255 | 39 | None | 1 | 8 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acsmedchemlett.9b00106 | ||
| DB03128 | 255 | 39 | None | 1 | 8 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acsmedchemlett.9b00106 | ||
| 145973726 | 164606 | 0 | None | 36 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 356 | 2 | 1 | 5 | 3.3 | Cc1nnc2sc(C(=O)N3CC(c4cccc(F)c4)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.10.053 | ||
| CHEMBL4216213 | 164606 | 0 | None | 36 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 356 | 2 | 1 | 5 | 3.3 | Cc1nnc2sc(C(=O)N3CC(c4cccc(F)c4)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.10.053 | ||
| 89777153 | 143220 | 0 | None | - | 1 | Rat | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 408 | 4 | 2 | 7 | 2.4 | Cc1nnc2sc(C(=O)NCc3ccc(S(C)(=O)=O)c(F)c3)c(N)c2c1C | 10.1016/j.bmcl.2016.11.086 | ||
| CHEMBL3896591 | 143220 | 0 | None | - | 1 | Rat | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 408 | 4 | 2 | 7 | 2.4 | Cc1nnc2sc(C(=O)NCc3ccc(S(C)(=O)=O)c(F)c3)c(N)c2c1C | 10.1016/j.bmcl.2016.11.086 | ||
| 89777153 | 143220 | 0 | None | - | 1 | Rat | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 408 | 4 | 2 | 7 | 2.4 | Cc1nnc2sc(C(=O)NCc3ccc(S(C)(=O)=O)c(F)c3)c(N)c2c1C | 10.1016/j.bmcl.2016.11.086 | ||
| CHEMBL3896591 | 143220 | 0 | None | - | 1 | Rat | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 408 | 4 | 2 | 7 | 2.4 | Cc1nnc2sc(C(=O)NCc3ccc(S(C)(=O)=O)c(F)c3)c(N)c2c1C | 10.1016/j.bmcl.2016.11.086 | ||
| 18204435 | 37415 | 5 | None | 48 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 423 | 4 | 2 | 6 | 3.5 | CNC(=O)c1ccc(NC(=O)C2CCN(c3ncnc4sc(C)c(C)c34)CC2)cc1 | 10.1016/j.bmcl.2016.05.010 | ||
| CHEMBL1455259 | 37415 | 5 | None | 48 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 423 | 4 | 2 | 6 | 3.5 | CNC(=O)c1ccc(NC(=O)C2CCN(c3ncnc4sc(C)c(C)c34)CC2)cc1 | 10.1016/j.bmcl.2016.05.010 | ||
| 137653326 | 158822 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 380 | 3 | 0 | 5 | 4.1 | Cc1ccc(OC2CCN(c3c(C#N)cnc4cc(F)c(F)cc34)CC2)cn1 | 10.1016/j.bmcl.2017.08.043 | ||
| CHEMBL4094821 | 158822 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 380 | 3 | 0 | 5 | 4.1 | Cc1ccc(OC2CCN(c3c(C#N)cnc4cc(F)c(F)cc34)CC2)cn1 | 10.1016/j.bmcl.2017.08.043 | ||
| 18204435 | 37415 | 5 | None | 48 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 423 | 4 | 2 | 6 | 3.5 | CNC(=O)c1ccc(NC(=O)C2CCN(c3ncnc4sc(C)c(C)c34)CC2)cc1 | 10.1016/j.bmcl.2016.05.010 | ||
| CHEMBL1455259 | 37415 | 5 | None | 48 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 423 | 4 | 2 | 6 | 3.5 | CNC(=O)c1ccc(NC(=O)C2CCN(c3ncnc4sc(C)c(C)c34)CC2)cc1 | 10.1016/j.bmcl.2016.05.010 | ||
| 127044078 | 140350 | 0 | None | -1 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 338 | 3 | 0 | 5 | 3.5 | Cc1ccc(OC2CCN(c3ncnc4ccc(F)cc34)CC2)cn1 | 10.1016/j.bmcl.2016.05.010 | ||
| CHEMBL3808485 | 140350 | 0 | None | -1 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 338 | 3 | 0 | 5 | 3.5 | Cc1ccc(OC2CCN(c3ncnc4ccc(F)cc34)CC2)cn1 | 10.1016/j.bmcl.2016.05.010 | ||
| 137657888 | 159665 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 382 | 3 | 0 | 5 | 4.3 | N#Cc1cnc2ccc(F)cc2c1N1CCC(Oc2ccc(Cl)nc2)CC1 | 10.1016/j.bmcl.2017.08.043 | ||
| CHEMBL4104193 | 159665 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 382 | 3 | 0 | 5 | 4.3 | N#Cc1cnc2ccc(F)cc2c1N1CCC(Oc2ccc(Cl)nc2)CC1 | 10.1016/j.bmcl.2017.08.043 | ||
| 89777463 | 158787 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 407 | 4 | 2 | 6 | 4.0 | Cc1nnc2sc(C(=O)NCc3ccc(-c4ccnc(F)c4)cc3)c(N)c2c1C | 10.1016/j.bmcl.2017.04.043 | ||
| CHEMBL4094439 | 158787 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 407 | 4 | 2 | 6 | 4.0 | Cc1nnc2sc(C(=O)NCc3ccc(-c4ccnc(F)c4)cc3)c(N)c2c1C | 10.1016/j.bmcl.2017.04.043 | ||
| 71683155 | 157168 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 411 | 3 | 2 | 7 | 2.8 | Cc1cccc(OC(=O)N2CC(NC(=O)c3sc4nnc(C)c(C)c4c3N)C2)c1 | 10.1016/j.bmcl.2017.05.014 | ||
| CHEMBL4075751 | 157168 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 411 | 3 | 2 | 7 | 2.8 | Cc1cccc(OC(=O)N2CC(NC(=O)c3sc4nnc(C)c(C)c4c3N)C2)c1 | 10.1016/j.bmcl.2017.05.014 | ||
| 156016804 | 177698 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 403 | 4 | 1 | 5 | 3.5 | CCc1c2cc(C(=O)NC3CN(c4cc(Cl)ncc4Cl)C3)ccc2nn1C | 10.1016/j.bmcl.2019.126812 | ||
| CHEMBL4642310 | 177698 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 403 | 4 | 1 | 5 | 3.5 | CCc1c2cc(C(=O)NC3CN(c4cc(Cl)ncc4Cl)C3)ccc2nn1C | 10.1016/j.bmcl.2019.126812 | ||
| 145975343 | 163656 | 0 | None | - | 1 | Rat | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 400 | 3 | 1 | 4 | 4.2 | Cc1cc(C)c2cc(C(=O)NC3CN(c4ncc(Cl)cc4Cl)C3)ccc2n1 | 10.1016/j.bmcl.2017.10.016 | ||
| CHEMBL4204738 | 163656 | 0 | None | - | 1 | Rat | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 400 | 3 | 1 | 4 | 4.2 | Cc1cc(C)c2cc(C(=O)NC3CN(c4ncc(Cl)cc4Cl)C3)ccc2n1 | 10.1016/j.bmcl.2017.10.016 | ||
| 155544229 | 173348 | 0 | None | 3 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 283 | 2 | 1 | 5 | 3.1 | Cc1cc(C)c2c(N)c(C(=O)c3ccncc3)sc2n1 | 10.1016/j.bmcl.2016.07.042 | ||
| CHEMBL4527640 | 173348 | 0 | None | 3 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 283 | 2 | 1 | 5 | 3.1 | Cc1cc(C)c2c(N)c(C(=O)c3ccncc3)sc2n1 | 10.1016/j.bmcl.2016.07.042 | ||
| 45501063 | 157184 | 10 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 418 | 5 | 1 | 5 | 3.8 | COc1ccccc1CNC(=O)C1CCN(c2c(C#N)cnc3ccc(F)cc23)CC1 | 10.1016/j.bmcl.2017.08.043 | ||
| CHEMBL4076022 | 157184 | 10 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 418 | 5 | 1 | 5 | 3.8 | COc1ccccc1CNC(=O)C1CCN(c2c(C#N)cnc3ccc(F)cc23)CC1 | 10.1016/j.bmcl.2017.08.043 | ||
| 145975343 | 163656 | 0 | None | - | 1 | Rat | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 400 | 3 | 1 | 4 | 4.2 | Cc1cc(C)c2cc(C(=O)NC3CN(c4ncc(Cl)cc4Cl)C3)ccc2n1 | 10.1016/j.bmcl.2017.10.016 | ||
| CHEMBL4204738 | 163656 | 0 | None | - | 1 | Rat | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 400 | 3 | 1 | 4 | 4.2 | Cc1cc(C)c2cc(C(=O)NC3CN(c4ncc(Cl)cc4Cl)C3)ccc2n1 | 10.1016/j.bmcl.2017.10.016 | ||
| 155544229 | 173348 | 0 | None | 3 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 283 | 2 | 1 | 5 | 3.1 | Cc1cc(C)c2c(N)c(C(=O)c3ccncc3)sc2n1 | 10.1016/j.bmcl.2016.07.042 | ||
| CHEMBL4527640 | 173348 | 0 | None | 3 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 283 | 2 | 1 | 5 | 3.1 | Cc1cc(C)c2c(N)c(C(=O)c3ccncc3)sc2n1 | 10.1016/j.bmcl.2016.07.042 | ||
| 117916866 | 174857 | 0 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 352 | 3 | 1 | 4 | 4.1 | Cc1cc(C)c2c(C)c(C(=O)NCc3ccc4c(c3)CCO4)sc2n1 | 10.1016/j.bmcl.2018.12.039 | ||
| CHEMBL4563934 | 174857 | 0 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 352 | 3 | 1 | 4 | 4.1 | Cc1cc(C)c2c(C)c(C(=O)NCc3ccc4c(c3)CCO4)sc2n1 | 10.1016/j.bmcl.2018.12.039 | ||
| 156017788 | 177791 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 338 | 4 | 1 | 7 | 2.7 | COc1ccc(CNc2ncnc3c2ccc2nnn(C)c23)cc1F | 10.1016/j.bmcl.2019.126811 | ||
| CHEMBL4643687 | 177791 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 338 | 4 | 1 | 7 | 2.7 | COc1ccc(CNc2ncnc3c2ccc2nnn(C)c23)cc1F | 10.1016/j.bmcl.2019.126811 | ||
| 3652 | 4066 | 79 | None | -8 | 15 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/acsmedchemlett.9b00106 | ||
| 57 | 4066 | 79 | None | -8 | 15 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/acsmedchemlett.9b00106 | ||
| 60809 | 4066 | 79 | None | -8 | 15 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/acsmedchemlett.9b00106 | ||
| CHEMBL21536 | 4066 | 79 | None | -8 | 15 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/acsmedchemlett.9b00106 | ||
| DB15357 | 4066 | 79 | None | -8 | 15 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/acsmedchemlett.9b00106 | ||
| 3652 | 4066 | 79 | None | -8 | 15 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm100697g | ||
| 57 | 4066 | 79 | None | -8 | 15 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm100697g | ||
| 60809 | 4066 | 79 | None | -8 | 15 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm100697g | ||
| CHEMBL21536 | 4066 | 79 | None | -8 | 15 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm100697g | ||
| DB15357 | 4066 | 79 | None | -8 | 15 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm100697g | ||
| 86292822 | 171144 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 381 | 3 | 1 | 8 | 3.6 | Cc1nnc2sc3c(NCc4ccc5c(c4)OCCO5)nn(C)c3c2c1C | 10.1016/j.bmcl.2018.12.039 | ||
| CHEMBL4458844 | 171144 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 381 | 3 | 1 | 8 | 3.6 | Cc1nnc2sc3c(NCc4ccc5c(c4)OCCO5)nn(C)c3c2c1C | 10.1016/j.bmcl.2018.12.039 | ||
| 134207680 | 173557 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 378 | 2 | 2 | 7 | 2.4 | Cc1nc2cc(C)c3c(N)c(C(=O)NC4Cc5cccnc5C4)sc3n2n1 | 10.1016/j.bmcl.2019.06.032 | ||
| CHEMBL4532897 | 173557 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 378 | 2 | 2 | 7 | 2.4 | Cc1nc2cc(C)c3c(N)c(C(=O)NC4Cc5cccnc5C4)sc3n2n1 | 10.1016/j.bmcl.2019.06.032 | ||
| 162652818 | 180354 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 324 | 2 | 2 | 5 | 2.5 | Cc1cnnc2sc(C(=O)NC3Cc4ccccc4C3)c(N)c12 | 10.1016/j.bmcl.2019.05.026 | ||
| CHEMBL4751679 | 180354 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 324 | 2 | 2 | 5 | 2.5 | Cc1cnnc2sc(C(=O)NC3Cc4ccccc4C3)c(N)c12 | 10.1016/j.bmcl.2019.05.026 | ||
| 134265583 | 181984 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 443 | 3 | 2 | 8 | 2.7 | Cc1c(Cl)nnc2sc(C(=O)NC3CN(c4ncc(C(F)(F)F)cn4)C3)c(N)c12 | 10.1016/j.bmcl.2019.05.026 | ||
| CHEMBL4780651 | 181984 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 443 | 3 | 2 | 8 | 2.7 | Cc1c(Cl)nnc2sc(C(=O)NC3CN(c4ncc(C(F)(F)F)cn4)C3)c(N)c12 | 10.1016/j.bmcl.2019.05.026 | ||
| 89777143 | 153818 | 0 | None | -5 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 358 | 4 | 2 | 6 | 3.5 | CSc1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1 | 10.1016/j.bmcl.2016.11.086 | ||
| CHEMBL3982695 | 153818 | 0 | None | -5 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 358 | 4 | 2 | 6 | 3.5 | CSc1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1 | 10.1016/j.bmcl.2016.11.086 | ||
| 89777143 | 153818 | 0 | None | -5 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 358 | 4 | 2 | 6 | 3.5 | CSc1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1 | 10.1016/j.bmcl.2016.11.086 | ||
| CHEMBL3982695 | 153818 | 0 | None | -5 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 358 | 4 | 2 | 6 | 3.5 | CSc1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1 | 10.1016/j.bmcl.2016.11.086 | ||
| 127044078 | 140350 | 0 | None | -1 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 338 | 3 | 0 | 5 | 3.5 | Cc1ccc(OC2CCN(c3ncnc4ccc(F)cc34)CC2)cn1 | 10.1016/j.bmcl.2016.05.010 | ||
| CHEMBL3808485 | 140350 | 0 | None | -1 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 338 | 3 | 0 | 5 | 3.5 | Cc1ccc(OC2CCN(c3ncnc4ccc(F)cc34)CC2)cn1 | 10.1016/j.bmcl.2016.05.010 | ||
| 127043635 | 140404 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 354 | 3 | 0 | 6 | 4.1 | Cc1ccc(OC2CCN(c3ncnc4sc(C)c(C)c34)CC2)cn1 | 10.1016/j.bmcl.2016.05.010 | ||
| CHEMBL3809096 | 140404 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 354 | 3 | 0 | 6 | 4.1 | Cc1ccc(OC2CCN(c3ncnc4sc(C)c(C)c34)CC2)cn1 | 10.1016/j.bmcl.2016.05.010 | ||
| 53382520 | 86285 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 360 | 3 | 2 | 5 | 4.0 | Cc1nc2sc(C(=O)NC(C)c3ccncc3)c(N)c2c(C)c1Cl | 10.1016/j.bmcl.2012.10.073 | ||
| CHEMBL2313378 | 86285 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 360 | 3 | 2 | 5 | 4.0 | Cc1nc2sc(C(=O)NC(C)c3ccncc3)c(N)c2c(C)c1Cl | 10.1016/j.bmcl.2012.10.073 | ||
| 973723 | 15246 | 12 | None | - | 1 | Rat | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 263 | 2 | 2 | 4 | 2.6 | Cc1cc(C)c2c(N)c(C(=O)NC(C)C)sc2n1 | 10.1038/nchembio.2007.55 | ||
| CHEMBL1212982 | 15246 | 12 | None | - | 1 | Rat | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 263 | 2 | 2 | 4 | 2.6 | Cc1cc(C)c2c(N)c(C(=O)NC(C)C)sc2n1 | 10.1038/nchembio.2007.55 | ||
| 2551 | 791 | 23 | None | -4 | 13 | Human | 4.2 | pEC50 | = | 4.2 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm960683m | ||
| 298 | 791 | 23 | None | -4 | 13 | Human | 4.2 | pEC50 | = | 4.2 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm960683m | ||
| 488 | 791 | 23 | None | -4 | 13 | Human | 4.2 | pEC50 | = | 4.2 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm960683m | ||
| CHEMBL965 | 791 | 23 | None | -4 | 13 | Human | 4.2 | pEC50 | = | 4.2 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm960683m | ||
| DB00411 | 791 | 23 | None | -4 | 13 | Human | 4.2 | pEC50 | = | 4.2 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm960683m | ||
| 89777146 | 159653 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 381 | 3 | 2 | 6 | 2.1 | Cc1nnc2sc(C(=O)NC3CN(C(=O)c4ccccc4)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.05.014 | ||
| CHEMBL4104033 | 159653 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 381 | 3 | 2 | 6 | 2.1 | Cc1nnc2sc(C(=O)NC3CN(C(=O)c4ccccc4)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.05.014 | ||
| 127043635 | 140404 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 354 | 3 | 0 | 6 | 4.1 | Cc1ccc(OC2CCN(c3ncnc4sc(C)c(C)c34)CC2)cn1 | 10.1016/j.bmcl.2016.05.010 | ||
| CHEMBL3809096 | 140404 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 354 | 3 | 0 | 6 | 4.1 | Cc1ccc(OC2CCN(c3ncnc4sc(C)c(C)c34)CC2)cn1 | 10.1016/j.bmcl.2016.05.010 | ||
| 53382520 | 86285 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 360 | 3 | 2 | 5 | 4.0 | Cc1nc2sc(C(=O)NC(C)c3ccncc3)c(N)c2c(C)c1Cl | 10.1016/j.bmcl.2012.10.073 | ||
| CHEMBL2313378 | 86285 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 360 | 3 | 2 | 5 | 4.0 | Cc1nc2sc(C(=O)NC(C)c3ccncc3)c(N)c2c(C)c1Cl | 10.1016/j.bmcl.2012.10.073 | ||
| 53382524 | 86286 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 360 | 3 | 2 | 5 | 3.8 | Cc1cc(CNC(=O)c2sc3nc(C)c(Cl)c(C)c3c2N)ccn1 | 10.1016/j.bmcl.2012.10.073 | ||
| CHEMBL2313379 | 86286 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 360 | 3 | 2 | 5 | 3.8 | Cc1cc(CNC(=O)c2sc3nc(C)c(Cl)c(C)c3c2N)ccn1 | 10.1016/j.bmcl.2012.10.073 | ||
| 53382524 | 86286 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 360 | 3 | 2 | 5 | 3.8 | Cc1cc(CNC(=O)c2sc3nc(C)c(Cl)c(C)c3c2N)ccn1 | 10.1016/j.bmcl.2012.10.073 | ||
| CHEMBL2313379 | 86286 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 360 | 3 | 2 | 5 | 3.8 | Cc1cc(CNC(=O)c2sc3nc(C)c(Cl)c(C)c3c2N)ccn1 | 10.1016/j.bmcl.2012.10.073 | ||
| CHEMBL5085621 | 214953 | 0 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | None | None | None | Cc1cc(C)c2c(n1)sc1c(C3CCNCC3)ncnc12 | 10.1016/j.bmcl.2021.128416 | ||||
| 135126264 | 164495 | 0 | None | - | 1 | Rat | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 391 | 5 | 1 | 6 | 3.0 | Cc1cc(C)c2cc(C(=O)NC3CN(c4ncc(OC(C)C)cn4)C3)ccc2n1 | 10.1016/j.bmcl.2017.10.016 | ||
| CHEMBL4214822 | 164495 | 0 | None | - | 1 | Rat | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 391 | 5 | 1 | 6 | 3.0 | Cc1cc(C)c2cc(C(=O)NC3CN(c4ncc(OC(C)C)cn4)C3)ccc2n1 | 10.1016/j.bmcl.2017.10.016 | ||
| 137633344 | 156281 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 375 | 3 | 1 | 5 | 3.5 | N#Cc1cnc2ccc(F)cc2c1N1CCC(C(=O)Nc2cccnc2)CC1 | 10.1016/j.bmcl.2017.08.043 | ||
| CHEMBL4065477 | 156281 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 375 | 3 | 1 | 5 | 3.5 | N#Cc1cnc2ccc(F)cc2c1N1CCC(C(=O)Nc2cccnc2)CC1 | 10.1016/j.bmcl.2017.08.043 | ||
| 45501064 | 156334 | 12 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 418 | 5 | 1 | 5 | 3.8 | COc1ccc(CNC(=O)C2CCN(c3c(C#N)cnc4ccc(F)cc34)CC2)cc1 | 10.1016/j.bmcl.2017.08.043 | ||
| CHEMBL4065963 | 156334 | 12 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 418 | 5 | 1 | 5 | 3.8 | COc1ccc(CNC(=O)C2CCN(c3c(C#N)cnc4ccc(F)cc34)CC2)cc1 | 10.1016/j.bmcl.2017.08.043 | ||
| 55485382 | 140381 | 5 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 450 | 4 | 2 | 6 | 3.7 | Cc1sc2ncnc(N3CCC(C(=O)Nc4ccc(N5CCNC5=O)cc4)CC3)c2c1C | 10.1016/j.bmcl.2016.05.010 | ||
| CHEMBL3808847 | 140381 | 5 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 450 | 4 | 2 | 6 | 3.7 | Cc1sc2ncnc(N3CCC(C(=O)Nc4ccc(N5CCNC5=O)cc4)CC3)c2c1C | 10.1016/j.bmcl.2016.05.010 | ||
| 135126264 | 164495 | 0 | None | - | 1 | Rat | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 391 | 5 | 1 | 6 | 3.0 | Cc1cc(C)c2cc(C(=O)NC3CN(c4ncc(OC(C)C)cn4)C3)ccc2n1 | 10.1016/j.bmcl.2017.10.016 | ||
| CHEMBL4214822 | 164495 | 0 | None | - | 1 | Rat | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 391 | 5 | 1 | 6 | 3.0 | Cc1cc(C)c2cc(C(=O)NC3CN(c4ncc(OC(C)C)cn4)C3)ccc2n1 | 10.1016/j.bmcl.2017.10.016 | ||
| 137633344 | 156281 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 375 | 3 | 1 | 5 | 3.5 | N#Cc1cnc2ccc(F)cc2c1N1CCC(C(=O)Nc2cccnc2)CC1 | 10.1016/j.bmcl.2017.08.043 | ||
| CHEMBL4065477 | 156281 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 375 | 3 | 1 | 5 | 3.5 | N#Cc1cnc2ccc(F)cc2c1N1CCC(C(=O)Nc2cccnc2)CC1 | 10.1016/j.bmcl.2017.08.043 | ||
| 156017195 | 177672 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 371 | 3 | 2 | 5 | 2.4 | Cc1c2c(N)c(C(=O)NC3CN(c4ccc(F)c(F)c4)C3)ccc2nn1C | 10.1016/j.bmcl.2019.126811 | ||
| CHEMBL4642005 | 177672 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 371 | 3 | 2 | 5 | 2.4 | Cc1c2c(N)c(C(=O)NC3CN(c4ccc(F)c(F)c4)C3)ccc2nn1C | 10.1016/j.bmcl.2019.126811 | ||
| 87057214 | 176123 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 287 | 3 | 1 | 6 | 3.0 | Cc1nnc2sc3c(NCC4CC4)nn(C)c3c2c1C | 10.1016/j.bmcl.2018.12.039 | ||
| CHEMBL4592523 | 176123 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 287 | 3 | 1 | 6 | 3.0 | Cc1nnc2sc3c(NCC4CC4)nn(C)c3c2c1C | 10.1016/j.bmcl.2018.12.039 | ||
| 134207689 | 176108 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 440 | 3 | 2 | 10 | 2.4 | Cc1nc2cc(C)c3c(N)c(C(=O)NC4CN(c5nnc(C(C)(C)C)o5)C4)sc3n2n1 | 10.1016/j.bmcl.2019.06.032 | ||
| CHEMBL4592120 | 176108 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 440 | 3 | 2 | 10 | 2.4 | Cc1nc2cc(C)c3c(N)c(C(=O)NC4CN(c5nnc(C(C)(C)C)o5)C4)sc3n2n1 | 10.1016/j.bmcl.2019.06.032 | ||
| 3263 | 3994 | 58 | None | -1 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 341 | 4 | 2 | 5 | 3.4 | COc1ccc(cc1)CNC(=O)c1sc2c(c1N)c(C)cc(n2)C | 10.1016/j.bmcl.2012.10.073 | ||
| 864492 | 3994 | 58 | None | -1 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 341 | 4 | 2 | 5 | 3.4 | COc1ccc(cc1)CNC(=O)c1sc2c(c1N)c(C)cc(n2)C | 10.1016/j.bmcl.2012.10.073 | ||
| CHEMBL1978713 | 3994 | 58 | None | -1 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 341 | 4 | 2 | 5 | 3.4 | COc1ccc(cc1)CNC(=O)c1sc2c(c1N)c(C)cc(n2)C | 10.1016/j.bmcl.2012.10.073 | ||
| CHEMBL5089728 | 215201 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | None | None | None | Cc1cc(C)c2c(n1)sc1c(C3CCN(C(=O)C4CC4)CC3)ncnc12 | 10.1016/j.bmcl.2021.128416 | ||||
| 55485382 | 140381 | 5 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 450 | 4 | 2 | 6 | 3.7 | Cc1sc2ncnc(N3CCC(C(=O)Nc4ccc(N5CCNC5=O)cc4)CC3)c2c1C | 10.1016/j.bmcl.2016.05.010 | ||
| CHEMBL3808847 | 140381 | 5 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 450 | 4 | 2 | 6 | 3.7 | Cc1sc2ncnc(N3CCC(C(=O)Nc4ccc(N5CCNC5=O)cc4)CC3)c2c1C | 10.1016/j.bmcl.2016.05.010 | ||
| 156012048 | 177379 | 0 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 355 | 3 | 2 | 7 | 1.0 | Cc1c2c(N)c(C(=O)NC3CN(c4ncc(F)cn4)C3)ccc2nn1C | 10.1016/j.bmcl.2019.126811 | ||
| CHEMBL4638318 | 177379 | 0 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 355 | 3 | 2 | 7 | 1.0 | Cc1c2c(N)c(C(=O)NC3CN(c4ncc(F)cn4)C3)ccc2nn1C | 10.1016/j.bmcl.2019.126811 | ||
| 156010237 | 177017 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 267 | 1 | 0 | 5 | 2.4 | Cc1c2c(ccc3c(N4CCCC4)ncnc32)nn1C | 10.1016/j.bmcl.2019.126811 | ||
| CHEMBL4632514 | 177017 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 267 | 1 | 0 | 5 | 2.4 | Cc1c2c(ccc3c(N4CCCC4)ncnc32)nn1C | 10.1016/j.bmcl.2019.126811 | ||
| 156015762 | 177520 | 0 | None | 2 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 400 | 3 | 1 | 8 | 2.9 | Cn1nnc2ccc3c(NC4CN(c5cc(Cl)ncc5Cl)C4)ncnc3c21 | 10.1016/j.bmcl.2019.126811 | ||
| CHEMBL4640254 | 177520 | 0 | None | 2 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 400 | 3 | 1 | 8 | 2.9 | Cn1nnc2ccc3c(NC4CN(c5cc(Cl)ncc5Cl)C4)ncnc3c21 | 10.1016/j.bmcl.2019.126811 | ||
| 89777104 | 159099 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 389 | 4 | 2 | 6 | 3.9 | Cc1nnc2sc(C(=O)NCc3ccc(-c4cccnc4)cc3)c(N)c2c1C | 10.1016/j.bmcl.2017.04.043 | ||
| CHEMBL4097819 | 159099 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 389 | 4 | 2 | 6 | 3.9 | Cc1nnc2sc(C(=O)NCc3ccc(-c4cccnc4)cc3)c(N)c2c1C | 10.1016/j.bmcl.2017.04.043 | ||
| 89777437 | 159488 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 407 | 4 | 2 | 6 | 4.0 | Cc1nnc2sc(C(=O)NCc3ccc(-c4ccc(F)nc4)cc3)c(N)c2c1C | 10.1016/j.bmcl.2017.04.043 | ||
| CHEMBL4102040 | 159488 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 407 | 4 | 2 | 6 | 4.0 | Cc1nnc2sc(C(=O)NCc3ccc(-c4ccc(F)nc4)cc3)c(N)c2c1C | 10.1016/j.bmcl.2017.04.043 | ||
| 16123945 | 80430 | 12 | None | -125 | 5 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 315 | 2 | 1 | 4 | 2.5 | Cc1ccc2[nH]c(=O)n(C3CCN(C4CCOCC4)CC3)c2c1 | 10.1021/ml100105x | ||
| CHEMBL2146599 | 80430 | 12 | None | -125 | 5 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 315 | 2 | 1 | 4 | 2.5 | Cc1ccc2[nH]c(=O)n(C3CCN(C4CCOCC4)CC3)c2c1 | 10.1021/ml100105x | ||
| 137647278 | 157899 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 444 | 3 | 0 | 5 | 4.1 | COc1ccc2c(c1)CCN(C(=O)C1CCN(c3c(C#N)cnc4ccc(F)cc34)CC1)C2 | 10.1016/j.bmcl.2017.08.043 | ||
| CHEMBL4084404 | 157899 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 444 | 3 | 0 | 5 | 4.1 | COc1ccc2c(c1)CCN(C(=O)C1CCN(c3c(C#N)cnc4ccc(F)cc34)CC1)C2 | 10.1016/j.bmcl.2017.08.043 | ||
| 12301 | 4016 | 30 | None | -7 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 444 | 4 | 2 | 7 | 3.1 | Cc1c(nnc2c1c(c(s2)C(=O)NCc1ccc(cc1)S(=O)(=O)C(F)(F)F)N)C | 10.1016/j.bmcl.2016.11.086 | ||
| 73774630 | 4016 | 30 | None | -7 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 444 | 4 | 2 | 7 | 3.1 | Cc1c(nnc2c1c(c(s2)C(=O)NCc1ccc(cc1)S(=O)(=O)C(F)(F)F)N)C | 10.1016/j.bmcl.2016.11.086 | ||
| CHEMBL3915634 | 4016 | 30 | None | -7 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 444 | 4 | 2 | 7 | 3.1 | Cc1c(nnc2c1c(c(s2)C(=O)NCc1ccc(cc1)S(=O)(=O)C(F)(F)F)N)C | 10.1016/j.bmcl.2016.11.086 | ||
| 53002537 | 157041 | 1 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 368 | 2 | 0 | 5 | 2.3 | N#Cc1cnc2ccc(F)cc2c1N1CCC(C(=O)N2CCOCC2)CC1 | 10.1016/j.bmcl.2017.08.043 | ||
| CHEMBL4074092 | 157041 | 1 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 368 | 2 | 0 | 5 | 2.3 | N#Cc1cnc2ccc(F)cc2c1N1CCC(C(=O)N2CCOCC2)CC1 | 10.1016/j.bmcl.2017.08.043 | ||
| 12301 | 4016 | 30 | None | -7 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 444 | 4 | 2 | 7 | 3.1 | Cc1c(nnc2c1c(c(s2)C(=O)NCc1ccc(cc1)S(=O)(=O)C(F)(F)F)N)C | 10.1016/j.bmcl.2016.11.086 | ||
| 73774630 | 4016 | 30 | None | -7 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 444 | 4 | 2 | 7 | 3.1 | Cc1c(nnc2c1c(c(s2)C(=O)NCc1ccc(cc1)S(=O)(=O)C(F)(F)F)N)C | 10.1016/j.bmcl.2016.11.086 | ||
| CHEMBL3915634 | 4016 | 30 | None | -7 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 444 | 4 | 2 | 7 | 3.1 | Cc1c(nnc2c1c(c(s2)C(=O)NCc1ccc(cc1)S(=O)(=O)C(F)(F)F)N)C | 10.1016/j.bmcl.2016.11.086 | ||
| 89777437 | 159488 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 407 | 4 | 2 | 6 | 4.0 | Cc1nnc2sc(C(=O)NCc3ccc(-c4ccc(F)nc4)cc3)c(N)c2c1C | 10.1016/j.bmcl.2017.04.043 | ||
| CHEMBL4102040 | 159488 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 407 | 4 | 2 | 6 | 4.0 | Cc1nnc2sc(C(=O)NCc3ccc(-c4ccc(F)nc4)cc3)c(N)c2c1C | 10.1016/j.bmcl.2017.04.043 | ||
| 117916898 | 173290 | 0 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 388 | 4 | 1 | 5 | 3.6 | Cc1cc(C)c2c(C)c(C(=O)NCc3ccc(S(C)(=O)=O)cc3)sc2n1 | 10.1016/j.bmcl.2018.12.039 | ||
| CHEMBL4526215 | 173290 | 0 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 388 | 4 | 1 | 5 | 3.6 | Cc1cc(C)c2c(C)c(C(=O)NCc3ccc(S(C)(=O)=O)cc3)sc2n1 | 10.1016/j.bmcl.2018.12.039 | ||
| 53002537 | 157041 | 1 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 368 | 2 | 0 | 5 | 2.3 | N#Cc1cnc2ccc(F)cc2c1N1CCC(C(=O)N2CCOCC2)CC1 | 10.1016/j.bmcl.2017.08.043 | ||
| CHEMBL4074092 | 157041 | 1 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 368 | 2 | 0 | 5 | 2.3 | N#Cc1cnc2ccc(F)cc2c1N1CCC(C(=O)N2CCOCC2)CC1 | 10.1016/j.bmcl.2017.08.043 | ||
| 155539604 | 172820 | 0 | None | 2 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 313 | 3 | 1 | 6 | 3.1 | COc1ccc(C(=O)c2sc3nnc(C)c(C)c3c2N)cc1 | 10.1016/j.bmcl.2016.07.042 | ||
| CHEMBL4514671 | 172820 | 0 | None | 2 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 313 | 3 | 1 | 6 | 3.1 | COc1ccc(C(=O)c2sc3nnc(C)c(C)c3c2N)cc1 | 10.1016/j.bmcl.2016.07.042 | ||
| 49674582 | 156046 | 11 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 414 | 2 | 0 | 4 | 4.0 | N#Cc1cnc2ccc(F)cc2c1N1CCC(C(=O)N2CCc3ccccc3C2)CC1 | 10.1016/j.bmcl.2017.08.043 | ||
| CHEMBL4062718 | 156046 | 11 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 414 | 2 | 0 | 4 | 4.0 | N#Cc1cnc2ccc(F)cc2c1N1CCC(C(=O)N2CCc3ccccc3C2)CC1 | 10.1016/j.bmcl.2017.08.043 | ||
| 155539604 | 172820 | 0 | None | 2 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 313 | 3 | 1 | 6 | 3.1 | COc1ccc(C(=O)c2sc3nnc(C)c(C)c3c2N)cc1 | 10.1016/j.bmcl.2016.07.042 | ||
| CHEMBL4514671 | 172820 | 0 | None | 2 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 313 | 3 | 1 | 6 | 3.1 | COc1ccc(C(=O)c2sc3nnc(C)c(C)c3c2N)cc1 | 10.1016/j.bmcl.2016.07.042 | ||
| 137647278 | 157899 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 444 | 3 | 0 | 5 | 4.1 | COc1ccc2c(c1)CCN(C(=O)C1CCN(c3c(C#N)cnc4ccc(F)cc34)CC1)C2 | 10.1016/j.bmcl.2017.08.043 | ||
| CHEMBL4084404 | 157899 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 444 | 3 | 0 | 5 | 4.1 | COc1ccc2c(c1)CCN(C(=O)C1CCN(c3c(C#N)cnc4ccc(F)cc34)CC1)C2 | 10.1016/j.bmcl.2017.08.043 | ||
| 45501063 | 157184 | 10 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 418 | 5 | 1 | 5 | 3.8 | COc1ccccc1CNC(=O)C1CCN(c2c(C#N)cnc3ccc(F)cc23)CC1 | 10.1016/j.bmcl.2017.08.043 | ||
| CHEMBL4076022 | 157184 | 10 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 418 | 5 | 1 | 5 | 3.8 | COc1ccccc1CNC(=O)C1CCN(c2c(C#N)cnc3ccc(F)cc23)CC1 | 10.1016/j.bmcl.2017.08.043 | ||
| 49674582 | 156046 | 11 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 414 | 2 | 0 | 4 | 4.0 | N#Cc1cnc2ccc(F)cc2c1N1CCC(C(=O)N2CCc3ccccc3C2)CC1 | 10.1016/j.bmcl.2017.08.043 | ||
| CHEMBL4062718 | 156046 | 11 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 414 | 2 | 0 | 4 | 4.0 | N#Cc1cnc2ccc(F)cc2c1N1CCC(C(=O)N2CCc3ccccc3C2)CC1 | 10.1016/j.bmcl.2017.08.043 | ||
| 156014753 | 177227 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 389 | 3 | 1 | 5 | 3.2 | Cc1nc2ccc(C(=O)NC3CN(c4cc(Cl)ncc4Cl)C3)cc2n1C | 10.1016/j.bmcl.2019.126812 | ||
| CHEMBL4635969 | 177227 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 389 | 3 | 1 | 5 | 3.2 | Cc1nc2ccc(C(=O)NC3CN(c4cc(Cl)ncc4Cl)C3)cc2n1C | 10.1016/j.bmcl.2019.126812 | ||
| CHEMBL5086464 | 215008 | 0 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | None | None | None | Cc1cc(C)c2c(n1)sc1c(NC3CN(c4ncc(C(F)(F)F)cn4)C3)ncnc12 | 10.1016/j.bmcl.2021.128416 | ||||
| 45501064 | 156334 | 12 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 418 | 5 | 1 | 5 | 3.8 | COc1ccc(CNC(=O)C2CCN(c3c(C#N)cnc4ccc(F)cc34)CC2)cc1 | 10.1016/j.bmcl.2017.08.043 | ||
| CHEMBL4065963 | 156334 | 12 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 418 | 5 | 1 | 5 | 3.8 | COc1ccc(CNC(=O)C2CCN(c3c(C#N)cnc4ccc(F)cc34)CC2)cc1 | 10.1016/j.bmcl.2017.08.043 | ||
| 53382516 | 86288 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 360 | 3 | 2 | 5 | 4.0 | Cc1nc2sc(C(=O)NC(C)c3cccnc3)c(N)c2c(C)c1Cl | 10.1016/j.bmcl.2012.10.073 | ||
| CHEMBL2313381 | 86288 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 360 | 3 | 2 | 5 | 4.0 | Cc1nc2sc(C(=O)NC(C)c3cccnc3)c(N)c2c(C)c1Cl | 10.1016/j.bmcl.2012.10.073 | ||
| 25067048 | 12301 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | 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 | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | 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 | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | 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 | ||
| 71683155 | 157168 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 411 | 3 | 2 | 7 | 2.8 | Cc1cccc(OC(=O)N2CC(NC(=O)c3sc4nnc(C)c(C)c4c3N)C2)c1 | 10.1016/j.bmcl.2017.05.014 | ||
| CHEMBL4075751 | 157168 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 411 | 3 | 2 | 7 | 2.8 | Cc1cccc(OC(=O)N2CC(NC(=O)c3sc4nnc(C)c(C)c4c3N)C2)c1 | 10.1016/j.bmcl.2017.05.014 | ||
| 162665373 | 182315 | 0 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 425 | 3 | 3 | 9 | 1.7 | Cc1c(O)nnc2sc(C(=O)NC3CN(c4ncc(C(F)(F)F)cn4)C3)c(N)c12 | 10.1016/j.bmcl.2019.05.026 | ||
| CHEMBL4784478 | 182315 | 0 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 425 | 3 | 3 | 9 | 1.7 | Cc1c(O)nnc2sc(C(=O)NC3CN(c4ncc(C(F)(F)F)cn4)C3)c(N)c12 | 10.1016/j.bmcl.2019.05.026 | ||
| 156010821 | 177040 | 0 | None | 1 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 376 | 3 | 1 | 6 | 2.3 | Cn1nnc2ccc(C(=O)NC3CN(c4cc(Cl)ncc4Cl)C3)cc21 | 10.1016/j.bmcl.2019.126811 | ||
| 156010821 | 177040 | 0 | None | 1 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 376 | 3 | 1 | 6 | 2.3 | Cn1nnc2ccc(C(=O)NC3CN(c4cc(Cl)ncc4Cl)C3)cc21 | 10.1016/j.bmcl.2019.126812 | ||
| CHEMBL4632855 | 177040 | 0 | None | 1 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 376 | 3 | 1 | 6 | 2.3 | Cn1nnc2ccc(C(=O)NC3CN(c4cc(Cl)ncc4Cl)C3)cc21 | 10.1016/j.bmcl.2019.126811 | ||
| CHEMBL4632855 | 177040 | 0 | None | 1 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 376 | 3 | 1 | 6 | 2.3 | Cn1nnc2ccc(C(=O)NC3CN(c4cc(Cl)ncc4Cl)C3)cc21 | 10.1016/j.bmcl.2019.126812 | ||
| 53382516 | 86288 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 360 | 3 | 2 | 5 | 4.0 | Cc1nc2sc(C(=O)NC(C)c3cccnc3)c(N)c2c(C)c1Cl | 10.1016/j.bmcl.2012.10.073 | ||
| CHEMBL2313381 | 86288 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 360 | 3 | 2 | 5 | 4.0 | Cc1nc2sc(C(=O)NC(C)c3cccnc3)c(N)c2c(C)c1Cl | 10.1016/j.bmcl.2012.10.073 | ||
| CHEMBL5092998 | 215376 | 0 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | None | None | None | Cc1cc(C)c2c(n1)sc1c(C3CCCCC3)ncnc12 | 10.1016/j.bmcl.2021.128416 | ||||
| 3263 | 3994 | 58 | None | -1 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 341 | 4 | 2 | 5 | 3.4 | COc1ccc(cc1)CNC(=O)c1sc2c(c1N)c(C)cc(n2)C | 10.1016/j.bmcl.2018.12.039 | ||
| 864492 | 3994 | 58 | None | -1 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 341 | 4 | 2 | 5 | 3.4 | COc1ccc(cc1)CNC(=O)c1sc2c(c1N)c(C)cc(n2)C | 10.1016/j.bmcl.2018.12.039 | ||
| CHEMBL1978713 | 3994 | 58 | None | -1 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 341 | 4 | 2 | 5 | 3.4 | COc1ccc(cc1)CNC(=O)c1sc2c(c1N)c(C)cc(n2)C | 10.1016/j.bmcl.2018.12.039 | ||
| 87057213 | 175729 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 313 | 3 | 1 | 7 | 3.4 | Cc1nnc2sc3c(NCc4ccco4)nn(C)c3c2c1C | 10.1016/j.bmcl.2018.12.039 | ||
| CHEMBL4583475 | 175729 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 313 | 3 | 1 | 7 | 3.4 | Cc1nnc2sc3c(NCc4ccco4)nn(C)c3c2c1C | 10.1016/j.bmcl.2018.12.039 | ||
| 127043638 | 140401 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 351 | 3 | 0 | 4 | 4.4 | Cc1ccc(OC2CCN(c3cc(C)nc4ccc(F)cc34)CC2)cn1 | 10.1016/j.bmcl.2016.05.010 | ||
| CHEMBL3809076 | 140401 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 351 | 3 | 0 | 4 | 4.4 | Cc1ccc(OC2CCN(c3cc(C)nc4ccc(F)cc34)CC2)cn1 | 10.1016/j.bmcl.2016.05.010 | ||
| 672747 | 172880 | 13 | None | -1 | 2 | Rat | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 316 | 2 | 1 | 4 | 4.4 | Cc1nc2sc(C(=O)c3ccccc3)c(N)c2c(C)c1Cl | 10.1016/j.bmcl.2016.07.042 | ||
| CHEMBL4516088 | 172880 | 13 | None | -1 | 2 | Rat | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 316 | 2 | 1 | 4 | 4.4 | Cc1nc2sc(C(=O)c3ccccc3)c(N)c2c(C)c1Cl | 10.1016/j.bmcl.2016.07.042 | ||
| 127043638 | 140401 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 351 | 3 | 0 | 4 | 4.4 | Cc1ccc(OC2CCN(c3cc(C)nc4ccc(F)cc34)CC2)cn1 | 10.1016/j.bmcl.2016.05.010 | ||
| CHEMBL3809076 | 140401 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 351 | 3 | 0 | 4 | 4.4 | Cc1ccc(OC2CCN(c3cc(C)nc4ccc(F)cc34)CC2)cn1 | 10.1016/j.bmcl.2016.05.010 | ||
| 672747 | 172880 | 13 | None | -1 | 2 | Rat | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 316 | 2 | 1 | 4 | 4.4 | Cc1nc2sc(C(=O)c3ccccc3)c(N)c2c(C)c1Cl | 10.1016/j.bmcl.2016.07.042 | ||
| CHEMBL4516088 | 172880 | 13 | None | -1 | 2 | Rat | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 316 | 2 | 1 | 4 | 4.4 | Cc1nc2sc(C(=O)c3ccccc3)c(N)c2c(C)c1Cl | 10.1016/j.bmcl.2016.07.042 | ||
| 155539410 | 172836 | 0 | None | 58 | 2 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 412 | 4 | 0 | 6 | 3.4 | c1ccc(-n2ccnc2[C@H]2[C@H]3CN(C4CC5(CCN(c6cnccn6)C5)C4)C[C@H]32)cc1 | 10.1021/acsmedchemlett.9b00106 | ||
| CHEMBL4515088 | 172836 | 0 | None | 58 | 2 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 412 | 4 | 0 | 6 | 3.4 | c1ccc(-n2ccnc2[C@H]2[C@H]3CN(C4CC5(CCN(c6cnccn6)C5)C4)C[C@H]32)cc1 | 10.1021/acsmedchemlett.9b00106 | ||
| 162667825 | 182491 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 426 | 3 | 2 | 7 | 3.0 | Cc1c(Cl)nnc2sc(C(=O)NC3CN(c4ccnc(F)c4Cl)C3)c(N)c12 | 10.1016/j.bmcl.2019.05.026 | ||
| CHEMBL4787099 | 182491 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 426 | 3 | 2 | 7 | 3.0 | Cc1c(Cl)nnc2sc(C(=O)NC3CN(c4ccnc(F)c4Cl)C3)c(N)c12 | 10.1016/j.bmcl.2019.05.026 | ||
| 56592932 | 76030 | 1 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 305 | 3 | 2 | 4 | 3.7 | COc1ccc(C)c2sc(NC(=O)NC3CCCC3)nc12 | 10.1016/j.bmcl.2012.05.109 | ||
| CHEMBL2057406 | 76030 | 1 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 305 | 3 | 2 | 4 | 3.7 | COc1ccc(C)c2sc(NC(=O)NC3CCCC3)nc12 | 10.1016/j.bmcl.2012.05.109 | ||
| 16757564 | 15249 | 0 | None | - | 1 | Rat | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 379 | 3 | 2 | 4 | 4.4 | Cc1cc(C)c2c(N)c(C(=O)NCc3ccc(C(F)(F)F)cc3)sc2n1 | 10.1038/nchembio.2007.55 | ||
| CHEMBL1212992 | 15249 | 0 | None | - | 1 | Rat | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 379 | 3 | 2 | 4 | 4.4 | Cc1cc(C)c2c(N)c(C(=O)NCc3ccc(C(F)(F)F)cc3)sc2n1 | 10.1038/nchembio.2007.55 | ||
| 89777050 | 164200 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 338 | 2 | 1 | 5 | 3.1 | Cc1nnc2sc(C(=O)N3CC(c4ccccc4)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.10.053 | ||
| CHEMBL4211076 | 164200 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 338 | 2 | 1 | 5 | 3.1 | Cc1nnc2sc(C(=O)N3CC(c4ccccc4)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.10.053 | ||
| 89777050 | 164200 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 338 | 2 | 1 | 5 | 3.1 | Cc1nnc2sc(C(=O)N3CC(c4ccccc4)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.10.053 | ||
| CHEMBL4211076 | 164200 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 338 | 2 | 1 | 5 | 3.1 | Cc1nnc2sc(C(=O)N3CC(c4ccccc4)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.10.053 | ||
| 156015582 | 177519 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 407 | 3 | 1 | 5 | 3.3 | Cc1c2cc(C(=O)NC3CN(c4cc(Cl)ncc4Cl)C3)c(F)cc2nn1C | 10.1016/j.bmcl.2019.126812 | ||
| CHEMBL4640242 | 177519 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 407 | 3 | 1 | 5 | 3.3 | Cc1c2cc(C(=O)NC3CN(c4cc(Cl)ncc4Cl)C3)c(F)cc2nn1C | 10.1016/j.bmcl.2019.126812 | ||
| 137659727 | 159174 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 355 | 3 | 2 | 8 | 1.3 | Cc1nnc2sc(C(=O)NC3CN(c4cnccn4)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.05.014 | ||
| CHEMBL4098593 | 159174 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 355 | 3 | 2 | 8 | 1.3 | Cc1nnc2sc(C(=O)NC3CN(c4cnccn4)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.05.014 | ||
| 156017640 | 177798 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 389 | 3 | 1 | 5 | 3.2 | Cc1nn(C)c2ccc(C(=O)NC3CN(c4cc(Cl)ncc4Cl)C3)cc12 | 10.1016/j.bmcl.2019.126812 | ||
| CHEMBL4643858 | 177798 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 389 | 3 | 1 | 5 | 3.2 | Cc1nn(C)c2ccc(C(=O)NC3CN(c4cc(Cl)ncc4Cl)C3)cc12 | 10.1016/j.bmcl.2019.126812 | ||
| 155540233 | 172881 | 0 | None | 3 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 325 | 2 | 2 | 6 | 3.1 | Nc1c(C(=O)c2ccncc2)sc2nc(O)c3c(c12)CCCC3 | 10.1016/j.bmcl.2016.07.042 | ||
| CHEMBL4516136 | 172881 | 0 | None | 3 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 325 | 2 | 2 | 6 | 3.1 | Nc1c(C(=O)c2ccncc2)sc2nc(O)c3c(c12)CCCC3 | 10.1016/j.bmcl.2016.07.042 | ||
| 137646732 | 157768 | 0 | None | 12 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 422 | 3 | 2 | 7 | 2.9 | Cc1nnc2sc(C(=O)NC3CN(c4ccc(C(F)(F)F)nc4)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.05.014 | ||
| CHEMBL4083081 | 157768 | 0 | None | 12 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 422 | 3 | 2 | 7 | 2.9 | Cc1nnc2sc(C(=O)NC3CN(c4ccc(C(F)(F)F)nc4)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.05.014 | ||
| 155553146 | 174053 | 0 | None | 5 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 424 | 6 | 1 | 8 | 2.7 | Nc1c(C(=O)c2ccncc2)sc2nc(OCCN3CCOCC3)c3c(c12)CCC3 | 10.1016/j.bmcl.2016.07.042 | ||
| CHEMBL4544318 | 174053 | 0 | None | 5 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 424 | 6 | 1 | 8 | 2.7 | Nc1c(C(=O)c2ccncc2)sc2nc(OCCN3CCOCC3)c3c(c12)CCC3 | 10.1016/j.bmcl.2016.07.042 | ||
| 682264 | 40180 | 15 | None | 1 | 2 | Rat | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 296 | 2 | 1 | 4 | 4.0 | Cc1nc2sc(C(=O)c3ccccc3)c(N)c2c(C)c1C | 10.1016/j.bmcl.2016.07.042 | ||
| CHEMBL1480401 | 40180 | 15 | None | 1 | 2 | Rat | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 296 | 2 | 1 | 4 | 4.0 | Cc1nc2sc(C(=O)c3ccccc3)c(N)c2c(C)c1C | 10.1016/j.bmcl.2016.07.042 | ||
| 137646732 | 157768 | 0 | None | 12 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 422 | 3 | 2 | 7 | 2.9 | Cc1nnc2sc(C(=O)NC3CN(c4ccc(C(F)(F)F)nc4)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.05.014 | ||
| CHEMBL4083081 | 157768 | 0 | None | 12 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 422 | 3 | 2 | 7 | 2.9 | Cc1nnc2sc(C(=O)NC3CN(c4ccc(C(F)(F)F)nc4)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.05.014 | ||
| CHEMBL5083633 | 214854 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | None | None | None | COCC1CN(c2ncnc3c2sc2nc(C)cc(C)c23)C1 | 10.1016/j.bmcl.2021.128416 | ||||
| 53382542 | 86284 | 0 | None | 1 | 6 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 295 | 2 | 2 | 4 | 3.0 | Cc1nc2sc(C(=O)NC3CC3)c(N)c2c(C)c1Cl | 10.1016/j.bmcl.2012.10.073 | ||
| CHEMBL2313377 | 86284 | 0 | None | 1 | 6 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 295 | 2 | 2 | 4 | 3.0 | Cc1nc2sc(C(=O)NC3CC3)c(N)c2c(C)c1Cl | 10.1016/j.bmcl.2012.10.073 | ||
| 53382542 | 86284 | 0 | None | 1 | 6 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 295 | 2 | 2 | 4 | 3.0 | Cc1nc2sc(C(=O)NC3CC3)c(N)c2c(C)c1Cl | 10.1016/j.bmcl.2012.10.073 | ||
| CHEMBL2313377 | 86284 | 0 | None | 1 | 6 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 295 | 2 | 2 | 4 | 3.0 | Cc1nc2sc(C(=O)NC3CC3)c(N)c2c(C)c1Cl | 10.1016/j.bmcl.2012.10.073 | ||
| 89777146 | 159653 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 381 | 3 | 2 | 6 | 2.1 | Cc1nnc2sc(C(=O)NC3CN(C(=O)c4ccccc4)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.05.014 | ||
| CHEMBL4104033 | 159653 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 381 | 3 | 2 | 6 | 2.1 | Cc1nnc2sc(C(=O)NC3CN(C(=O)c4ccccc4)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.05.014 | ||
| 89777513 | 156163 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 421 | 4 | 2 | 6 | 4.3 | Cc1cc(-c2ccc(CNC(=O)c3sc4nnc(C)c(C)c4c3N)cc2)cnc1F | 10.1016/j.bmcl.2017.04.043 | ||
| CHEMBL4064060 | 156163 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 421 | 4 | 2 | 6 | 4.3 | Cc1cc(-c2ccc(CNC(=O)c3sc4nnc(C)c(C)c4c3N)cc2)cnc1F | 10.1016/j.bmcl.2017.04.043 | ||
| 56592911 | 76092 | 0 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 262 | 3 | 1 | 4 | 2.5 | COc1ccc(C)c2sc(C(=O)NC3CC3)nc12 | 10.1016/j.bmcl.2012.05.109 | ||
| CHEMBL2057683 | 76092 | 0 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 262 | 3 | 1 | 4 | 2.5 | COc1ccc(C)c2sc(C(=O)NC3CC3)nc12 | 10.1016/j.bmcl.2012.05.109 | ||
| 137659727 | 159174 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 355 | 3 | 2 | 8 | 1.3 | Cc1nnc2sc(C(=O)NC3CN(c4cnccn4)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.05.014 | ||
| CHEMBL4098593 | 159174 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 355 | 3 | 2 | 8 | 1.3 | Cc1nnc2sc(C(=O)NC3CN(c4cnccn4)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.05.014 | ||
| 42598357 | 16073 | 0 | None | -251 | 5 | Human | 6.1 | pEC50 | = | 6.1 | 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 | -251 | 5 | Human | 6.1 | pEC50 | = | 6.1 | 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 | ||
| 25207745 | 16094 | 0 | None | -79 | 5 | Human | 6.1 | pEC50 | = | 6.1 | 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 | -79 | 5 | Human | 6.1 | pEC50 | = | 6.1 | 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 | ||
| 134207720 | 175540 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 411 | 2 | 2 | 6 | 3.7 | Cc1c(Cl)c2nnc(C)n2c2sc(C(=O)NC3Cc4ccccc4C3)c(N)c12 | 10.1016/j.bmcl.2019.06.032 | ||
| CHEMBL4579086 | 175540 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 411 | 2 | 2 | 6 | 3.7 | Cc1c(Cl)c2nnc(C)n2c2sc(C(=O)NC3Cc4ccccc4C3)c(N)c12 | 10.1016/j.bmcl.2019.06.032 | ||
| 137631537 | 156376 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 388 | 3 | 2 | 7 | 2.6 | Cc1nnc2sc(C(=O)NC3CN(c4ccncc4Cl)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.05.014 | ||
| CHEMBL4066508 | 156376 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 388 | 3 | 2 | 7 | 2.6 | Cc1nnc2sc(C(=O)NC3CN(c4ccncc4Cl)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.05.014 | ||
| 137631537 | 156376 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 388 | 3 | 2 | 7 | 2.6 | Cc1nnc2sc(C(=O)NC3CN(c4ccncc4Cl)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.05.014 | ||
| CHEMBL4066508 | 156376 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 388 | 3 | 2 | 7 | 2.6 | Cc1nnc2sc(C(=O)NC3CN(c4ccncc4Cl)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.05.014 | ||
| 89777239 | 163929 | 24 | None | -1 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 360 | 4 | 2 | 6 | 3.0 | COc1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1F | 10.1016/j.bmcl.2018.12.039 | ||
| CHEMBL4207737 | 163929 | 24 | None | -1 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 360 | 4 | 2 | 6 | 3.0 | COc1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1F | 10.1016/j.bmcl.2018.12.039 | ||
| CHEMBL5268842 | 163929 | 24 | None | -1 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 360 | 4 | 2 | 6 | 3.0 | COc1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1F | 10.1016/j.bmcl.2018.12.039 | ||
| 53382482 | 86298 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 389 | 3 | 2 | 6 | 3.8 | Cc1nc2sc(C(=O)NCc3ccc4c(c3)OCO4)c(N)c2c(C)c1Cl | 10.1016/j.bmcl.2012.10.073 | ||
| CHEMBL2313391 | 86298 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 389 | 3 | 2 | 6 | 3.8 | Cc1nc2sc(C(=O)NCc3ccc4c(c3)OCO4)c(N)c2c(C)c1Cl | 10.1016/j.bmcl.2012.10.073 | ||
| 53382482 | 86298 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 389 | 3 | 2 | 6 | 3.8 | Cc1nc2sc(C(=O)NCc3ccc4c(c3)OCO4)c(N)c2c(C)c1Cl | 10.1016/j.bmcl.2012.10.073 | ||
| CHEMBL2313391 | 86298 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 389 | 3 | 2 | 6 | 3.8 | Cc1nc2sc(C(=O)NCc3ccc4c(c3)OCO4)c(N)c2c(C)c1Cl | 10.1016/j.bmcl.2012.10.073 | ||
| 53382503 | 86296 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 347 | 3 | 2 | 6 | 2.9 | Cc1nc2sc(C(=O)NCc3ncccn3)c(N)c2c(C)c1Cl | 10.1016/j.bmcl.2012.10.073 | ||
| CHEMBL2313389 | 86296 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 347 | 3 | 2 | 6 | 2.9 | Cc1nc2sc(C(=O)NCc3ncccn3)c(N)c2c(C)c1Cl | 10.1016/j.bmcl.2012.10.073 | ||
| 127043631 | 140441 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 376 | 2 | 0 | 6 | 3.1 | Cc1sc2ncnc(N3CCC(C(=O)N4CCSCC4)CC3)c2c1C | 10.1016/j.bmcl.2016.05.010 | ||
| CHEMBL3809482 | 140441 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 376 | 2 | 0 | 6 | 3.1 | Cc1sc2ncnc(N3CCC(C(=O)N4CCSCC4)CC3)c2c1C | 10.1016/j.bmcl.2016.05.010 | ||
| 53382503 | 86296 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 347 | 3 | 2 | 6 | 2.9 | Cc1nc2sc(C(=O)NCc3ncccn3)c(N)c2c(C)c1Cl | 10.1016/j.bmcl.2012.10.073 | ||
| CHEMBL2313389 | 86296 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 347 | 3 | 2 | 6 | 2.9 | Cc1nc2sc(C(=O)NCc3ncccn3)c(N)c2c(C)c1Cl | 10.1016/j.bmcl.2012.10.073 | ||
| 145974738 | 164714 | 0 | None | - | 1 | Rat | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 400 | 3 | 1 | 4 | 3.9 | Cc1cc(C)c2cc(C(=O)NC3CN(c4ccnc(C(F)(F)F)c4)C3)ccc2n1 | 10.1016/j.bmcl.2017.10.016 | ||
| CHEMBL4217609 | 164714 | 0 | None | - | 1 | Rat | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 400 | 3 | 1 | 4 | 3.9 | Cc1cc(C)c2cc(C(=O)NC3CN(c4ccnc(C(F)(F)F)c4)C3)ccc2n1 | 10.1016/j.bmcl.2017.10.016 | ||
| 156017866 | 177879 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 391 | 3 | 2 | 7 | 1.6 | Cn1nnc2ccc(C(=O)NC3CN(c4ccnc(C(F)(F)F)c4)C3)c(N)c21 | 10.1016/j.bmcl.2019.126811 | ||
| CHEMBL4644929 | 177879 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 391 | 3 | 2 | 7 | 1.6 | Cn1nnc2ccc(C(=O)NC3CN(c4ccnc(C(F)(F)F)c4)C3)c(N)c21 | 10.1016/j.bmcl.2019.126811 | ||
| 127043631 | 140441 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 376 | 2 | 0 | 6 | 3.1 | Cc1sc2ncnc(N3CCC(C(=O)N4CCSCC4)CC3)c2c1C | 10.1016/j.bmcl.2016.05.010 | ||
| CHEMBL3809482 | 140441 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 376 | 2 | 0 | 6 | 3.1 | Cc1sc2ncnc(N3CCC(C(=O)N4CCSCC4)CC3)c2c1C | 10.1016/j.bmcl.2016.05.010 | ||
| 156012231 | 177380 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 268 | 2 | 1 | 6 | 2.3 | Cn1nnc2ccc3c(NC4CCCC4)ncnc3c21 | 10.1016/j.bmcl.2019.126811 | ||
| CHEMBL4638335 | 177380 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 268 | 2 | 1 | 6 | 2.3 | Cn1nnc2ccc3c(NC4CCCC4)ncnc3c21 | 10.1016/j.bmcl.2019.126811 | ||
| 145974738 | 164714 | 0 | None | - | 1 | Rat | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 400 | 3 | 1 | 4 | 3.9 | Cc1cc(C)c2cc(C(=O)NC3CN(c4ccnc(C(F)(F)F)c4)C3)ccc2n1 | 10.1016/j.bmcl.2017.10.016 | ||
| CHEMBL4217609 | 164714 | 0 | None | - | 1 | Rat | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 400 | 3 | 1 | 4 | 3.9 | Cc1cc(C)c2cc(C(=O)NC3CN(c4ccnc(C(F)(F)F)c4)C3)ccc2n1 | 10.1016/j.bmcl.2017.10.016 | ||
| 89777468 | 156503 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 420 | 5 | 2 | 8 | 3.3 | COc1ncc(-c2ccc(CNC(=O)c3sc4nnc(C)c(C)c4c3N)cc2)cn1 | 10.1016/j.bmcl.2017.04.043 | ||
| CHEMBL4067974 | 156503 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 420 | 5 | 2 | 8 | 3.3 | COc1ncc(-c2ccc(CNC(=O)c3sc4nnc(C)c(C)c4c3N)cc2)cn1 | 10.1016/j.bmcl.2017.04.043 | ||
| 134207679 | 171775 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 381 | 4 | 2 | 7 | 3.1 | COc1ccc(CNC(=O)c2sc3c(c(C)cc4nc(C)nn43)c2N)cc1 | 10.1016/j.bmcl.2019.06.032 | ||
| CHEMBL4468120 | 171775 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 381 | 4 | 2 | 7 | 3.1 | COc1ccc(CNC(=O)c2sc3c(c(C)cc4nc(C)nn43)c2N)cc1 | 10.1016/j.bmcl.2019.06.032 | ||
| 89777468 | 156503 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 420 | 5 | 2 | 8 | 3.3 | COc1ncc(-c2ccc(CNC(=O)c3sc4nnc(C)c(C)c4c3N)cc2)cn1 | 10.1016/j.bmcl.2017.04.043 | ||
| CHEMBL4067974 | 156503 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 420 | 5 | 2 | 8 | 3.3 | COc1ncc(-c2ccc(CNC(=O)c3sc4nnc(C)c(C)c4c3N)cc2)cn1 | 10.1016/j.bmcl.2017.04.043 | ||
| 71792 | 78377 | 38 | None | -2 | 5 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 165 | 2 | 0 | 2 | 0.7 | C#CCO[C@H]1CN2CCC1CC2 | 10.1016/j.bmcl.2015.08.011 | ||
| CHEMBL2111051 | 78377 | 38 | None | -2 | 5 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 165 | 2 | 0 | 2 | 0.7 | C#CCO[C@H]1CN2CCC1CC2 | 10.1016/j.bmcl.2015.08.011 | ||
| 53382544 | 86293 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 360 | 4 | 2 | 5 | 3.5 | Cc1nc2sc(C(=O)NCCc3ccccn3)c(N)c2c(C)c1Cl | 10.1016/j.bmcl.2012.10.073 | ||
| CHEMBL2313386 | 86293 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 360 | 4 | 2 | 5 | 3.5 | Cc1nc2sc(C(=O)NCCc3ccccn3)c(N)c2c(C)c1Cl | 10.1016/j.bmcl.2012.10.073 | ||
| 156020885 | 178139 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 281 | 2 | 1 | 5 | 3.2 | Cc1c2c(ccc3c(NC4CCCC4)ncnc32)nn1C | 10.1016/j.bmcl.2019.126811 | ||
| CHEMBL4649056 | 178139 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 281 | 2 | 1 | 5 | 3.2 | Cc1c2c(ccc3c(NC4CCCC4)ncnc32)nn1C | 10.1016/j.bmcl.2019.126811 | ||
| 156013305 | 177468 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 390 | 3 | 1 | 6 | 2.7 | Cc1nc2ncc(C(=O)NC3CN(c4cc(Cl)ncc4Cl)C3)cn2c1C | 10.1016/j.bmcl.2019.126812 | ||
| CHEMBL4639394 | 177468 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 390 | 3 | 1 | 6 | 2.7 | Cc1nc2ncc(C(=O)NC3CN(c4cc(Cl)ncc4Cl)C3)cn2c1C | 10.1016/j.bmcl.2019.126812 | ||
| CHEMBL5078961 | 214573 | 1 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | None | None | None | Cc1cc(C)c2c(n1)sc1c(NC3CCC3)nccc12 | 10.1016/j.bmcl.2021.128416 | ||||
| 30299339 | 140361 | 2 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 444 | 4 | 1 | 7 | 3.6 | Cc1sc2ncnc(N3CCC(C(=O)Nc4ccc(S(C)(=O)=O)cc4)CC3)c2c1C | 10.1016/j.bmcl.2016.05.010 | ||
| CHEMBL3808592 | 140361 | 2 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 444 | 4 | 1 | 7 | 3.6 | Cc1sc2ncnc(N3CCC(C(=O)Nc4ccc(S(C)(=O)=O)cc4)CC3)c2c1C | 10.1016/j.bmcl.2016.05.010 | ||
| 145965320 | 164333 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 352 | 2 | 1 | 5 | 3.4 | Cc1cccc(C2CN(C(=O)c3sc4nnc(C)c(C)c4c3N)C2)c1 | 10.1016/j.bmcl.2017.10.053 | ||
| CHEMBL4212735 | 164333 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 352 | 2 | 1 | 5 | 3.4 | Cc1cccc(C2CN(C(=O)c3sc4nnc(C)c(C)c4c3N)C2)c1 | 10.1016/j.bmcl.2017.10.053 | ||
| 145965320 | 164333 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 352 | 2 | 1 | 5 | 3.4 | Cc1cccc(C2CN(C(=O)c3sc4nnc(C)c(C)c4c3N)C2)c1 | 10.1016/j.bmcl.2017.10.053 | ||
| CHEMBL4212735 | 164333 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 352 | 2 | 1 | 5 | 3.4 | Cc1cccc(C2CN(C(=O)c3sc4nnc(C)c(C)c4c3N)C2)c1 | 10.1016/j.bmcl.2017.10.053 | ||
| 30299339 | 140361 | 2 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 444 | 4 | 1 | 7 | 3.6 | Cc1sc2ncnc(N3CCC(C(=O)Nc4ccc(S(C)(=O)=O)cc4)CC3)c2c1C | 10.1016/j.bmcl.2016.05.010 | ||
| CHEMBL3808592 | 140361 | 2 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 444 | 4 | 1 | 7 | 3.6 | Cc1sc2ncnc(N3CCC(C(=O)Nc4ccc(S(C)(=O)=O)cc4)CC3)c2c1C | 10.1016/j.bmcl.2016.05.010 | ||
| 53382544 | 86293 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 360 | 4 | 2 | 5 | 3.5 | Cc1nc2sc(C(=O)NCCc3ccccn3)c(N)c2c(C)c1Cl | 10.1016/j.bmcl.2012.10.073 | ||
| CHEMBL2313386 | 86293 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 360 | 4 | 2 | 5 | 3.5 | Cc1nc2sc(C(=O)NCCc3ccccn3)c(N)c2c(C)c1Cl | 10.1016/j.bmcl.2012.10.073 | ||
| 145978470 | 163578 | 0 | None | - | 1 | Rat | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 367 | 3 | 1 | 3 | 3.7 | Cc1cc(C)c2cc(C(=O)NC3CN(c4ccc(F)c(F)c4)C3)ccc2n1 | 10.1016/j.bmcl.2017.10.016 | ||
| CHEMBL4203579 | 163578 | 0 | None | - | 1 | Rat | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 367 | 3 | 1 | 3 | 3.7 | Cc1cc(C)c2cc(C(=O)NC3CN(c4ccc(F)c(F)c4)C3)ccc2n1 | 10.1016/j.bmcl.2017.10.016 | ||
| 145978470 | 163578 | 0 | None | - | 1 | Rat | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 367 | 3 | 1 | 3 | 3.7 | Cc1cc(C)c2cc(C(=O)NC3CN(c4ccc(F)c(F)c4)C3)ccc2n1 | 10.1016/j.bmcl.2017.10.016 | ||
| CHEMBL4203579 | 163578 | 0 | None | - | 1 | Rat | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 367 | 3 | 1 | 3 | 3.7 | Cc1cc(C)c2cc(C(=O)NC3CN(c4ccc(F)c(F)c4)C3)ccc2n1 | 10.1016/j.bmcl.2017.10.016 | ||
| 122195090 | 124071 | 0 | None | -6 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 412 | 4 | 1 | 4 | 3.5 | CCOC(=O)N1[C@H]2CC[C@@H]1C[C@@H](CN1CC[C@@H](N3Cc4ccccc4NC3=O)C1)C2 | 10.1016/j.bmcl.2015.09.032 | ||
| CHEMBL3633184 | 124071 | 0 | None | -6 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 412 | 4 | 1 | 4 | 3.5 | CCOC(=O)N1[C@H]2CC[C@@H]1C[C@@H](CN1CC[C@@H](N3Cc4ccccc4NC3=O)C1)C2 | 10.1016/j.bmcl.2015.09.032 | ||
| 155521109 | 170516 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 364 | 2 | 2 | 7 | 2.1 | Cc1cc2ncnn2c2sc(C(=O)NC3Cc4cccnc4C3)c(N)c12 | 10.1016/j.bmcl.2019.06.032 | ||
| CHEMBL4449879 | 170516 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 364 | 2 | 2 | 7 | 2.1 | Cc1cc2ncnn2c2sc(C(=O)NC3Cc4cccnc4C3)c(N)c12 | 10.1016/j.bmcl.2019.06.032 | ||
| 137653737 | 158670 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 375 | 3 | 1 | 5 | 3.5 | N#Cc1cnc2ccc(F)cc2c1N1CCC(C(=O)Nc2ccccn2)CC1 | 10.1016/j.bmcl.2017.08.043 | ||
| CHEMBL4093138 | 158670 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 375 | 3 | 1 | 5 | 3.5 | N#Cc1cnc2ccc(F)cc2c1N1CCC(C(=O)Nc2ccccn2)CC1 | 10.1016/j.bmcl.2017.08.043 | ||
| CHEMBL5077425 | 214476 | 0 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | None | None | None | Cc1cc(C)c2c(n1)sc1c(OCc3ccc(C(C)(C)O)cc3)ncnc12 | 10.1016/j.bmcl.2021.128416 | ||||
| 156013700 | 177251 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 361 | 4 | 2 | 6 | 3.7 | Cc1c2c(ccc3c(NCc4ccc(C(C)(C)O)cc4)ncnc32)nn1C | 10.1016/j.bmcl.2019.126811 | ||
| CHEMBL4636269 | 177251 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 361 | 4 | 2 | 6 | 3.7 | Cc1c2c(ccc3c(NCc4ccc(C(C)(C)O)cc4)ncnc32)nn1C | 10.1016/j.bmcl.2019.126811 | ||
| CHEMBL4640311 | 177251 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 361 | 4 | 2 | 6 | 3.7 | Cc1c2c(ccc3c(NCc4ccc(C(C)(C)O)cc4)ncnc32)nn1C | 10.1016/j.bmcl.2019.126811 | ||
| 134207687 | 173409 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 367 | 4 | 2 | 7 | 2.8 | COc1ccc(CNC(=O)c2sc3c(c(C)cc4nncn43)c2N)cc1 | 10.1016/j.bmcl.2019.06.032 | ||
| CHEMBL4528914 | 173409 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 367 | 4 | 2 | 7 | 2.8 | COc1ccc(CNC(=O)c2sc3c(c(C)cc4nncn43)c2N)cc1 | 10.1016/j.bmcl.2019.06.032 | ||
| 683024 | 51276 | 24 | None | 1 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 282 | 2 | 1 | 4 | 3.7 | Cc1cc(C)c2c(N)c(C(=O)c3ccccc3)sc2n1 | 10.1016/j.bmcl.2016.07.042 | ||
| CHEMBL1581020 | 51276 | 24 | None | 1 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 282 | 2 | 1 | 4 | 3.7 | Cc1cc(C)c2c(N)c(C(=O)c3ccccc3)sc2n1 | 10.1016/j.bmcl.2016.07.042 | ||
| 155560153 | 174927 | 0 | None | 3 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 284 | 2 | 1 | 6 | 2.5 | Cc1nnc2sc(C(=O)c3ccncc3)c(N)c2c1C | 10.1016/j.bmcl.2016.07.042 | ||
| CHEMBL4565738 | 174927 | 0 | None | 3 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 284 | 2 | 1 | 6 | 2.5 | Cc1nnc2sc(C(=O)c3ccncc3)c(N)c2c1C | 10.1016/j.bmcl.2016.07.042 | ||
| 683024 | 51276 | 24 | None | 1 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 282 | 2 | 1 | 4 | 3.7 | Cc1cc(C)c2c(N)c(C(=O)c3ccccc3)sc2n1 | 10.1016/j.bmcl.2016.07.042 | ||
| CHEMBL1581020 | 51276 | 24 | None | 1 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 282 | 2 | 1 | 4 | 3.7 | Cc1cc(C)c2c(N)c(C(=O)c3ccccc3)sc2n1 | 10.1016/j.bmcl.2016.07.042 | ||
| 155560153 | 174927 | 0 | None | 3 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 284 | 2 | 1 | 6 | 2.5 | Cc1nnc2sc(C(=O)c3ccncc3)c(N)c2c1C | 10.1016/j.bmcl.2016.07.042 | ||
| CHEMBL4565738 | 174927 | 0 | None | 3 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 284 | 2 | 1 | 6 | 2.5 | Cc1nnc2sc(C(=O)c3ccncc3)c(N)c2c1C | 10.1016/j.bmcl.2016.07.042 | ||
| 45501061 | 156751 | 12 | None | 2 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 388 | 4 | 1 | 4 | 3.8 | N#Cc1cnc2ccc(F)cc2c1N1CCC(C(=O)NCc2ccccc2)CC1 | 10.1016/j.bmcl.2017.08.043 | ||
| CHEMBL4070787 | 156751 | 12 | None | 2 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 388 | 4 | 1 | 4 | 3.8 | N#Cc1cnc2ccc(F)cc2c1N1CCC(C(=O)NCc2ccccc2)CC1 | 10.1016/j.bmcl.2017.08.043 | ||
| 155552304 | 174016 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 373 | 4 | 0 | 5 | 3.3 | CCOC(=O)N1CCC2(CC(N3CCC(c4ncccc4OC)CC3)C2)C1 | 10.1021/acsmedchemlett.9b00106 | ||
| CHEMBL4543638 | 174016 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 373 | 4 | 0 | 5 | 3.3 | CCOC(=O)N1CCC2(CC(N3CCC(c4ncccc4OC)CC3)C2)C1 | 10.1021/acsmedchemlett.9b00106 | ||
| 302 | 2956 | 25 | None | 1 | 8 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | 10.1021/acsmedchemlett.9b00106 | ||
| 4630 | 2956 | 25 | None | 1 | 8 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | 10.1021/acsmedchemlett.9b00106 | ||
| CHEMBL7634 | 2956 | 25 | None | 1 | 8 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | 10.1021/acsmedchemlett.9b00106 | ||
| 44589681 | 185264 | 0 | None | 1 | 5 | Human | 8.0 | pEC50 | = | 8.0 | 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 | 1 | 5 | Human | 8.0 | pEC50 | = | 8.0 | 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 | -4 | 5 | Human | 8.0 | pEC50 | = | 8.0 | 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 | -4 | 5 | Human | 8.0 | pEC50 | = | 8.0 | 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 | ||
| 134263768 | 183117 | 7 | None | -3 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 439 | 4 | 2 | 9 | 2.0 | COc1nnc2sc(C(=O)NC3CN(c4ncc(C(F)(F)F)cn4)C3)c(N)c2c1C | 10.1016/j.bmcl.2019.05.026 | ||
| CHEMBL4795177 | 183117 | 7 | None | -3 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 439 | 4 | 2 | 9 | 2.0 | COc1nnc2sc(C(=O)NC3CN(c4ncc(C(F)(F)F)cn4)C3)c(N)c2c1C | 10.1016/j.bmcl.2019.05.026 | ||
| 162674698 | 183265 | 0 | None | 12 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 423 | 3 | 2 | 8 | 2.3 | Cc1nnc2sc(C(=O)NC3CN(c4ncc(C(F)(F)F)cn4)C3)c(N)c2c1C | 10.1016/j.bmcl.2019.05.026 | ||
| CHEMBL4796921 | 183265 | 0 | None | 12 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 423 | 3 | 2 | 8 | 2.3 | Cc1nnc2sc(C(=O)NC3CN(c4ncc(C(F)(F)F)cn4)C3)c(N)c2c1C | 10.1016/j.bmcl.2019.05.026 | ||
| 137646585 | 157976 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 378 | 3 | 0 | 5 | 4.5 | Cc1ccc(OC2CCN(c3c(C#N)cnc4ccc(Cl)cc34)CC2)cn1 | 10.1016/j.bmcl.2017.08.043 | ||
| CHEMBL4085356 | 157976 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 378 | 3 | 0 | 5 | 4.5 | Cc1ccc(OC2CCN(c3c(C#N)cnc4ccc(Cl)cc34)CC2)cn1 | 10.1016/j.bmcl.2017.08.043 | ||
| 12301 | 4016 | 30 | None | -7 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 444 | 4 | 2 | 7 | 3.1 | Cc1c(nnc2c1c(c(s2)C(=O)NCc1ccc(cc1)S(=O)(=O)C(F)(F)F)N)C | 10.1016/j.bmcl.2017.10.053 | ||
| 73774630 | 4016 | 30 | None | -7 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 444 | 4 | 2 | 7 | 3.1 | Cc1c(nnc2c1c(c(s2)C(=O)NCc1ccc(cc1)S(=O)(=O)C(F)(F)F)N)C | 10.1016/j.bmcl.2017.10.053 | ||
| CHEMBL3915634 | 4016 | 30 | None | -7 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 444 | 4 | 2 | 7 | 3.1 | Cc1c(nnc2c1c(c(s2)C(=O)NCc1ccc(cc1)S(=O)(=O)C(F)(F)F)N)C | 10.1016/j.bmcl.2017.10.053 | ||
| 89777151 | 158549 | 0 | None | -7 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 407 | 4 | 2 | 6 | 4.0 | Cc1nnc2sc(C(=O)NCc3ccc(-c4cccnc4F)cc3)c(N)c2c1C | 10.1016/j.bmcl.2017.04.043 | ||
| CHEMBL4091821 | 158549 | 0 | None | -7 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 407 | 4 | 2 | 6 | 4.0 | Cc1nnc2sc(C(=O)NCc3ccc(-c4cccnc4F)cc3)c(N)c2c1C | 10.1016/j.bmcl.2017.04.043 | ||
| 156020012 | 178072 | 0 | None | 1 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 391 | 3 | 2 | 7 | 1.9 | Cn1nnc2ccc(C(=O)NC3CN(c4cc(Cl)ncc4Cl)C3)c(N)c21 | 10.1016/j.bmcl.2019.126811 | ||
| CHEMBL4647876 | 178072 | 0 | None | 1 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 391 | 3 | 2 | 7 | 1.9 | Cn1nnc2ccc(C(=O)NC3CN(c4cc(Cl)ncc4Cl)C3)c(N)c21 | 10.1016/j.bmcl.2019.126811 | ||
| 137635723 | 156059 | 0 | None | 2 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 411 | 3 | 2 | 9 | 2.5 | Cc1nnc2sc(C(=O)NC3CN(c4nc5cccnc5s4)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.05.014 | ||
| CHEMBL4062934 | 156059 | 0 | None | 2 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 411 | 3 | 2 | 9 | 2.5 | Cc1nnc2sc(C(=O)NC3CN(c4nc5cccnc5s4)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.05.014 | ||
| 89777151 | 158549 | 0 | None | -7 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 407 | 4 | 2 | 6 | 4.0 | Cc1nnc2sc(C(=O)NCc3ccc(-c4cccnc4F)cc3)c(N)c2c1C | 10.1016/j.bmcl.2017.04.043 | ||
| CHEMBL4091821 | 158549 | 0 | None | -7 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 407 | 4 | 2 | 6 | 4.0 | Cc1nnc2sc(C(=O)NCc3ccc(-c4cccnc4F)cc3)c(N)c2c1C | 10.1016/j.bmcl.2017.04.043 | ||
| CHEMBL5074747 | 214308 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | None | None | None | Cc1cc(C)c2c(n1)sc1c(NCc3ccc(C(C)(C)O)cc3)ncnc12 | 10.1016/j.bmcl.2021.128416 | ||||
| 137653737 | 158670 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 375 | 3 | 1 | 5 | 3.5 | N#Cc1cnc2ccc(F)cc2c1N1CCC(C(=O)Nc2ccccn2)CC1 | 10.1016/j.bmcl.2017.08.043 | ||
| CHEMBL4093138 | 158670 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 375 | 3 | 1 | 5 | 3.5 | N#Cc1cnc2ccc(F)cc2c1N1CCC(C(=O)Nc2ccccn2)CC1 | 10.1016/j.bmcl.2017.08.043 | ||
| 137646585 | 157976 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 378 | 3 | 0 | 5 | 4.5 | Cc1ccc(OC2CCN(c3c(C#N)cnc4ccc(Cl)cc34)CC2)cn1 | 10.1016/j.bmcl.2017.08.043 | ||
| CHEMBL4085356 | 157976 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 378 | 3 | 0 | 5 | 4.5 | Cc1ccc(OC2CCN(c3c(C#N)cnc4ccc(Cl)cc34)CC2)cn1 | 10.1016/j.bmcl.2017.08.043 | ||
| 53382541 | 86280 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 366 | 4 | 2 | 5 | 3.4 | Cc1nc2sc(C(=O)NCCC3CCCN3C)c(N)c2c(C)c1Cl | 10.1016/j.bmcl.2012.10.073 | ||
| CHEMBL2313373 | 86280 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 366 | 4 | 2 | 5 | 3.4 | Cc1nc2sc(C(=O)NCCC3CCCN3C)c(N)c2c(C)c1Cl | 10.1016/j.bmcl.2012.10.073 | ||
| 73672762 | 111997 | 0 | None | 3 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 436 | 4 | 0 | 6 | 2.1 | CCOC(=O)N1CCC(CN2CCC3(CC2)CN(S(C)(=O)=O)c2ncccc23)CC1 | 10.1016/j.bmcl.2014.04.083 | ||
| CHEMBL3289440 | 111997 | 0 | None | 3 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 436 | 4 | 0 | 6 | 2.1 | CCOC(=O)N1CCC(CN2CCC3(CC2)CN(S(C)(=O)=O)c2ncccc23)CC1 | 10.1016/j.bmcl.2014.04.083 | ||
| 137645044 | 158080 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 485 | 4 | 2 | 8 | 2.8 | Cc1nnc2sc(C(=O)NC3CN(c4ccc(S(=O)(=O)C(F)(F)F)cc4)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.05.014 | ||
| CHEMBL4086665 | 158080 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 485 | 4 | 2 | 8 | 2.8 | Cc1nnc2sc(C(=O)NC3CN(c4ccc(S(=O)(=O)C(F)(F)F)cc4)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.05.014 | ||
| 137657309 | 159587 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 376 | 3 | 1 | 6 | 2.9 | N#Cc1cnc2ccc(F)cc2c1N1CCC(C(=O)Nc2ccncn2)CC1 | 10.1016/j.bmcl.2017.08.043 | ||
| CHEMBL4103312 | 159587 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 376 | 3 | 1 | 6 | 2.9 | N#Cc1cnc2ccc(F)cc2c1N1CCC(C(=O)Nc2ccncn2)CC1 | 10.1016/j.bmcl.2017.08.043 | ||
| 53382541 | 86280 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 366 | 4 | 2 | 5 | 3.4 | Cc1nc2sc(C(=O)NCCC3CCCN3C)c(N)c2c(C)c1Cl | 10.1016/j.bmcl.2012.10.073 | ||
| CHEMBL2313373 | 86280 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 366 | 4 | 2 | 5 | 3.4 | Cc1nc2sc(C(=O)NCCC3CCCN3C)c(N)c2c(C)c1Cl | 10.1016/j.bmcl.2012.10.073 | ||
| 145963925 | 164303 | 0 | None | - | 1 | Rat | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 366 | 3 | 1 | 4 | 3.5 | Cc1cc(C)c2cc(C(=O)NC3CN(c4ncccc4Cl)C3)ccc2n1 | 10.1016/j.bmcl.2017.10.016 | ||
| CHEMBL4212428 | 164303 | 0 | None | - | 1 | Rat | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 366 | 3 | 1 | 4 | 3.5 | Cc1cc(C)c2cc(C(=O)NC3CN(c4ncccc4Cl)C3)ccc2n1 | 10.1016/j.bmcl.2017.10.016 | ||
| 137645044 | 158080 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 485 | 4 | 2 | 8 | 2.8 | Cc1nnc2sc(C(=O)NC3CN(c4ccc(S(=O)(=O)C(F)(F)F)cc4)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.05.014 | ||
| CHEMBL4086665 | 158080 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 485 | 4 | 2 | 8 | 2.8 | Cc1nnc2sc(C(=O)NC3CN(c4ccc(S(=O)(=O)C(F)(F)F)cc4)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.05.014 | ||
| 145963925 | 164303 | 0 | None | - | 1 | Rat | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 366 | 3 | 1 | 4 | 3.5 | Cc1cc(C)c2cc(C(=O)NC3CN(c4ncccc4Cl)C3)ccc2n1 | 10.1016/j.bmcl.2017.10.016 | ||
| CHEMBL4212428 | 164303 | 0 | None | - | 1 | Rat | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 366 | 3 | 1 | 4 | 3.5 | Cc1cc(C)c2cc(C(=O)NC3CN(c4ncccc4Cl)C3)ccc2n1 | 10.1016/j.bmcl.2017.10.016 | ||
| 137657309 | 159587 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 376 | 3 | 1 | 6 | 2.9 | N#Cc1cnc2ccc(F)cc2c1N1CCC(C(=O)Nc2ccncn2)CC1 | 10.1016/j.bmcl.2017.08.043 | ||
| CHEMBL4103312 | 159587 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 376 | 3 | 1 | 6 | 2.9 | N#Cc1cnc2ccc(F)cc2c1N1CCC(C(=O)Nc2ccncn2)CC1 | 10.1016/j.bmcl.2017.08.043 | ||
| 156009865 | 177086 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 439 | 4 | 1 | 6 | 3.3 | COc1cc(N2CC(NC(=O)c3ccc4nc(C(F)(F)F)n(C)c4c3)C2)c(Cl)cn1 | 10.1016/j.bmcl.2019.126812 | ||
| CHEMBL4633549 | 177086 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 439 | 4 | 1 | 6 | 3.3 | COc1cc(N2CC(NC(=O)c3ccc4nc(C(F)(F)F)n(C)c4c3)C2)c(Cl)cn1 | 10.1016/j.bmcl.2019.126812 | ||
| 155547285 | 173599 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 367 | 4 | 2 | 7 | 2.8 | COc1ccc(CNC(=O)c2sc3c(c(C)cc4ncnn43)c2N)cc1 | 10.1016/j.bmcl.2019.06.032 | ||
| CHEMBL4533756 | 173599 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 367 | 4 | 2 | 7 | 2.8 | COc1ccc(CNC(=O)c2sc3c(c(C)cc4ncnn43)c2N)cc1 | 10.1016/j.bmcl.2019.06.032 | ||
| 45142486 | 52329 | 0 | None | -2 | 2 | Rat | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 440 | 6 | 2 | 6 | 4.4 | Cc1cc(OCc2ccncc2)nc2sc(C(=O)NCc3cccc(F)c3F)c(N)c12 | nan | ||
| CHEMBL1589763 | 52329 | 0 | None | -2 | 2 | Rat | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 440 | 6 | 2 | 6 | 4.4 | Cc1cc(OCc2ccncc2)nc2sc(C(=O)NCc3cccc(F)c3F)c(N)c12 | nan | ||
| 127044078 | 140350 | 0 | None | 1 | 2 | Rat | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 338 | 3 | 0 | 5 | 3.5 | Cc1ccc(OC2CCN(c3ncnc4ccc(F)cc34)CC2)cn1 | 10.1016/j.bmcl.2016.05.010 | ||
| CHEMBL3808485 | 140350 | 0 | None | 1 | 2 | Rat | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 338 | 3 | 0 | 5 | 3.5 | Cc1ccc(OC2CCN(c3ncnc4ccc(F)cc34)CC2)cn1 | 10.1016/j.bmcl.2016.05.010 | ||
| 55661332 | 140430 | 4 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 484 | 3 | 0 | 7 | 3.9 | Cc1sc2ncnc(N3CCC(C(=O)N4CCCc5cc(S(C)(=O)=O)ccc54)CC3)c2c1C | 10.1016/j.bmcl.2016.05.010 | ||
| CHEMBL3809378 | 140430 | 4 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 484 | 3 | 0 | 7 | 3.9 | Cc1sc2ncnc(N3CCC(C(=O)N4CCCc5cc(S(C)(=O)=O)ccc54)CC3)c2c1C | 10.1016/j.bmcl.2016.05.010 | ||
| 156010835 | 177066 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 416 | 5 | 2 | 6 | 4.2 | Cc1c2c(ccc3c(NCc4ccc(C(=O)NCC(C)(C)C)cc4)ncnc32)nn1C | 10.1016/j.bmcl.2019.126811 | ||
| CHEMBL4633191 | 177066 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 416 | 5 | 2 | 6 | 4.2 | Cc1c2c(ccc3c(NCc4ccc(C(=O)NCC(C)(C)C)cc4)ncnc32)nn1C | 10.1016/j.bmcl.2019.126811 | ||
| 55661332 | 140430 | 4 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 484 | 3 | 0 | 7 | 3.9 | Cc1sc2ncnc(N3CCC(C(=O)N4CCCc5cc(S(C)(=O)=O)ccc54)CC3)c2c1C | 10.1016/j.bmcl.2016.05.010 | ||
| CHEMBL3809378 | 140430 | 4 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 484 | 3 | 0 | 7 | 3.9 | Cc1sc2ncnc(N3CCC(C(=O)N4CCCc5cc(S(C)(=O)=O)ccc54)CC3)c2c1C | 10.1016/j.bmcl.2016.05.010 | ||
| 145975851 | 163705 | 0 | None | - | 1 | Rat | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 366 | 3 | 1 | 4 | 3.5 | Cc1cc(C)c2cc(C(=O)NC3CN(c4ccc(Cl)cn4)C3)ccc2n1 | 10.1016/j.bmcl.2017.10.016 | ||
| CHEMBL4205221 | 163705 | 0 | None | - | 1 | Rat | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 366 | 3 | 1 | 4 | 3.5 | Cc1cc(C)c2cc(C(=O)NC3CN(c4ccc(Cl)cn4)C3)ccc2n1 | 10.1016/j.bmcl.2017.10.016 | ||
| 127044539 | 140394 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 362 | 2 | 0 | 5 | 3.1 | Cc1sc2ncnc(N3CCC(C(=O)N4CC[C@H](F)C4)CC3)c2c1C | 10.1016/j.bmcl.2016.05.010 | ||
| CHEMBL3808983 | 140394 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 362 | 2 | 0 | 5 | 3.1 | Cc1sc2ncnc(N3CCC(C(=O)N4CC[C@H](F)C4)CC3)c2c1C | 10.1016/j.bmcl.2016.05.010 | ||
| 127044539 | 140394 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 362 | 2 | 0 | 5 | 3.1 | Cc1sc2ncnc(N3CCC(C(=O)N4CC[C@H](F)C4)CC3)c2c1C | 10.1016/j.bmcl.2016.05.010 | ||
| CHEMBL3808983 | 140394 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 362 | 2 | 0 | 5 | 3.1 | Cc1sc2ncnc(N3CCC(C(=O)N4CC[C@H](F)C4)CC3)c2c1C | 10.1016/j.bmcl.2016.05.010 | ||
| 145975851 | 163705 | 0 | None | - | 1 | Rat | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 366 | 3 | 1 | 4 | 3.5 | Cc1cc(C)c2cc(C(=O)NC3CN(c4ccc(Cl)cn4)C3)ccc2n1 | 10.1016/j.bmcl.2017.10.016 | ||
| CHEMBL4205221 | 163705 | 0 | None | - | 1 | Rat | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 366 | 3 | 1 | 4 | 3.5 | Cc1cc(C)c2cc(C(=O)NC3CN(c4ccc(Cl)cn4)C3)ccc2n1 | 10.1016/j.bmcl.2017.10.016 | ||
| 155561871 | 175801 | 0 | None | - | 1 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 381 | 4 | 0 | 6 | 3.4 | COc1cccnc1C1CCN(C2CCCN(c3cncc(C)n3)CC2)CC1 | 10.1021/acsmedchemlett.9b00106 | ||
| CHEMBL4584879 | 175801 | 0 | None | - | 1 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 381 | 4 | 0 | 6 | 3.4 | COc1cccnc1C1CCN(C2CCCN(c3cncc(C)n3)CC2)CC1 | 10.1021/acsmedchemlett.9b00106 | ||
| 44626302 | 48113 | 0 | None | - | 1 | Rat | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 434 | 7 | 2 | 7 | 4.1 | COc1ccc(CNC(=O)c2sc3nc(OCc4ccncc4)cc(C)c3c2N)cc1 | nan | ||
| CHEMBL1551487 | 48113 | 0 | None | - | 1 | Rat | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 434 | 7 | 2 | 7 | 4.1 | COc1ccc(CNC(=O)c2sc3nc(OCc4ccncc4)cc(C)c3c2N)cc1 | nan | ||
| 155531483 | 171654 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 469 | 4 | 2 | 8 | 3.1 | Cc1cc2nncn2c2sc(C(=O)NCc3ccc(S(=O)(=O)C(F)(F)F)cc3)c(N)c12 | 10.1016/j.bmcl.2019.06.032 | ||
| CHEMBL4466365 | 171654 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 469 | 4 | 2 | 8 | 3.1 | Cc1cc2nncn2c2sc(C(=O)NCc3ccc(S(=O)(=O)C(F)(F)F)cc3)c(N)c12 | 10.1016/j.bmcl.2019.06.032 | ||
| 89777513 | 156163 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 421 | 4 | 2 | 6 | 4.3 | Cc1cc(-c2ccc(CNC(=O)c3sc4nnc(C)c(C)c4c3N)cc2)cnc1F | 10.1016/j.bmcl.2017.04.043 | ||
| CHEMBL4064060 | 156163 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 421 | 4 | 2 | 6 | 4.3 | Cc1cc(-c2ccc(CNC(=O)c3sc4nnc(C)c(C)c4c3N)cc2)cnc1F | 10.1016/j.bmcl.2017.04.043 | ||
| 2551 | 791 | 23 | None | -4 | 13 | Human | 7.0 | pED50 | = | 7 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm960683m | ||
| 298 | 791 | 23 | None | -4 | 13 | Human | 7.0 | pED50 | = | 7 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm960683m | ||
| 488 | 791 | 23 | None | -4 | 13 | Human | 7.0 | pED50 | = | 7 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm960683m | ||
| CHEMBL965 | 791 | 23 | None | -4 | 13 | Human | 7.0 | pED50 | = | 7 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm960683m | ||
| DB00411 | 791 | 23 | None | -4 | 13 | Human | 7.0 | pED50 | = | 7 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm960683m | ||
| 9795428 | 96459 | 5 | None | -1 | 5 | Human | 7.3 | pED50 | = | 7.3 | 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 | -1 | 5 | Human | 7.3 | pED50 | = | 7.3 | Functional | ChEMBL | 270 | 3 | 0 | 4 | 1.8 | COc1cccc(C#CCO/N=C2\CN3CC[C@@H]2C3)c1 | 10.1021/jm960683m | ||
| 5487543 | 205623 | 4 | None | 1 | 6 | Human | 7.0 | pED50 | = | 7.0 | Functional | ChEMBL | 270 | 3 | 0 | 4 | 1.8 | COc1cccc(C#CCO/N=C2\CN3CCC2C3)c1 | 10.1021/jm960683m | ||
| CHEMBL81878 | 205623 | 4 | None | 1 | 6 | Human | 7.0 | pED50 | = | 7.0 | Functional | ChEMBL | 270 | 3 | 0 | 4 | 1.8 | COc1cccc(C#CCO/N=C2\CN3CCC2C3)c1 | 10.1021/jm960683m | ||
| 138578326 | 186204 | 0 | None | 870 | 2 | Human | 9.4 | pIC50 | = | 9.4 | Functional | ChEMBL | 430 | 5 | 1 | 5 | 4.5 | Fc1ccc(Cl)c(-c2ccc(N[C@H]3C[C@@H]4CN(CC5CCOCC5)C[C@@H]4C3)nn2)c1 | 10.1021/acsmedchemlett.1c00363 | ||
| CHEMBL4861863 | 186204 | 0 | None | 870 | 2 | Human | 9.4 | pIC50 | = | 9.4 | Functional | ChEMBL | 430 | 5 | 1 | 5 | 4.5 | Fc1ccc(Cl)c(-c2ccc(N[C@H]3C[C@@H]4CN(CC5CCOCC5)C[C@@H]4C3)nn2)c1 | 10.1021/acsmedchemlett.1c00363 | ||
| CHEMBL4873386 | 186204 | 0 | None | 870 | 2 | Human | 9.4 | pIC50 | = | 9.4 | Functional | ChEMBL | 430 | 5 | 1 | 5 | 4.5 | Fc1ccc(Cl)c(-c2ccc(N[C@H]3C[C@@H]4CN(CC5CCOCC5)C[C@@H]4C3)nn2)c1 | 10.1021/acsmedchemlett.1c00363 | ||
| 138578326 | 186204 | 0 | None | 870 | 2 | Human | 9.4 | pIC50 | = | 9.4 | Functional | ChEMBL | 430 | 5 | 1 | 5 | 4.5 | Fc1ccc(Cl)c(-c2ccc(N[C@H]3C[C@@H]4CN(CC5CCOCC5)C[C@@H]4C3)nn2)c1 | 10.1021/acsmedchemlett.1c00363 | ||
| CHEMBL4861863 | 186204 | 0 | None | 870 | 2 | Human | 9.4 | pIC50 | = | 9.4 | Functional | ChEMBL | 430 | 5 | 1 | 5 | 4.5 | Fc1ccc(Cl)c(-c2ccc(N[C@H]3C[C@@H]4CN(CC5CCOCC5)C[C@@H]4C3)nn2)c1 | 10.1021/acsmedchemlett.1c00363 | ||
| CHEMBL4873386 | 186204 | 0 | None | 870 | 2 | Human | 9.4 | pIC50 | = | 9.4 | Functional | ChEMBL | 430 | 5 | 1 | 5 | 4.5 | Fc1ccc(Cl)c(-c2ccc(N[C@H]3C[C@@H]4CN(CC5CCOCC5)C[C@@H]4C3)nn2)c1 | 10.1021/acsmedchemlett.1c00363 | ||
| 138578326 | 186204 | 0 | None | 870 | 2 | Human | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 430 | 5 | 1 | 5 | 4.5 | Fc1ccc(Cl)c(-c2ccc(N[C@H]3C[C@@H]4CN(CC5CCOCC5)C[C@@H]4C3)nn2)c1 | 10.1021/acsmedchemlett.1c00363 | ||
| CHEMBL4861863 | 186204 | 0 | None | 870 | 2 | Human | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 430 | 5 | 1 | 5 | 4.5 | Fc1ccc(Cl)c(-c2ccc(N[C@H]3C[C@@H]4CN(CC5CCOCC5)C[C@@H]4C3)nn2)c1 | 10.1021/acsmedchemlett.1c00363 | ||
| CHEMBL4873386 | 186204 | 0 | None | 870 | 2 | Human | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 430 | 5 | 1 | 5 | 4.5 | Fc1ccc(Cl)c(-c2ccc(N[C@H]3C[C@@H]4CN(CC5CCOCC5)C[C@@H]4C3)nn2)c1 | 10.1021/acsmedchemlett.1c00363 | ||
| 138578326 | 186204 | 0 | None | 870 | 2 | Human | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 430 | 5 | 1 | 5 | 4.5 | Fc1ccc(Cl)c(-c2ccc(N[C@H]3C[C@@H]4CN(CC5CCOCC5)C[C@@H]4C3)nn2)c1 | 10.1021/acsmedchemlett.1c00363 | ||
| CHEMBL4861863 | 186204 | 0 | None | 870 | 2 | Human | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 430 | 5 | 1 | 5 | 4.5 | Fc1ccc(Cl)c(-c2ccc(N[C@H]3C[C@@H]4CN(CC5CCOCC5)C[C@@H]4C3)nn2)c1 | 10.1021/acsmedchemlett.1c00363 | ||
| CHEMBL4873386 | 186204 | 0 | None | 870 | 2 | Human | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 430 | 5 | 1 | 5 | 4.5 | Fc1ccc(Cl)c(-c2ccc(N[C@H]3C[C@@H]4CN(CC5CCOCC5)C[C@@H]4C3)nn2)c1 | 10.1021/acsmedchemlett.1c00363 | ||
| 156493644 | 185038 | 0 | None | 1737 | 2 | Human | 8.8 | pIC50 | = | 8.8 | Functional | ChEMBL | 435 | 6 | 2 | 6 | 3.7 | CC(=O)Nc1ccc(-c2ccc(N[C@H]3C[C@@H]4CN(CC5CCOCC5)C[C@@H]4C3)nn2)cc1 | 10.1021/acsmedchemlett.1c00363 | ||
| CHEMBL4855467 | 185038 | 0 | None | 1737 | 2 | Human | 8.8 | pIC50 | = | 8.8 | Functional | ChEMBL | 435 | 6 | 2 | 6 | 3.7 | CC(=O)Nc1ccc(-c2ccc(N[C@H]3C[C@@H]4CN(CC5CCOCC5)C[C@@H]4C3)nn2)cc1 | 10.1021/acsmedchemlett.1c00363 | ||
| 156493644 | 185038 | 0 | None | 1737 | 2 | Human | 8.8 | pIC50 | = | 8.8 | Functional | ChEMBL | 435 | 6 | 2 | 6 | 3.7 | CC(=O)Nc1ccc(-c2ccc(N[C@H]3C[C@@H]4CN(CC5CCOCC5)C[C@@H]4C3)nn2)cc1 | 10.1021/acsmedchemlett.1c00363 | ||
| CHEMBL4855467 | 185038 | 0 | None | 1737 | 2 | Human | 8.8 | pIC50 | = | 8.8 | Functional | ChEMBL | 435 | 6 | 2 | 6 | 3.7 | CC(=O)Nc1ccc(-c2ccc(N[C@H]3C[C@@H]4CN(CC5CCOCC5)C[C@@H]4C3)nn2)cc1 | 10.1021/acsmedchemlett.1c00363 | ||
| 138578970 | 185643 | 0 | None | 1862 | 2 | Human | 8.8 | pIC50 | = | 8.8 | Functional | ChEMBL | 414 | 5 | 1 | 5 | 4.0 | Fc1ccc(F)c(-c2ccc(N[C@H]3C[C@@H]4CN(CC5CCOCC5)C[C@@H]4C3)nn2)c1 | 10.1021/acsmedchemlett.1c00363 | ||
| CHEMBL4864914 | 185643 | 0 | None | 1862 | 2 | Human | 8.8 | pIC50 | = | 8.8 | Functional | ChEMBL | 414 | 5 | 1 | 5 | 4.0 | Fc1ccc(F)c(-c2ccc(N[C@H]3C[C@@H]4CN(CC5CCOCC5)C[C@@H]4C3)nn2)c1 | 10.1021/acsmedchemlett.1c00363 | ||
| 138578970 | 185643 | 0 | None | 1862 | 2 | Human | 8.8 | pIC50 | = | 8.8 | Functional | ChEMBL | 414 | 5 | 1 | 5 | 4.0 | Fc1ccc(F)c(-c2ccc(N[C@H]3C[C@@H]4CN(CC5CCOCC5)C[C@@H]4C3)nn2)c1 | 10.1021/acsmedchemlett.1c00363 | ||
| CHEMBL4864914 | 185643 | 0 | None | 1862 | 2 | Human | 8.8 | pIC50 | = | 8.8 | Functional | ChEMBL | 414 | 5 | 1 | 5 | 4.0 | Fc1ccc(F)c(-c2ccc(N[C@H]3C[C@@H]4CN(CC5CCOCC5)C[C@@H]4C3)nn2)c1 | 10.1021/acsmedchemlett.1c00363 | ||
| 138578683 | 184779 | 0 | None | 1318 | 2 | Human | 8.8 | pIC50 | = | 8.8 | Functional | ChEMBL | 396 | 5 | 1 | 5 | 3.8 | Fc1ccccc1-c1ccc(N[C@H]2C[C@@H]3CN(CC4CCOCC4)C[C@@H]3C2)nn1 | 10.1021/acsmedchemlett.1c00363 | ||
| CHEMBL4851711 | 184779 | 0 | None | 1318 | 2 | Human | 8.8 | pIC50 | = | 8.8 | Functional | ChEMBL | 396 | 5 | 1 | 5 | 3.8 | Fc1ccccc1-c1ccc(N[C@H]2C[C@@H]3CN(CC4CCOCC4)C[C@@H]3C2)nn1 | 10.1021/acsmedchemlett.1c00363 | ||
| 137408729 | 190718 | 0 | None | 870 | 2 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 444 | 6 | 1 | 5 | 4.9 | Fc1ccc(Cl)c(-c2ccc(NC[C@@H]3CC34CCN(CC3CCOCC3)CC4)nn2)c1 | 10.1016/j.bmcl.2021.128479 | ||
| CHEMBL5182783 | 190718 | 0 | None | 870 | 2 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 444 | 6 | 1 | 5 | 4.9 | Fc1ccc(Cl)c(-c2ccc(NC[C@@H]3CC34CCN(CC3CCOCC3)CC4)nn2)c1 | 10.1016/j.bmcl.2021.128479 | ||
| 137408729 | 190718 | 0 | None | 870 | 2 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 444 | 6 | 1 | 5 | 4.9 | Fc1ccc(Cl)c(-c2ccc(NC[C@@H]3CC34CCN(CC3CCOCC3)CC4)nn2)c1 | 10.1016/j.bmcl.2021.128479 | ||
| CHEMBL5182783 | 190718 | 0 | None | 870 | 2 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 444 | 6 | 1 | 5 | 4.9 | Fc1ccc(Cl)c(-c2ccc(NC[C@@H]3CC34CCN(CC3CCOCC3)CC4)nn2)c1 | 10.1016/j.bmcl.2021.128479 | ||
| 137637944 | 155791 | 0 | None | 2 | 5 | Human | 7.0 | pIC50 | = | 7 | 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 | 2 | 5 | Human | 7.0 | pIC50 | = | 7 | 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 | ||
| 52176747 | 159007 | 1 | None | -2 | 8 | Rat | 6.0 | pIC50 | = | 6 | 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 | -2 | 8 | Rat | 6.0 | pIC50 | = | 6 | 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 | ||
| 137634235 | 156627 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 464 | 4 | 0 | 5 | 4.7 | O=C(C1CCN(c2cc(Oc3ccc(F)cc3F)ncn2)CC1)N1CCCc2ccccc2C1 | 10.1016/j.bmcl.2017.04.009 | ||
| CHEMBL4069356 | 156627 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 464 | 4 | 0 | 5 | 4.7 | O=C(C1CCN(c2cc(Oc3ccc(F)cc3F)ncn2)CC1)N1CCCc2ccccc2C1 | 10.1016/j.bmcl.2017.04.009 | ||
| 156015807 | 178275 | 0 | None | -1 | 2 | Human | 7.0 | pIC50 | = | 7.0 | Functional | 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 | -1 | 2 | Human | 7.0 | pIC50 | = | 7.0 | Functional | 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 | -1 | 2 | Human | 7.0 | pIC50 | = | 7.0 | Functional | 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 | ||
| 137634235 | 156627 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 464 | 4 | 0 | 5 | 4.7 | O=C(C1CCN(c2cc(Oc3ccc(F)cc3F)ncn2)CC1)N1CCCc2ccccc2C1 | 10.1016/j.bmcl.2017.04.009 | ||
| CHEMBL4069356 | 156627 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 464 | 4 | 0 | 5 | 4.7 | O=C(C1CCN(c2cc(Oc3ccc(F)cc3F)ncn2)CC1)N1CCCc2ccccc2C1 | 10.1016/j.bmcl.2017.04.009 | ||
| 137638270 | 156853 | 0 | None | 2 | 5 | Human | 7.0 | pIC50 | = | 7.0 | 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 | 2 | 5 | Human | 7.0 | pIC50 | = | 7.0 | 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 | ||
| 9815331 | 203084 | 1 | None | -3 | 5 | Rat | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 169 | 1 | 1 | 3 | 0.8 | CC(=O)OC1CC2CCCC1N2 | 10.1021/jm9705115 | ||
| CHEMBL64000 | 203084 | 1 | None | -3 | 5 | Rat | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 169 | 1 | 1 | 3 | 0.8 | CC(=O)OC1CC2CCCC1N2 | 10.1021/jm9705115 | ||
| 152072967 | 192214 | 0 | None | 6 | 2 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 442 | 6 | 1 | 4 | 6.0 | Fc1ccc(Cl)c(-c2ccc(NC[C@@H]3CC34CCN(CC3CCCCC3)CC4)nn2)c1 | 10.1016/j.bmcl.2021.128479 | ||
| CHEMBL5205163 | 192214 | 0 | None | 6 | 2 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 442 | 6 | 1 | 4 | 6.0 | Fc1ccc(Cl)c(-c2ccc(NC[C@@H]3CC34CCN(CC3CCCCC3)CC4)nn2)c1 | 10.1016/j.bmcl.2021.128479 | ||
| 137641287 | 157024 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 452 | 4 | 0 | 7 | 2.9 | C[C@H]1CCCCN1c1ccc(N2CCN(S(=O)(=O)c3ccc4ncccc4c3)CC2)nn1 | 10.1016/j.bmcl.2017.05.042 | ||
| CHEMBL4073915 | 157024 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 452 | 4 | 0 | 7 | 2.9 | C[C@H]1CCCCN1c1ccc(N2CCN(S(=O)(=O)c3ccc4ncccc4c3)CC2)nn1 | 10.1016/j.bmcl.2017.05.042 | ||
| 137658248 | 159601 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 466 | 4 | 0 | 5 | 4.9 | O=C(C1CCN(c2cc(Oc3ccc(Cl)cc3F)ncn2)CC1)N1CCc2ccccc2C1 | 10.1016/j.bmcl.2017.04.009 | ||
| CHEMBL4103428 | 159601 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 466 | 4 | 0 | 5 | 4.9 | O=C(C1CCN(c2cc(Oc3ccc(Cl)cc3F)ncn2)CC1)N1CCc2ccccc2C1 | 10.1016/j.bmcl.2017.04.009 | ||
| 137641287 | 157024 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 452 | 4 | 0 | 7 | 2.9 | C[C@H]1CCCCN1c1ccc(N2CCN(S(=O)(=O)c3ccc4ncccc4c3)CC2)nn1 | 10.1016/j.bmcl.2017.05.042 | ||
| CHEMBL4073915 | 157024 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 452 | 4 | 0 | 7 | 2.9 | C[C@H]1CCCCN1c1ccc(N2CCN(S(=O)(=O)c3ccc4ncccc4c3)CC2)nn1 | 10.1016/j.bmcl.2017.05.042 | ||
| 152072967 | 192214 | 0 | None | 6 | 2 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 442 | 6 | 1 | 4 | 6.0 | Fc1ccc(Cl)c(-c2ccc(NC[C@@H]3CC34CCN(CC3CCCCC3)CC4)nn2)c1 | 10.1016/j.bmcl.2021.128479 | ||
| CHEMBL5205163 | 192214 | 0 | None | 6 | 2 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 442 | 6 | 1 | 4 | 6.0 | Fc1ccc(Cl)c(-c2ccc(NC[C@@H]3CC34CCN(CC3CCCCC3)CC4)nn2)c1 | 10.1016/j.bmcl.2021.128479 | ||
| 9913341 | 82129 | 4 | None | -28 | 3 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 487 | 16 | 0 | 13 | 1.6 | COc1nsnc1OCCOCCOCCOCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm0606995 | ||
| CHEMBL216927 | 82129 | 4 | None | -28 | 3 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 487 | 16 | 0 | 13 | 1.6 | COc1nsnc1OCCOCCOCCOCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm0606995 | ||
| CHEMBL553058 | 82129 | 4 | None | -28 | 3 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 487 | 16 | 0 | 13 | 1.6 | COc1nsnc1OCCOCCOCCOCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm0606995 | ||
| 137638270 | 156853 | 0 | None | 2 | 5 | Human | 6.9 | pIC50 | = | 6.9 | 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 | 2 | 5 | Human | 6.9 | pIC50 | = | 6.9 | 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 | ||
| 168279172 | 190875 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 392 | 6 | 1 | 5 | 4.1 | c1ccc(-c2ccc(NC[C@@H]3CC34CCN(CC3CCOCC3)CC4)nn2)cc1 | 10.1016/j.bmcl.2021.128479 | ||
| CHEMBL5185022 | 190875 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 392 | 6 | 1 | 5 | 4.1 | c1ccc(-c2ccc(NC[C@@H]3CC34CCN(CC3CCOCC3)CC4)nn2)cc1 | 10.1016/j.bmcl.2021.128479 | ||
| 137655063 | 158949 | 0 | None | 2 | 5 | Human | 6.9 | pIC50 | = | 6.9 | 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 | 2 | 5 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 432 | 4 | 0 | 5 | 4.2 | O=C(C1CCN(c2cc(Oc3ccccc3F)ncn2)CC1)N1CCc2ccccc2C1 | 10.1016/j.bmcl.2017.04.009 | ||
| 168279172 | 190875 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 392 | 6 | 1 | 5 | 4.1 | c1ccc(-c2ccc(NC[C@@H]3CC34CCN(CC3CCOCC3)CC4)nn2)cc1 | 10.1016/j.bmcl.2021.128479 | ||
| CHEMBL5185022 | 190875 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 392 | 6 | 1 | 5 | 4.1 | c1ccc(-c2ccc(NC[C@@H]3CC34CCN(CC3CCOCC3)CC4)nn2)cc1 | 10.1016/j.bmcl.2021.128479 | ||
| 168289751 | 191786 | 0 | None | 47 | 2 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 446 | 6 | 1 | 7 | 4.0 | Cn1cc2cc(-c3ccc(NC[C@@H]4CC45CCN(CC4CCOCC4)CC5)nn3)ccc2n1 | 10.1016/j.bmcl.2021.128479 | ||
| CHEMBL5198423 | 191786 | 0 | None | 47 | 2 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 446 | 6 | 1 | 7 | 4.0 | Cn1cc2cc(-c3ccc(NC[C@@H]4CC45CCN(CC4CCOCC4)CC5)nn3)ccc2n1 | 10.1016/j.bmcl.2021.128479 | ||
| 44418764 | 82130 | 0 | None | -5 | 4 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 487 | 16 | 0 | 13 | 1.8 | COc1nsc(OCCOCCOCCOCCOc2nsnc2C2C=CCCN2C)n1 | 10.1021/jm0606995 | ||
| CHEMBL216928 | 82130 | 0 | None | -5 | 4 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 487 | 16 | 0 | 13 | 1.8 | COc1nsc(OCCOCCOCCOCCOc2nsnc2C2C=CCCN2C)n1 | 10.1021/jm0606995 | ||
| 121053110 | 158482 | 1 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 435 | 4 | 0 | 6 | 3.0 | O=S(=O)(c1ccccc1Cl)N1CCN(c2ccc(N3CCCCCC3)nn2)CC1 | 10.1016/j.bmcl.2017.05.042 | ||
| CHEMBL4091144 | 158482 | 1 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 435 | 4 | 0 | 6 | 3.0 | O=S(=O)(c1ccccc1Cl)N1CCN(c2ccc(N3CCCCCC3)nn2)CC1 | 10.1016/j.bmcl.2017.05.042 | ||
| 121053110 | 158482 | 1 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 435 | 4 | 0 | 6 | 3.0 | O=S(=O)(c1ccccc1Cl)N1CCN(c2ccc(N3CCCCCC3)nn2)CC1 | 10.1016/j.bmcl.2017.05.042 | ||
| CHEMBL4091144 | 158482 | 1 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 435 | 4 | 0 | 6 | 3.0 | O=S(=O)(c1ccccc1Cl)N1CCN(c2ccc(N3CCCCCC3)nn2)CC1 | 10.1016/j.bmcl.2017.05.042 | ||
| 137655063 | 158949 | 0 | None | 2 | 5 | Human | 6.9 | pIC50 | = | 6.9 | 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 | 2 | 5 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 432 | 4 | 0 | 5 | 4.2 | O=C(C1CCN(c2cc(Oc3ccccc3F)ncn2)CC1)N1CCc2ccccc2C1 | 10.1016/j.bmcl.2017.04.009 | ||
| 168289751 | 191786 | 0 | None | 47 | 2 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 446 | 6 | 1 | 7 | 4.0 | Cn1cc2cc(-c3ccc(NC[C@@H]4CC45CCN(CC4CCOCC4)CC5)nn3)ccc2n1 | 10.1016/j.bmcl.2021.128479 | ||
| CHEMBL5198423 | 191786 | 0 | None | 47 | 2 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 446 | 6 | 1 | 7 | 4.0 | Cn1cc2cc(-c3ccc(NC[C@@H]4CC45CCN(CC4CCOCC4)CC5)nn3)ccc2n1 | 10.1016/j.bmcl.2021.128479 | ||
| 137647734 | 157822 | 0 | None | 2 | 5 | Human | 6.9 | pIC50 | = | 6.9 | 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 | 2 | 5 | Human | 6.9 | pIC50 | = | 6.9 | 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 | ||
| 137660952 | 159323 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 443 | 4 | 0 | 6 | 3.3 | C[C@H]1CCCCN1c1ccc(N2CCN(S(=O)(=O)c3ccc4c(c3)OCO4)CC2)cc1 | 10.1016/j.bmcl.2017.05.042 | ||
| CHEMBL4100202 | 159323 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 443 | 4 | 0 | 6 | 3.3 | C[C@H]1CCCCN1c1ccc(N2CCN(S(=O)(=O)c3ccc4c(c3)OCO4)CC2)cc1 | 10.1016/j.bmcl.2017.05.042 | ||
| 137655354 | 158614 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 444 | 4 | 0 | 7 | 2.7 | C[C@H]1CCCCN1c1ccc(N2CCN(S(=O)(=O)c3ccc4c(c3)OCO4)CC2)nc1 | 10.1016/j.bmcl.2017.05.042 | ||
| CHEMBL4092457 | 158614 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 444 | 4 | 0 | 7 | 2.7 | C[C@H]1CCCCN1c1ccc(N2CCN(S(=O)(=O)c3ccc4c(c3)OCO4)CC2)nc1 | 10.1016/j.bmcl.2017.05.042 | ||
| 156016041 | 178223 | 0 | None | 1 | 2 | Human | 6.9 | pIC50 | = | 6.9 | Functional | 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 | 1 | 2 | Human | 6.9 | pIC50 | = | 6.9 | Functional | 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 | 1 | 2 | Human | 6.9 | pIC50 | = | 6.9 | Functional | 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 | ||
| 71451570 | 81919 | 0 | None | -7 | 3 | Human | 6.9 | pIC50 | = | 6.9 | 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 | -7 | 3 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 326 | 4 | 0 | 2 | 2.9 | CN1CCN(C(=O)[C@@](F)(Cc2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2012.09.011 | ||
| 137647734 | 157822 | 0 | None | 2 | 5 | Human | 6.9 | pIC50 | = | 6.9 | 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 | 2 | 5 | Human | 6.9 | pIC50 | = | 6.9 | 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 | ||
| 137658248 | 159601 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 466 | 4 | 0 | 5 | 4.9 | O=C(C1CCN(c2cc(Oc3ccc(Cl)cc3F)ncn2)CC1)N1CCc2ccccc2C1 | 10.1016/j.bmcl.2017.04.009 | ||
| CHEMBL4103428 | 159601 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 466 | 4 | 0 | 5 | 4.9 | O=C(C1CCN(c2cc(Oc3ccc(Cl)cc3F)ncn2)CC1)N1CCc2ccccc2C1 | 10.1016/j.bmcl.2017.04.009 | ||
| 127045035 | 140387 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 409 | 6 | 0 | 6 | 5.3 | CCCCN(c1ccc(C)nc1)C1CCN(c2ncnc3sc(C)c(C)c23)CC1 | 10.1016/j.bmcl.2016.05.010 | ||
| CHEMBL3808906 | 140387 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 409 | 6 | 0 | 6 | 5.3 | CCCCN(c1ccc(C)nc1)C1CCN(c2ncnc3sc(C)c(C)c23)CC1 | 10.1016/j.bmcl.2016.05.010 | ||
| 46830362 | 7862 | 0 | None | -3 | 5 | Human | 5.8 | pIC50 | = | 5.8 | 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 | -3 | 5 | Human | 5.8 | pIC50 | = | 5.8 | 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 | ||
| 11584660 | 93239 | 8 | None | 1 | 5 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 537 | 7 | 0 | 8 | 5.6 | Cc1ccc2c(-c3nnc(SCCCN4CCc5ccc(-c6cc(C)nn6C)cc5CC4)n3C)cccc2n1 | 10.1021/jm0705612 | ||
| CHEMBL244946 | 93239 | 8 | None | 1 | 5 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 537 | 7 | 0 | 8 | 5.6 | Cc1ccc2c(-c3nnc(SCCCN4CCc5ccc(-c6cc(C)nn6C)cc5CC4)n3C)cccc2n1 | 10.1021/jm0705612 | ||
| 137641843 | 158237 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 405 | 4 | 0 | 8 | 1.1 | C[C@H]1CCCCN1c1ccc(N2CCN(S(=O)(=O)c3nccn3C)CC2)nn1 | 10.1016/j.bmcl.2017.05.042 | ||
| CHEMBL4088672 | 158237 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 405 | 4 | 0 | 8 | 1.1 | C[C@H]1CCCCN1c1ccc(N2CCN(S(=O)(=O)c3nccn3C)CC2)nn1 | 10.1016/j.bmcl.2017.05.042 | ||
| 137641843 | 158237 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 405 | 4 | 0 | 8 | 1.1 | C[C@H]1CCCCN1c1ccc(N2CCN(S(=O)(=O)c3nccn3C)CC2)nn1 | 10.1016/j.bmcl.2017.05.042 | ||
| CHEMBL4088672 | 158237 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 405 | 4 | 0 | 8 | 1.1 | C[C@H]1CCCCN1c1ccc(N2CCN(S(=O)(=O)c3nccn3C)CC2)nn1 | 10.1016/j.bmcl.2017.05.042 | ||
| 137658023 | 159691 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 450 | 4 | 0 | 5 | 4.3 | O=C(C1CCN(c2cc(Oc3cccc(F)c3F)ncn2)CC1)N1CCc2ccccc2C1 | 10.1016/j.bmcl.2017.04.009 | ||
| CHEMBL4104456 | 159691 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 450 | 4 | 0 | 5 | 4.3 | O=C(C1CCN(c2cc(Oc3cccc(F)c3F)ncn2)CC1)N1CCc2ccccc2C1 | 10.1016/j.bmcl.2017.04.009 | ||
| 137408799 | 190916 | 0 | None | 12 | 2 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 442 | 6 | 1 | 4 | 6.0 | Fc1ccc(Cl)c(-c2ccc(NCC3CC34CCN(CC3CCCCC3)CC4)nn2)c1 | 10.1016/j.bmcl.2021.128479 | ||
| CHEMBL5185664 | 190916 | 0 | None | 12 | 2 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 442 | 6 | 1 | 4 | 6.0 | Fc1ccc(Cl)c(-c2ccc(NCC3CC34CCN(CC3CCCCC3)CC4)nn2)c1 | 10.1016/j.bmcl.2021.128479 | ||
| 2986945 | 95026 | 7 | None | -16 | 5 | Rat | 4.8 | pIC50 | = | 4.8 | 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 | -16 | 5 | Rat | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 371 | 6 | 1 | 3 | 4.1 | CCN1CCN(c2ccc(NC(=O)CCc3ccccc3)cc2Cl)CC1 | 10.1016/j.bmcl.2007.12.051 | ||
| 152278786 | 182728 | 1 | None | -12 | 4 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 467 | 5 | 0 | 8 | 2.6 | N#Cc1ccc(N2C3CCC2CN(C(=O)CCS(=O)(=O)c2cccc4ncsc24)C3)nc1 | 10.1021/acsmedchemlett.0c00626 | ||
| CHEMBL4790083 | 182728 | 1 | None | -12 | 4 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 467 | 5 | 0 | 8 | 2.6 | N#Cc1ccc(N2C3CCC2CN(C(=O)CCS(=O)(=O)c2cccc4ncsc24)C3)nc1 | 10.1021/acsmedchemlett.0c00626 | ||
| 137658023 | 159691 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 450 | 4 | 0 | 5 | 4.3 | O=C(C1CCN(c2cc(Oc3cccc(F)c3F)ncn2)CC1)N1CCc2ccccc2C1 | 10.1016/j.bmcl.2017.04.009 | ||
| CHEMBL4104456 | 159691 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 450 | 4 | 0 | 5 | 4.3 | O=C(C1CCN(c2cc(Oc3cccc(F)c3F)ncn2)CC1)N1CCc2ccccc2C1 | 10.1016/j.bmcl.2017.04.009 | ||
| 137649829 | 157395 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 445 | 4 | 0 | 8 | 2.1 | C[C@H]1CCCCN1c1ccc(N2CCN(S(=O)(=O)c3ccc4c(c3)OCO4)CC2)nn1 | 10.1016/j.bmcl.2017.05.042 | ||
| CHEMBL4078634 | 157395 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 445 | 4 | 0 | 8 | 2.1 | C[C@H]1CCCCN1c1ccc(N2CCN(S(=O)(=O)c3ccc4c(c3)OCO4)CC2)nn1 | 10.1016/j.bmcl.2017.05.042 | ||
| 156493565 | 184962 | 0 | None | 1318 | 2 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 396 | 5 | 1 | 5 | 3.8 | Fc1cccc(-c2ccc(N[C@H]3C[C@@H]4CN(CC5CCOCC5)C[C@@H]4C3)nn2)c1 | 10.1021/acsmedchemlett.1c00363 | ||
| CHEMBL4854289 | 184962 | 0 | None | 1318 | 2 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 396 | 5 | 1 | 5 | 3.8 | Fc1cccc(-c2ccc(N[C@H]3C[C@@H]4CN(CC5CCOCC5)C[C@@H]4C3)nn2)c1 | 10.1021/acsmedchemlett.1c00363 | ||
| 156493565 | 184962 | 0 | None | 1318 | 2 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 396 | 5 | 1 | 5 | 3.8 | Fc1cccc(-c2ccc(N[C@H]3C[C@@H]4CN(CC5CCOCC5)C[C@@H]4C3)nn2)c1 | 10.1021/acsmedchemlett.1c00363 | ||
| CHEMBL4854289 | 184962 | 0 | None | 1318 | 2 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 396 | 5 | 1 | 5 | 3.8 | Fc1cccc(-c2ccc(N[C@H]3C[C@@H]4CN(CC5CCOCC5)C[C@@H]4C3)nn2)c1 | 10.1021/acsmedchemlett.1c00363 | ||
| 138578253 | 186431 | 0 | None | 1230 | 2 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 378 | 5 | 1 | 5 | 3.7 | c1ccc(-c2ccc(N[C@H]3C[C@@H]4CN(CC5CCOCC5)C[C@@H]4C3)nn2)cc1 | 10.1021/acsmedchemlett.1c00363 | ||
| CHEMBL4876599 | 186431 | 0 | None | 1230 | 2 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 378 | 5 | 1 | 5 | 3.7 | c1ccc(-c2ccc(N[C@H]3C[C@@H]4CN(CC5CCOCC5)C[C@@H]4C3)nn2)cc1 | 10.1021/acsmedchemlett.1c00363 | ||
| 138578253 | 186431 | 0 | None | 1230 | 2 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 378 | 5 | 1 | 5 | 3.7 | c1ccc(-c2ccc(N[C@H]3C[C@@H]4CN(CC5CCOCC5)C[C@@H]4C3)nn2)cc1 | 10.1021/acsmedchemlett.1c00363 | ||
| CHEMBL4876599 | 186431 | 0 | None | 1230 | 2 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 378 | 5 | 1 | 5 | 3.7 | c1ccc(-c2ccc(N[C@H]3C[C@@H]4CN(CC5CCOCC5)C[C@@H]4C3)nn2)cc1 | 10.1021/acsmedchemlett.1c00363 | ||
| 137649829 | 157395 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 445 | 4 | 0 | 8 | 2.1 | C[C@H]1CCCCN1c1ccc(N2CCN(S(=O)(=O)c3ccc4c(c3)OCO4)CC2)nn1 | 10.1016/j.bmcl.2017.05.042 | ||
| CHEMBL4078634 | 157395 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 445 | 4 | 0 | 8 | 2.1 | C[C@H]1CCCCN1c1ccc(N2CCN(S(=O)(=O)c3ccc4c(c3)OCO4)CC2)nn1 | 10.1016/j.bmcl.2017.05.042 | ||
| 44455159 | 97737 | 0 | None | -17 | 5 | Rat | 4.7 | pIC50 | = | 4.7 | 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 | -17 | 5 | Rat | 4.7 | pIC50 | = | 4.7 | 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 | ||
| 152278786 | 182728 | 1 | None | -12 | 4 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 467 | 5 | 0 | 8 | 2.6 | N#Cc1ccc(N2C3CCC2CN(C(=O)CCS(=O)(=O)c2cccc4ncsc24)C3)nc1 | 10.1021/acsmedchemlett.0c00626 | ||
| CHEMBL4790083 | 182728 | 1 | None | -12 | 4 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 467 | 5 | 0 | 8 | 2.6 | N#Cc1ccc(N2C3CCC2CN(C(=O)CCS(=O)(=O)c2cccc4ncsc24)C3)nc1 | 10.1021/acsmedchemlett.0c00626 | ||
| 137408799 | 190916 | 0 | None | -12 | 2 | Rat | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 442 | 6 | 1 | 4 | 6.0 | Fc1ccc(Cl)c(-c2ccc(NCC3CC34CCN(CC3CCCCC3)CC4)nn2)c1 | 10.1016/j.bmcl.2021.128479 | ||
| CHEMBL5185664 | 190916 | 0 | None | -12 | 2 | Rat | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 442 | 6 | 1 | 4 | 6.0 | Fc1ccc(Cl)c(-c2ccc(NCC3CC34CCN(CC3CCCCC3)CC4)nn2)c1 | 10.1016/j.bmcl.2021.128479 | ||
| 137655902 | 158796 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 432 | 4 | 0 | 5 | 4.2 | O=C(C1CCN(c2cc(Oc3ccc(F)cc3)ncn2)CC1)N1CCc2ccccc2C1 | 10.1016/j.bmcl.2017.04.009 | ||
| CHEMBL4094531 | 158796 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 432 | 4 | 0 | 5 | 4.2 | O=C(C1CCN(c2cc(Oc3ccc(F)cc3)ncn2)CC1)N1CCc2ccccc2C1 | 10.1016/j.bmcl.2017.04.009 | ||
| 137639216 | 156684 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 435 | 4 | 0 | 6 | 3.0 | C[C@H]1CCCCN1c1ccc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)nn1 | 10.1016/j.bmcl.2017.05.042 | ||
| CHEMBL4070135 | 156684 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 435 | 4 | 0 | 6 | 3.0 | C[C@H]1CCCCN1c1ccc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)nn1 | 10.1016/j.bmcl.2017.05.042 | ||
| 2551 | 791 | 23 | None | -2 | 13 | Rat | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm9705115 | ||
| 298 | 791 | 23 | None | -2 | 13 | Rat | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm9705115 | ||
| 488 | 791 | 23 | None | -2 | 13 | Rat | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm9705115 | ||
| CHEMBL965 | 791 | 23 | None | -2 | 13 | Rat | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm9705115 | ||
| DB00411 | 791 | 23 | None | -2 | 13 | Rat | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm9705115 | ||
| 137639216 | 156684 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 435 | 4 | 0 | 6 | 3.0 | C[C@H]1CCCCN1c1ccc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)nn1 | 10.1016/j.bmcl.2017.05.042 | ||
| CHEMBL4070135 | 156684 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 435 | 4 | 0 | 6 | 3.0 | C[C@H]1CCCCN1c1ccc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)nn1 | 10.1016/j.bmcl.2017.05.042 | ||
| 137647376 | 157567 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 431 | 5 | 0 | 7 | 2.4 | COc1ccccc1S(=O)(=O)N1CCN(c2ccc(N3CCCC[C@@H]3C)nn2)CC1 | 10.1016/j.bmcl.2017.05.042 | ||
| CHEMBL4080796 | 157567 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 431 | 5 | 0 | 7 | 2.4 | COc1ccccc1S(=O)(=O)N1CCN(c2ccc(N3CCCC[C@@H]3C)nn2)CC1 | 10.1016/j.bmcl.2017.05.042 | ||
| 137647376 | 157567 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 431 | 5 | 0 | 7 | 2.4 | COc1ccccc1S(=O)(=O)N1CCN(c2ccc(N3CCCC[C@@H]3C)nn2)CC1 | 10.1016/j.bmcl.2017.05.042 | ||
| CHEMBL4080796 | 157567 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 431 | 5 | 0 | 7 | 2.4 | COc1ccccc1S(=O)(=O)N1CCN(c2ccc(N3CCCC[C@@H]3C)nn2)CC1 | 10.1016/j.bmcl.2017.05.042 | ||
| 137635985 | 156054 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 480 | 5 | 0 | 6 | 4.4 | COc1ccc2c(c1)CN(C(=O)C1CCN(c3cc(Oc4ccc(F)cc4F)ncn3)CC1)CC2 | 10.1016/j.bmcl.2017.04.009 | ||
| CHEMBL4062851 | 156054 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 480 | 5 | 0 | 6 | 4.4 | COc1ccc2c(c1)CN(C(=O)C1CCN(c3cc(Oc4ccc(F)cc4F)ncn3)CC1)CC2 | 10.1016/j.bmcl.2017.04.009 | ||
| 137655902 | 158796 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 432 | 4 | 0 | 5 | 4.2 | O=C(C1CCN(c2cc(Oc3ccc(F)cc3)ncn2)CC1)N1CCc2ccccc2C1 | 10.1016/j.bmcl.2017.04.009 | ||
| CHEMBL4094531 | 158796 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 432 | 4 | 0 | 5 | 4.2 | O=C(C1CCN(c2cc(Oc3ccc(F)cc3)ncn2)CC1)N1CCc2ccccc2C1 | 10.1016/j.bmcl.2017.04.009 | ||
| 127045185 | 140389 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 395 | 5 | 0 | 6 | 4.9 | CCCN(c1ccc(C)nc1)C1CCN(c2ncnc3sc(C)c(C)c23)CC1 | 10.1016/j.bmcl.2016.05.010 | ||
| CHEMBL3808947 | 140389 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 395 | 5 | 0 | 6 | 4.9 | CCCN(c1ccc(C)nc1)C1CCN(c2ncnc3sc(C)c(C)c23)CC1 | 10.1016/j.bmcl.2016.05.010 | ||
| 137635985 | 156054 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 480 | 5 | 0 | 6 | 4.4 | COc1ccc2c(c1)CN(C(=O)C1CCN(c3cc(Oc4ccc(F)cc4F)ncn3)CC1)CC2 | 10.1016/j.bmcl.2017.04.009 | ||
| CHEMBL4062851 | 156054 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 480 | 5 | 0 | 6 | 4.4 | COc1ccc2c(c1)CN(C(=O)C1CCN(c3cc(Oc4ccc(F)cc4F)ncn3)CC1)CC2 | 10.1016/j.bmcl.2017.04.009 | ||
| 3652 | 4066 | 79 | None | -8 | 15 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm0606995 | ||
| 57 | 4066 | 79 | None | -8 | 15 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm0606995 | ||
| 60809 | 4066 | 79 | None | -8 | 15 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm0606995 | ||
| CHEMBL21536 | 4066 | 79 | None | -8 | 15 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm0606995 | ||
| DB15357 | 4066 | 79 | None | -8 | 15 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm0606995 | ||
| 162646559 | 179616 | 0 | None | -19 | 4 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 406 | 5 | 0 | 4 | 4.1 | Cc1cc(F)cnc1N1CCN(C(=O)CCCc2cccc3ncccc23)[C@@H](C)C1 | 10.1021/acsmedchemlett.0c00626 | ||
| CHEMBL4742997 | 179616 | 0 | None | -19 | 4 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 406 | 5 | 0 | 4 | 4.1 | Cc1cc(F)cnc1N1CCN(C(=O)CCCc2cccc3ncccc23)[C@@H](C)C1 | 10.1021/acsmedchemlett.0c00626 | ||
| 10109893 | 82136 | 0 | None | -3162 | 3 | Human | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 373 | 13 | 1 | 9 | 0.7 | CN1CCC=C(c2nsnc2OCCOCCOCCOCCO)C1 | 10.1021/jm0606995 | ||
| CHEMBL216983 | 82136 | 0 | None | -3162 | 3 | Human | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 373 | 13 | 1 | 9 | 0.7 | CN1CCC=C(c2nsnc2OCCOCCOCCOCCO)C1 | 10.1021/jm0606995 | ||
| CHEMBL544840 | 82136 | 0 | None | -3162 | 3 | Human | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 373 | 13 | 1 | 9 | 0.7 | CN1CCC=C(c2nsnc2OCCOCCOCCOCCO)C1 | 10.1021/jm0606995 | ||
| 137659030 | 159201 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 401 | 4 | 0 | 6 | 2.4 | C[C@H]1CCCCN1c1ccc(N2CCN(S(=O)(=O)c3ccccc3)CC2)nn1 | 10.1016/j.bmcl.2017.05.042 | ||
| CHEMBL4098838 | 159201 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 401 | 4 | 0 | 6 | 2.4 | C[C@H]1CCCCN1c1ccc(N2CCN(S(=O)(=O)c3ccccc3)CC2)nn1 | 10.1016/j.bmcl.2017.05.042 | ||
| 137659030 | 159201 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 401 | 4 | 0 | 6 | 2.4 | C[C@H]1CCCCN1c1ccc(N2CCN(S(=O)(=O)c3ccccc3)CC2)nn1 | 10.1016/j.bmcl.2017.05.042 | ||
| CHEMBL4098838 | 159201 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 401 | 4 | 0 | 6 | 2.4 | C[C@H]1CCCCN1c1ccc(N2CCN(S(=O)(=O)c3ccccc3)CC2)nn1 | 10.1016/j.bmcl.2017.05.042 | ||
| 137658151 | 159684 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 431 | 4 | 0 | 8 | 1.7 | C[C@H]1CCCN1c1ccc(N2CCN(S(=O)(=O)c3ccc4c(c3)OCO4)CC2)nn1 | 10.1016/j.bmcl.2017.05.042 | ||
| CHEMBL4104377 | 159684 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 431 | 4 | 0 | 8 | 1.7 | C[C@H]1CCCN1c1ccc(N2CCN(S(=O)(=O)c3ccc4c(c3)OCO4)CC2)nn1 | 10.1016/j.bmcl.2017.05.042 | ||
| 137654928 | 158678 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 482 | 4 | 0 | 5 | 5.4 | O=C(C1CCN(c2cc(Oc3ccc(Cl)cc3Cl)ncn2)CC1)N1CCc2ccccc2C1 | 10.1016/j.bmcl.2017.04.009 | ||
| CHEMBL4093252 | 158678 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 482 | 4 | 0 | 5 | 5.4 | O=C(C1CCN(c2cc(Oc3ccc(Cl)cc3Cl)ncn2)CC1)N1CCc2ccccc2C1 | 10.1016/j.bmcl.2017.04.009 | ||
| 137655967 | 159000 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 461 | 6 | 0 | 8 | 2.4 | COc1ccc(S(=O)(=O)N2CCN(c3ccc(N4CCCC[C@@H]4C)nn3)CC2)cc1OC | 10.1016/j.bmcl.2017.05.042 | ||
| CHEMBL4096649 | 159000 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 461 | 6 | 0 | 8 | 2.4 | COc1ccc(S(=O)(=O)N2CCN(c3ccc(N4CCCC[C@@H]4C)nn3)CC2)cc1OC | 10.1016/j.bmcl.2017.05.042 | ||
| 137648504 | 157987 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 450 | 4 | 0 | 5 | 4.3 | O=C(C1CCN(c2cc(Oc3c(F)cccc3F)ncn2)CC1)N1CCc2ccccc2C1 | 10.1016/j.bmcl.2017.04.009 | ||
| CHEMBL4085498 | 157987 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 450 | 4 | 0 | 5 | 4.3 | O=C(C1CCN(c2cc(Oc3c(F)cccc3F)ncn2)CC1)N1CCc2ccccc2C1 | 10.1016/j.bmcl.2017.04.009 | ||
| 137408797 | 190424 | 0 | None | 18 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 442 | 6 | 1 | 4 | 6.0 | Fc1ccc(Cl)c(-c2ccc(NC[C@H]3CC34CCN(CC3CCCCC3)CC4)nn2)c1 | 10.1016/j.bmcl.2021.128479 | ||
| CHEMBL5178468 | 190424 | 0 | None | 18 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 442 | 6 | 1 | 4 | 6.0 | Fc1ccc(Cl)c(-c2ccc(NC[C@H]3CC34CCN(CC3CCCCC3)CC4)nn2)c1 | 10.1016/j.bmcl.2021.128479 | ||
| 137654928 | 158678 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 482 | 4 | 0 | 5 | 5.4 | O=C(C1CCN(c2cc(Oc3ccc(Cl)cc3Cl)ncn2)CC1)N1CCc2ccccc2C1 | 10.1016/j.bmcl.2017.04.009 | ||
| CHEMBL4093252 | 158678 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 482 | 4 | 0 | 5 | 5.4 | O=C(C1CCN(c2cc(Oc3ccc(Cl)cc3Cl)ncn2)CC1)N1CCc2ccccc2C1 | 10.1016/j.bmcl.2017.04.009 | ||
| 137648504 | 157987 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 450 | 4 | 0 | 5 | 4.3 | O=C(C1CCN(c2cc(Oc3c(F)cccc3F)ncn2)CC1)N1CCc2ccccc2C1 | 10.1016/j.bmcl.2017.04.009 | ||
| CHEMBL4085498 | 157987 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 450 | 4 | 0 | 5 | 4.3 | O=C(C1CCN(c2cc(Oc3c(F)cccc3F)ncn2)CC1)N1CCc2ccccc2C1 | 10.1016/j.bmcl.2017.04.009 | ||
| 137658151 | 159684 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 431 | 4 | 0 | 8 | 1.7 | C[C@H]1CCCN1c1ccc(N2CCN(S(=O)(=O)c3ccc4c(c3)OCO4)CC2)nn1 | 10.1016/j.bmcl.2017.05.042 | ||
| CHEMBL4104377 | 159684 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 431 | 4 | 0 | 8 | 1.7 | C[C@H]1CCCN1c1ccc(N2CCN(S(=O)(=O)c3ccc4c(c3)OCO4)CC2)nn1 | 10.1016/j.bmcl.2017.05.042 | ||
| 168294040 | 192169 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 410 | 6 | 1 | 5 | 4.2 | Fc1ccc(-c2ccc(NC[C@@H]3CC34CCN(CC3CCOCC3)CC4)nn2)cc1 | 10.1016/j.bmcl.2021.128479 | ||
| CHEMBL5204478 | 192169 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 410 | 6 | 1 | 5 | 4.2 | Fc1ccc(-c2ccc(NC[C@@H]3CC34CCN(CC3CCOCC3)CC4)nn2)cc1 | 10.1016/j.bmcl.2021.128479 | ||
| 137408797 | 190424 | 0 | None | 18 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 442 | 6 | 1 | 4 | 6.0 | Fc1ccc(Cl)c(-c2ccc(NC[C@H]3CC34CCN(CC3CCCCC3)CC4)nn2)c1 | 10.1016/j.bmcl.2021.128479 | ||
| CHEMBL5178468 | 190424 | 0 | None | 18 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 442 | 6 | 1 | 4 | 6.0 | Fc1ccc(Cl)c(-c2ccc(NC[C@H]3CC34CCN(CC3CCCCC3)CC4)nn2)c1 | 10.1016/j.bmcl.2021.128479 | ||
| 168294040 | 192169 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 410 | 6 | 1 | 5 | 4.2 | Fc1ccc(-c2ccc(NC[C@@H]3CC34CCN(CC3CCOCC3)CC4)nn2)cc1 | 10.1016/j.bmcl.2021.128479 | ||
| CHEMBL5204478 | 192169 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 410 | 6 | 1 | 5 | 4.2 | Fc1ccc(-c2ccc(NC[C@@H]3CC34CCN(CC3CCOCC3)CC4)nn2)cc1 | 10.1016/j.bmcl.2021.128479 | ||
| 137655967 | 159000 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 461 | 6 | 0 | 8 | 2.4 | COc1ccc(S(=O)(=O)N2CCN(c3ccc(N4CCCC[C@@H]4C)nn3)CC2)cc1OC | 10.1016/j.bmcl.2017.05.042 | ||
| CHEMBL4096649 | 159000 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 461 | 6 | 0 | 8 | 2.4 | COc1ccc(S(=O)(=O)N2CCN(c3ccc(N4CCCC[C@@H]4C)nn3)CC2)cc1OC | 10.1016/j.bmcl.2017.05.042 | ||
| 137661476 | 159435 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 445 | 4 | 0 | 8 | 2.1 | O=S(=O)(c1ccc2c(c1)OCO2)N1CCN(c2ccc(N3CCCCCC3)nn2)CC1 | 10.1016/j.bmcl.2017.05.042 | ||
| CHEMBL4101349 | 159435 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 445 | 4 | 0 | 8 | 2.1 | O=S(=O)(c1ccc2c(c1)OCO2)N1CCN(c2ccc(N3CCCCCC3)nn2)CC1 | 10.1016/j.bmcl.2017.05.042 | ||
| 137644574 | 158064 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 421 | 4 | 0 | 6 | 2.6 | C[C@H]1CCCN1c1ccc(N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)nn1 | 10.1016/j.bmcl.2017.05.042 | ||
| CHEMBL4086480 | 158064 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 421 | 4 | 0 | 6 | 2.6 | C[C@H]1CCCN1c1ccc(N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)nn1 | 10.1016/j.bmcl.2017.05.042 | ||
| 142611618 | 191168 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 416 | 5 | 1 | 5 | 4.2 | Fc1ccc(Cl)c(-c2ccc(NC3CC4(C3)CN(CC3CCOCC3)C4)nn2)c1 | 10.1016/j.bmcl.2021.128479 | ||
| CHEMBL5189221 | 191168 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 416 | 5 | 1 | 5 | 4.2 | Fc1ccc(Cl)c(-c2ccc(NC3CC4(C3)CN(CC3CCOCC3)C4)nn2)c1 | 10.1016/j.bmcl.2021.128479 | ||
| 137661476 | 159435 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 445 | 4 | 0 | 8 | 2.1 | O=S(=O)(c1ccc2c(c1)OCO2)N1CCN(c2ccc(N3CCCCCC3)nn2)CC1 | 10.1016/j.bmcl.2017.05.042 | ||
| CHEMBL4101349 | 159435 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 445 | 4 | 0 | 8 | 2.1 | O=S(=O)(c1ccc2c(c1)OCO2)N1CCN(c2ccc(N3CCCCCC3)nn2)CC1 | 10.1016/j.bmcl.2017.05.042 | ||
| 137644574 | 158064 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 421 | 4 | 0 | 6 | 2.6 | C[C@H]1CCCN1c1ccc(N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)nn1 | 10.1016/j.bmcl.2017.05.042 | ||
| CHEMBL4086480 | 158064 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 421 | 4 | 0 | 6 | 2.6 | C[C@H]1CCCN1c1ccc(N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)nn1 | 10.1016/j.bmcl.2017.05.042 | ||
| 142611618 | 191168 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 416 | 5 | 1 | 5 | 4.2 | Fc1ccc(Cl)c(-c2ccc(NC3CC4(C3)CN(CC3CCOCC3)C4)nn2)c1 | 10.1016/j.bmcl.2021.128479 | ||
| CHEMBL5189221 | 191168 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 416 | 5 | 1 | 5 | 4.2 | Fc1ccc(Cl)c(-c2ccc(NC3CC4(C3)CN(CC3CCOCC3)C4)nn2)c1 | 10.1016/j.bmcl.2021.128479 | ||
| 137636810 | 155892 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 432 | 4 | 0 | 5 | 4.2 | O=C(C1CCN(c2cc(Oc3cccc(F)c3)ncn2)CC1)N1CCc2ccccc2C1 | 10.1016/j.bmcl.2017.04.009 | ||
| CHEMBL4060844 | 155892 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 432 | 4 | 0 | 5 | 4.2 | O=C(C1CCN(c2cc(Oc3cccc(F)c3)ncn2)CC1)N1CCc2ccccc2C1 | 10.1016/j.bmcl.2017.04.009 | ||
| 137648177 | 157808 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 428 | 4 | 0 | 5 | 4.4 | Cc1ccc(Oc2cc(N3CCC(C(=O)N4CCc5ccccc5C4)CC3)ncn2)cc1 | 10.1016/j.bmcl.2017.04.009 | ||
| CHEMBL4083448 | 157808 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 428 | 4 | 0 | 5 | 4.4 | Cc1ccc(Oc2cc(N3CCC(C(=O)N4CCc5ccccc5C4)CC3)ncn2)cc1 | 10.1016/j.bmcl.2017.04.009 | ||
| 137636810 | 155892 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 432 | 4 | 0 | 5 | 4.2 | O=C(C1CCN(c2cc(Oc3cccc(F)c3)ncn2)CC1)N1CCc2ccccc2C1 | 10.1016/j.bmcl.2017.04.009 | ||
| CHEMBL4060844 | 155892 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 432 | 4 | 0 | 5 | 4.2 | O=C(C1CCN(c2cc(Oc3cccc(F)c3)ncn2)CC1)N1CCc2ccccc2C1 | 10.1016/j.bmcl.2017.04.009 | ||
| 137648177 | 157808 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 428 | 4 | 0 | 5 | 4.4 | Cc1ccc(Oc2cc(N3CCC(C(=O)N4CCc5ccccc5C4)CC3)ncn2)cc1 | 10.1016/j.bmcl.2017.04.009 | ||
| CHEMBL4083448 | 157808 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 428 | 4 | 0 | 5 | 4.4 | Cc1ccc(Oc2cc(N3CCC(C(=O)N4CCc5ccccc5C4)CC3)ncn2)cc1 | 10.1016/j.bmcl.2017.04.009 | ||
| 53303986 | 74311 | 0 | None | -20 | 3 | Human | 5.5 | pIC50 | = | 5.5 | 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 | -20 | 3 | Human | 5.5 | pIC50 | = | 5.5 | 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 | ||
| 137654353 | 158992 | 0 | None | 1 | 6 | Human | 6.5 | pIC50 | = | 6.5 | 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 | 1 | 6 | Human | 6.5 | pIC50 | = | 6.5 | 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 | ||
| 168276820 | 190082 | 0 | None | 63 | 2 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 446 | 6 | 1 | 5 | 4.5 | Fc1cc(F)c(F)c(-c2ccc(NC[C@@H]3CC34CCN(CC3CCOCC3)CC4)nn2)c1 | 10.1016/j.bmcl.2021.128479 | ||
| CHEMBL5172967 | 190082 | 0 | None | 63 | 2 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 446 | 6 | 1 | 5 | 4.5 | Fc1cc(F)c(F)c(-c2ccc(NC[C@@H]3CC34CCN(CC3CCOCC3)CC4)nn2)c1 | 10.1016/j.bmcl.2021.128479 | ||
| CHEMBL5208649 | 190082 | 0 | None | 63 | 2 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 446 | 6 | 1 | 5 | 4.5 | Fc1cc(F)c(F)c(-c2ccc(NC[C@@H]3CC34CCN(CC3CCOCC3)CC4)nn2)c1 | 10.1016/j.bmcl.2021.128479 | ||
| 168276820 | 190082 | 0 | None | 63 | 2 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 446 | 6 | 1 | 5 | 4.5 | Fc1cc(F)c(F)c(-c2ccc(NC[C@@H]3CC34CCN(CC3CCOCC3)CC4)nn2)c1 | 10.1016/j.bmcl.2021.128479 | ||
| CHEMBL5172967 | 190082 | 0 | None | 63 | 2 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 446 | 6 | 1 | 5 | 4.5 | Fc1cc(F)c(F)c(-c2ccc(NC[C@@H]3CC34CCN(CC3CCOCC3)CC4)nn2)c1 | 10.1016/j.bmcl.2021.128479 | ||
| CHEMBL5208649 | 190082 | 0 | None | 63 | 2 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 446 | 6 | 1 | 5 | 4.5 | Fc1cc(F)c(F)c(-c2ccc(NC[C@@H]3CC34CCN(CC3CCOCC3)CC4)nn2)c1 | 10.1016/j.bmcl.2021.128479 | ||
| 137641912 | 158359 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 406 | 4 | 0 | 8 | 1.6 | Cc1noc(C)c1S(=O)(=O)N1CCN(c2ccc(N3CCC[C@@H]3C)nn2)CC1 | 10.1016/j.bmcl.2017.05.042 | ||
| CHEMBL4089875 | 158359 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 406 | 4 | 0 | 8 | 1.6 | Cc1noc(C)c1S(=O)(=O)N1CCN(c2ccc(N3CCC[C@@H]3C)nn2)CC1 | 10.1016/j.bmcl.2017.05.042 | ||
| 137641912 | 158359 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 406 | 4 | 0 | 8 | 1.6 | Cc1noc(C)c1S(=O)(=O)N1CCN(c2ccc(N3CCC[C@@H]3C)nn2)CC1 | 10.1016/j.bmcl.2017.05.042 | ||
| CHEMBL4089875 | 158359 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 406 | 4 | 0 | 8 | 1.6 | Cc1noc(C)c1S(=O)(=O)N1CCN(c2ccc(N3CCC[C@@H]3C)nn2)CC1 | 10.1016/j.bmcl.2017.05.042 | ||
| 137654353 | 158992 | 0 | None | 1 | 6 | Human | 6.5 | pIC50 | = | 6.5 | 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 | 1 | 6 | Human | 6.5 | pIC50 | = | 6.5 | 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 | ||
| 49663949 | 158007 | 10 | None | 1 | 2 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 442 | 5 | 0 | 5 | 4.6 | CCc1ccc(Oc2cc(N3CCC(C(=O)N4CCc5ccccc5C4)CC3)ncn2)cc1 | 10.1016/j.bmcl.2017.04.009 | ||
| CHEMBL4085711 | 158007 | 10 | None | 1 | 2 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 442 | 5 | 0 | 5 | 4.6 | CCc1ccc(Oc2cc(N3CCC(C(=O)N4CCc5ccccc5C4)CC3)ncn2)cc1 | 10.1016/j.bmcl.2017.04.009 | ||
| 156015978 | 178299 | 0 | None | -1 | 2 | Human | 7.4 | pIC50 | = | 7.4 | Functional | 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 | -1 | 2 | Human | 7.4 | pIC50 | = | 7.4 | Functional | 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 | -1 | 2 | Human | 7.4 | pIC50 | = | 7.4 | Functional | 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 | ||
| 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 | ||
| 46830363 | 7987 | 0 | None | -1 | 2 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 479 | 4 | 1 | 3 | 5.8 | CCN1CCN(c2ccc(NC(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2Cl)CC1 | 10.1016/j.bmcl.2010.02.041 | ||
| CHEMBL1090759 | 7987 | 0 | None | -1 | 2 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 479 | 4 | 1 | 3 | 5.8 | CCN1CCN(c2ccc(NC(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2Cl)CC1 | 10.1016/j.bmcl.2010.02.041 | ||
| 1421986 | 8233 | 4 | None | -1 | 3 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 357 | 4 | 1 | 3 | 4.0 | CCN1CCN(c2ccc(NC(=O)c3ccc(C)cc3)cc2Cl)CC1 | 10.1016/j.bmcl.2010.02.041 | ||
| CHEMBL1092461 | 8233 | 4 | None | -1 | 3 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 357 | 4 | 1 | 3 | 4.0 | CCN1CCN(c2ccc(NC(=O)c3ccc(C)cc3)cc2Cl)CC1 | 10.1016/j.bmcl.2010.02.041 | ||
| 49663949 | 158007 | 10 | None | 1 | 2 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 442 | 5 | 0 | 5 | 4.6 | CCc1ccc(Oc2cc(N3CCC(C(=O)N4CCc5ccccc5C4)CC3)ncn2)cc1 | 10.1016/j.bmcl.2017.04.009 | ||
| CHEMBL4085711 | 158007 | 10 | None | 1 | 2 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 442 | 5 | 0 | 5 | 4.6 | CCc1ccc(Oc2cc(N3CCC(C(=O)N4CCc5ccccc5C4)CC3)ncn2)cc1 | 10.1016/j.bmcl.2017.04.009 | ||
| 162657046 | 180819 | 0 | None | -6 | 4 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 406 | 5 | 0 | 4 | 4.1 | Cc1cc(F)cnc1N1CCN(C(=O)CCCc2cccc3ncccc23)[C@H](C)C1 | 10.1021/acsmedchemlett.0c00626 | ||
| CHEMBL4757103 | 180819 | 0 | None | -6 | 4 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 406 | 5 | 0 | 4 | 4.1 | Cc1cc(F)cnc1N1CCN(C(=O)CCCc2cccc3ncccc23)[C@H](C)C1 | 10.1021/acsmedchemlett.0c00626 | ||
| 16094788 | 141890 | 0 | None | -1 | 3 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 531 | 19 | 0 | 14 | 1.6 | COc1nsnc1OCCOCCOCCOCCOCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm0606995 | ||
| CHEMBL386983 | 141890 | 0 | None | -1 | 3 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 531 | 19 | 0 | 14 | 1.6 | COc1nsnc1OCCOCCOCCOCCOCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm0606995 | ||
| 137634274 | 156483 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 407 | 4 | 0 | 6 | 2.6 | C[C@H]1CCCCN1c1ccc(N2CCN(S(=O)(=O)C3CCCCC3)CC2)nn1 | 10.1016/j.bmcl.2017.05.042 | ||
| CHEMBL4067738 | 156483 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 407 | 4 | 0 | 6 | 2.6 | C[C@H]1CCCCN1c1ccc(N2CCN(S(=O)(=O)C3CCCCC3)CC2)nn1 | 10.1016/j.bmcl.2017.05.042 | ||
| 164606754 | 184678 | 7 | None | 33 | 3 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 432 | 5 | 1 | 5 | 4.1 | Fc1cc(F)c(F)c(-c2ccc(N[C@H]3C[C@@H]4CN(CC5CCOCC5)C[C@@H]4C3)nn2)c1 | 10.1021/acsmedchemlett.1c00363 | ||
| CHEMBL4850236 | 184678 | 7 | None | 33 | 3 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 432 | 5 | 1 | 5 | 4.1 | Fc1cc(F)c(F)c(-c2ccc(N[C@H]3C[C@@H]4CN(CC5CCOCC5)C[C@@H]4C3)nn2)c1 | 10.1021/acsmedchemlett.1c00363 | ||
| CHEMBL4873617 | 184678 | 7 | None | 33 | 3 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 432 | 5 | 1 | 5 | 4.1 | Fc1cc(F)c(F)c(-c2ccc(N[C@H]3C[C@@H]4CN(CC5CCOCC5)C[C@@H]4C3)nn2)c1 | 10.1021/acsmedchemlett.1c00363 | ||
| 164606754 | 184678 | 7 | None | 33 | 3 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 432 | 5 | 1 | 5 | 4.1 | Fc1cc(F)c(F)c(-c2ccc(N[C@H]3C[C@@H]4CN(CC5CCOCC5)C[C@@H]4C3)nn2)c1 | 10.1021/acsmedchemlett.1c00363 | ||
| CHEMBL4850236 | 184678 | 7 | None | 33 | 3 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 432 | 5 | 1 | 5 | 4.1 | Fc1cc(F)c(F)c(-c2ccc(N[C@H]3C[C@@H]4CN(CC5CCOCC5)C[C@@H]4C3)nn2)c1 | 10.1021/acsmedchemlett.1c00363 | ||
| CHEMBL4873617 | 184678 | 7 | None | 33 | 3 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 432 | 5 | 1 | 5 | 4.1 | Fc1cc(F)c(F)c(-c2ccc(N[C@H]3C[C@@H]4CN(CC5CCOCC5)C[C@@H]4C3)nn2)c1 | 10.1021/acsmedchemlett.1c00363 | ||
| 164606754 | 184678 | 7 | None | 33 | 3 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 432 | 5 | 1 | 5 | 4.1 | Fc1cc(F)c(F)c(-c2ccc(N[C@H]3C[C@@H]4CN(CC5CCOCC5)C[C@@H]4C3)nn2)c1 | 10.1021/acsmedchemlett.1c00363 | ||
| CHEMBL4850236 | 184678 | 7 | None | 33 | 3 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 432 | 5 | 1 | 5 | 4.1 | Fc1cc(F)c(F)c(-c2ccc(N[C@H]3C[C@@H]4CN(CC5CCOCC5)C[C@@H]4C3)nn2)c1 | 10.1021/acsmedchemlett.1c00363 | ||
| CHEMBL4873617 | 184678 | 7 | None | 33 | 3 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 432 | 5 | 1 | 5 | 4.1 | Fc1cc(F)c(F)c(-c2ccc(N[C@H]3C[C@@H]4CN(CC5CCOCC5)C[C@@H]4C3)nn2)c1 | 10.1021/acsmedchemlett.1c00363 | ||
| 164606754 | 184678 | 7 | None | 33 | 3 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 432 | 5 | 1 | 5 | 4.1 | Fc1cc(F)c(F)c(-c2ccc(N[C@H]3C[C@@H]4CN(CC5CCOCC5)C[C@@H]4C3)nn2)c1 | 10.1021/acsmedchemlett.1c00363 | ||
| CHEMBL4850236 | 184678 | 7 | None | 33 | 3 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 432 | 5 | 1 | 5 | 4.1 | Fc1cc(F)c(F)c(-c2ccc(N[C@H]3C[C@@H]4CN(CC5CCOCC5)C[C@@H]4C3)nn2)c1 | 10.1021/acsmedchemlett.1c00363 | ||
| CHEMBL4873617 | 184678 | 7 | None | 33 | 3 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 432 | 5 | 1 | 5 | 4.1 | Fc1cc(F)c(F)c(-c2ccc(N[C@H]3C[C@@H]4CN(CC5CCOCC5)C[C@@H]4C3)nn2)c1 | 10.1021/acsmedchemlett.1c00363 | ||
| 137634274 | 156483 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 407 | 4 | 0 | 6 | 2.6 | C[C@H]1CCCCN1c1ccc(N2CCN(S(=O)(=O)C3CCCCC3)CC2)nn1 | 10.1016/j.bmcl.2017.05.042 | ||
| CHEMBL4067738 | 156483 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 407 | 4 | 0 | 6 | 2.6 | C[C@H]1CCCCN1c1ccc(N2CCN(S(=O)(=O)C3CCCCC3)CC2)nn1 | 10.1016/j.bmcl.2017.05.042 | ||
| 121053122 | 157800 | 1 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 420 | 4 | 0 | 8 | 2.0 | Cc1noc(C)c1S(=O)(=O)N1CCN(c2ccc(N3CCCCCC3)nn2)CC1 | 10.1016/j.bmcl.2017.05.042 | ||
| CHEMBL4083366 | 157800 | 1 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 420 | 4 | 0 | 8 | 2.0 | Cc1noc(C)c1S(=O)(=O)N1CCN(c2ccc(N3CCCCCC3)nn2)CC1 | 10.1016/j.bmcl.2017.05.042 | ||
| 137647522 | 157912 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 456 | 4 | 0 | 5 | 4.8 | O=C(C1CCN(c2cc(Oc3ccc(F)cc3F)ncn2)CC1)N1CCC2CCCCC2C1 | 10.1016/j.bmcl.2017.04.009 | ||
| CHEMBL4084528 | 157912 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 456 | 4 | 0 | 5 | 4.8 | O=C(C1CCN(c2cc(Oc3ccc(F)cc3F)ncn2)CC1)N1CCC2CCCCC2C1 | 10.1016/j.bmcl.2017.04.009 | ||
| 168276820 | 190082 | 0 | None | 63 | 2 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 446 | 6 | 1 | 5 | 4.5 | Fc1cc(F)c(F)c(-c2ccc(NC[C@@H]3CC34CCN(CC3CCOCC3)CC4)nn2)c1 | 10.1016/j.bmcl.2021.128479 | ||
| CHEMBL5172967 | 190082 | 0 | None | 63 | 2 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 446 | 6 | 1 | 5 | 4.5 | Fc1cc(F)c(F)c(-c2ccc(NC[C@@H]3CC34CCN(CC3CCOCC3)CC4)nn2)c1 | 10.1016/j.bmcl.2021.128479 | ||
| CHEMBL5208649 | 190082 | 0 | None | 63 | 2 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 446 | 6 | 1 | 5 | 4.5 | Fc1cc(F)c(F)c(-c2ccc(NC[C@@H]3CC34CCN(CC3CCOCC3)CC4)nn2)c1 | 10.1016/j.bmcl.2021.128479 | ||
| 137647522 | 157912 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 456 | 4 | 0 | 5 | 4.8 | O=C(C1CCN(c2cc(Oc3ccc(F)cc3F)ncn2)CC1)N1CCC2CCCCC2C1 | 10.1016/j.bmcl.2017.04.009 | ||
| CHEMBL4084528 | 157912 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 456 | 4 | 0 | 5 | 4.8 | O=C(C1CCN(c2cc(Oc3ccc(F)cc3F)ncn2)CC1)N1CCC2CCCCC2C1 | 10.1016/j.bmcl.2017.04.009 | ||
| 168276820 | 190082 | 0 | None | 63 | 2 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 446 | 6 | 1 | 5 | 4.5 | Fc1cc(F)c(F)c(-c2ccc(NC[C@@H]3CC34CCN(CC3CCOCC3)CC4)nn2)c1 | 10.1016/j.bmcl.2021.128479 | ||
| CHEMBL5172967 | 190082 | 0 | None | 63 | 2 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 446 | 6 | 1 | 5 | 4.5 | Fc1cc(F)c(F)c(-c2ccc(NC[C@@H]3CC34CCN(CC3CCOCC3)CC4)nn2)c1 | 10.1016/j.bmcl.2021.128479 | ||
| CHEMBL5208649 | 190082 | 0 | None | 63 | 2 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 446 | 6 | 1 | 5 | 4.5 | Fc1cc(F)c(F)c(-c2ccc(NC[C@@H]3CC34CCN(CC3CCOCC3)CC4)nn2)c1 | 10.1016/j.bmcl.2021.128479 | ||
| 52176747 | 159007 | 1 | None | 2 | 8 | Human | 6.4 | pIC50 | = | 6.4 | 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 | 2 | 8 | Human | 6.4 | pIC50 | = | 6.4 | 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 | ||
| 121053122 | 157800 | 1 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 420 | 4 | 0 | 8 | 2.0 | Cc1noc(C)c1S(=O)(=O)N1CCN(c2ccc(N3CCCCCC3)nn2)CC1 | 10.1016/j.bmcl.2017.05.042 | ||
| CHEMBL4083366 | 157800 | 1 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 420 | 4 | 0 | 8 | 2.0 | Cc1noc(C)c1S(=O)(=O)N1CCN(c2ccc(N3CCCCCC3)nn2)CC1 | 10.1016/j.bmcl.2017.05.042 | ||
| 52176747 | 159007 | 1 | None | 2 | 8 | Human | 6.4 | pIC50 | = | 6.4 | 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 | 2 | 8 | Human | 6.4 | pIC50 | = | 6.4 | 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 | ||
| 137636570 | 155863 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 459 | 4 | 0 | 8 | 2.3 | CC1(C)CCCN(c2ccc(N3CCN(S(=O)(=O)c4ccc5c(c4)OCO5)CC3)nn2)C1 | 10.1016/j.bmcl.2017.05.042 | ||
| CHEMBL4060501 | 155863 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 459 | 4 | 0 | 8 | 2.3 | CC1(C)CCCN(c2ccc(N3CCN(S(=O)(=O)c4ccc5c(c4)OCO5)CC3)nn2)C1 | 10.1016/j.bmcl.2017.05.042 | ||
| 137635323 | 156122 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 444 | 5 | 0 | 6 | 4.1 | COc1ccc(Oc2cc(N3CCC(C(=O)N4CCc5ccccc5C4)CC3)ncn2)cc1 | 10.1016/j.bmcl.2017.04.009 | ||
| CHEMBL4063633 | 156122 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 444 | 5 | 0 | 6 | 4.1 | COc1ccc(Oc2cc(N3CCC(C(=O)N4CCc5ccccc5C4)CC3)ncn2)cc1 | 10.1016/j.bmcl.2017.04.009 | ||
| 137636570 | 155863 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 459 | 4 | 0 | 8 | 2.3 | CC1(C)CCCN(c2ccc(N3CCN(S(=O)(=O)c4ccc5c(c4)OCO5)CC3)nn2)C1 | 10.1016/j.bmcl.2017.05.042 | ||
| CHEMBL4060501 | 155863 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 459 | 4 | 0 | 8 | 2.3 | CC1(C)CCCN(c2ccc(N3CCN(S(=O)(=O)c4ccc5c(c4)OCO5)CC3)nn2)C1 | 10.1016/j.bmcl.2017.05.042 | ||
| 9308 | 17722 | 21 | None | -3 | 9 | Rat | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 174 | 2 | 1 | 2 | 0.2 | C[C@@H]1O[C@H](C[N+](C)(C)C)C[C@H]1O | 10.1021/jm9705115 | ||
| CHEMBL1255785 | 17722 | 21 | None | -3 | 9 | Rat | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 174 | 2 | 1 | 2 | 0.2 | C[C@@H]1O[C@H](C[N+](C)(C)C)C[C@H]1O | 10.1021/jm9705115 | ||
| CHEMBL12587 | 17722 | 21 | None | -3 | 9 | Rat | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 174 | 2 | 1 | 2 | 0.2 | C[C@@H]1O[C@H](C[N+](C)(C)C)C[C@H]1O | 10.1021/jm9705115 | ||
| CHEMBL292911 | 17722 | 21 | None | -3 | 9 | Rat | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 174 | 2 | 1 | 2 | 0.2 | C[C@@H]1O[C@H](C[N+](C)(C)C)C[C@H]1O | 10.1021/jm9705115 | ||
| 137654353 | 158992 | 0 | None | -1 | 6 | Rat | 6.3 | pIC50 | = | 6.3 | 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 | -1 | 6 | Rat | 6.3 | pIC50 | = | 6.3 | 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 | ||
| 10092649 | 193049 | 56 | None | -6 | 11 | Rat | 6.3 | pIC50 | = | 6.3 | 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 | -6 | 11 | Rat | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 404 | 4 | 1 | 4 | 3.9 | Cc1ccccc1CN1CCC(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1 | 10.1016/j.bmcl.2012.10.132 | ||
| 10092649 | 193049 | 56 | None | -6 | 11 | Rat | 6.3 | pIC50 | = | 6.3 | 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 | -6 | 11 | Rat | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 404 | 4 | 1 | 4 | 3.9 | Cc1ccccc1CN1CCC(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1 | 10.1016/j.bmcl.2012.10.132 | ||
| 1201549 | 594 | 24 | None | -1 | 26 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | 10.1021/acsmedchemlett.0c00626 | ||
| 333 | 594 | 24 | None | -1 | 26 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | 10.1021/acsmedchemlett.0c00626 | ||
| 7601 | 594 | 24 | None | -1 | 26 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | 10.1021/acsmedchemlett.0c00626 | ||
| CHEMBL1201203 | 594 | 24 | None | -1 | 26 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | 10.1021/acsmedchemlett.0c00626 | ||
| CHEMBL438151 | 594 | 24 | None | -1 | 26 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | 10.1021/acsmedchemlett.0c00626 | ||
| DB00245 | 594 | 24 | None | -1 | 26 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | 10.1021/acsmedchemlett.0c00626 | ||
| 138578974 | 184574 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 379 | 5 | 1 | 6 | 3.1 | c1cncc(-c2ccc(N[C@H]3C[C@@H]4CN(CC5CCOCC5)C[C@@H]4C3)nn2)c1 | 10.1021/acsmedchemlett.1c00363 | ||
| CHEMBL4848896 | 184574 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 379 | 5 | 1 | 6 | 3.1 | c1cncc(-c2ccc(N[C@H]3C[C@@H]4CN(CC5CCOCC5)C[C@@H]4C3)nn2)c1 | 10.1021/acsmedchemlett.1c00363 | ||
| 138578974 | 184574 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 379 | 5 | 1 | 6 | 3.1 | c1cncc(-c2ccc(N[C@H]3C[C@@H]4CN(CC5CCOCC5)C[C@@H]4C3)nn2)c1 | 10.1021/acsmedchemlett.1c00363 | ||
| CHEMBL4848896 | 184574 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 379 | 5 | 1 | 6 | 3.1 | c1cncc(-c2ccc(N[C@H]3C[C@@H]4CN(CC5CCOCC5)C[C@@H]4C3)nn2)c1 | 10.1021/acsmedchemlett.1c00363 | ||
| 2551 | 791 | 23 | None | -4 | 13 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0606995 | ||
| 298 | 791 | 23 | None | -4 | 13 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0606995 | ||
| 488 | 791 | 23 | None | -4 | 13 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0606995 | ||
| CHEMBL965 | 791 | 23 | None | -4 | 13 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0606995 | ||
| DB00411 | 791 | 23 | None | -4 | 13 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0606995 | ||
| 137635323 | 156122 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 444 | 5 | 0 | 6 | 4.1 | COc1ccc(Oc2cc(N3CCC(C(=O)N4CCc5ccccc5C4)CC3)ncn2)cc1 | 10.1016/j.bmcl.2017.04.009 | ||
| CHEMBL4063633 | 156122 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 444 | 5 | 0 | 6 | 4.1 | COc1ccc(Oc2cc(N3CCC(C(=O)N4CCc5ccccc5C4)CC3)ncn2)cc1 | 10.1016/j.bmcl.2017.04.009 | ||
| 137659754 | 159236 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 458 | 4 | 0 | 7 | 3.8 | O=C(C1CCN(c2cc(Oc3ccc4c(c3)OCO4)ncn2)CC1)N1CCc2ccccc2C1 | 10.1016/j.bmcl.2017.04.009 | ||
| CHEMBL4099192 | 159236 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 458 | 4 | 0 | 7 | 3.8 | O=C(C1CCN(c2cc(Oc3ccc4c(c3)OCO4)ncn2)CC1)N1CCc2ccccc2C1 | 10.1016/j.bmcl.2017.04.009 | ||
| 168272462 | 190140 | 0 | None | 51 | 2 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 428 | 6 | 1 | 5 | 4.4 | Fc1ccc(F)c(-c2ccc(NC[C@@H]3CC34CCN(CC3CCOCC3)CC4)nn2)c1 | 10.1016/j.bmcl.2021.128479 | ||
| CHEMBL5173887 | 190140 | 0 | None | 51 | 2 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 428 | 6 | 1 | 5 | 4.4 | Fc1ccc(F)c(-c2ccc(NC[C@@H]3CC34CCN(CC3CCOCC3)CC4)nn2)c1 | 10.1016/j.bmcl.2021.128479 | ||
| 137659754 | 159236 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 458 | 4 | 0 | 7 | 3.8 | O=C(C1CCN(c2cc(Oc3ccc4c(c3)OCO4)ncn2)CC1)N1CCc2ccccc2C1 | 10.1016/j.bmcl.2017.04.009 | ||
| CHEMBL4099192 | 159236 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 458 | 4 | 0 | 7 | 3.8 | O=C(C1CCN(c2cc(Oc3ccc4c(c3)OCO4)ncn2)CC1)N1CCc2ccccc2C1 | 10.1016/j.bmcl.2017.04.009 | ||
| 2066745 | 95223 | 8 | None | -10 | 2 | Rat | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 337 | 7 | 1 | 3 | 4.0 | CCCCCC(=O)Nc1ccc(N2CCN(CC)CC2)c(Cl)c1 | 10.1016/j.bmcl.2007.12.051 | ||
| CHEMBL256202 | 95223 | 8 | None | -10 | 2 | Rat | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 337 | 7 | 1 | 3 | 4.0 | CCCCCC(=O)Nc1ccc(N2CCN(CC)CC2)c(Cl)c1 | 10.1016/j.bmcl.2007.12.051 | ||
| 71718588 | 86532 | 0 | None | -1 | 2 | Rat | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 422 | 4 | 1 | 4 | 3.9 | Cc1ccccc1CN1CCC(N2CCC(n3c(=O)[nH]c4ccccc43)C(F)C2)CC1 | 10.1016/j.bmcl.2012.10.132 | ||
| CHEMBL2315675 | 86532 | 0 | None | -1 | 2 | Rat | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 422 | 4 | 1 | 4 | 3.9 | Cc1ccccc1CN1CCC(N2CCC(n3c(=O)[nH]c4ccccc43)C(F)C2)CC1 | 10.1016/j.bmcl.2012.10.132 | ||
| 168272462 | 190140 | 0 | None | 51 | 2 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 428 | 6 | 1 | 5 | 4.4 | Fc1ccc(F)c(-c2ccc(NC[C@@H]3CC34CCN(CC3CCOCC3)CC4)nn2)c1 | 10.1016/j.bmcl.2021.128479 | ||
| CHEMBL5173887 | 190140 | 0 | None | 51 | 2 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 428 | 6 | 1 | 5 | 4.4 | Fc1ccc(F)c(-c2ccc(NC[C@@H]3CC34CCN(CC3CCOCC3)CC4)nn2)c1 | 10.1016/j.bmcl.2021.128479 | ||
| 137637971 | 155855 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 469 | 4 | 0 | 6 | 3.4 | C[C@H]1CCCCN1c1ccc(N2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)nn1 | 10.1016/j.bmcl.2017.05.042 | ||
| CHEMBL4060443 | 155855 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 469 | 4 | 0 | 6 | 3.4 | C[C@H]1CCCCN1c1ccc(N2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)nn1 | 10.1016/j.bmcl.2017.05.042 | ||
| 71718588 | 86532 | 0 | None | -1 | 2 | Rat | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 422 | 4 | 1 | 4 | 3.9 | Cc1ccccc1CN1CCC(N2CCC(n3c(=O)[nH]c4ccccc43)C(F)C2)CC1 | 10.1016/j.bmcl.2012.10.132 | ||
| CHEMBL2315675 | 86532 | 0 | None | -1 | 2 | Rat | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 422 | 4 | 1 | 4 | 3.9 | Cc1ccccc1CN1CCC(N2CCC(n3c(=O)[nH]c4ccccc43)C(F)C2)CC1 | 10.1016/j.bmcl.2012.10.132 | ||
| 137637971 | 155855 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 469 | 4 | 0 | 6 | 3.4 | C[C@H]1CCCCN1c1ccc(N2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)nn1 | 10.1016/j.bmcl.2017.05.042 | ||
| CHEMBL4060443 | 155855 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 469 | 4 | 0 | 6 | 3.4 | C[C@H]1CCCCN1c1ccc(N2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)nn1 | 10.1016/j.bmcl.2017.05.042 | ||
| 49671356 | 157401 | 10 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 435 | 4 | 0 | 6 | 3.0 | CC1CCCCN1c1ccc(N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)nn1 | 10.1016/j.bmcl.2017.05.042 | ||
| CHEMBL4078704 | 157401 | 10 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 435 | 4 | 0 | 6 | 3.0 | CC1CCCCN1c1ccc(N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)nn1 | 10.1016/j.bmcl.2017.05.042 | ||
| 137408797 | 190424 | 0 | None | -18 | 2 | Rat | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 442 | 6 | 1 | 4 | 6.0 | Fc1ccc(Cl)c(-c2ccc(NC[C@H]3CC34CCN(CC3CCCCC3)CC4)nn2)c1 | 10.1016/j.bmcl.2021.128479 | ||
| CHEMBL5178468 | 190424 | 0 | None | -18 | 2 | Rat | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 442 | 6 | 1 | 4 | 6.0 | Fc1ccc(Cl)c(-c2ccc(NC[C@H]3CC34CCN(CC3CCCCC3)CC4)nn2)c1 | 10.1016/j.bmcl.2021.128479 | ||
| 168292831 | 192072 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 410 | 6 | 1 | 5 | 4.2 | Fc1cccc(-c2ccc(NC[C@@H]3CC34CCN(CC3CCOCC3)CC4)nn2)c1 | 10.1016/j.bmcl.2021.128479 | ||
| CHEMBL5203077 | 192072 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 410 | 6 | 1 | 5 | 4.2 | Fc1cccc(-c2ccc(NC[C@@H]3CC34CCN(CC3CCOCC3)CC4)nn2)c1 | 10.1016/j.bmcl.2021.128479 | ||
| 49671356 | 157401 | 10 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 435 | 4 | 0 | 6 | 3.0 | CC1CCCCN1c1ccc(N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)nn1 | 10.1016/j.bmcl.2017.05.042 | ||
| CHEMBL4078704 | 157401 | 10 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 435 | 4 | 0 | 6 | 3.0 | CC1CCCCN1c1ccc(N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)nn1 | 10.1016/j.bmcl.2017.05.042 | ||
| 137408797 | 190424 | 0 | None | -18 | 2 | Rat | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 442 | 6 | 1 | 4 | 6.0 | Fc1ccc(Cl)c(-c2ccc(NC[C@H]3CC34CCN(CC3CCCCC3)CC4)nn2)c1 | 10.1016/j.bmcl.2021.128479 | ||
| CHEMBL5178468 | 190424 | 0 | None | -18 | 2 | Rat | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 442 | 6 | 1 | 4 | 6.0 | Fc1ccc(Cl)c(-c2ccc(NC[C@H]3CC34CCN(CC3CCCCC3)CC4)nn2)c1 | 10.1016/j.bmcl.2021.128479 | ||
| 121053081 | 155971 | 1 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 421 | 4 | 0 | 6 | 2.6 | O=S(=O)(c1ccccc1Cl)N1CCN(c2ccc(N3CCCCC3)nn2)CC1 | 10.1016/j.bmcl.2017.05.042 | ||
| CHEMBL4061815 | 155971 | 1 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 421 | 4 | 0 | 6 | 2.6 | O=S(=O)(c1ccccc1Cl)N1CCN(c2ccc(N3CCCCC3)nn2)CC1 | 10.1016/j.bmcl.2017.05.042 | ||
| 168292831 | 192072 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 410 | 6 | 1 | 5 | 4.2 | Fc1cccc(-c2ccc(NC[C@@H]3CC34CCN(CC3CCOCC3)CC4)nn2)c1 | 10.1016/j.bmcl.2021.128479 | ||
| CHEMBL5203077 | 192072 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 410 | 6 | 1 | 5 | 4.2 | Fc1cccc(-c2ccc(NC[C@@H]3CC34CCN(CC3CCOCC3)CC4)nn2)c1 | 10.1016/j.bmcl.2021.128479 | ||
| 121053081 | 155971 | 1 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 421 | 4 | 0 | 6 | 2.6 | O=S(=O)(c1ccccc1Cl)N1CCN(c2ccc(N3CCCCC3)nn2)CC1 | 10.1016/j.bmcl.2017.05.042 | ||
| CHEMBL4061815 | 155971 | 1 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 421 | 4 | 0 | 6 | 2.6 | O=S(=O)(c1ccccc1Cl)N1CCN(c2ccc(N3CCCCC3)nn2)CC1 | 10.1016/j.bmcl.2017.05.042 | ||
| 137654353 | 158992 | 0 | None | -1 | 6 | Rat | 6.3 | pIC50 | = | 6.3 | 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 | -1 | 6 | Rat | 6.3 | pIC50 | = | 6.3 | 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 | ||
| 49663949 | 158007 | 10 | None | -1 | 2 | Rat | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 442 | 5 | 0 | 5 | 4.6 | CCc1ccc(Oc2cc(N3CCC(C(=O)N4CCc5ccccc5C4)CC3)ncn2)cc1 | 10.1016/j.bmcl.2017.04.009 | ||
| CHEMBL4085711 | 158007 | 10 | None | -1 | 2 | Rat | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 442 | 5 | 0 | 5 | 4.6 | CCc1ccc(Oc2cc(N3CCC(C(=O)N4CCc5ccccc5C4)CC3)ncn2)cc1 | 10.1016/j.bmcl.2017.04.009 | ||
| 137640923 | 157051 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 480 | 5 | 0 | 6 | 4.4 | COc1ccc2c(c1)CCN(C(=O)C1CCN(c3cc(Oc4ccc(F)cc4F)ncn3)CC1)C2 | 10.1016/j.bmcl.2017.04.009 | ||
| CHEMBL4074229 | 157051 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 480 | 5 | 0 | 6 | 4.4 | COc1ccc2c(c1)CCN(C(=O)C1CCN(c3cc(Oc4ccc(F)cc4F)ncn3)CC1)C2 | 10.1016/j.bmcl.2017.04.009 | ||
| 52176746 | 157787 | 1 | None | - | 1 | 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 | ||
| CHEMBL4083307 | 157787 | 1 | None | - | 1 | 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 | ||
| 137640923 | 157051 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 480 | 5 | 0 | 6 | 4.4 | COc1ccc2c(c1)CCN(C(=O)C1CCN(c3cc(Oc4ccc(F)cc4F)ncn3)CC1)C2 | 10.1016/j.bmcl.2017.04.009 | ||
| CHEMBL4074229 | 157051 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 480 | 5 | 0 | 6 | 4.4 | COc1ccc2c(c1)CCN(C(=O)C1CCN(c3cc(Oc4ccc(F)cc4F)ncn3)CC1)C2 | 10.1016/j.bmcl.2017.04.009 | ||
| 49663949 | 158007 | 10 | None | -1 | 2 | Rat | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 442 | 5 | 0 | 5 | 4.6 | CCc1ccc(Oc2cc(N3CCC(C(=O)N4CCc5ccccc5C4)CC3)ncn2)cc1 | 10.1016/j.bmcl.2017.04.009 | ||
| CHEMBL4085711 | 158007 | 10 | None | -1 | 2 | Rat | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 442 | 5 | 0 | 5 | 4.6 | CCc1ccc(Oc2cc(N3CCC(C(=O)N4CCc5ccccc5C4)CC3)ncn2)cc1 | 10.1016/j.bmcl.2017.04.009 | ||
| 52176746 | 157787 | 1 | None | - | 1 | 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 | ||
| CHEMBL4083307 | 157787 | 1 | None | - | 1 | 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 | ||
| 49663929 | 155964 | 13 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 414 | 4 | 0 | 5 | 4.1 | O=C(C1CCN(c2cc(Oc3ccccc3)ncn2)CC1)N1CCc2ccccc2C1 | 10.1016/j.bmcl.2017.04.009 | ||
| CHEMBL4061637 | 155964 | 13 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 414 | 4 | 0 | 5 | 4.1 | O=C(C1CCN(c2cc(Oc3ccccc3)ncn2)CC1)N1CCc2ccccc2C1 | 10.1016/j.bmcl.2017.04.009 | ||
| 16094793 | 83293 | 0 | None | -12 | 2 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 467 | 16 | 0 | 12 | 3.1 | COc1nsc(OCCCOCCCOCCCOc2nsnc2-c2cccnc2)n1 | 10.1021/jm0606995 | ||
| CHEMBL219118 | 83293 | 0 | None | -12 | 2 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 467 | 16 | 0 | 12 | 3.1 | COc1nsc(OCCCOCCCOCCCOc2nsnc2-c2cccnc2)n1 | 10.1021/jm0606995 | ||
| 49663929 | 155964 | 13 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 414 | 4 | 0 | 5 | 4.1 | O=C(C1CCN(c2cc(Oc3ccccc3)ncn2)CC1)N1CCc2ccccc2C1 | 10.1016/j.bmcl.2017.04.009 | ||
| CHEMBL4061637 | 155964 | 13 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 414 | 4 | 0 | 5 | 4.1 | O=C(C1CCN(c2cc(Oc3ccccc3)ncn2)CC1)N1CCc2ccccc2C1 | 10.1016/j.bmcl.2017.04.009 | ||
| 137636004 | 156095 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 431 | 4 | 0 | 8 | 1.7 | O=S(=O)(c1ccc2c(c1)OCO2)N1CCN(c2ccc(N3CCCCC3)nn2)CC1 | 10.1016/j.bmcl.2017.05.042 | ||
| CHEMBL4063271 | 156095 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 431 | 4 | 0 | 8 | 1.7 | O=S(=O)(c1ccc2c(c1)OCO2)N1CCN(c2ccc(N3CCCCC3)nn2)CC1 | 10.1016/j.bmcl.2017.05.042 | ||
| 952858 | 97700 | 4 | None | -20 | 3 | Rat | 4.2 | pIC50 | = | 4.2 | Functional | ChEMBL | 343 | 4 | 1 | 3 | 3.7 | CCN1CCN(c2ccc(NC(=O)c3ccccc3)cc2Cl)CC1 | 10.1016/j.bmcl.2007.12.051 | ||
| CHEMBL271519 | 97700 | 4 | None | -20 | 3 | Rat | 4.2 | pIC50 | = | 4.2 | Functional | ChEMBL | 343 | 4 | 1 | 3 | 3.7 | CCN1CCN(c2ccc(NC(=O)c3ccccc3)cc2Cl)CC1 | 10.1016/j.bmcl.2007.12.051 | ||
| 25070582 | 61424 | 28 | None | -134 | 9 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 239 | 2 | 1 | 3 | 1.8 | c1ccc(Cc2ncc3c(n2)CCNCC3)cc1 | 10.1016/j.bmcl.2010.11.120 | ||
| CHEMBL1770373 | 61424 | 28 | None | -134 | 9 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 239 | 2 | 1 | 3 | 1.8 | c1ccc(Cc2ncc3c(n2)CCNCC3)cc1 | 10.1016/j.bmcl.2010.11.120 | ||
| 137639344 | 156882 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 464 | 4 | 0 | 5 | 5.2 | O=C(C1CCN(c2cc(Oc3ccc4ccccc4c3)ncn2)CC1)N1CCc2ccccc2C1 | 10.1016/j.bmcl.2017.04.009 | ||
| CHEMBL4072231 | 156882 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 464 | 4 | 0 | 5 | 5.2 | O=C(C1CCN(c2cc(Oc3ccc4ccccc4c3)ncn2)CC1)N1CCc2ccccc2C1 | 10.1016/j.bmcl.2017.04.009 | ||
| 156493614 | 185376 | 0 | None | 338 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 396 | 5 | 1 | 5 | 3.8 | Fc1ccc(-c2ccc(N[C@H]3C[C@@H]4CN(CC5CCOCC5)C[C@@H]4C3)nn2)cc1 | 10.1021/acsmedchemlett.1c00363 | ||
| CHEMBL4860985 | 185376 | 0 | None | 338 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 396 | 5 | 1 | 5 | 3.8 | Fc1ccc(-c2ccc(N[C@H]3C[C@@H]4CN(CC5CCOCC5)C[C@@H]4C3)nn2)cc1 | 10.1021/acsmedchemlett.1c00363 | ||
| 164621386 | 185691 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 447 | 5 | 1 | 6 | 3.3 | CN1Cc2cc(-c3ccc(N[C@H]4C[C@@H]5CN(CC6CCOCC6)C[C@@H]5C4)nn3)ccc2C1=O | 10.1021/acsmedchemlett.1c00363 | ||
| CHEMBL4865665 | 185691 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 447 | 5 | 1 | 6 | 3.3 | CN1Cc2cc(-c3ccc(N[C@H]4C[C@@H]5CN(CC6CCOCC6)C[C@@H]5C4)nn3)ccc2C1=O | 10.1021/acsmedchemlett.1c00363 | ||
| 156493614 | 185376 | 0 | None | 338 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 396 | 5 | 1 | 5 | 3.8 | Fc1ccc(-c2ccc(N[C@H]3C[C@@H]4CN(CC5CCOCC5)C[C@@H]4C3)nn2)cc1 | 10.1021/acsmedchemlett.1c00363 | ||
| CHEMBL4860985 | 185376 | 0 | None | 338 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 396 | 5 | 1 | 5 | 3.8 | Fc1ccc(-c2ccc(N[C@H]3C[C@@H]4CN(CC5CCOCC5)C[C@@H]4C3)nn2)cc1 | 10.1021/acsmedchemlett.1c00363 | ||
| 164621386 | 185691 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 447 | 5 | 1 | 6 | 3.3 | CN1Cc2cc(-c3ccc(N[C@H]4C[C@@H]5CN(CC6CCOCC6)C[C@@H]5C4)nn3)ccc2C1=O | 10.1021/acsmedchemlett.1c00363 | ||
| CHEMBL4865665 | 185691 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 447 | 5 | 1 | 6 | 3.3 | CN1Cc2cc(-c3ccc(N[C@H]4C[C@@H]5CN(CC6CCOCC6)C[C@@H]5C4)nn3)ccc2C1=O | 10.1021/acsmedchemlett.1c00363 | ||
| 137408738 | 191206 | 1 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 449 | 7 | 2 | 6 | 4.0 | CC(=O)Nc1ccc(-c2ccc(NC[C@@H]3CC34CCN(CC3CCOCC3)CC4)nn2)cc1 | 10.1016/j.bmcl.2021.128479 | ||
| CHEMBL5189893 | 191206 | 1 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 449 | 7 | 2 | 6 | 4.0 | CC(=O)Nc1ccc(-c2ccc(NC[C@@H]3CC34CCN(CC3CCOCC3)CC4)nn2)cc1 | 10.1016/j.bmcl.2021.128479 | ||
| 1726 | 2480 | 13 | None | -87 | 8 | Rat | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 160 | 3 | 0 | 2 | 0.6 | CC(C[N+](C)(C)C)OC(=O)C | 10.1021/jm9705115 | ||
| 1993 | 2480 | 13 | None | -87 | 8 | Rat | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 160 | 3 | 0 | 2 | 0.6 | CC(C[N+](C)(C)C)OC(=O)C | 10.1021/jm9705115 | ||
| 7438 | 2480 | 13 | None | -87 | 8 | Rat | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 160 | 3 | 0 | 2 | 0.6 | CC(C[N+](C)(C)C)OC(=O)C | 10.1021/jm9705115 | ||
| CHEMBL978 | 2480 | 13 | None | -87 | 8 | Rat | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 160 | 3 | 0 | 2 | 0.6 | CC(C[N+](C)(C)C)OC(=O)C | 10.1021/jm9705115 | ||
| DB06709 | 2480 | 13 | None | -87 | 8 | Rat | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 160 | 3 | 0 | 2 | 0.6 | CC(C[N+](C)(C)C)OC(=O)C | 10.1021/jm9705115 | ||
| 137642171 | 158474 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 435 | 4 | 0 | 6 | 3.0 | C[C@H]1CCCCN1c1ccc(N2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)nn1 | 10.1016/j.bmcl.2017.05.042 | ||
| CHEMBL4091095 | 158474 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 435 | 4 | 0 | 6 | 3.0 | C[C@H]1CCCCN1c1ccc(N2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)nn1 | 10.1016/j.bmcl.2017.05.042 | ||
| 137408738 | 191206 | 1 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 449 | 7 | 2 | 6 | 4.0 | CC(=O)Nc1ccc(-c2ccc(NC[C@@H]3CC34CCN(CC3CCOCC3)CC4)nn2)cc1 | 10.1016/j.bmcl.2021.128479 | ||
| CHEMBL5189893 | 191206 | 1 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 449 | 7 | 2 | 6 | 4.0 | CC(=O)Nc1ccc(-c2ccc(NC[C@@H]3CC34CCN(CC3CCOCC3)CC4)nn2)cc1 | 10.1016/j.bmcl.2021.128479 | ||
| 137639344 | 156882 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 464 | 4 | 0 | 5 | 5.2 | O=C(C1CCN(c2cc(Oc3ccc4ccccc4c3)ncn2)CC1)N1CCc2ccccc2C1 | 10.1016/j.bmcl.2017.04.009 | ||
| CHEMBL4072231 | 156882 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 464 | 4 | 0 | 5 | 5.2 | O=C(C1CCN(c2cc(Oc3ccc4ccccc4c3)ncn2)CC1)N1CCc2ccccc2C1 | 10.1016/j.bmcl.2017.04.009 | ||
| 168296286 | 192349 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 410 | 6 | 1 | 5 | 4.2 | Fc1ccccc1-c1ccc(NC[C@@H]2CC23CCN(CC2CCOCC2)CC3)nn1 | 10.1016/j.bmcl.2021.128479 | ||
| CHEMBL5207446 | 192349 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 410 | 6 | 1 | 5 | 4.2 | Fc1ccccc1-c1ccc(NC[C@@H]2CC23CCN(CC2CCOCC2)CC3)nn1 | 10.1016/j.bmcl.2021.128479 | ||
| 168296286 | 192349 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 410 | 6 | 1 | 5 | 4.2 | Fc1ccccc1-c1ccc(NC[C@@H]2CC23CCN(CC2CCOCC2)CC3)nn1 | 10.1016/j.bmcl.2021.128479 | ||
| CHEMBL5207446 | 192349 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 410 | 6 | 1 | 5 | 4.2 | Fc1ccccc1-c1ccc(NC[C@@H]2CC23CCN(CC2CCOCC2)CC3)nn1 | 10.1016/j.bmcl.2021.128479 | ||
| 142562194 | 191634 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 458 | 6 | 1 | 5 | 5.3 | Fc1ccc(Cl)c(-c2ccc(NCC3CC4(CCN(CC5CCOCC5)CC4)C3)nn2)c1 | 10.1016/j.bmcl.2021.128479 | ||
| CHEMBL5196196 | 191634 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 458 | 6 | 1 | 5 | 5.3 | Fc1ccc(Cl)c(-c2ccc(NCC3CC4(CCN(CC5CCOCC5)CC4)C3)nn2)c1 | 10.1016/j.bmcl.2021.128479 | ||
| 137636004 | 156095 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 431 | 4 | 0 | 8 | 1.7 | O=S(=O)(c1ccc2c(c1)OCO2)N1CCN(c2ccc(N3CCCCC3)nn2)CC1 | 10.1016/j.bmcl.2017.05.042 | ||
| CHEMBL4063271 | 156095 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 431 | 4 | 0 | 8 | 1.7 | O=S(=O)(c1ccc2c(c1)OCO2)N1CCN(c2ccc(N3CCCCC3)nn2)CC1 | 10.1016/j.bmcl.2017.05.042 | ||
| 142562194 | 191634 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 458 | 6 | 1 | 5 | 5.3 | Fc1ccc(Cl)c(-c2ccc(NCC3CC4(CCN(CC5CCOCC5)CC4)C3)nn2)c1 | 10.1016/j.bmcl.2021.128479 | ||
| CHEMBL5196196 | 191634 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 458 | 6 | 1 | 5 | 5.3 | Fc1ccc(Cl)c(-c2ccc(NCC3CC4(CCN(CC5CCOCC5)CC4)C3)nn2)c1 | 10.1016/j.bmcl.2021.128479 | ||
| 10092649 | 193049 | 56 | None | -9 | 11 | Human | 6.1 | pIC50 | = | 6.1 | 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 | -9 | 11 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 404 | 4 | 1 | 4 | 3.9 | Cc1ccccc1CN1CCC(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1 | 10.1016/j.bmcl.2012.10.132 | ||
| 10092649 | 193049 | 56 | None | -9 | 11 | Human | 6.1 | pIC50 | = | 6.1 | 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 | -9 | 11 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 404 | 4 | 1 | 4 | 3.9 | Cc1ccccc1CN1CCC(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1 | 10.1016/j.bmcl.2012.10.132 | ||
| 137642171 | 158474 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 435 | 4 | 0 | 6 | 3.0 | C[C@H]1CCCCN1c1ccc(N2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)nn1 | 10.1016/j.bmcl.2017.05.042 | ||
| CHEMBL4091095 | 158474 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 435 | 4 | 0 | 6 | 3.0 | C[C@H]1CCCCN1c1ccc(N2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)nn1 | 10.1016/j.bmcl.2017.05.042 | ||
| 137642731 | 158193 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 450 | 4 | 0 | 5 | 4.3 | O=C(C1CCN(c2cc(Oc3cc(F)ccc3F)ncn2)CC1)N1CCc2ccccc2C1 | 10.1016/j.bmcl.2017.04.009 | ||
| CHEMBL4088103 | 158193 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 450 | 4 | 0 | 5 | 4.3 | O=C(C1CCN(c2cc(Oc3cc(F)ccc3F)ncn2)CC1)N1CCc2ccccc2C1 | 10.1016/j.bmcl.2017.04.009 | ||
| 2067745 | 97516 | 4 | None | -13 | 2 | Rat | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 415 | 8 | 1 | 4 | 4.9 | CCCCOc1cccc(C(=O)Nc2ccc(N3CCN(CC)CC3)c(Cl)c2)c1 | 10.1016/j.bmcl.2007.12.051 | ||
| CHEMBL270580 | 97516 | 4 | None | -13 | 2 | Rat | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 415 | 8 | 1 | 4 | 4.9 | CCCCOc1cccc(C(=O)Nc2ccc(N3CCN(CC)CC3)c(Cl)c2)c1 | 10.1016/j.bmcl.2007.12.051 | ||
| 16094791 | 83228 | 0 | None | -10 | 3 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 443 | 13 | 0 | 12 | 1.6 | COc1nsnc1OCCOCCOCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm0606995 | ||
| CHEMBL218755 | 83228 | 0 | None | -10 | 3 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 443 | 13 | 0 | 12 | 1.6 | COc1nsnc1OCCOCCOCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm0606995 | ||
| 16094783 | 136542 | 0 | None | -100 | 3 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 399 | 10 | 0 | 11 | 1.6 | COc1nsnc1OCCOCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm0606995 | ||
| CHEMBL373888 | 136542 | 0 | None | -100 | 3 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 399 | 10 | 0 | 11 | 1.6 | COc1nsnc1OCCOCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm0606995 | ||
| 137642731 | 158193 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 450 | 4 | 0 | 5 | 4.3 | O=C(C1CCN(c2cc(Oc3cc(F)ccc3F)ncn2)CC1)N1CCc2ccccc2C1 | 10.1016/j.bmcl.2017.04.009 | ||
| CHEMBL4088103 | 158193 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 450 | 4 | 0 | 5 | 4.3 | O=C(C1CCN(c2cc(Oc3cc(F)ccc3F)ncn2)CC1)N1CCc2ccccc2C1 | 10.1016/j.bmcl.2017.04.009 | ||
| 152072967 | 192214 | 0 | None | -6 | 2 | Rat | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 442 | 6 | 1 | 4 | 6.0 | Fc1ccc(Cl)c(-c2ccc(NC[C@@H]3CC34CCN(CC3CCCCC3)CC4)nn2)c1 | 10.1016/j.bmcl.2021.128479 | ||
| CHEMBL5205163 | 192214 | 0 | None | -6 | 2 | Rat | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 442 | 6 | 1 | 4 | 6.0 | Fc1ccc(Cl)c(-c2ccc(NC[C@@H]3CC34CCN(CC3CCCCC3)CC4)nn2)c1 | 10.1016/j.bmcl.2021.128479 | ||
| 152072967 | 192214 | 0 | None | -6 | 2 | Rat | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 442 | 6 | 1 | 4 | 6.0 | Fc1ccc(Cl)c(-c2ccc(NC[C@@H]3CC34CCN(CC3CCCCC3)CC4)nn2)c1 | 10.1016/j.bmcl.2021.128479 | ||
| CHEMBL5205163 | 192214 | 0 | None | -6 | 2 | Rat | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 442 | 6 | 1 | 4 | 6.0 | Fc1ccc(Cl)c(-c2ccc(NC[C@@H]3CC34CCN(CC3CCCCC3)CC4)nn2)c1 | 10.1016/j.bmcl.2021.128479 | ||
| 137653550 | 158790 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 420 | 4 | 0 | 8 | 2.0 | Cc1noc(C)c1S(=O)(=O)N1CCN(c2ccc(N3CCCC[C@@H]3C)nn2)CC1 | 10.1016/j.bmcl.2017.05.042 | ||
| CHEMBL4094472 | 158790 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 420 | 4 | 0 | 8 | 2.0 | Cc1noc(C)c1S(=O)(=O)N1CCN(c2ccc(N3CCCC[C@@H]3C)nn2)CC1 | 10.1016/j.bmcl.2017.05.042 | ||
| 156015153 | 178283 | 0 | None | -1 | 2 | Human | 7.0 | pIC50 | = | 7.0 | Functional | 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 | -1 | 2 | Human | 7.0 | pIC50 | = | 7.0 | Functional | 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 | -1 | 2 | Human | 7.0 | pIC50 | = | 7.0 | Functional | 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 | ||
| 137653550 | 158790 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 420 | 4 | 0 | 8 | 2.0 | Cc1noc(C)c1S(=O)(=O)N1CCN(c2ccc(N3CCCC[C@@H]3C)nn2)CC1 | 10.1016/j.bmcl.2017.05.042 | ||
| CHEMBL4094472 | 158790 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 420 | 4 | 0 | 8 | 2.0 | Cc1noc(C)c1S(=O)(=O)N1CCN(c2ccc(N3CCCC[C@@H]3C)nn2)CC1 | 10.1016/j.bmcl.2017.05.042 | ||
| 137647679 | 157723 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 449 | 4 | 0 | 6 | 3.3 | CC1(C)CCCN(c2ccc(N3CCN(S(=O)(=O)c4ccccc4Cl)CC3)nn2)C1 | 10.1016/j.bmcl.2017.05.042 | ||
| CHEMBL4082397 | 157723 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 449 | 4 | 0 | 6 | 3.3 | CC1(C)CCCN(c2ccc(N3CCN(S(=O)(=O)c4ccccc4Cl)CC3)nn2)C1 | 10.1016/j.bmcl.2017.05.042 | ||
| 137647679 | 157723 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 449 | 4 | 0 | 6 | 3.3 | CC1(C)CCCN(c2ccc(N3CCN(S(=O)(=O)c4ccccc4Cl)CC3)nn2)C1 | 10.1016/j.bmcl.2017.05.042 | ||
| CHEMBL4082397 | 157723 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 449 | 4 | 0 | 6 | 3.3 | CC1(C)CCCN(c2ccc(N3CCN(S(=O)(=O)c4ccccc4Cl)CC3)nn2)C1 | 10.1016/j.bmcl.2017.05.042 | ||
| 324 | 1912 | 15 | None | - | 5 | Mouse | 8.0 | pKd | = | 8.0 | Functional | 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(00)80534-X | ||
| 6436265 | 1912 | 15 | None | - | 5 | Mouse | 8.0 | pKd | = | 8.0 | Functional | 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(00)80534-X | ||
| CHEMBL277642 | 1912 | 15 | None | - | 5 | Mouse | 8.0 | pKd | = | 8.0 | Functional | 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(00)80534-X | ||
| 324 | 1912 | 15 | None | - | 5 | Rat | 8.3 | pKd | = | 8.3 | Functional | 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(00)80534-X | ||
| 6436265 | 1912 | 15 | None | - | 5 | Rat | 8.3 | pKd | = | 8.3 | Functional | 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(00)80534-X | ||
| CHEMBL277642 | 1912 | 15 | None | - | 5 | Rat | 8.3 | pKd | = | 8.3 | Functional | 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(00)80534-X | ||
| 316 | 2816 | 19 | None | -4 | 8 | Human | 8.2 | pKd | = | 8.2 | Functional | 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 | -4 | 8 | Human | 8.2 | pKd | = | 8.2 | Functional | 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 | -4 | 8 | Human | 8.2 | pKd | = | 8.2 | Functional | 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 | -4 | 8 | Human | 8.2 | pKd | = | 8.2 | Functional | 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 | -4 | 8 | Human | 8.2 | pKd | = | 8.2 | Functional | 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 | -4 | 8 | Human | 8.2 | pKd | = | 8.2 | Functional | 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 | ||
| 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 | ||
| 123603 | 880 | 29 | None | 1 | 5 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 199 | 0 | 0 | 3 | 1.6 | CC1SCC2(O1)CN1CCC2CC1 | None | ||
| 2684 | 880 | 29 | None | 1 | 5 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 199 | 0 | 0 | 3 | 1.6 | CC1SCC2(O1)CN1CCC2CC1 | None | ||
| 584 | 880 | 29 | None | 1 | 5 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 199 | 0 | 0 | 3 | 1.6 | CC1SCC2(O1)CN1CCC2CC1 | None | ||
| 9658 | 880 | 29 | None | 1 | 5 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 199 | 0 | 0 | 3 | 1.6 | CC1SCC2(O1)CN1CCC2CC1 | None | ||
| CHEMBL168815 | 880 | 29 | None | 1 | 5 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 199 | 0 | 0 | 3 | 1.6 | CC1SCC2(O1)CN1CCC2CC1 | None | ||
| 2166 | 3101 | 49 | None | -2 | 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 | -2 | 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 | -2 | 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 | -2 | 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 | -2 | 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 | ||
| 135398737 | 955 | 93 | None | -8 | 43 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 38 | 955 | 93 | None | -8 | 43 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 722 | 955 | 93 | None | -8 | 43 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| CHEMBL42 | 955 | 93 | None | -8 | 43 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| DB00363 | 955 | 93 | None | -8 | 43 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 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 | ||
| 306 | 3430 | 21 | None | 1 | 5 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 193 | 2 | 0 | 4 | 0.9 | CO/N=C(/[C@H]1CN2CCC1CC2)\C#N | None | ||
| 3536 | 3430 | 21 | None | 1 | 5 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 193 | 2 | 0 | 4 | 0.9 | CO/N=C(/[C@H]1CN2CCC1CC2)\C#N | None | ||
| 53930639 | 3430 | 21 | None | 1 | 5 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 193 | 2 | 0 | 4 | 0.9 | CO/N=C(/[C@H]1CN2CCC1CC2)\C#N | None | ||
| 9577995 | 3430 | 21 | None | 1 | 5 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 193 | 2 | 0 | 4 | 0.9 | CO/N=C(/[C@H]1CN2CCC1CC2)\C#N | None | ||
| CHEMBL134641 | 3430 | 21 | None | 1 | 5 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 193 | 2 | 0 | 4 | 0.9 | CO/N=C(/[C@H]1CN2CCC1CC2)\C#N | None | ||
| 12301 | 4016 | 30 | None | -7 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | Guide to Pharmacology | 444 | 4 | 2 | 7 | 3.1 | Cc1c(nnc2c1c(c(s2)C(=O)NCc1ccc(cc1)S(=O)(=O)C(F)(F)F)N)C | 25137629 | ||
| 73774630 | 4016 | 30 | None | -7 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | Guide to Pharmacology | 444 | 4 | 2 | 7 | 3.1 | Cc1c(nnc2c1c(c(s2)C(=O)NCc1ccc(cc1)S(=O)(=O)C(F)(F)F)N)C | 25137629 | ||
| CHEMBL3915634 | 4016 | 30 | None | -7 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | Guide to Pharmacology | 444 | 4 | 2 | 7 | 3.1 | Cc1c(nnc2c1c(c(s2)C(=O)NCc1ccc(cc1)S(=O)(=O)C(F)(F)F)N)C | 25137629 | ||
| 1541501 | 3993 | 29 | None | - | 1 | Rat | 6.4 | pEC50 | = | 6.4 | Functional | Guide to Pharmacology | 355 | 3 | 2 | 6 | 3.2 | Cc1cc(C)c2c(n1)sc(c2N)C(=O)NCc1ccc2c(c1)OCO2 | 18772318 | ||
| 3256 | 3993 | 29 | None | - | 1 | Rat | 6.4 | pEC50 | = | 6.4 | Functional | Guide to Pharmacology | 355 | 3 | 2 | 6 | 3.2 | Cc1cc(C)c2c(n1)sc(c2N)C(=O)NCc1ccc2c(c1)OCO2 | 18772318 | ||
| CHEMBL4461667 | 3993 | 29 | None | - | 1 | Rat | 6.4 | pEC50 | = | 6.4 | Functional | Guide to Pharmacology | 355 | 3 | 2 | 6 | 3.2 | Cc1cc(C)c2c(n1)sc(c2N)C(=O)NCc1ccc2c(c1)OCO2 | 18772318 | ||
| 3263 | 3994 | 58 | None | 1 | 2 | Rat | 6.4 | pEC50 | = | 6.4 | Functional | Guide to Pharmacology | 341 | 4 | 2 | 5 | 3.4 | COc1ccc(cc1)CNC(=O)c1sc2c(c1N)c(C)cc(n2)C | 18772318 | ||
| 864492 | 3994 | 58 | None | 1 | 2 | Rat | 6.4 | pEC50 | = | 6.4 | Functional | Guide to Pharmacology | 341 | 4 | 2 | 5 | 3.4 | COc1ccc(cc1)CNC(=O)c1sc2c(c1N)c(C)cc(n2)C | 18772318 | ||
| CHEMBL1978713 | 3994 | 58 | None | 1 | 2 | Rat | 6.4 | pEC50 | = | 6.4 | Functional | Guide to Pharmacology | 341 | 4 | 2 | 5 | 3.4 | COc1ccc(cc1)CNC(=O)c1sc2c(c1N)c(C)cc(n2)C | 18772318 | ||
| 12301 | 4016 | 30 | None | 7 | 2 | Rat | 7.8 | pEC50 | = | 7.8 | Functional | Guide to Pharmacology | 444 | 4 | 2 | 7 | 3.1 | Cc1c(nnc2c1c(c(s2)C(=O)NCc1ccc(cc1)S(=O)(=O)C(F)(F)F)N)C | 25137629 | ||
| 73774630 | 4016 | 30 | None | 7 | 2 | Rat | 7.8 | pEC50 | = | 7.8 | Functional | Guide to Pharmacology | 444 | 4 | 2 | 7 | 3.1 | Cc1c(nnc2c1c(c(s2)C(=O)NCc1ccc(cc1)S(=O)(=O)C(F)(F)F)N)C | 25137629 | ||
| CHEMBL3915634 | 4016 | 30 | None | 7 | 2 | Rat | 7.8 | pEC50 | = | 7.8 | Functional | Guide to Pharmacology | 444 | 4 | 2 | 7 | 3.1 | Cc1c(nnc2c1c(c(s2)C(=O)NCc1ccc(cc1)S(=O)(=O)C(F)(F)F)N)C | 25137629 | ||
| 288 | 251 | 0 | None | -7 | 5 | Human | 4.8 | pEC50 | None | 4.8 | Functional | Guide to Pharmacology | 170 | 1 | 1 | 2 | -0.8 | CC(=O)O[C@H]1C[NH+]2CCC1CC2 | 8968358 | ||
| 6979053 | 251 | 0 | None | -7 | 5 | Human | 4.8 | pEC50 | None | 4.8 | Functional | Guide to Pharmacology | 170 | 1 | 1 | 2 | -0.8 | CC(=O)O[C@H]1C[NH+]2CCC1CC2 | 8968358 | ||
| 286 | 252 | 0 | None | -7 | 5 | Human | 5.4 | pEC50 | None | 5.4 | Functional | Guide to Pharmacology | 170 | 1 | 1 | 2 | -0.8 | CC(=O)O[C@@H]1C[NH+]2CCC1CC2 | 8968358 | ||
| 6954180 | 252 | 0 | None | -7 | 5 | Human | 5.4 | pEC50 | None | 5.4 | Functional | Guide to Pharmacology | 170 | 1 | 1 | 2 | -0.8 | CC(=O)O[C@@H]1C[NH+]2CCC1CC2 | 8968358 | ||
| 11536903 | 2382 | 68 | None | -28 | 2 | Human | 5.2 | pKB | = | 5.2 | Functional | Guide to Pharmacology | 311 | 3 | 2 | 5 | 2.7 | COc1nc2sc(c(c2c(c1Cl)C)N)C(=O)NC1CC1 | 14595031 | ||
| 11536903 | 2382 | 68 | None | -28 | 2 | Human | 5.2 | pKB | = | 5.2 | Functional | Guide to Pharmacology | 311 | 3 | 2 | 5 | 2.7 | COc1nc2sc(c(c2c(c1Cl)C)N)C(=O)NC1CC1 | 18678919 | ||
| 3262 | 2382 | 68 | None | -28 | 2 | Human | 5.2 | pKB | = | 5.2 | Functional | Guide to Pharmacology | 311 | 3 | 2 | 5 | 2.7 | COc1nc2sc(c(c2c(c1Cl)C)N)C(=O)NC1CC1 | 14595031 | ||
| 3262 | 2382 | 68 | None | -28 | 2 | Human | 5.2 | pKB | = | 5.2 | Functional | Guide to Pharmacology | 311 | 3 | 2 | 5 | 2.7 | COc1nc2sc(c(c2c(c1Cl)C)N)C(=O)NC1CC1 | 18678919 | ||
| CHEMBL3770346 | 2382 | 68 | None | -28 | 2 | Human | 5.2 | pKB | = | 5.2 | Functional | Guide to Pharmacology | 311 | 3 | 2 | 5 | 2.7 | COc1nc2sc(c(c2c(c1Cl)C)N)C(=O)NC1CC1 | 14595031 | ||
| CHEMBL3770346 | 2382 | 68 | None | -28 | 2 | Human | 5.2 | pKB | = | 5.2 | Functional | Guide to Pharmacology | 311 | 3 | 2 | 5 | 2.7 | COc1nc2sc(c(c2c(c1Cl)C)N)C(=O)NC1CC1 | 18678919 | ||
| 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 | -10 | 8 | Human | 9.5 | pAC50 | = | 9.5 | 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 | -10 | 8 | Human | 9.5 | pAC50 | = | 9.5 | 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 | -10 | 8 | Human | 9.5 | pAC50 | = | 9.5 | 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 | -10 | 8 | Human | 9.5 | pAC50 | = | 9.5 | 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 | -10 | 8 | Human | 9.5 | pAC50 | = | 9.5 | 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 | -10 | 8 | Human | 9.5 | pAC50 | = | 9.5 | 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 | -10 | 8 | Human | 9.5 | pAC50 | = | 9.5 | 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 | 9.0 | pAC50 | = | 9 | 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 | 9.0 | pAC50 | = | 9 | 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 | 9.0 | pAC50 | = | 9 | 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 | 9.0 | pAC50 | = | 9 | 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 | 9.0 | pAC50 | = | 9 | 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 | 9.0 | pAC50 | = | 9 | 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 | ||
| 25897919 | 55622 | 14 | None | -3 | 8 | Human | 8.9 | pAC50 | = | 8.9 | 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 | -3 | 8 | Human | 8.9 | pAC50 | = | 8.9 | 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 | -3 | 8 | Human | 8.9 | pAC50 | = | 8.9 | 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 | -3 | 8 | Human | 8.9 | pAC50 | = | 8.9 | 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 | 6.0 | pAC50 | = | 6.0 | Binding | ChEMBL | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | ||
| 357 | 2000 | 54 | None | -2 | 27 | Human | 6.0 | pAC50 | = | 6.0 | Binding | ChEMBL | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | ||
| 3696 | 2000 | 54 | None | -2 | 27 | Human | 6.0 | pAC50 | = | 6.0 | Binding | ChEMBL | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL11 | 2000 | 54 | None | -2 | 27 | Human | 6.0 | pAC50 | = | 6.0 | Binding | ChEMBL | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | ||
| DB00458 | 2000 | 54 | None | -2 | 27 | Human | 6.0 | pAC50 | = | 6.0 | Binding | ChEMBL | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | ||
| 3180 | 14441 | 41 | None | - | 0 | Human | 4.9 | pAC50 | = | 4.9 | 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 | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 289 | 8 | 0 | 3 | 3.9 | CCCCOc1ccc(C(=O)CCN2CCCCC2)cc1 | 10.1038/s41467-023-40064-9 | ||
| 2284 | 3160 | 33 | None | -7 | 29 | Human | 5.8 | pAC50 | = | 5.8 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | 10.1038/s41467-023-40064-9 | ||
| 4926 | 3160 | 33 | None | -7 | 29 | Human | 5.8 | pAC50 | = | 5.8 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | 10.1038/s41467-023-40064-9 | ||
| 7281 | 3160 | 33 | None | -7 | 29 | Human | 5.8 | pAC50 | = | 5.8 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL564 | 3160 | 33 | None | -7 | 29 | Human | 5.8 | pAC50 | = | 5.8 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | 10.1038/s41467-023-40064-9 | ||
| DB00420 | 3160 | 33 | None | -7 | 29 | Human | 5.8 | pAC50 | = | 5.8 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | 10.1038/s41467-023-40064-9 | ||
| 135398745 | 2893 | 112 | None | -32 | 66 | Human | 6.5 | pAC50 | = | 6.5 | 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 | -32 | 66 | Human | 6.5 | pAC50 | = | 6.5 | 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 | -32 | 66 | Human | 6.5 | pAC50 | = | 6.5 | 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 | -32 | 66 | Human | 6.5 | pAC50 | = | 6.5 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1038/s41467-023-40064-9 | ||
| 1224 | 1420 | 83 | None | -3 | 13 | Human | 5.5 | pAC50 | = | 5.5 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | 10.1038/s41467-023-40064-9 | ||
| 3100 | 1420 | 83 | None | -3 | 13 | Human | 5.5 | pAC50 | = | 5.5 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | 10.1038/s41467-023-40064-9 | ||
| 8980 | 1420 | 83 | None | -3 | 13 | Human | 5.5 | pAC50 | = | 5.5 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | 10.1038/s41467-023-40064-9 | ||
| 916 | 1420 | 83 | None | -3 | 13 | Human | 5.5 | pAC50 | = | 5.5 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL657 | 1420 | 83 | None | -3 | 13 | Human | 5.5 | pAC50 | = | 5.5 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | 10.1038/s41467-023-40064-9 | ||
| DB01075 | 1420 | 83 | None | -3 | 13 | Human | 5.5 | pAC50 | = | 5.5 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | 10.1038/s41467-023-40064-9 | ||
| 43815 | 186896 | 64 | None | -8 | 25 | Human | 5.5 | pAC50 | = | 5.5 | 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 | -8 | 25 | Human | 5.5 | pAC50 | = | 5.5 | 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 | -8 | 25 | Human | 5.5 | pAC50 | = | 5.5 | Binding | ChEMBL | 329 | 4 | 1 | 4 | 3.3 | Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1 | 10.1038/s41467-023-40064-9 | ||
| 1613 | 2333 | 53 | None | -43 | 45 | Human | 5.4 | pAC50 | = | 5.4 | Binding | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | ||
| 205 | 2333 | 53 | None | -43 | 45 | Human | 5.4 | pAC50 | = | 5.4 | Binding | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | ||
| 3964 | 2333 | 53 | None | -43 | 45 | Human | 5.4 | pAC50 | = | 5.4 | Binding | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL831 | 2333 | 53 | None | -43 | 45 | Human | 5.4 | pAC50 | = | 5.4 | Binding | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | ||
| DB00408 | 2333 | 53 | None | -43 | 45 | Human | 5.4 | pAC50 | = | 5.4 | Binding | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | ||
| 2784 | 949 | 13 | None | - | 3 | Human | 8.3 | pAC50 | = | 8.3 | 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 | 8.3 | pAC50 | = | 8.3 | 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 | 8.3 | pAC50 | = | 8.3 | 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 | 8.3 | pAC50 | = | 8.3 | 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 | 8.3 | pAC50 | = | 8.3 | 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 | 8.3 | pAC50 | = | 8.3 | 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 | ||
| 3158 | 56237 | 27 | None | -40 | 20 | Human | 6.3 | pAC50 | = | 6.3 | Binding | ChEMBL | 279 | 3 | 0 | 2 | 4.0 | CN(C)CCC=C1c2ccccc2COc2ccccc21 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1628227 | 56237 | 27 | None | -40 | 20 | Human | 6.3 | pAC50 | = | 6.3 | Binding | ChEMBL | 279 | 3 | 0 | 2 | 4.0 | CN(C)CCC=C1c2ccccc2COc2ccccc21 | 10.1038/s41467-023-40064-9 | ||
| 1971 | 2846 | 38 | None | -3 | 30 | Human | 6.2 | pAC50 | = | 6.2 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| 2404 | 2846 | 38 | None | -3 | 30 | Human | 6.2 | pAC50 | = | 6.2 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| 4543 | 2846 | 38 | None | -3 | 30 | Human | 6.2 | pAC50 | = | 6.2 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL445 | 2846 | 38 | None | -3 | 30 | Human | 6.2 | pAC50 | = | 6.2 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| DB00540 | 2846 | 38 | None | -3 | 30 | Human | 6.2 | pAC50 | = | 6.2 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| 191 | 402 | 98 | None | -29 | 29 | Human | 5.1 | pAC50 | = | 5.1 | 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 | -29 | 29 | Human | 5.1 | pAC50 | = | 5.1 | 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 | -29 | 29 | Human | 5.1 | pAC50 | = | 5.1 | 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 | -29 | 29 | Human | 5.1 | pAC50 | = | 5.1 | 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 | -29 | 29 | Human | 5.1 | pAC50 | = | 5.1 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | 10.1038/s41467-023-40064-9 | ||
| 72713421 | 102509 | 0 | None | - | 0 | Human | 7.0 | pEC50 | = | 7 | Binding | ChEMBL | 359 | 4 | 2 | 5 | 3.6 | COc1ccc(CNC(=O)c2sc3nc(C)cc(C)c3c2N)cc1F | 10.1021/jm401032k | ||
| CHEMBL2435361 | 102509 | 0 | None | - | 0 | Human | 7.0 | pEC50 | = | 7 | Binding | ChEMBL | 359 | 4 | 2 | 5 | 3.6 | COc1ccc(CNC(=O)c2sc3nc(C)cc(C)c3c2N)cc1F | 10.1021/jm401032k | ||
| CHEMBL3040619 | 102509 | 0 | None | - | 0 | Human | 7.0 | pEC50 | = | 7 | Binding | ChEMBL | 359 | 4 | 2 | 5 | 3.6 | COc1ccc(CNC(=O)c2sc3nc(C)cc(C)c3c2N)cc1F | 10.1021/jm401032k | ||
| CHEMBL5288291 | 194392 | 0 | None | - | 0 | Human | 7.0 | pEC50 | = | 7 | Binding | ChEMBL | 378 | 4 | 2 | 6 | 3.1 | COc1cc(F)c(CNC(=O)c2sc3nnc(C)c(C)c3c2N)c(F)c1 | 10.1021/acsmedchemlett.6b00461 | ||
| CHEMBL5288291 | 194392 | 0 | None | - | 0 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 378 | 4 | 2 | 6 | 3.1 | COc1cc(F)c(CNC(=O)c2sc3nnc(C)c(C)c3c2N)c(F)c1 | 10.1021/acsmedchemlett.6b00461 | ||
| 44176134 | 102508 | 0 | None | - | 0 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 347 | 3 | 2 | 4 | 3.7 | Cc1cc(C)c2c(N)c(C(=O)NCc3cccc(F)c3F)sc2n1 | 10.1021/jm401032k | ||
| CHEMBL2435357 | 102508 | 0 | None | - | 0 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 347 | 3 | 2 | 4 | 3.7 | Cc1cc(C)c2c(N)c(C(=O)NCc3cccc(F)c3F)sc2n1 | 10.1021/jm401032k | ||
| CHEMBL3040618 | 102508 | 0 | None | - | 0 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 347 | 3 | 2 | 4 | 3.7 | Cc1cc(C)c2c(N)c(C(=O)NCc3cccc(F)c3F)sc2n1 | 10.1021/jm401032k | ||
| 44176134 | 102508 | 0 | None | - | 0 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 347 | 3 | 2 | 4 | 3.7 | Cc1cc(C)c2c(N)c(C(=O)NCc3cccc(F)c3F)sc2n1 | 10.1021/jm401032k | ||
| CHEMBL2435357 | 102508 | 0 | None | - | 0 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 347 | 3 | 2 | 4 | 3.7 | Cc1cc(C)c2c(N)c(C(=O)NCc3cccc(F)c3F)sc2n1 | 10.1021/jm401032k | ||
| CHEMBL3040618 | 102508 | 0 | None | - | 0 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 347 | 3 | 2 | 4 | 3.7 | Cc1cc(C)c2c(N)c(C(=O)NCc3cccc(F)c3F)sc2n1 | 10.1021/jm401032k | ||
| 156016090 | 177660 | 0 | None | - | 0 | Rat | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 404 | 3 | 2 | 6 | 2.5 | Cc1c2c(N)c(C(=O)NC3CN(c4ccc(C(F)(F)F)nc4)C3)ccc2nn1C | 10.1016/j.bmcl.2019.126811 | ||
| CHEMBL4641848 | 177660 | 0 | None | - | 0 | Rat | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 404 | 3 | 2 | 6 | 2.5 | Cc1c2c(N)c(C(=O)NC3CN(c4ccc(C(F)(F)F)nc4)C3)ccc2nn1C | 10.1016/j.bmcl.2019.126811 | ||
| 44176127 | 102495 | 0 | None | - | 0 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 329 | 3 | 2 | 4 | 3.6 | Cc1cc(C)c2c(N)c(C(=O)NCc3ccccc3F)sc2n1 | 10.1021/jm401032k | ||
| CHEMBL2435354 | 102495 | 0 | None | - | 0 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 329 | 3 | 2 | 4 | 3.6 | Cc1cc(C)c2c(N)c(C(=O)NCc3ccccc3F)sc2n1 | 10.1021/jm401032k | ||
| CHEMBL3040499 | 102495 | 0 | None | - | 0 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 329 | 3 | 2 | 4 | 3.6 | Cc1cc(C)c2c(N)c(C(=O)NCc3ccccc3F)sc2n1 | 10.1021/jm401032k | ||
| 3263 | 3994 | 58 | None | - | 0 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 341 | 4 | 2 | 5 | 3.4 | COc1ccc(cc1)CNC(=O)c1sc2c(c1N)c(C)cc(n2)C | 10.1021/jm401032k | ||
| 864492 | 3994 | 58 | None | - | 0 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 341 | 4 | 2 | 5 | 3.4 | COc1ccc(cc1)CNC(=O)c1sc2c(c1N)c(C)cc(n2)C | 10.1021/jm401032k | ||
| CHEMBL1978713 | 3994 | 58 | None | - | 0 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 341 | 4 | 2 | 5 | 3.4 | COc1ccc(cc1)CNC(=O)c1sc2c(c1N)c(C)cc(n2)C | 10.1021/jm401032k | ||
| 89777266 | 147883 | 0 | None | - | 0 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 342 | 4 | 2 | 6 | 2.8 | COc1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1 | 10.1021/acsmedchemlett.6b00461 | ||
| CHEMBL3933538 | 147883 | 0 | None | - | 0 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 342 | 4 | 2 | 6 | 2.8 | COc1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1 | 10.1021/acsmedchemlett.6b00461 | ||
| 156013904 | 177215 | 0 | None | - | 0 | Rat | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 395 | 3 | 2 | 7 | 2.0 | Cc1c2c(N)c(C(=O)NC3CN(c4ncc(C#N)cc4Cl)C3)ccc2nn1C | 10.1016/j.bmcl.2019.126811 | ||
| CHEMBL4635732 | 177215 | 0 | None | - | 0 | Rat | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 395 | 3 | 2 | 7 | 2.0 | Cc1c2c(N)c(C(=O)NC3CN(c4ncc(C#N)cc4Cl)C3)ccc2nn1C | 10.1016/j.bmcl.2019.126811 | ||
| 2230 | 464 | 60 | None | -218 | 10 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1021/jm00012a019 | ||
| 296 | 464 | 60 | None | -218 | 10 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1021/jm00012a019 | ||
| CHEMBL7303 | 464 | 60 | None | -218 | 10 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1021/jm00012a019 | ||
| DB04365 | 464 | 60 | None | -218 | 10 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1021/jm00012a019 | ||
| 3263 | 3994 | 58 | None | - | 0 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 341 | 4 | 2 | 5 | 3.4 | COc1ccc(cc1)CNC(=O)c1sc2c(c1N)c(C)cc(n2)C | 10.1021/jm401032k | ||
| 864492 | 3994 | 58 | None | - | 0 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 341 | 4 | 2 | 5 | 3.4 | COc1ccc(cc1)CNC(=O)c1sc2c(c1N)c(C)cc(n2)C | 10.1021/jm401032k | ||
| CHEMBL1978713 | 3994 | 58 | None | - | 0 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 341 | 4 | 2 | 5 | 3.4 | COc1ccc(cc1)CNC(=O)c1sc2c(c1N)c(C)cc(n2)C | 10.1021/jm401032k | ||
| 44176127 | 102495 | 0 | None | - | 0 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 329 | 3 | 2 | 4 | 3.6 | Cc1cc(C)c2c(N)c(C(=O)NCc3ccccc3F)sc2n1 | 10.1021/jm401032k | ||
| CHEMBL2435354 | 102495 | 0 | None | - | 0 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 329 | 3 | 2 | 4 | 3.6 | Cc1cc(C)c2c(N)c(C(=O)NCc3ccccc3F)sc2n1 | 10.1021/jm401032k | ||
| CHEMBL3040499 | 102495 | 0 | None | - | 0 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 329 | 3 | 2 | 4 | 3.6 | Cc1cc(C)c2c(N)c(C(=O)NCc3ccccc3F)sc2n1 | 10.1021/jm401032k | ||
| 44176132 | 102505 | 0 | None | - | 0 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 347 | 3 | 2 | 4 | 3.7 | Cc1cc(C)c2c(N)c(C(=O)NCc3cc(F)ccc3F)sc2n1 | 10.1021/jm401032k | ||
| CHEMBL2435358 | 102505 | 0 | None | - | 0 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 347 | 3 | 2 | 4 | 3.7 | Cc1cc(C)c2c(N)c(C(=O)NCc3cc(F)ccc3F)sc2n1 | 10.1021/jm401032k | ||
| CHEMBL3040593 | 102505 | 0 | None | - | 0 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 347 | 3 | 2 | 4 | 3.7 | Cc1cc(C)c2c(N)c(C(=O)NCc3cc(F)ccc3F)sc2n1 | 10.1021/jm401032k | ||
| 89777266 | 147883 | 0 | None | - | 0 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 342 | 4 | 2 | 6 | 2.8 | COc1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1 | 10.1021/acsmedchemlett.6b00461 | ||
| CHEMBL3933538 | 147883 | 0 | None | - | 0 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 342 | 4 | 2 | 6 | 2.8 | COc1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1 | 10.1021/acsmedchemlett.6b00461 | ||
| 44176132 | 102505 | 0 | None | - | 0 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 347 | 3 | 2 | 4 | 3.7 | Cc1cc(C)c2c(N)c(C(=O)NCc3cc(F)ccc3F)sc2n1 | 10.1021/jm401032k | ||
| CHEMBL2435358 | 102505 | 0 | None | - | 0 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 347 | 3 | 2 | 4 | 3.7 | Cc1cc(C)c2c(N)c(C(=O)NCc3cc(F)ccc3F)sc2n1 | 10.1021/jm401032k | ||
| CHEMBL3040593 | 102505 | 0 | None | - | 0 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 347 | 3 | 2 | 4 | 3.7 | Cc1cc(C)c2c(N)c(C(=O)NCc3cc(F)ccc3F)sc2n1 | 10.1021/jm401032k | ||
| CHEMBL5287096 | 194590 | 0 | None | - | 0 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 602 | 14 | 0 | 5 | 5.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1c[n+](CCCCCC[N+](C)(C)CC(C)(C)CN2C(=O)c3cccc4cccc(c34)C2=O)cn1C | 10.1021/acs.jnatprod.2c01079 | ||
| CHEMBL5315302 | 194590 | 0 | None | - | 0 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 602 | 14 | 0 | 5 | 5.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1c[n+](CCCCCC[N+](C)(C)CC(C)(C)CN2C(=O)c3cccc4cccc(c34)C2=O)cn1C | 10.1021/acs.jnatprod.2c01079 | ||
| 187 | 255 | 39 | None | -6 | 9 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jnatprod.2c01079 | ||
| 294 | 255 | 39 | None | -6 | 9 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jnatprod.2c01079 | ||
| 65 | 255 | 39 | None | -6 | 9 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jnatprod.2c01079 | ||
| 8593 | 255 | 39 | None | -6 | 9 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jnatprod.2c01079 | ||
| CHEMBL667 | 255 | 39 | None | -6 | 9 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jnatprod.2c01079 | ||
| DB03128 | 255 | 39 | None | -6 | 9 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jnatprod.2c01079 | ||
| 72713420 | 102491 | 0 | None | - | 0 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 365 | 3 | 2 | 4 | 3.8 | Cc1cc(C)c2c(N)c(C(=O)NCc3cc(F)cc(F)c3F)sc2n1 | 10.1021/jm401032k | ||
| CHEMBL2435360 | 102491 | 0 | None | - | 0 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 365 | 3 | 2 | 4 | 3.8 | Cc1cc(C)c2c(N)c(C(=O)NCc3cc(F)cc(F)c3F)sc2n1 | 10.1021/jm401032k | ||
| CHEMBL3040457 | 102491 | 0 | None | - | 0 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 365 | 3 | 2 | 4 | 3.8 | Cc1cc(C)c2c(N)c(C(=O)NCc3cc(F)cc(F)c3F)sc2n1 | 10.1021/jm401032k | ||
| 72713420 | 102491 | 0 | None | - | 0 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 365 | 3 | 2 | 4 | 3.8 | Cc1cc(C)c2c(N)c(C(=O)NCc3cc(F)cc(F)c3F)sc2n1 | 10.1021/jm401032k | ||
| CHEMBL2435360 | 102491 | 0 | None | - | 0 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 365 | 3 | 2 | 4 | 3.8 | Cc1cc(C)c2c(N)c(C(=O)NCc3cc(F)cc(F)c3F)sc2n1 | 10.1021/jm401032k | ||
| CHEMBL3040457 | 102491 | 0 | None | - | 0 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 365 | 3 | 2 | 4 | 3.8 | Cc1cc(C)c2c(N)c(C(=O)NCc3cc(F)cc(F)c3F)sc2n1 | 10.1021/jm401032k | ||
| CHEMBL5269733 | 193583 | 0 | None | - | 0 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 361 | 4 | 2 | 7 | 2.4 | COc1ncc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1F | 10.1021/acsmedchemlett.6b00461 | ||
| CHEMBL5269733 | 193583 | 0 | None | - | 0 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 361 | 4 | 2 | 7 | 2.4 | COc1ncc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1F | 10.1021/acsmedchemlett.6b00461 | ||
| 53382542 | 86284 | 0 | None | - | 0 | Rat | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 295 | 2 | 2 | 4 | 3.0 | Cc1nc2sc(C(=O)NC3CC3)c(N)c2c(C)c1Cl | 10.1016/j.bmcl.2012.10.073 | ||
| CHEMBL2313377 | 86284 | 0 | None | - | 0 | Rat | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 295 | 2 | 2 | 4 | 3.0 | Cc1nc2sc(C(=O)NC3CC3)c(N)c2c(C)c1Cl | 10.1016/j.bmcl.2012.10.073 | ||
| 137640201 | 156937 | 2 | None | -575 | 13 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 362 | 6 | 0 | 2 | 4.3 | O=C1CCc2ccccc2N1CCCN1CCC(Cc2ccccc2)CC1 | 10.1021/acs.jmedchem.8b00265 | ||
| CHEMBL4072818 | 156937 | 2 | None | -575 | 13 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 362 | 6 | 0 | 2 | 4.3 | O=C1CCc2ccccc2N1CCCN1CCC(Cc2ccccc2)CC1 | 10.1021/acs.jmedchem.8b00265 | ||
| 53382542 | 86284 | 0 | None | - | 0 | Rat | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 295 | 2 | 2 | 4 | 3.0 | Cc1nc2sc(C(=O)NC3CC3)c(N)c2c(C)c1Cl | 10.1016/j.bmcl.2012.10.073 | ||
| CHEMBL2313377 | 86284 | 0 | None | - | 0 | Rat | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 295 | 2 | 2 | 4 | 3.0 | Cc1nc2sc(C(=O)NC3CC3)c(N)c2c(C)c1Cl | 10.1016/j.bmcl.2012.10.073 | ||
| 91468 | 207041 | 15 | None | - | 0 | Human | 4.8 | pEC50 | = | 4.8 | 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 | 4.8 | pEC50 | = | 4.8 | Binding | ChEMBL | 208 | 3 | 0 | 4 | 1.2 | CC[C@H]1C(=O)OC[C@@H]1Cc1cncn1C | 10.1021/acs.jnatprod.2c01079 | ||
| 156015762 | 177520 | 0 | None | - | 0 | Rat | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 400 | 3 | 1 | 8 | 2.9 | Cn1nnc2ccc3c(NC4CN(c5cc(Cl)ncc5Cl)C4)ncnc3c21 | 10.1016/j.bmcl.2019.126811 | ||
| CHEMBL4640254 | 177520 | 0 | None | - | 0 | Rat | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 400 | 3 | 1 | 8 | 2.9 | Cn1nnc2ccc3c(NC4CN(c5cc(Cl)ncc5Cl)C4)ncnc3c21 | 10.1016/j.bmcl.2019.126811 | ||
| 89777266 | 147883 | 0 | None | - | 0 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 342 | 4 | 2 | 6 | 2.8 | COc1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1 | 10.1016/j.bmcl.2016.11.086 | ||
| CHEMBL3933538 | 147883 | 0 | None | - | 0 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 342 | 4 | 2 | 6 | 2.8 | COc1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1 | 10.1016/j.bmcl.2016.11.086 | ||
| 2551 | 791 | 23 | None | -21 | 11 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm501173q | ||
| 298 | 791 | 23 | None | -21 | 11 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm501173q | ||
| 488 | 791 | 23 | None | -21 | 11 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm501173q | ||
| CHEMBL965 | 791 | 23 | None | -21 | 11 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm501173q | ||
| DB00411 | 791 | 23 | None | -21 | 11 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm501173q | ||
| 156020012 | 178072 | 0 | None | - | 0 | Rat | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 391 | 3 | 2 | 7 | 1.9 | Cn1nnc2ccc(C(=O)NC3CN(c4cc(Cl)ncc4Cl)C3)c(N)c21 | 10.1016/j.bmcl.2019.126811 | ||
| CHEMBL4647876 | 178072 | 0 | None | - | 0 | Rat | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 391 | 3 | 2 | 7 | 1.9 | Cn1nnc2ccc(C(=O)NC3CN(c4cc(Cl)ncc4Cl)C3)c(N)c21 | 10.1016/j.bmcl.2019.126811 | ||
| 3652 | 4066 | 79 | None | -3 | 18 | Human | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm501173q | ||
| 57 | 4066 | 79 | None | -3 | 18 | Human | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm501173q | ||
| 60809 | 4066 | 79 | None | -3 | 18 | Human | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm501173q | ||
| CHEMBL21536 | 4066 | 79 | None | -3 | 18 | Human | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm501173q | ||
| DB15357 | 4066 | 79 | None | -3 | 18 | Human | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm501173q | ||
| 156013280 | 177467 | 0 | None | - | 0 | Rat | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 375 | 3 | 2 | 7 | 1.4 | Cn1nnc2ccc(C(=O)NC3CN(c4ncc(Cl)cc4F)C3)c(N)c21 | 10.1016/j.bmcl.2019.126811 | ||
| CHEMBL4639387 | 177467 | 0 | None | - | 0 | Rat | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 375 | 3 | 2 | 7 | 1.4 | Cn1nnc2ccc(C(=O)NC3CN(c4ncc(Cl)cc4F)C3)c(N)c21 | 10.1016/j.bmcl.2019.126811 | ||
| 156016660 | 177683 | 0 | None | - | 0 | Rat | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 414 | 5 | 2 | 6 | 4.1 | Cc1c2c(ccc3c(NCc4ccc(C(=O)NC5CCCC5)cc4)ncnc32)nn1C | 10.1016/j.bmcl.2019.126811 | ||
| CHEMBL4642156 | 177683 | 0 | None | - | 0 | Rat | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 414 | 5 | 2 | 6 | 4.1 | Cc1c2c(ccc3c(NCc4ccc(C(=O)NC5CCCC5)cc4)ncnc32)nn1C | 10.1016/j.bmcl.2019.126811 | ||
| 53382523 | 76033 | 0 | None | - | 0 | Rat | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 346 | 3 | 2 | 5 | 3.5 | Cc1nc2sc(C(=O)NCc3ccncc3)c(N)c2c(C)c1Cl | 10.1016/j.bmcl.2012.10.073 | ||
| CHEMBL2057417 | 76033 | 0 | None | - | 0 | Rat | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 346 | 3 | 2 | 5 | 3.5 | Cc1nc2sc(C(=O)NCc3ccncc3)c(N)c2c(C)c1Cl | 10.1016/j.bmcl.2012.10.073 | ||
| 53382523 | 76033 | 0 | None | - | 0 | Rat | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 346 | 3 | 2 | 5 | 3.5 | Cc1nc2sc(C(=O)NCc3ccncc3)c(N)c2c(C)c1Cl | 10.1016/j.bmcl.2012.10.073 | ||
| CHEMBL2057417 | 76033 | 0 | None | - | 0 | Rat | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 346 | 3 | 2 | 5 | 3.5 | Cc1nc2sc(C(=O)NCc3ccncc3)c(N)c2c(C)c1Cl | 10.1016/j.bmcl.2012.10.073 | ||
| 118719922 | 115749 | 0 | None | -1 | 5 | Human | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 565 | 14 | 0 | 7 | 6.1 | CN1CCC=C(c2nsnc2OCCCCCCCC2CCN(CCCN3C(=O)CCc4ccccc43)CC2)C1 | 10.1021/jm501173q | ||
| CHEMBL3354068 | 115749 | 0 | None | -1 | 5 | Human | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 565 | 14 | 0 | 7 | 6.1 | CN1CCC=C(c2nsnc2OCCCCCCCC2CCN(CCCN3C(=O)CCc4ccccc43)CC2)C1 | 10.1021/jm501173q | ||
| 156014219 | 177223 | 0 | None | - | 0 | Rat | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 351 | 4 | 1 | 6 | 3.6 | COc1ccc(CNc2ncnc3c2ccc2nn(C)c(C)c23)cc1F | 10.1016/j.bmcl.2019.126811 | ||
| CHEMBL4635909 | 177223 | 0 | None | - | 0 | Rat | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 351 | 4 | 1 | 6 | 3.6 | COc1ccc(CNc2ncnc3c2ccc2nn(C)c(C)c23)cc1F | 10.1016/j.bmcl.2019.126811 | ||
| 3652 | 4066 | 79 | None | -3 | 18 | Human | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm501173q | ||
| 57 | 4066 | 79 | None | -3 | 18 | Human | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm501173q | ||
| 60809 | 4066 | 79 | None | -3 | 18 | Human | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm501173q | ||
| CHEMBL21536 | 4066 | 79 | None | -3 | 18 | Human | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm501173q | ||
| DB15357 | 4066 | 79 | None | -3 | 18 | Human | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm501173q | ||
| 118719926 | 115754 | 0 | None | -102 | 8 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 358 | 9 | 1 | 3 | 3.6 | O=C1CCc2ccccc2N1CCCN1CCC(CCCCCO)CC1 | 10.1021/jm501173q | ||
| CHEMBL3354073 | 115754 | 0 | None | -102 | 8 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 358 | 9 | 1 | 3 | 3.6 | O=C1CCc2ccccc2N1CCCN1CCC(CCCCCO)CC1 | 10.1021/jm501173q | ||
| 16757565 | 15248 | 0 | None | - | 0 | Human | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 329 | 3 | 2 | 4 | 3.6 | Cc1cc(C)c2c(N)c(C(=O)NCc3ccc(F)cc3)sc2n1 | 10.1021/jm401032k | ||
| CHEMBL1212989 | 15248 | 0 | None | - | 0 | Human | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 329 | 3 | 2 | 4 | 3.6 | Cc1cc(C)c2c(N)c(C(=O)NCc3ccc(F)cc3)sc2n1 | 10.1021/jm401032k | ||
| CHEMBL2435356 | 15248 | 0 | None | - | 0 | Human | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 329 | 3 | 2 | 4 | 3.6 | Cc1cc(C)c2c(N)c(C(=O)NCc3ccc(F)cc3)sc2n1 | 10.1021/jm401032k | ||
| 16757565 | 15248 | 0 | None | - | 0 | Human | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 329 | 3 | 2 | 4 | 3.6 | Cc1cc(C)c2c(N)c(C(=O)NCc3ccc(F)cc3)sc2n1 | 10.1021/jm401032k | ||
| CHEMBL1212989 | 15248 | 0 | None | - | 0 | Human | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 329 | 3 | 2 | 4 | 3.6 | Cc1cc(C)c2c(N)c(C(=O)NCc3ccc(F)cc3)sc2n1 | 10.1021/jm401032k | ||
| CHEMBL2435356 | 15248 | 0 | None | - | 0 | Human | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 329 | 3 | 2 | 4 | 3.6 | Cc1cc(C)c2c(N)c(C(=O)NCc3ccc(F)cc3)sc2n1 | 10.1021/jm401032k | ||
| 2551 | 791 | 23 | None | -21 | 11 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.8b00265 | ||
| 298 | 791 | 23 | None | -21 | 11 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.8b00265 | ||
| 488 | 791 | 23 | None | -21 | 11 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.8b00265 | ||
| CHEMBL965 | 791 | 23 | None | -21 | 11 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.8b00265 | ||
| DB00411 | 791 | 23 | None | -21 | 11 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.8b00265 | ||
| 156013839 | 177150 | 0 | None | - | 0 | Rat | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 409 | 4 | 1 | 8 | 3.2 | COc1cc(N2CC(Nc3ncnc4c3ccc3nn(C)c(C)c34)C2)c(Cl)cn1 | 10.1016/j.bmcl.2019.126811 | ||
| CHEMBL4634770 | 177150 | 0 | None | - | 0 | Rat | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 409 | 4 | 1 | 8 | 3.2 | COc1cc(N2CC(Nc3ncnc4c3ccc3nn(C)c(C)c34)C2)c(Cl)cn1 | 10.1016/j.bmcl.2019.126811 | ||
| 2551 | 791 | 23 | None | -21 | 11 | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm501173q | ||
| 298 | 791 | 23 | None | -21 | 11 | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm501173q | ||
| 488 | 791 | 23 | None | -21 | 11 | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm501173q | ||
| CHEMBL965 | 791 | 23 | None | -21 | 11 | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm501173q | ||
| DB00411 | 791 | 23 | None | -21 | 11 | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm501173q | ||
| 3263 | 3994 | 58 | None | - | 0 | Rat | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 341 | 4 | 2 | 5 | 3.4 | COc1ccc(cc1)CNC(=O)c1sc2c(c1N)c(C)cc(n2)C | 10.1016/j.bmcl.2012.10.073 | ||
| 864492 | 3994 | 58 | None | - | 0 | Rat | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 341 | 4 | 2 | 5 | 3.4 | COc1ccc(cc1)CNC(=O)c1sc2c(c1N)c(C)cc(n2)C | 10.1016/j.bmcl.2012.10.073 | ||
| CHEMBL1978713 | 3994 | 58 | None | - | 0 | Rat | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 341 | 4 | 2 | 5 | 3.4 | COc1ccc(cc1)CNC(=O)c1sc2c(c1N)c(C)cc(n2)C | 10.1016/j.bmcl.2012.10.073 | ||
| 156018661 | 177811 | 0 | None | - | 0 | Rat | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 387 | 4 | 2 | 8 | 1.2 | COc1cc(N2CC(NC(=O)c3ccc4nnn(C)c4c3N)C2)c(Cl)cn1 | 10.1016/j.bmcl.2019.126811 | ||
| CHEMBL4644004 | 177811 | 0 | None | - | 0 | Rat | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 387 | 4 | 2 | 8 | 1.2 | COc1cc(N2CC(NC(=O)c3ccc4nnn(C)c4c3N)C2)c(Cl)cn1 | 10.1016/j.bmcl.2019.126811 | ||
| 156022087 | 178172 | 0 | None | - | 0 | Rat | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 390 | 3 | 1 | 6 | 2.7 | Cc1nc2cnc(C(=O)NC3CN(c4cc(Cl)ncc4Cl)C3)cn2c1C | 10.1016/j.bmcl.2019.126812 | ||
| CHEMBL4649459 | 178172 | 0 | None | - | 0 | Rat | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 390 | 3 | 1 | 6 | 2.7 | Cc1nc2cnc(C(=O)NC3CN(c4cc(Cl)ncc4Cl)C3)cn2c1C | 10.1016/j.bmcl.2019.126812 | ||
| CHEMBL5267403 | 193504 | 0 | None | - | 0 | Human | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 343 | 4 | 2 | 7 | 2.2 | COc1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cn1 | 10.1021/acsmedchemlett.6b00461 | ||
| 72713423 | 102497 | 0 | None | - | 0 | Human | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 377 | 4 | 2 | 5 | 3.7 | COc1ccc(CNC(=O)c2sc3nc(C)cc(C)c3c2N)c(F)c1F | 10.1021/jm401032k | ||
| CHEMBL2435362 | 102497 | 0 | None | - | 0 | Human | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 377 | 4 | 2 | 5 | 3.7 | COc1ccc(CNC(=O)c2sc3nc(C)cc(C)c3c2N)c(F)c1F | 10.1021/jm401032k | ||
| CHEMBL3040500 | 102497 | 0 | None | - | 0 | Human | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 377 | 4 | 2 | 5 | 3.7 | COc1ccc(CNC(=O)c2sc3nc(C)cc(C)c3c2N)c(F)c1F | 10.1021/jm401032k | ||
| CHEMBL5267403 | 193504 | 0 | None | - | 0 | Human | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 343 | 4 | 2 | 7 | 2.2 | COc1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cn1 | 10.1021/acsmedchemlett.6b00461 | ||
| 10442081 | 102581 | 9 | None | - | 0 | Human | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 168 | 1 | 1 | 4 | 0.7 | COc1noc2c1CNCCC2 | 10.1021/jm00012a019 | ||
| CHEMBL304142 | 102581 | 9 | None | - | 0 | Human | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 168 | 1 | 1 | 4 | 0.7 | COc1noc2c1CNCCC2 | 10.1021/jm00012a019 | ||
| 72713423 | 102497 | 0 | None | - | 0 | Human | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 377 | 4 | 2 | 5 | 3.7 | COc1ccc(CNC(=O)c2sc3nc(C)cc(C)c3c2N)c(F)c1F | 10.1021/jm401032k | ||
| CHEMBL2435362 | 102497 | 0 | None | - | 0 | Human | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 377 | 4 | 2 | 5 | 3.7 | COc1ccc(CNC(=O)c2sc3nc(C)cc(C)c3c2N)c(F)c1F | 10.1021/jm401032k | ||
| CHEMBL3040500 | 102497 | 0 | None | - | 0 | Human | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 377 | 4 | 2 | 5 | 3.7 | COc1ccc(CNC(=O)c2sc3nc(C)cc(C)c3c2N)c(F)c1F | 10.1021/jm401032k | ||
| 45142486 | 52329 | 0 | None | - | 0 | Rat | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 440 | 6 | 2 | 6 | 4.4 | Cc1cc(OCc2ccncc2)nc2sc(C(=O)NCc3cccc(F)c3F)c(N)c12 | 10.1021/acs.jmedchem.8b00875 | ||
| CHEMBL1589763 | 52329 | 0 | None | - | 0 | Rat | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 440 | 6 | 2 | 6 | 4.4 | Cc1cc(OCc2ccncc2)nc2sc(C(=O)NCc3cccc(F)c3F)c(N)c12 | 10.1021/acs.jmedchem.8b00875 | ||
| 156016190 | 177675 | 0 | None | - | 0 | Rat | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 413 | 3 | 1 | 7 | 3.8 | Cc1c2c(ccc3c(NC4CN(c5cc(Cl)ncc5Cl)C4)ncnc32)nn1C | 10.1016/j.bmcl.2019.126811 | ||
| CHEMBL4642055 | 177675 | 0 | None | - | 0 | Rat | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 413 | 3 | 1 | 7 | 3.8 | Cc1c2c(ccc3c(NC4CN(c5cc(Cl)ncc5Cl)C4)ncnc32)nn1C | 10.1016/j.bmcl.2019.126811 | ||
| 45501061 | 156751 | 12 | None | - | 0 | Rat | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 388 | 4 | 1 | 4 | 3.8 | N#Cc1cnc2ccc(F)cc2c1N1CCC(C(=O)NCc2ccccc2)CC1 | 10.1016/j.bmcl.2017.08.043 | ||
| CHEMBL4070787 | 156751 | 12 | None | - | 0 | Rat | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 388 | 4 | 1 | 4 | 3.8 | N#Cc1cnc2ccc(F)cc2c1N1CCC(C(=O)NCc2ccccc2)CC1 | 10.1016/j.bmcl.2017.08.043 | ||
| 156010562 | 177022 | 0 | None | - | 0 | Rat | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 389 | 3 | 1 | 5 | 3.2 | Cc1c2cc(C(=O)NC3CN(c4cc(Cl)ncc4Cl)C3)ccc2nn1C | 10.1016/j.bmcl.2019.126811 | ||
| CHEMBL4632555 | 177022 | 0 | None | - | 0 | Rat | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 389 | 3 | 1 | 5 | 3.2 | Cc1c2cc(C(=O)NC3CN(c4cc(Cl)ncc4Cl)C3)ccc2nn1C | 10.1016/j.bmcl.2019.126811 | ||
| 89777239 | 163929 | 24 | None | - | 0 | Rat | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 360 | 4 | 2 | 6 | 3.0 | COc1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1F | 10.1021/acsmedchemlett.6b00461 | ||
| CHEMBL4207737 | 163929 | 24 | None | - | 0 | Rat | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 360 | 4 | 2 | 6 | 3.0 | COc1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1F | 10.1021/acsmedchemlett.6b00461 | ||
| CHEMBL5268842 | 163929 | 24 | None | - | 0 | Rat | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 360 | 4 | 2 | 6 | 3.0 | COc1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1F | 10.1021/acsmedchemlett.6b00461 | ||
| 89777239 | 163929 | 24 | None | - | 0 | Rat | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 360 | 4 | 2 | 6 | 3.0 | COc1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1F | 10.1021/acsmedchemlett.6b00461 | ||
| CHEMBL4207737 | 163929 | 24 | None | - | 0 | Rat | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 360 | 4 | 2 | 6 | 3.0 | COc1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1F | 10.1021/acsmedchemlett.6b00461 | ||
| CHEMBL5268842 | 163929 | 24 | None | - | 0 | Rat | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 360 | 4 | 2 | 6 | 3.0 | COc1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1F | 10.1021/acsmedchemlett.6b00461 | ||
| CHEMBL5287159 | 194596 | 0 | None | - | 0 | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 560 | 13 | 1 | 4 | 4.5 | CC(C)(CN1C(=O)c2cccc3cccc(c23)C1=O)C[N+](C)(C)CCCCCC[n+]1c[nH]c(CC2COC(=O)C2)c1 | 10.1021/acs.jnatprod.2c01079 | ||
| CHEMBL5315392 | 194596 | 0 | None | - | 0 | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 560 | 13 | 1 | 4 | 4.5 | CC(C)(CN1C(=O)c2cccc3cccc(c23)C1=O)C[N+](C)(C)CCCCCC[n+]1c[nH]c(CC2COC(=O)C2)c1 | 10.1021/acs.jnatprod.2c01079 | ||
| 10236758 | 115746 | 5 | None | -213 | 13 | Human | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 328 | 7 | 0 | 2 | 4.3 | CCCCC1CCN(CCCN2C(=O)CCc3ccccc32)CC1 | 10.1021/jm501173q | ||
| CHEMBL3354065 | 115746 | 5 | None | -213 | 13 | Human | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 328 | 7 | 0 | 2 | 4.3 | CCCCC1CCN(CCCN2C(=O)CCc3ccccc32)CC1 | 10.1021/jm501173q | ||
| 134263768 | 183117 | 7 | None | - | 0 | Rat | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 439 | 4 | 2 | 9 | 2.0 | COc1nnc2sc(C(=O)NC3CN(c4ncc(C(F)(F)F)cn4)C3)c(N)c2c1C | 10.1016/j.bmcl.2019.05.026 | ||
| CHEMBL4795177 | 183117 | 7 | None | - | 0 | Rat | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 439 | 4 | 2 | 9 | 2.0 | COc1nnc2sc(C(=O)NC3CN(c4ncc(C(F)(F)F)cn4)C3)c(N)c2c1C | 10.1016/j.bmcl.2019.05.026 | ||
| 90005322 | 171895 | 0 | None | - | 0 | Rat | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 429 | 4 | 2 | 6 | 3.4 | Cc1cncc2sc(C(=O)NCc3ccc(S(=O)(=O)C(F)(F)F)cc3)c(N)c12 | 10.1016/j.bmcl.2019.06.032 | ||
| CHEMBL4469998 | 171895 | 0 | None | - | 0 | Rat | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 429 | 4 | 2 | 6 | 3.4 | Cc1cncc2sc(C(=O)NCc3ccc(S(=O)(=O)C(F)(F)F)cc3)c(N)c12 | 10.1016/j.bmcl.2019.06.032 | ||
| 156014184 | 177173 | 0 | None | - | 0 | Rat | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 386 | 4 | 1 | 7 | 2.0 | COc1cc(N2CC(NC(=O)c3cn4c(C)c(C)nc4cn3)C2)c(Cl)cn1 | 10.1016/j.bmcl.2019.126812 | ||
| CHEMBL4635170 | 177173 | 0 | None | - | 0 | Rat | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 386 | 4 | 1 | 7 | 2.0 | COc1cc(N2CC(NC(=O)c3cn4c(C)c(C)nc4cn3)C2)c(Cl)cn1 | 10.1016/j.bmcl.2019.126812 | ||
| 10261985 | 203926 | 0 | None | - | 0 | Human | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 192 | 2 | 1 | 4 | 0.7 | C#CCOc1noc2c1CNCCC2 | 10.1021/jm00012a019 | ||
| CHEMBL69306 | 203926 | 0 | None | - | 0 | Human | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 192 | 2 | 1 | 4 | 0.7 | C#CCOc1noc2c1CNCCC2 | 10.1021/jm00012a019 | ||
| 118719921 | 115748 | 0 | None | -1 | 5 | Human | 7.5 | pEC50 | = | 7.5 | 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 | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 537 | 12 | 0 | 7 | 5.3 | CN1CCC=C(c2nsnc2OCCCCCC2CCN(CCCN3C(=O)CCc4ccccc43)CC2)C1 | 10.1021/jm501173q | ||
| 72713214 | 102494 | 0 | None | - | 0 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 329 | 3 | 2 | 4 | 3.6 | Cc1cc(C)c2c(N)c(C(=O)NCc3cccc(F)c3)sc2n1 | 10.1021/jm401032k | ||
| CHEMBL2435355 | 102494 | 0 | None | - | 0 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 329 | 3 | 2 | 4 | 3.6 | Cc1cc(C)c2c(N)c(C(=O)NCc3cccc(F)c3)sc2n1 | 10.1021/jm401032k | ||
| CHEMBL3040488 | 102494 | 0 | None | - | 0 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 329 | 3 | 2 | 4 | 3.6 | Cc1cc(C)c2c(N)c(C(=O)NCc3cccc(F)c3)sc2n1 | 10.1021/jm401032k | ||
| 72713214 | 102494 | 0 | None | - | 0 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 329 | 3 | 2 | 4 | 3.6 | Cc1cc(C)c2c(N)c(C(=O)NCc3cccc(F)c3)sc2n1 | 10.1021/jm401032k | ||
| CHEMBL2435355 | 102494 | 0 | None | - | 0 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 329 | 3 | 2 | 4 | 3.6 | Cc1cc(C)c2c(N)c(C(=O)NCc3cccc(F)c3)sc2n1 | 10.1021/jm401032k | ||
| CHEMBL3040488 | 102494 | 0 | None | - | 0 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 329 | 3 | 2 | 4 | 3.6 | Cc1cc(C)c2c(N)c(C(=O)NCc3cccc(F)c3)sc2n1 | 10.1021/jm401032k | ||
| 156012754 | 177287 | 0 | None | - | 0 | Rat | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 400 | 5 | 2 | 6 | 3.7 | Cc1c2c(ccc3c(NCc4ccc(C(=O)NC5CCC5)cc4)ncnc32)nn1C | 10.1016/j.bmcl.2019.126811 | ||
| CHEMBL4636845 | 177287 | 0 | None | - | 0 | Rat | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 400 | 5 | 2 | 6 | 3.7 | Cc1c2c(ccc3c(NCc4ccc(C(=O)NC5CCC5)cc4)ncnc32)nn1C | 10.1016/j.bmcl.2019.126811 | ||
| 302 | 2956 | 25 | None | -7 | 8 | Human | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | 10.1021/jm00012a019 | ||
| 4630 | 2956 | 25 | None | -7 | 8 | Human | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | 10.1021/jm00012a019 | ||
| CHEMBL7634 | 2956 | 25 | None | -7 | 8 | Human | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | 10.1021/jm00012a019 | ||
| 156014638 | 177201 | 0 | None | - | 0 | Rat | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 390 | 3 | 1 | 6 | 2.6 | Cc1c2cc(C(=O)NC3CN(c4cc(Cl)ncc4Cl)C3)ncc2nn1C | 10.1016/j.bmcl.2019.126812 | ||
| CHEMBL4635575 | 177201 | 0 | None | - | 0 | Rat | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 390 | 3 | 1 | 6 | 2.6 | Cc1c2cc(C(=O)NC3CN(c4cc(Cl)ncc4Cl)C3)ncc2nn1C | 10.1016/j.bmcl.2019.126812 | ||
| 2166 | 3101 | 49 | None | -17 | 8 | Human | 5.5 | pEC50 | = | 5.5 | 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 | -17 | 8 | Human | 5.5 | pEC50 | = | 5.5 | 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 | -17 | 8 | Human | 5.5 | pEC50 | = | 5.5 | 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 | -17 | 8 | Human | 5.5 | pEC50 | = | 5.5 | 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 | -17 | 8 | Human | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 10.1021/acs.jnatprod.2c01079 | ||
| 156012624 | 177395 | 0 | None | - | 0 | Rat | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 386 | 4 | 1 | 7 | 2.0 | COc1cc(N2CC(NC(=O)c3cc4c(C)n(C)nc4cn3)C2)c(Cl)cn1 | 10.1016/j.bmcl.2019.126812 | ||
| CHEMBL4638506 | 177395 | 0 | None | - | 0 | Rat | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 386 | 4 | 1 | 7 | 2.0 | COc1cc(N2CC(NC(=O)c3cc4c(C)n(C)nc4cn3)C2)c(Cl)cn1 | 10.1016/j.bmcl.2019.126812 | ||
| 72713422 | 102502 | 0 | None | - | 0 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 359 | 4 | 2 | 5 | 3.6 | COc1ccc(CNC(=O)c2sc3nc(C)cc(C)c3c2N)c(F)c1 | 10.1021/jm401032k | ||
| CHEMBL2434973 | 102502 | 0 | None | - | 0 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 359 | 4 | 2 | 5 | 3.6 | COc1ccc(CNC(=O)c2sc3nc(C)cc(C)c3c2N)c(F)c1 | 10.1021/jm401032k | ||
| CHEMBL3040554 | 102502 | 0 | None | - | 0 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 359 | 4 | 2 | 5 | 3.6 | COc1ccc(CNC(=O)c2sc3nc(C)cc(C)c3c2N)c(F)c1 | 10.1021/jm401032k | ||
| 118719922 | 115749 | 0 | None | -1 | 5 | Human | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 565 | 14 | 0 | 7 | 6.1 | CN1CCC=C(c2nsnc2OCCCCCCCC2CCN(CCCN3C(=O)CCc4ccccc43)CC2)C1 | 10.1021/jm501173q | ||
| CHEMBL3354068 | 115749 | 0 | None | -1 | 5 | Human | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 565 | 14 | 0 | 7 | 6.1 | CN1CCC=C(c2nsnc2OCCCCCCCC2CCN(CCCN3C(=O)CCc4ccccc43)CC2)C1 | 10.1021/jm501173q | ||
| 72713422 | 102502 | 0 | None | - | 0 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 359 | 4 | 2 | 5 | 3.6 | COc1ccc(CNC(=O)c2sc3nc(C)cc(C)c3c2N)c(F)c1 | 10.1021/jm401032k | ||
| CHEMBL2434973 | 102502 | 0 | None | - | 0 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 359 | 4 | 2 | 5 | 3.6 | COc1ccc(CNC(=O)c2sc3nc(C)cc(C)c3c2N)c(F)c1 | 10.1021/jm401032k | ||
| CHEMBL3040554 | 102502 | 0 | None | - | 0 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 359 | 4 | 2 | 5 | 3.6 | COc1ccc(CNC(=O)c2sc3nc(C)cc(C)c3c2N)c(F)c1 | 10.1021/jm401032k | ||
| CHEMBL5270076 | 194583 | 0 | None | - | 0 | Human | 4.4 | pEC50 | = | 4.4 | Binding | ChEMBL | 574 | 13 | 0 | 5 | 4.5 | Cn1c[n+](CCCCCC[N+](C)(C)CC(C)(C)CN2C(=O)c3cccc4cccc(c34)C2=O)cc1CC1COC(=O)C1 | 10.1021/acs.jnatprod.2c01079 | ||
| CHEMBL5315256 | 194583 | 0 | None | - | 0 | Human | 4.4 | pEC50 | = | 4.4 | Binding | ChEMBL | 574 | 13 | 0 | 5 | 4.5 | Cn1c[n+](CCCCCC[N+](C)(C)CC(C)(C)CN2C(=O)c3cccc4cccc(c34)C2=O)cc1CC1COC(=O)C1 | 10.1021/acs.jnatprod.2c01079 | ||
| 156011257 | 177304 | 0 | None | - | 0 | Rat | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 443 | 3 | 1 | 5 | 3.9 | Cn1c(C(F)(F)F)nc2ccc(C(=O)NC3CN(c4cc(Cl)ncc4Cl)C3)cc21 | 10.1016/j.bmcl.2019.126812 | ||
| CHEMBL4637175 | 177304 | 0 | None | - | 0 | Rat | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 443 | 3 | 1 | 5 | 3.9 | Cn1c(C(F)(F)F)nc2ccc(C(=O)NC3CN(c4cc(Cl)ncc4Cl)C3)cc21 | 10.1016/j.bmcl.2019.126812 | ||
| 1541501 | 3993 | 29 | None | - | 0 | Rat | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 355 | 3 | 2 | 6 | 3.2 | Cc1cc(C)c2c(n1)sc(c2N)C(=O)NCc1ccc2c(c1)OCO2 | 10.1021/acs.jmedchem.8b00875 | ||
| 3256 | 3993 | 29 | None | - | 0 | Rat | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 355 | 3 | 2 | 6 | 3.2 | Cc1cc(C)c2c(n1)sc(c2N)C(=O)NCc1ccc2c(c1)OCO2 | 10.1021/acs.jmedchem.8b00875 | ||
| CHEMBL4461667 | 3993 | 29 | None | - | 0 | Rat | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 355 | 3 | 2 | 6 | 3.2 | Cc1cc(C)c2c(n1)sc(c2N)C(=O)NCc1ccc2c(c1)OCO2 | 10.1021/acs.jmedchem.8b00875 | ||
| CHEMBL5276239 | 193867 | 0 | None | - | 0 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 378 | 4 | 2 | 6 | 3.1 | COc1cc(F)c(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1F | 10.1021/acsmedchemlett.6b00461 | ||
| CHEMBL5276239 | 193867 | 0 | None | - | 0 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 378 | 4 | 2 | 6 | 3.1 | COc1cc(F)c(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1F | 10.1021/acsmedchemlett.6b00461 | ||
| 156011081 | 177045 | 0 | None | - | 0 | Rat | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 404 | 3 | 2 | 6 | 2.8 | Cc1c2c(N)c(C(=O)NC3CN(c4cc(Cl)ncc4Cl)C3)ccc2nn1C | 10.1016/j.bmcl.2019.126811 | ||
| CHEMBL4632962 | 177045 | 0 | None | - | 0 | Rat | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 404 | 3 | 2 | 6 | 2.8 | Cc1c2c(N)c(C(=O)NC3CN(c4cc(Cl)ncc4Cl)C3)ccc2nn1C | 10.1016/j.bmcl.2019.126811 | ||
| CHEMBL5269998 | 193590 | 0 | None | - | 0 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 378 | 4 | 2 | 6 | 3.1 | COc1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)c(F)c1F | 10.1021/acsmedchemlett.6b00461 | ||
| CHEMBL5269998 | 193590 | 0 | None | - | 0 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 378 | 4 | 2 | 6 | 3.1 | COc1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)c(F)c1F | 10.1021/acsmedchemlett.6b00461 | ||
| 156014224 | 177233 | 0 | None | - | 0 | Rat | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 389 | 3 | 1 | 5 | 3.3 | Cc1nc2ccc(C(=O)NC3CN(c4cc(Cl)ncc4Cl)C3)cn2c1C | 10.1016/j.bmcl.2019.126812 | ||
| CHEMBL4636061 | 177233 | 0 | None | - | 0 | Rat | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 389 | 3 | 1 | 5 | 3.3 | Cc1nc2ccc(C(=O)NC3CN(c4cc(Cl)ncc4Cl)C3)cn2c1C | 10.1016/j.bmcl.2019.126812 | ||
| 137647620 | 157574 | 0 | None | - | 0 | Rat | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 362 | 3 | 0 | 5 | 4.0 | Cc1ccc(OC2CCN(c3c(C#N)cnc4ccc(F)cc34)CC2)cn1 | 10.1016/j.bmcl.2017.08.043 | ||
| CHEMBL4080878 | 157574 | 0 | None | - | 0 | Rat | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 362 | 3 | 0 | 5 | 4.0 | Cc1ccc(OC2CCN(c3c(C#N)cnc4ccc(F)cc34)CC2)cn1 | 10.1016/j.bmcl.2017.08.043 | ||
| 2551 | 791 | 23 | None | -21 | 11 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.8b00265 | ||
| 298 | 791 | 23 | None | -21 | 11 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.8b00265 | ||
| 488 | 791 | 23 | None | -21 | 11 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.8b00265 | ||
| CHEMBL965 | 791 | 23 | None | -21 | 11 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.8b00265 | ||
| DB00411 | 791 | 23 | None | -21 | 11 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.8b00265 | ||
| CHEMBL5265850 | 193434 | 0 | None | - | 0 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 374 | 4 | 2 | 6 | 3.5 | COc1ccc([C@H](C)NC(=O)c2sc3nnc(C)c(C)c3c2N)cc1F | 10.1021/acsmedchemlett.6b00461 | ||
| CHEMBL5265850 | 193434 | 0 | None | - | 0 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 374 | 4 | 2 | 6 | 3.5 | COc1ccc([C@H](C)NC(=O)c2sc3nnc(C)c(C)c3c2N)cc1F | 10.1021/acsmedchemlett.6b00461 | ||
| 3263 | 3994 | 58 | None | - | 0 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 341 | 4 | 2 | 5 | 3.4 | COc1ccc(cc1)CNC(=O)c1sc2c(c1N)c(C)cc(n2)C | 10.1016/j.bmcl.2016.11.086 | ||
| 864492 | 3994 | 58 | None | - | 0 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 341 | 4 | 2 | 5 | 3.4 | COc1ccc(cc1)CNC(=O)c1sc2c(c1N)c(C)cc(n2)C | 10.1016/j.bmcl.2016.11.086 | ||
| CHEMBL1978713 | 3994 | 58 | None | - | 0 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 341 | 4 | 2 | 5 | 3.4 | COc1ccc(cc1)CNC(=O)c1sc2c(c1N)c(C)cc(n2)C | 10.1016/j.bmcl.2016.11.086 | ||
| CHEMBL5285668 | 194607 | 0 | None | - | 0 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 602 | 14 | 0 | 5 | 5.2 | CC[C@H]1C(=O)OC[C@@H]1Cc1c[n+](CCCCCC[N+](C)(C)CC(C)(C)CN2C(=O)c3cccc4cccc(c34)C2=O)cn1C | 10.1021/acs.jnatprod.2c01079 | ||
| CHEMBL5315497 | 194607 | 0 | None | - | 0 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 602 | 14 | 0 | 5 | 5.2 | CC[C@H]1C(=O)OC[C@@H]1Cc1c[n+](CCCCCC[N+](C)(C)CC(C)(C)CN2C(=O)c3cccc4cccc(c34)C2=O)cn1C | 10.1021/acs.jnatprod.2c01079 | ||
| 89777239 | 163929 | 24 | None | - | 0 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 360 | 4 | 2 | 6 | 3.0 | COc1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1F | 10.1021/acsmedchemlett.6b00461 | ||
| CHEMBL4207737 | 163929 | 24 | None | - | 0 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 360 | 4 | 2 | 6 | 3.0 | COc1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1F | 10.1021/acsmedchemlett.6b00461 | ||
| CHEMBL5268842 | 163929 | 24 | None | - | 0 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 360 | 4 | 2 | 6 | 3.0 | COc1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1F | 10.1021/acsmedchemlett.6b00461 | ||
| 89777239 | 163929 | 24 | None | - | 0 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 360 | 4 | 2 | 6 | 3.0 | COc1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1F | 10.1021/acsmedchemlett.6b00461 | ||
| CHEMBL4207737 | 163929 | 24 | None | - | 0 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 360 | 4 | 2 | 6 | 3.0 | COc1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1F | 10.1021/acsmedchemlett.6b00461 | ||
| CHEMBL5268842 | 163929 | 24 | None | - | 0 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 360 | 4 | 2 | 6 | 3.0 | COc1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1F | 10.1021/acsmedchemlett.6b00461 | ||
| 72713209 | 102507 | 0 | None | - | 0 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 341 | 4 | 2 | 5 | 3.4 | COc1cccc(CNC(=O)c2sc3nc(C)cc(C)c3c2N)c1 | 10.1021/jm401032k | ||
| CHEMBL2435349 | 102507 | 0 | None | - | 0 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 341 | 4 | 2 | 5 | 3.4 | COc1cccc(CNC(=O)c2sc3nc(C)cc(C)c3c2N)c1 | 10.1021/jm401032k | ||
| CHEMBL3040603 | 102507 | 0 | None | - | 0 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 341 | 4 | 2 | 5 | 3.4 | COc1cccc(CNC(=O)c2sc3nc(C)cc(C)c3c2N)c1 | 10.1021/jm401032k | ||
| 72713209 | 102507 | 0 | None | - | 0 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 341 | 4 | 2 | 5 | 3.4 | COc1cccc(CNC(=O)c2sc3nc(C)cc(C)c3c2N)c1 | 10.1021/jm401032k | ||
| CHEMBL2435349 | 102507 | 0 | None | - | 0 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 341 | 4 | 2 | 5 | 3.4 | COc1cccc(CNC(=O)c2sc3nc(C)cc(C)c3c2N)c1 | 10.1021/jm401032k | ||
| CHEMBL3040603 | 102507 | 0 | None | - | 0 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 341 | 4 | 2 | 5 | 3.4 | COc1cccc(CNC(=O)c2sc3nc(C)cc(C)c3c2N)c1 | 10.1021/jm401032k | ||
| 72713419 | 102501 | 0 | None | - | 0 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 365 | 3 | 2 | 4 | 3.8 | Cc1cc(C)c2c(N)c(C(=O)NCc3cc(F)c(F)cc3F)sc2n1 | 10.1021/jm401032k | ||
| CHEMBL2435359 | 102501 | 0 | None | - | 0 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 365 | 3 | 2 | 4 | 3.8 | Cc1cc(C)c2c(N)c(C(=O)NCc3cc(F)c(F)cc3F)sc2n1 | 10.1021/jm401032k | ||
| CHEMBL3040531 | 102501 | 0 | None | - | 0 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 365 | 3 | 2 | 4 | 3.8 | Cc1cc(C)c2c(N)c(C(=O)NCc3cc(F)c(F)cc3F)sc2n1 | 10.1021/jm401032k | ||
| 72713419 | 102501 | 0 | None | - | 0 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 365 | 3 | 2 | 4 | 3.8 | Cc1cc(C)c2c(N)c(C(=O)NCc3cc(F)c(F)cc3F)sc2n1 | 10.1021/jm401032k | ||
| CHEMBL2435359 | 102501 | 0 | None | - | 0 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 365 | 3 | 2 | 4 | 3.8 | Cc1cc(C)c2c(N)c(C(=O)NCc3cc(F)c(F)cc3F)sc2n1 | 10.1021/jm401032k | ||
| CHEMBL3040531 | 102501 | 0 | None | - | 0 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 365 | 3 | 2 | 4 | 3.8 | Cc1cc(C)c2c(N)c(C(=O)NCc3cc(F)c(F)cc3F)sc2n1 | 10.1021/jm401032k | ||
| 14925759 | 158014 | 6 | None | -3235 | 13 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 349 | 5 | 0 | 3 | 3.2 | O=C1CCc2ccccc2N1CCCN1CCN(c2ccccc2)CC1 | 10.1021/acs.jmedchem.8b00265 | ||
| CHEMBL4085780 | 158014 | 6 | None | -3235 | 13 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 349 | 5 | 0 | 3 | 3.2 | O=C1CCc2ccccc2N1CCCN1CCN(c2ccccc2)CC1 | 10.1021/acs.jmedchem.8b00265 | ||
| CHEMBL5282936 | 194153 | 0 | None | - | 0 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 346 | 3 | 3 | 6 | 2.7 | Cc1nnc2sc(C(=O)NCc3ccc(O)c(F)c3)c(N)c2c1C | 10.1021/acsmedchemlett.6b00461 | ||
| CHEMBL5282936 | 194153 | 0 | None | - | 0 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 346 | 3 | 3 | 6 | 2.7 | Cc1nnc2sc(C(=O)NCc3ccc(O)c(F)c3)c(N)c2c1C | 10.1021/acsmedchemlett.6b00461 | ||
| 3652 | 4066 | 79 | None | -3 | 18 | Human | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm501173q | ||
| 57 | 4066 | 79 | None | -3 | 18 | Human | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm501173q | ||
| 60809 | 4066 | 79 | None | -3 | 18 | Human | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm501173q | ||
| CHEMBL21536 | 4066 | 79 | None | -3 | 18 | Human | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm501173q | ||
| DB15357 | 4066 | 79 | None | -3 | 18 | Human | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm501173q | ||
| 2551 | 791 | 23 | None | -21 | 11 | Human | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm501173q | ||
| 298 | 791 | 23 | None | -21 | 11 | Human | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm501173q | ||
| 488 | 791 | 23 | None | -21 | 11 | Human | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm501173q | ||
| CHEMBL965 | 791 | 23 | None | -21 | 11 | Human | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm501173q | ||
| DB00411 | 791 | 23 | None | -21 | 11 | Human | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm501173q | ||
| 101882890 | 115750 | 0 | None | -1 | 5 | Human | 4.2 | pEC50 | = | 4.2 | Binding | ChEMBL | 593 | 16 | 0 | 7 | 6.8 | CN1CCC=C(c2nsnc2OCCCCCCCCCC2CCN(CCCN3C(=O)CCc4ccccc43)CC2)C1 | 10.1021/jm501173q | ||
| CHEMBL3354069 | 115750 | 0 | None | -1 | 5 | Human | 4.2 | pEC50 | = | 4.2 | Binding | ChEMBL | 593 | 16 | 0 | 7 | 6.8 | CN1CCC=C(c2nsnc2OCCCCCCCCCC2CCN(CCCN3C(=O)CCc4ccccc43)CC2)C1 | 10.1021/jm501173q | ||
| 10442337 | 203925 | 2 | None | - | 0 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 182 | 2 | 1 | 4 | 1.1 | CCOc1noc2c1CNCCC2 | 10.1021/jm00012a019 | ||
| CHEMBL69305 | 203925 | 2 | None | - | 0 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 182 | 2 | 1 | 4 | 1.1 | CCOc1noc2c1CNCCC2 | 10.1021/jm00012a019 | ||
| 118719921 | 115748 | 0 | None | -1 | 5 | Human | 5.2 | pEC50 | = | 5.2 | 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 | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 537 | 12 | 0 | 7 | 5.3 | CN1CCC=C(c2nsnc2OCCCCCC2CCN(CCCN3C(=O)CCc4ccccc43)CC2)C1 | 10.1021/jm501173q | ||
| 156011921 | 177375 | 0 | None | - | 0 | Rat | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 388 | 3 | 2 | 6 | 2.3 | Cc1c2c(N)c(C(=O)NC3CN(c4ncc(Cl)cc4F)C3)ccc2nn1C | 10.1016/j.bmcl.2019.126811 | ||
| CHEMBL4638291 | 177375 | 0 | None | - | 0 | Rat | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 388 | 3 | 2 | 6 | 2.3 | Cc1c2c(N)c(C(=O)NC3CN(c4ncc(Cl)cc4F)C3)ccc2nn1C | 10.1016/j.bmcl.2019.126811 | ||
| 156010821 | 177040 | 0 | None | - | 0 | Rat | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 376 | 3 | 1 | 6 | 2.3 | Cn1nnc2ccc(C(=O)NC3CN(c4cc(Cl)ncc4Cl)C3)cc21 | 10.1016/j.bmcl.2019.126811 | ||
| CHEMBL4632855 | 177040 | 0 | None | - | 0 | Rat | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 376 | 3 | 1 | 6 | 2.3 | Cn1nnc2ccc(C(=O)NC3CN(c4cc(Cl)ncc4Cl)C3)cc21 | 10.1016/j.bmcl.2019.126811 | ||
| CHEMBL5272950 | 193716 | 0 | None | - | 0 | Human | 5.1 | pEC50 | = | 5.1 | Binding | ChEMBL | 166 | 2 | 1 | 3 | 0.5 | O=C1C[C@@H](Cc2cnc[nH]2)CO1 | 10.1021/acs.jnatprod.2c01079 | ||
| 2551 | 791 | 23 | None | -21 | 11 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm00012a019 | ||
| 298 | 791 | 23 | None | -21 | 11 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm00012a019 | ||
| 488 | 791 | 23 | None | -21 | 11 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm00012a019 | ||
| CHEMBL965 | 791 | 23 | None | -21 | 11 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm00012a019 | ||
| DB00411 | 791 | 23 | None | -21 | 11 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm00012a019 | ||
| 89777239 | 163929 | 24 | None | - | 0 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 360 | 4 | 2 | 6 | 3.0 | COc1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1F | 10.1021/acsmedchemlett.6b00461 | ||
| CHEMBL4207737 | 163929 | 24 | None | - | 0 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 360 | 4 | 2 | 6 | 3.0 | COc1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1F | 10.1021/acsmedchemlett.6b00461 | ||
| CHEMBL5268842 | 163929 | 24 | None | - | 0 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 360 | 4 | 2 | 6 | 3.0 | COc1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1F | 10.1021/acsmedchemlett.6b00461 | ||
| 89777239 | 163929 | 24 | None | - | 0 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 360 | 4 | 2 | 6 | 3.0 | COc1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1F | 10.1021/acsmedchemlett.6b00461 | ||
| CHEMBL4207737 | 163929 | 24 | None | - | 0 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 360 | 4 | 2 | 6 | 3.0 | COc1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1F | 10.1021/acsmedchemlett.6b00461 | ||
| CHEMBL5268842 | 163929 | 24 | None | - | 0 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 360 | 4 | 2 | 6 | 3.0 | COc1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1F | 10.1021/acsmedchemlett.6b00461 | ||
| 156013272 | 177459 | 0 | None | - | 0 | Rat | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 400 | 4 | 2 | 7 | 2.1 | COc1cc(N2CC(NC(=O)c3ccc4nn(C)c(C)c4c3N)C2)c(Cl)cn1 | 10.1016/j.bmcl.2019.126811 | ||
| CHEMBL4639222 | 177459 | 0 | None | - | 0 | Rat | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 400 | 4 | 2 | 7 | 2.1 | COc1cc(N2CC(NC(=O)c3ccc4nn(C)c(C)c4c3N)C2)c(Cl)cn1 | 10.1016/j.bmcl.2019.126811 | ||
| CHEMBL5285036 | 194253 | 0 | None | - | 0 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 378 | 4 | 2 | 6 | 3.1 | COc1c(F)cc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1F | 10.1021/acsmedchemlett.6b00461 | ||
| CHEMBL5285036 | 194253 | 0 | None | - | 0 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 378 | 4 | 2 | 6 | 3.1 | COc1c(F)cc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1F | 10.1021/acsmedchemlett.6b00461 | ||
| CHEMBL5272517 | 193704 | 0 | None | - | 0 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 360 | 4 | 2 | 6 | 3.0 | COc1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)c(F)c1 | 10.1021/acsmedchemlett.6b00461 | ||
| 45142486 | 52329 | 0 | None | - | 0 | Rat | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 440 | 6 | 2 | 6 | 4.4 | Cc1cc(OCc2ccncc2)nc2sc(C(=O)NCc3cccc(F)c3F)c(N)c12 | 10.1016/j.bmcl.2012.10.073 | ||
| CHEMBL1589763 | 52329 | 0 | None | - | 0 | Rat | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 440 | 6 | 2 | 6 | 4.4 | Cc1cc(OCc2ccncc2)nc2sc(C(=O)NCc3cccc(F)c3F)c(N)c12 | 10.1016/j.bmcl.2012.10.073 | ||
| CHEMBL5272517 | 193704 | 0 | None | - | 0 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 360 | 4 | 2 | 6 | 3.0 | COc1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)c(F)c1 | 10.1021/acsmedchemlett.6b00461 | ||
| 45142486 | 52329 | 0 | None | - | 0 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 440 | 6 | 2 | 6 | 4.4 | Cc1cc(OCc2ccncc2)nc2sc(C(=O)NCc3cccc(F)c3F)c(N)c12 | 10.1021/acs.jmedchem.8b00875 | ||
| CHEMBL1589763 | 52329 | 0 | None | - | 0 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 440 | 6 | 2 | 6 | 4.4 | Cc1cc(OCc2ccncc2)nc2sc(C(=O)NCc3cccc(F)c3F)c(N)c12 | 10.1021/acs.jmedchem.8b00875 | ||
| CHEMBL5274545 | 194625 | 0 | None | - | 0 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 630 | 16 | 0 | 5 | 5.9 | CC[C@@H]1C(=O)OC[C@@H]1Cc1c[n+](CCCCCCCC[N+](C)(C)CC(C)(C)CN2C(=O)c3cccc4cccc(c34)C2=O)cn1C | 10.1021/acs.jnatprod.2c01079 | ||
| CHEMBL5315812 | 194625 | 0 | None | - | 0 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 630 | 16 | 0 | 5 | 5.9 | CC[C@@H]1C(=O)OC[C@@H]1Cc1c[n+](CCCCCCCC[N+](C)(C)CC(C)(C)CN2C(=O)c3cccc4cccc(c34)C2=O)cn1C | 10.1021/acs.jnatprod.2c01079 | ||
| CHEMBL5265891 | 193438 | 0 | None | - | 0 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 328 | 3 | 3 | 6 | 2.5 | Cc1nnc2sc(C(=O)NCc3ccc(O)cc3)c(N)c2c1C | 10.1021/acsmedchemlett.6b00461 | ||
| CHEMBL5265891 | 193438 | 0 | None | - | 0 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 328 | 3 | 3 | 6 | 2.5 | Cc1nnc2sc(C(=O)NCc3ccc(O)cc3)c(N)c2c1C | 10.1021/acsmedchemlett.6b00461 | ||
| 367 | 3795 | 12 | None | -10 | 8 | Human | 10.4 | pIC50 | = | 10.4 | 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 | -10 | 8 | Human | 10.4 | pIC50 | = | 10.4 | 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 | -10 | 8 | Human | 10.4 | pIC50 | = | 10.4 | 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 | -10 | 8 | Human | 10.4 | pIC50 | = | 10.4 | 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 | -10 | 8 | Human | 10.4 | pIC50 | = | 10.4 | 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 | -10 | 8 | Human | 10.4 | pIC50 | = | 10.4 | 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 | -10 | 8 | Human | 10.4 | pIC50 | = | 10.4 | 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 | ||
| 11693 | 1814 | 16 | None | 1 | 5 | Human | 9.8 | pIC50 | = | 9.8 | 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 | 9.8 | pIC50 | = | 9.8 | 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 | 9.8 | pIC50 | = | 9.8 | 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 | 9.8 | pIC50 | = | 9.8 | 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 | 9.8 | pIC50 | = | 9.8 | 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 | 9.8 | pIC50 | = | 9.8 | 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 | ||
| 11434515 | 261 | 6 | None | 1 | 5 | Human | 9.7 | pIC50 | = | 9.7 | 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 | 9.7 | pIC50 | = | 9.7 | 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 | 9.7 | pIC50 | = | 9.7 | 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 | 9.7 | pIC50 | = | 9.7 | 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 | 9.7 | pIC50 | = | 9.7 | 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 | 9.7 | pIC50 | = | 9.7 | 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 | ||
| 2551 | 791 | 23 | None | -21 | 11 | Human | 9.4 | pIC50 | = | 9.4 | 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 | -21 | 11 | Human | 9.4 | pIC50 | = | 9.4 | 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 | -21 | 11 | Human | 9.4 | pIC50 | = | 9.4 | 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 | -21 | 11 | Human | 9.4 | pIC50 | = | 9.4 | 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 | -21 | 11 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/s0960-894x(98)00351-5 | ||
| 156493833 | 184883 | 2 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 432 | 5 | 1 | 7 | 3.6 | Cn1cc2cc(-c3ccc(N[C@H]4C[C@@H]5CN(CC6CCOCC6)C[C@@H]5C4)nn3)ccc2n1 | 10.1021/acsmedchemlett.1c00363 | ||
| CHEMBL4853244 | 184883 | 2 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 432 | 5 | 1 | 7 | 3.6 | Cn1cc2cc(-c3ccc(N[C@H]4C[C@@H]5CN(CC6CCOCC6)C[C@@H]5C4)nn3)ccc2n1 | 10.1021/acsmedchemlett.1c00363 | ||
| 1734 | 116 | 10 | None | -1 | 13 | Human | 9.3 | pIC50 | = | 9.3 | 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 | 9.3 | pIC50 | = | 9.3 | 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 | 9.3 | pIC50 | = | 9.3 | 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 | 9.3 | pIC50 | = | 9.3 | 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 | 9.3 | pIC50 | = | 9.3 | 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 | 9.3 | pIC50 | = | 9.3 | 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 | ||
| 11968014 | 12726 | 5 | None | -12 | 9 | Human | 9.2 | pIC50 | = | 9.2 | 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/acs.jmedchem.8b00265 | ||
| CHEMBL1187846 | 12726 | 5 | None | -12 | 9 | Human | 9.2 | pIC50 | = | 9.2 | 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/acs.jmedchem.8b00265 | ||
| 1734 | 116 | 10 | None | -1 | 13 | Human | 9.2 | pIC50 | = | 9.2 | 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 | 9.2 | pIC50 | = | 9.2 | 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 | 9.2 | pIC50 | = | 9.2 | 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 | 1 | 5 | Human | 9.2 | pIC50 | = | 9.2 | 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 | 1 | 5 | Human | 9.2 | pIC50 | = | 9.2 | 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 | 1 | 5 | Human | 9.2 | pIC50 | = | 9.2 | 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 | ||
| 174174 | 521 | 49 | None | -2 | 14 | Human | 9.1 | pIC50 | = | 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 | nan | ||
| 260 | 521 | 49 | None | -2 | 14 | Human | 9.1 | pIC50 | = | 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 | nan | ||
| 320 | 521 | 49 | None | -2 | 14 | Human | 9.1 | pIC50 | = | 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 | nan | ||
| CHEMBL517712 | 521 | 49 | None | -2 | 14 | Human | 9.1 | pIC50 | = | 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 | nan | ||
| DB00572 | 521 | 49 | None | -2 | 14 | Human | 9.1 | pIC50 | = | 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 | nan | ||
| 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 | 9.0 | pIC50 | = | 9.0 | 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 | 9.0 | pIC50 | = | 9.0 | 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 | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | 10.1021/jm8007618 | ||
| 2200 | 3109 | 46 | None | -2 | 13 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm501173q | ||
| 328 | 3109 | 46 | None | -2 | 13 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm501173q | ||
| 4848 | 3109 | 46 | None | -2 | 13 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm501173q | ||
| CHEMBL9967 | 3109 | 46 | None | -2 | 13 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm501173q | ||
| DB00670 | 3109 | 46 | None | -2 | 13 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm501173q | ||
| 11968014 | 12726 | 5 | None | -12 | 9 | Human | 8.9 | pIC50 | = | 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/jm501173q | ||
| CHEMBL1187846 | 12726 | 5 | None | -12 | 9 | Human | 8.9 | pIC50 | = | 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/jm501173q | ||
| 1734 | 116 | 10 | None | -1 | 13 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | 10.1021/jm058018d | ||
| 307 | 116 | 10 | None | -1 | 13 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | 10.1021/jm058018d | ||
| CHEMBL168067 | 116 | 10 | None | -1 | 13 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | 10.1021/jm058018d | ||
| 2028 | 2958 | 80 | None | -1 | 11 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | nan | ||
| 359 | 2958 | 80 | None | -1 | 11 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | nan | ||
| 4634 | 2958 | 80 | None | -1 | 11 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | nan | ||
| CHEMBL1231 | 2958 | 80 | None | -1 | 11 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | nan | ||
| DB01062 | 2958 | 80 | None | -1 | 11 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | nan | ||
| 44575653 | 181620 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 327 | 14 | 7 | 4 | 0.4 | N=C(N)NCCCCCCCCC(=O)C(N)CCCNC(=N)N | 10.1021/np50120a004 | ||
| CHEMBL477542 | 181620 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 327 | 14 | 7 | 4 | 0.4 | N=C(N)NCCCCCCCCC(=O)C(N)CCCNC(=N)N | 10.1021/np50120a004 | ||
| 49671356 | 157401 | 10 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 435 | 4 | 0 | 6 | 3.0 | CC1CCCCN1c1ccc(N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)nn1 | 10.1016/j.bmcl.2017.05.042 | ||
| CHEMBL4078704 | 157401 | 10 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 435 | 4 | 0 | 6 | 3.0 | CC1CCCCN1c1ccc(N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)nn1 | 10.1016/j.bmcl.2017.05.042 | ||
| 2551 | 791 | 23 | None | -21 | 11 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0301235 | ||
| 298 | 791 | 23 | None | -21 | 11 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0301235 | ||
| 488 | 791 | 23 | None | -21 | 11 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0301235 | ||
| CHEMBL965 | 791 | 23 | None | -21 | 11 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0301235 | ||
| DB00411 | 791 | 23 | None | -21 | 11 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0301235 | ||
| 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 | ||
| 11057 | 176125 | 23 | None | 1 | 20 | Human | 6.0 | pIC50 | = | 6 | 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 | 6.0 | pIC50 | = | 6 | 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 | 6.0 | pIC50 | = | 6 | 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 | 6.0 | pIC50 | = | 6 | 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 | ||
| 1530 | 2169 | 50 | None | -32 | 21 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | ||
| 3827 | 2169 | 50 | None | -32 | 21 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | ||
| 7206 | 2169 | 50 | None | -32 | 21 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | ||
| CHEMBL534 | 2169 | 50 | None | -32 | 21 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | ||
| DB00920 | 2169 | 50 | None | -32 | 21 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | ||
| 5282593 | 55228 | 26 | None | 1 | 5 | Human | 7.0 | pIC50 | = | 7 | 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 | 1 | 5 | Human | 7.0 | pIC50 | = | 7 | 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 | 1 | 5 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 275 | 3 | 1 | 4 | 1.9 | CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)C(O)c1ccccc1)C2 | nan | ||
| 10777692 | 11395 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 259 | 4 | 0 | 3 | 2.6 | CCOC(=O)C1CN(CC)CC=C1c1ccccc1 | 10.1021/jm980067l | ||
| CHEMBL1180296 | 11395 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 259 | 4 | 0 | 3 | 2.6 | CCOC(=O)C1CN(CC)CC=C1c1ccccc1 | 10.1021/jm980067l | ||
| CHEMBL120539 | 11395 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 259 | 4 | 0 | 3 | 2.6 | CCOC(=O)C1CN(CC)CC=C1c1ccccc1 | 10.1021/jm980067l | ||
| 3013846 | 188215 | 2 | None | -1 | 5 | Human | 6.0 | pIC50 | = | 6.0 | 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 | -1 | 5 | Human | 6.0 | pIC50 | = | 6.0 | 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 | ||
| 2200 | 3109 | 46 | None | -2 | 13 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm501173q | ||
| 328 | 3109 | 46 | None | -2 | 13 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm501173q | ||
| 4848 | 3109 | 46 | None | -2 | 13 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm501173q | ||
| CHEMBL9967 | 3109 | 46 | None | -2 | 13 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm501173q | ||
| DB00670 | 3109 | 46 | None | -2 | 13 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm501173q | ||
| 2200 | 3109 | 46 | None | -2 | 13 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm501173q | ||
| 328 | 3109 | 46 | None | -2 | 13 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm501173q | ||
| 4848 | 3109 | 46 | None | -2 | 13 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm501173q | ||
| CHEMBL9967 | 3109 | 46 | None | -2 | 13 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm501173q | ||
| DB00670 | 3109 | 46 | None | -2 | 13 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm501173q | ||
| 2683 | 102861 | 25 | None | -2 | 16 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 304 | 15 | 0 | 0 | 6.5 | CCCCCCCCCCCCCCCC[n+]1ccccc1 | nan | ||
| CHEMBL305906 | 102861 | 25 | None | -2 | 16 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 304 | 15 | 0 | 0 | 6.5 | CCCCCCCCCCCCCCCC[n+]1ccccc1 | nan | ||
| CHEMBL334255 | 102861 | 25 | None | -2 | 16 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 304 | 15 | 0 | 0 | 6.5 | CCCCCCCCCCCCCCCC[n+]1ccccc1 | nan | ||
| 10567192 | 12064 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | 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 | 7.0 | pIC50 | = | 7.0 | 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 | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 313 | 4 | 0 | 3 | 3.9 | CCN1CC=C(c2ccccc2)C(C(=O)OC2CCCCC2)C1 | 10.1021/jm980067l | ||
| 10678449 | 22621 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 154 | 2 | 0 | 3 | 0.6 | CO/N=C/[C@H]1CN2CC[C@H]1C2 | 10.1021/jm9702903 | ||
| CHEMBL132698 | 22621 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 154 | 2 | 0 | 3 | 0.6 | CO/N=C/[C@H]1CN2CC[C@H]1C2 | 10.1021/jm9702903 | ||
| 10593954 | 13044 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | 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 | 6.0 | pIC50 | = | 6.0 | 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 | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 349 | 7 | 0 | 3 | 4.2 | CCN1CC=C(c2ccccc2)C(C(=O)OCCCc2ccccc2)C1 | 10.1021/jm980067l | ||
| 324 | 1912 | 15 | None | -1 | 9 | Human | 6.9 | pIC50 | = | 6.9 | 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 | -1 | 9 | Human | 6.9 | pIC50 | = | 6.9 | 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 | -1 | 9 | Human | 6.9 | pIC50 | = | 6.9 | 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 | ||
| 10784004 | 13355 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 349 | 7 | 0 | 3 | 4.3 | CCN1CCC(c2ccccc2)=C(C(=O)OCCCc2ccccc2)C1 | 10.1021/jm980067l | ||
| CHEMBL1192621 | 13355 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 349 | 7 | 0 | 3 | 4.3 | CCN1CCC(c2ccccc2)=C(C(=O)OCCCc2ccccc2)C1 | 10.1021/jm980067l | ||
| CHEMBL543890 | 13355 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 349 | 7 | 0 | 3 | 4.3 | CCN1CCC(c2ccccc2)=C(C(=O)OCCCc2ccccc2)C1 | 10.1021/jm980067l | ||
| 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 | ||
| 2812 | 4747 | 101 | None | -19 | 34 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 344 | 4 | 0 | 2 | 5.4 | Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 | nan | ||
| CHEMBL104 | 4747 | 101 | None | -19 | 34 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 344 | 4 | 0 | 2 | 5.4 | Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 | nan | ||
| 107782 | 14436 | 18 | None | -1 | 5 | Human | 4.9 | pIC50 | = | 4.9 | 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 | -1 | 5 | Human | 4.9 | pIC50 | = | 4.9 | 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 | -1 | 5 | Human | 4.9 | pIC50 | = | 4.9 | 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 | ||
| 10082470 | 52687 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 227 | 2 | 0 | 5 | 2.0 | CSc1nsnc1C1=CCCN(C)C1 | 10.1021/jm9705216 | ||
| CHEMBL15944 | 52687 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 227 | 2 | 0 | 5 | 2.0 | CSc1nsnc1C1=CCCN(C)C1 | 10.1021/jm9705216 | ||
| CHEMBL308608 | 52687 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 227 | 2 | 0 | 5 | 2.0 | CSc1nsnc1C1=CCCN(C)C1 | 10.1021/jm9705216 | ||
| 14925759 | 158014 | 6 | None | -3235 | 13 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 349 | 5 | 0 | 3 | 3.2 | O=C1CCc2ccccc2N1CCCN1CCN(c2ccccc2)CC1 | 10.1021/acs.jmedchem.8b00265 | ||
| CHEMBL4085780 | 158014 | 6 | None | -3235 | 13 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 349 | 5 | 0 | 3 | 3.2 | O=C1CCc2ccccc2N1CCCN1CCN(c2ccccc2)CC1 | 10.1021/acs.jmedchem.8b00265 | ||
| 137640201 | 156937 | 2 | None | -575 | 13 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 362 | 6 | 0 | 2 | 4.3 | O=C1CCc2ccccc2N1CCCN1CCC(Cc2ccccc2)CC1 | 10.1021/acs.jmedchem.8b00265 | ||
| CHEMBL4072818 | 156937 | 2 | None | -575 | 13 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 362 | 6 | 0 | 2 | 4.3 | O=C1CCc2ccccc2N1CCCN1CCC(Cc2ccccc2)CC1 | 10.1021/acs.jmedchem.8b00265 | ||
| 118719926 | 115754 | 0 | None | -102 | 8 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 358 | 9 | 1 | 3 | 3.6 | O=C1CCc2ccccc2N1CCCN1CCC(CCCCCO)CC1 | 10.1021/jm501173q | ||
| CHEMBL3354073 | 115754 | 0 | None | -102 | 8 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 358 | 9 | 1 | 3 | 3.6 | O=C1CCc2ccccc2N1CCCN1CCC(CCCCCO)CC1 | 10.1021/jm501173q | ||
| 4601 | 206724 | 35 | None | -1 | 17 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 269 | 6 | 0 | 2 | 3.7 | Cc1ccccc1C(OCCN(C)C)c1ccccc1 | nan | ||
| CHEMBL1201023 | 206724 | 35 | None | -1 | 17 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 269 | 6 | 0 | 2 | 3.7 | Cc1ccccc1C(OCCN(C)C)c1ccccc1 | nan | ||
| CHEMBL900 | 206724 | 35 | None | -1 | 17 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 269 | 6 | 0 | 2 | 3.7 | Cc1ccccc1C(OCCN(C)C)c1ccccc1 | nan | ||
| 10854879 | 11385 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 343 | 10 | 0 | 3 | 4.9 | CCCCCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 | 10.1021/jm980067l | ||
| CHEMBL1180239 | 11385 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 343 | 10 | 0 | 3 | 4.9 | CCCCCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 | 10.1021/jm980067l | ||
| CHEMBL118241 | 11385 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 343 | 10 | 0 | 3 | 4.9 | CCCCCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 | 10.1021/jm980067l | ||
| 153284501 | 176115 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 480 | 5 | 1 | 5 | 4.4 | CC[C@@]12CCCN3CCc4c([nH]c5ccccc45)[C@]31N(Cc1cn(Cc3ccccc3)nn1)C(=O)C2 | 10.1021/acs.jmedchem.9b01924 | ||
| CHEMBL4592258 | 176115 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 480 | 5 | 1 | 5 | 4.4 | CC[C@@]12CCCN3CCc4c([nH]c5ccccc45)[C@]31N(Cc1cn(Cc3ccccc3)nn1)C(=O)C2 | 10.1021/acs.jmedchem.9b01924 | ||
| 10538337 | 12079 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | 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 | 4.9 | pIC50 | = | 4.9 | 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 | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 245 | 3 | 0 | 3 | 2.2 | CCN1CC=C(c2ccccc2)C(C(=O)OC)C1 | 10.1021/jm980067l | ||
| 10641009 | 11394 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 341 | 6 | 0 | 3 | 4.7 | CCN1CCC(c2ccccc2)=C(C(=O)OCCC2CCCCC2)C1 | 10.1021/jm980067l | ||
| CHEMBL1180292 | 11394 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 341 | 6 | 0 | 3 | 4.7 | CCN1CCC(c2ccccc2)=C(C(=O)OCCC2CCCCC2)C1 | 10.1021/jm980067l | ||
| CHEMBL120472 | 11394 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 341 | 6 | 0 | 3 | 4.7 | CCN1CCC(c2ccccc2)=C(C(=O)OCCC2CCCCC2)C1 | 10.1021/jm980067l | ||
| 44190762 | 176856 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 531 | 8 | 1 | 5 | 6.6 | Cc1c(C(=O)c2ccc(Cl)cc2)c2ccc(OC(F)(F)F)cc2n1Cc1cccc(O[C@H](C)C(=O)O)c1 | 10.1016/j.bmcl.2008.07.103 | ||
| CHEMBL461571 | 176856 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 531 | 8 | 1 | 5 | 6.6 | Cc1c(C(=O)c2ccc(Cl)cc2)c2ccc(OC(F)(F)F)cc2n1Cc1cccc(O[C@H](C)C(=O)O)c1 | 10.1016/j.bmcl.2008.07.103 | ||
| 2230 | 464 | 60 | None | -218 | 10 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1021/jm9702903 | ||
| 296 | 464 | 60 | None | -218 | 10 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1021/jm9702903 | ||
| CHEMBL7303 | 464 | 60 | None | -218 | 10 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1021/jm9702903 | ||
| DB04365 | 464 | 60 | None | -218 | 10 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1021/jm9702903 | ||
| 2274 | 3151 | 58 | None | -16 | 32 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | ||
| 4917 | 3151 | 58 | None | -16 | 32 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | ||
| 7279 | 3151 | 58 | None | -16 | 32 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | ||
| CHEMBL728 | 3151 | 58 | None | -16 | 32 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | ||
| DB00433 | 3151 | 58 | None | -16 | 32 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | ||
| 10610375 | 11390 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 245 | 3 | 0 | 3 | 2.3 | CCN1CCC(c2ccccc2)=C(C(=O)OC)C1 | 10.1021/jm980067l | ||
| CHEMBL1180284 | 11390 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 245 | 3 | 0 | 3 | 2.3 | CCN1CCC(c2ccccc2)=C(C(=O)OC)C1 | 10.1021/jm980067l | ||
| CHEMBL120109 | 11390 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 245 | 3 | 0 | 3 | 2.3 | CCN1CCC(c2ccccc2)=C(C(=O)OC)C1 | 10.1021/jm980067l | ||
| 10610375 | 11390 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 245 | 3 | 0 | 3 | 2.3 | CCN1CCC(c2ccccc2)=C(C(=O)OC)C1 | 10.1021/jm301774u | ||
| CHEMBL1180284 | 11390 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 245 | 3 | 0 | 3 | 2.3 | CCN1CCC(c2ccccc2)=C(C(=O)OC)C1 | 10.1021/jm301774u | ||
| CHEMBL120109 | 11390 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 245 | 3 | 0 | 3 | 2.3 | CCN1CCC(c2ccccc2)=C(C(=O)OC)C1 | 10.1021/jm301774u | ||
| 6075 | 150084 | 42 | None | -2 | 16 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 310 | 2 | 0 | 3 | 4.6 | CN1CCCC(CN2c3ccccc3Sc3ccccc32)C1 | nan | ||
| CHEMBL395110 | 150084 | 42 | None | -2 | 16 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 310 | 2 | 0 | 3 | 4.6 | CN1CCCC(CN2c3ccccc3Sc3ccccc32)C1 | nan | ||
| 441383 | 20301 | 57 | None | -5 | 17 | Human | 4.9 | pIC50 | = | 4.9 | 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 | -5 | 17 | Human | 4.9 | pIC50 | = | 4.9 | 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 | ||
| 10760249 | 11391 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | 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 | 6.9 | pIC50 | = | 6.9 | 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 | 6.9 | pIC50 | = | 6.9 | 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 | 6.9 | pIC50 | = | 6.9 | 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 | 6.9 | pIC50 | = | 6.9 | 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 | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 349 | 6 | 0 | 3 | 4.3 | CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc(C)cc2)C1 | 10.1021/jm980067l | ||
| 10636001 | 11393 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | 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 | 5.9 | pIC50 | = | 5.9 | 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 | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 273 | 5 | 0 | 3 | 3.1 | CCCOC(=O)C1=C(c2ccccc2)CCN(CC)C1 | 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 | ||
| 118719922 | 115749 | 0 | None | -1 | 5 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 565 | 14 | 0 | 7 | 6.1 | CN1CCC=C(c2nsnc2OCCCCCCCC2CCN(CCCN3C(=O)CCc4ccccc43)CC2)C1 | 10.1021/jm501173q | ||
| CHEMBL3354068 | 115749 | 0 | None | -1 | 5 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 565 | 14 | 0 | 7 | 6.1 | CN1CCC=C(c2nsnc2OCCCCCCCC2CCN(CCCN3C(=O)CCc4ccccc43)CC2)C1 | 10.1021/jm501173q | ||
| 164606754 | 184678 | 7 | None | - | 0 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 432 | 5 | 1 | 5 | 4.1 | Fc1cc(F)c(F)c(-c2ccc(N[C@H]3C[C@@H]4CN(CC5CCOCC5)C[C@@H]4C3)nn2)c1 | 10.1021/acsmedchemlett.1c00363 | ||
| CHEMBL4850236 | 184678 | 7 | None | - | 0 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 432 | 5 | 1 | 5 | 4.1 | Fc1cc(F)c(F)c(-c2ccc(N[C@H]3C[C@@H]4CN(CC5CCOCC5)C[C@@H]4C3)nn2)c1 | 10.1021/acsmedchemlett.1c00363 | ||
| CHEMBL4873617 | 184678 | 7 | None | - | 0 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 432 | 5 | 1 | 5 | 4.1 | Fc1cc(F)c(F)c(-c2ccc(N[C@H]3C[C@@H]4CN(CC5CCOCC5)C[C@@H]4C3)nn2)c1 | 10.1021/acsmedchemlett.1c00363 | ||
| 10759393 | 84356 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | 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 | 6.8 | pIC50 | = | 6.8 | 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 | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 337 | 6 | 0 | 3 | 3.9 | CCN1CC[C@@H](c2ccccc2)[C@H](C(=O)OCCc2ccccc2)C1 | 10.1021/jm980067l | ||
| 10846833 | 49775 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 225 | 0 | 0 | 5 | 1.7 | CN1CCC2=C(C1)c1nsnc1SC2 | 10.1021/jm9705216 | ||
| CHEMBL15675 | 49775 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 225 | 0 | 0 | 5 | 1.7 | CN1CCC2=C(C1)c1nsnc1SC2 | 10.1021/jm9705216 | ||
| 10663572 | 13127 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | 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 | 6.8 | pIC50 | = | 6.8 | 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 | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 321 | 5 | 0 | 3 | 3.8 | CCN1CC=C(c2ccccc2)C(C(=O)OCc2ccccc2)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 | ||
| 118719927 | 115755 | 0 | None | -3 | 8 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 386 | 11 | 1 | 3 | 4.4 | O=C1CCc2ccccc2N1CCCN1CCC(CCCCCCCO)CC1 | 10.1021/jm501173q | ||
| CHEMBL3354074 | 115755 | 0 | None | -3 | 8 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 386 | 11 | 1 | 3 | 4.4 | O=C1CCc2ccccc2N1CCCN1CCC(CCCCCCCO)CC1 | 10.1021/jm501173q | ||
| 2726 | 916 | 68 | None | -25 | 73 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
| 621 | 916 | 68 | None | -25 | 73 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
| 83 | 916 | 68 | None | -25 | 73 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
| CHEMBL71 | 916 | 68 | None | -25 | 73 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
| DB00477 | 916 | 68 | None | -25 | 73 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
| 44302755 | 202653 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | 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 | 5.8 | pIC50 | = | 5.8 | 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 | ||
| 9913341 | 82129 | 4 | None | 3 | 5 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 487 | 16 | 0 | 13 | 1.6 | COc1nsnc1OCCOCCOCCOCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm0301235 | ||
| CHEMBL216927 | 82129 | 4 | None | 3 | 5 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 487 | 16 | 0 | 13 | 1.6 | COc1nsnc1OCCOCCOCCOCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm0301235 | ||
| CHEMBL553058 | 82129 | 4 | None | 3 | 5 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 487 | 16 | 0 | 13 | 1.6 | COc1nsnc1OCCOCCOCCOCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm0301235 | ||
| 135398745 | 2893 | 112 | None | -32 | 66 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | nan | ||
| 47 | 2893 | 112 | None | -32 | 66 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | nan | ||
| CHEMBL715 | 2893 | 112 | None | -32 | 66 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | nan | ||
| DB00334 | 2893 | 112 | None | -32 | 66 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | nan | ||
| 60838 | 183850 | 99 | None | 1 | 2 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 586 | 4 | 1 | 9 | 4.1 | CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC | nan | ||
| CHEMBL481 | 183850 | 99 | None | 1 | 2 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 586 | 4 | 1 | 9 | 4.1 | CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC | nan | ||
| 10522336 | 15098 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 357 | 11 | 0 | 3 | 5.3 | CCCCCCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 | 10.1021/jm980067l | ||
| CHEMBL120972 | 15098 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 357 | 11 | 0 | 3 | 5.3 | CCCCCCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 | 10.1021/jm980067l | ||
| 2337 | 3232 | 77 | None | -26 | 63 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | nan | ||
| 50 | 3232 | 77 | None | -26 | 63 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | nan | ||
| 5002 | 3232 | 77 | None | -26 | 63 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | nan | ||
| CHEMBL716 | 3232 | 77 | None | -26 | 63 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | nan | ||
| DB01224 | 3232 | 77 | None | -26 | 63 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | nan | ||
| 46871844 | 6780 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | 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 | 6.8 | pIC50 | = | 6.8 | 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 | ||
| 4735 | 195092 | 96 | None | -6 | 10 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 340 | 10 | 4 | 4 | 2.9 | N=C(N)c1ccc(OCCCCCOc2ccc(C(=N)N)cc2)cc1 | nan | ||
| CHEMBL361506 | 195092 | 96 | None | -6 | 10 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 340 | 10 | 4 | 4 | 2.9 | N=C(N)c1ccc(OCCCCCOc2ccc(C(=N)N)cc2)cc1 | nan | ||
| CHEMBL55 | 195092 | 96 | None | -6 | 10 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 340 | 10 | 4 | 4 | 2.9 | N=C(N)c1ccc(OCCCCCOc2ccc(C(=N)N)cc2)cc1 | nan | ||
| 46871665 | 6563 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | 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 | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 346 | 4 | 2 | 2 | 3.9 | O=C(NCC1CCNCC1)c1ccccc1-c1cc(Cl)ccc1F | 10.1016/j.bmcl.2010.04.128 | ||
| 277 | 1289 | 62 | None | -6 | 46 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | ||
| 2913 | 1289 | 62 | None | -6 | 46 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | ||
| 765 | 1289 | 62 | None | -6 | 46 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | ||
| CHEMBL516 | 1289 | 62 | None | -6 | 46 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | ||
| DB00434 | 1289 | 62 | None | -6 | 46 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | ||
| 118719926 | 115754 | 0 | None | -102 | 8 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 358 | 9 | 1 | 3 | 3.6 | O=C1CCc2ccccc2N1CCCN1CCC(CCCCCO)CC1 | 10.1021/jm501173q | ||
| CHEMBL3354073 | 115754 | 0 | None | -102 | 8 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 358 | 9 | 1 | 3 | 3.6 | O=C1CCc2ccccc2N1CCCN1CCC(CCCCCO)CC1 | 10.1021/jm501173q | ||
| 2750 | 204038 | 76 | None | -1 | 12 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 333 | 5 | 1 | 4 | 3.9 | CC1(COc2ccc(CC3SC(=O)NC3=O)cc2)CCCCC1 | nan | ||
| CHEMBL7002 | 204038 | 76 | None | -1 | 12 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 333 | 5 | 1 | 4 | 3.9 | CC1(COc2ccc(CC3SC(=O)NC3=O)cc2)CCCCC1 | nan | ||
| 44302775 | 202773 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | 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 | 5.8 | pIC50 | = | 5.8 | 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 | ||
| 1548953 | 207656 | 27 | None | -1 | 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 | -1 | 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 | ||
| 10782462 | 12082 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | 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 | 6.8 | pIC50 | = | 6.8 | 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 | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 327 | 5 | 0 | 3 | 4.1 | CCN1CC=C(c2ccccc2)C(C(=O)OCC2CCCCC2)C1 | 10.1021/jm980067l | ||
| CHEMBL5287400 | 194360 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 417 | 5 | 0 | 6 | 5.2 | COc1cc2ccc(-c3nc(C)ccc3-c3cnn(CC4(F)CCCC4)c3)cc2nn1 | 10.1039/D1MD00096A | ||
| 191 | 402 | 98 | None | -29 | 29 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | nan | ||
| 201 | 402 | 98 | None | -29 | 29 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | nan | ||
| 2170 | 402 | 98 | None | -29 | 29 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | nan | ||
| CHEMBL1113 | 402 | 98 | None | -29 | 29 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | nan | ||
| DB00543 | 402 | 98 | None | -29 | 29 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | nan | ||
| 10664532 | 12080 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | 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 | 5.8 | pIC50 | = | 5.8 | 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 | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 335 | 6 | 0 | 3 | 3.8 | CCN1CC=C(c2ccccc2)C(C(=O)OCCc2ccccc2)C1 | 10.1021/jm980067l | ||
| 10569816 | 11427 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | 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 | 5.8 | pIC50 | = | 5.8 | 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 | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 349 | 6 | 0 | 3 | 4.1 | CCN1CC=C(c2ccccc2)C(C(=O)OCCc2ccc(C)cc2)C1 | 10.1021/jm980067l | ||
| 10236758 | 115746 | 5 | None | -213 | 13 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 328 | 7 | 0 | 2 | 4.3 | CCCCC1CCN(CCCN2C(=O)CCc3ccccc32)CC1 | 10.1021/jm501173q | ||
| CHEMBL3354065 | 115746 | 5 | None | -213 | 13 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 328 | 7 | 0 | 2 | 4.3 | CCCCC1CCN(CCCN2C(=O)CCc3ccccc32)CC1 | 10.1021/jm501173q | ||
| 2247 | 504 | 81 | None | -23 | 42 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | ||
| 249 | 504 | 81 | None | -23 | 42 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | ||
| 2603 | 504 | 81 | None | -23 | 42 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | ||
| CHEMBL296419 | 504 | 81 | None | -23 | 42 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | ||
| DB00637 | 504 | 81 | None | -23 | 42 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | ||
| 118719922 | 115749 | 0 | None | -1 | 5 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 565 | 14 | 0 | 7 | 6.1 | CN1CCC=C(c2nsnc2OCCCCCCCC2CCN(CCCN3C(=O)CCc4ccccc43)CC2)C1 | 10.1021/jm501173q | ||
| CHEMBL3354068 | 115749 | 0 | None | -1 | 5 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 565 | 14 | 0 | 7 | 6.1 | CN1CCC=C(c2nsnc2OCCCCCCCC2CCN(CCCN3C(=O)CCc4ccccc43)CC2)C1 | 10.1021/jm501173q | ||
| 10594386 | 11386 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | 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 | 4.7 | pIC50 | = | 4.7 | 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 | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 355 | 7 | 0 | 3 | 4.9 | CCN1CC=C(c2ccccc2)C(C(=O)OCCCC2CCCCC2)C1 | 10.1021/jm980067l | ||
| 1210 | 915 | 51 | None | -57 | 21 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| 1213 | 915 | 51 | None | -57 | 21 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| 2725 | 915 | 51 | None | -57 | 21 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| 33036 | 915 | 51 | None | -57 | 21 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| 4411 | 915 | 51 | None | -57 | 21 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| 616 | 915 | 51 | None | -57 | 21 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| 6976 | 915 | 51 | None | -57 | 21 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| 716121 | 915 | 51 | None | -57 | 21 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| 90475904 | 915 | 51 | None | -57 | 21 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| CHEMBL1201353 | 915 | 51 | None | -57 | 21 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| CHEMBL1554789 | 915 | 51 | None | -57 | 21 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| CHEMBL505 | 915 | 51 | None | -57 | 21 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| DB01114 | 915 | 51 | None | -57 | 21 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| DB13679 | 915 | 51 | None | -57 | 21 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| 237 | 204842 | 48 | None | -1 | 13 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | nan | ||
| CHEMBL546257 | 204842 | 48 | None | -1 | 13 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | nan | ||
| CHEMBL554190 | 204842 | 48 | None | -1 | 13 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | nan | ||
| CHEMBL7568 | 204842 | 48 | None | -1 | 13 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | 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 | ||
| 1201549 | 594 | 24 | None | -1 | 20 | Human | 8.6 | pIC50 | = | 8.6 | 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 | -1 | 20 | Human | 8.6 | pIC50 | = | 8.6 | 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 | -1 | 20 | Human | 8.6 | pIC50 | = | 8.6 | 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 | -1 | 20 | Human | 8.6 | pIC50 | = | 8.6 | 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 | -1 | 20 | Human | 8.6 | pIC50 | = | 8.6 | 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 | -1 | 20 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | ||
| 3042 | 1402 | 35 | None | -1 | 15 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | nan | ||
| 355 | 1402 | 35 | None | -1 | 15 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | nan | ||
| 868 | 1402 | 35 | None | -1 | 15 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | nan | ||
| CHEMBL1123 | 1402 | 35 | None | -1 | 15 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | nan | ||
| DB00804 | 1402 | 35 | None | -1 | 15 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | nan | ||
| 26987 | 946 | 33 | None | -38 | 21 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | ||
| 6063 | 946 | 33 | None | -38 | 21 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | ||
| 671 | 946 | 33 | None | -38 | 21 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | ||
| CHEMBL1626 | 946 | 33 | None | -38 | 21 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | ||
| DB00283 | 946 | 33 | None | -38 | 21 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | ||
| 10567372 | 12099 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 315 | 8 | 0 | 3 | 4.1 | CCCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 | 10.1021/jm980067l | ||
| CHEMBL1160977 | 12099 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 315 | 8 | 0 | 3 | 4.1 | CCCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 | 10.1021/jm980067l | ||
| CHEMBL1184119 | 12099 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 315 | 8 | 0 | 3 | 4.1 | CCCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 | 10.1021/jm980067l | ||
| CHEMBL333065 | 12099 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 315 | 8 | 0 | 3 | 4.1 | CCCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 | 10.1021/jm980067l | ||
| 44302900 | 202775 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | 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 | 5.7 | pIC50 | = | 5.7 | 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 | ||
| 135 | 2515 | 43 | None | -22 | 58 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | ||
| 1796 | 2515 | 43 | None | -22 | 58 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | ||
| 4184 | 2515 | 43 | None | -22 | 58 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | ||
| CHEMBL6437 | 2515 | 43 | None | -22 | 58 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | ||
| DB06148 | 2515 | 43 | None | -22 | 58 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | ||
| 3198 | 205490 | 76 | None | -8 | 34 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | ||
| CHEMBL1201049 | 205490 | 76 | None | -8 | 34 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | ||
| CHEMBL808 | 205490 | 76 | None | -8 | 34 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | ||
| 10547222 | 114760 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 371 | 12 | 0 | 3 | 5.7 | CCCCCCCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 | 10.1021/jm980067l | ||
| CHEMBL333940 | 114760 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 371 | 12 | 0 | 3 | 5.7 | CCCCCCCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 | 10.1021/jm980067l | ||
| 10592484 | 11403 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 329 | 9 | 0 | 3 | 4.5 | CCCCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 | 10.1021/jm980067l | ||
| CHEMBL1180314 | 11403 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 329 | 9 | 0 | 3 | 4.5 | CCCCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 | 10.1021/jm980067l | ||
| CHEMBL121476 | 11403 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 329 | 9 | 0 | 3 | 4.5 | CCCCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 | 10.1021/jm980067l | ||
| 10666533 | 11400 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | 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 | 5.7 | pIC50 | = | 5.7 | 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 | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 365 | 7 | 0 | 4 | 3.8 | CCN1CC=C(c2ccccc2)C(C(=O)OCCc2ccc(OC)cc2)C1 | 10.1021/jm980067l | ||
| 10236758 | 115746 | 5 | None | -213 | 13 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 328 | 7 | 0 | 2 | 4.3 | CCCCC1CCN(CCCN2C(=O)CCc3ccccc32)CC1 | 10.1021/jm501173q | ||
| CHEMBL3354065 | 115746 | 5 | None | -213 | 13 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 328 | 7 | 0 | 2 | 4.3 | CCCCC1CCN(CCCN2C(=O)CCc3ccccc32)CC1 | 10.1021/jm501173q | ||
| 10499832 | 12103 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | 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 | 5.6 | pIC50 | = | 5.6 | 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 | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 377 | 9 | 0 | 3 | 5.0 | CCN1CC=C(c2ccccc2)C(C(=O)OCCCCCc2ccccc2)C1 | 10.1021/jm980067l | ||
| 43815 | 186896 | 64 | None | -8 | 25 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 329 | 4 | 1 | 4 | 3.3 | Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1 | nan | ||
| CHEMBL1708 | 186896 | 64 | None | -8 | 25 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 329 | 4 | 1 | 4 | 3.3 | Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1 | nan | ||
| CHEMBL490 | 186896 | 64 | None | -8 | 25 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 329 | 4 | 1 | 4 | 3.3 | Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1 | nan | ||
| 101882890 | 115750 | 0 | None | -1 | 5 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 593 | 16 | 0 | 7 | 6.8 | CN1CCC=C(c2nsnc2OCCCCCCCCCC2CCN(CCCN3C(=O)CCc4ccccc43)CC2)C1 | 10.1021/jm501173q | ||
| CHEMBL3354069 | 115750 | 0 | None | -1 | 5 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 593 | 16 | 0 | 7 | 6.8 | CN1CCC=C(c2nsnc2OCCCCCCCCCC2CCN(CCCN3C(=O)CCc4ccccc43)CC2)C1 | 10.1021/jm501173q | ||
| 2200 | 3109 | 46 | None | -2 | 13 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm980067l | ||
| 328 | 3109 | 46 | None | -2 | 13 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm980067l | ||
| 4848 | 3109 | 46 | None | -2 | 13 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm980067l | ||
| CHEMBL9967 | 3109 | 46 | None | -2 | 13 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm980067l | ||
| DB00670 | 3109 | 46 | None | -2 | 13 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm980067l | ||
| 2774 | 3839 | 95 | None | 1 | 10 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | nan | ||
| 5593 | 3839 | 95 | None | 1 | 10 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | nan | ||
| 7319 | 3839 | 95 | None | 1 | 10 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | nan | ||
| CHEMBL1200604 | 3839 | 95 | None | 1 | 10 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | nan | ||
| DB00809 | 3839 | 95 | None | 1 | 10 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | nan | ||
| DB01199 | 3839 | 95 | None | 1 | 10 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | nan | ||
| 3652 | 4066 | 79 | None | -3 | 18 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm0301235 | ||
| 57 | 4066 | 79 | None | -3 | 18 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm0301235 | ||
| 60809 | 4066 | 79 | None | -3 | 18 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm0301235 | ||
| CHEMBL21536 | 4066 | 79 | None | -3 | 18 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm0301235 | ||
| DB15357 | 4066 | 79 | None | -3 | 18 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm0301235 | ||
| 2335 | 11816 | 22 | None | 1 | 12 | Human | 6.6 | pIC50 | = | 6.6 | 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 | 6.6 | pIC50 | = | 6.6 | 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 | 6.6 | pIC50 | = | 6.6 | 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 | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | nan | ||
| 10854880 | 11389 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | 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 | 6.6 | pIC50 | = | 6.6 | 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 | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 343 | 10 | 0 | 3 | 5.1 | CCCCCCCCOC(=O)C1=C(c2ccccc2)CCN(CC)C1 | 10.1021/jm980067l | ||
| 5648 | 78382 | 9 | None | -1 | 5 | Human | 7.6 | pIC50 | = | 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 | -1 | 5 | Human | 7.6 | pIC50 | = | 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 | -1 | 5 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 306 | 9 | 0 | 2 | 3.8 | CCC(C)C(C(=O)OCC[N+](C)(CC)CC)c1ccccc1 | nan | ||
| 68617 | 205504 | 62 | None | -20 | 26 | Human | 5.6 | pIC50 | = | 5.6 | 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 | -20 | 26 | Human | 5.6 | pIC50 | = | 5.6 | 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 | -20 | 26 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | nan | ||
| 44302834 | 202687 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | 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 | 5.6 | pIC50 | = | 5.6 | 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 | ||
| 3055 | 1421 | 44 | None | -1 | 9 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 309 | 6 | 1 | 2 | 4.2 | OC(c1ccccc1)(c1ccccc1)CCCN1CCCCC1 | nan | ||
| 313 | 1421 | 44 | None | -1 | 9 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 309 | 6 | 1 | 2 | 4.2 | OC(c1ccccc1)(c1ccccc1)CCCN1CCCCC1 | nan | ||
| 7163 | 1421 | 44 | None | -1 | 9 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 309 | 6 | 1 | 2 | 4.2 | OC(c1ccccc1)(c1ccccc1)CCCN1CCCCC1 | nan | ||
| CHEMBL936 | 1421 | 44 | None | -1 | 9 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 309 | 6 | 1 | 2 | 4.2 | OC(c1ccccc1)(c1ccccc1)CCCN1CCCCC1 | nan | ||
| DB01231 | 1421 | 44 | None | -1 | 9 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 309 | 6 | 1 | 2 | 4.2 | OC(c1ccccc1)(c1ccccc1)CCCN1CCCCC1 | nan | ||
| 10808719 | 12100 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 363 | 8 | 0 | 3 | 4.7 | CCN1CCC(c2ccccc2)=C(C(=O)OCCCCc2ccccc2)C1 | 10.1021/jm980067l | ||
| CHEMBL1184120 | 12100 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 363 | 8 | 0 | 3 | 4.7 | CCN1CCC(c2ccccc2)=C(C(=O)OCCCCc2ccccc2)C1 | 10.1021/jm980067l | ||
| CHEMBL333125 | 12100 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 363 | 8 | 0 | 3 | 4.7 | CCN1CCC(c2ccccc2)=C(C(=O)OCCCCc2ccccc2)C1 | 10.1021/jm980067l | ||
| 10546275 | 15170 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | 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 | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 357 | 11 | 0 | 3 | 5.5 | CCCCCCCCCOC(=O)C1=C(c2ccccc2)CCN(CC)C1 | 10.1021/jm980067l | ||
| CHEMBL5287400 | 194360 | 0 | None | - | 0 | Rat | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 417 | 5 | 0 | 6 | 5.2 | COc1cc2ccc(-c3nc(C)ccc3-c3cnn(CC4(F)CCCC4)c3)cc2nn1 | 10.1039/D1MD00096A | ||
| 2284 | 3160 | 33 | None | -7 | 29 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | ||
| 4926 | 3160 | 33 | None | -7 | 29 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | ||
| 7281 | 3160 | 33 | None | -7 | 29 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | ||
| CHEMBL564 | 3160 | 33 | None | -7 | 29 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | ||
| DB00420 | 3160 | 33 | None | -7 | 29 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | ||
| 11968014 | 12726 | 5 | None | -12 | 9 | Human | 8.4 | pIC50 | = | 8.4 | 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/jm501173q | ||
| CHEMBL1187846 | 12726 | 5 | None | -12 | 9 | Human | 8.4 | pIC50 | = | 8.4 | 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/jm501173q | ||
| 11968014 | 12726 | 5 | None | -12 | 9 | Human | 8.4 | pIC50 | = | 8.4 | 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/jm501173q | ||
| CHEMBL1187846 | 12726 | 5 | None | -12 | 9 | Human | 8.4 | pIC50 | = | 8.4 | 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/jm501173q | ||
| 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 | ||
| 44302728 | 198690 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | 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 | 6.5 | pIC50 | = | 6.5 | 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 | ||
| 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 | ||
| 46891179 | 6385 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | 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 | 5.5 | pIC50 | = | 5.5 | 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 | ||
| 46871666 | 7037 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 342 | 4 | 2 | 2 | 4.0 | CC1CNCCC1CNC(=O)c1ccccc1-c1cccc(Cl)c1 | 10.1016/j.bmcl.2010.04.128 | ||
| CHEMBL1084993 | 7037 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 342 | 4 | 2 | 2 | 4.0 | CC1CNCCC1CNC(=O)c1ccccc1-c1cccc(Cl)c1 | 10.1016/j.bmcl.2010.04.128 | ||
| 4189 | 206899 | 96 | None | -10 | 34 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | ||
| CHEMBL1559 | 206899 | 96 | None | -10 | 34 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | ||
| CHEMBL91 | 206899 | 96 | None | -10 | 34 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | ||
| 10611310 | 12091 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | 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 | 5.5 | pIC50 | = | 5.5 | 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 | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 259 | 4 | 0 | 3 | 2.7 | CCOC(=O)C1=C(c2ccccc2)CCN(CC)C1 | 10.1021/jm980067l | ||
| 124 | 2960 | 47 | None | -77 | 33 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | nan | ||
| 2032 | 2960 | 47 | None | -77 | 33 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | nan | ||
| 4636 | 2960 | 47 | None | -77 | 33 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | nan | ||
| CHEMBL762 | 2960 | 47 | None | -77 | 33 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | nan | ||
| DB00935 | 2960 | 47 | None | -77 | 33 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | nan | ||
| 9882189 | 167410 | 33 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 281 | 4 | 0 | 2 | 3.5 | CN(C)CC1CCOC1(c1ccccc1)c1ccccc1 | 10.1016/j.bmc.2022.117032 | ||
| CHEMBL4297224 | 167410 | 33 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 281 | 4 | 0 | 2 | 3.5 | CN(C)CC1CCOC1(c1ccccc1)c1ccccc1 | 10.1016/j.bmc.2022.117032 | ||
| 9882189 | 167410 | 33 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 281 | 4 | 0 | 2 | 3.5 | CN(C)CC1CCOC1(c1ccccc1)c1ccccc1 | 10.1021/acs.jmedchem.0c01192 | ||
| CHEMBL4297224 | 167410 | 33 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 281 | 4 | 0 | 2 | 3.5 | CN(C)CC1CCOC1(c1ccccc1)c1ccccc1 | 10.1021/acs.jmedchem.0c01192 | ||
| 118719926 | 115754 | 0 | None | -102 | 8 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 358 | 9 | 1 | 3 | 3.6 | O=C1CCc2ccccc2N1CCCN1CCC(CCCCCO)CC1 | 10.1021/jm501173q | ||
| CHEMBL3354073 | 115754 | 0 | None | -102 | 8 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 358 | 9 | 1 | 3 | 3.6 | O=C1CCc2ccccc2N1CCCN1CCC(CCCCCO)CC1 | 10.1021/jm501173q | ||
| 5310989 | 200854 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | 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 | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 378 | 3 | 1 | 5 | 3.8 | CCOC(=O)c1c[nH]c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3 | 10.1016/s0960-894x(98)00351-5 | ||
| 124087 | 1377 | 114 | None | -7 | 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 | -7 | 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 | -7 | 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 | -7 | 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 | -7 | 15 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | nan | ||
| 1212 | 1649 | 50 | None | -501 | 66 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
| 204 | 1649 | 50 | None | -501 | 66 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
| 3372 | 1649 | 50 | None | -501 | 66 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
| CHEMBL726 | 1649 | 50 | None | -501 | 66 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
| DB00623 | 1649 | 50 | None | -501 | 66 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
| 118719921 | 115748 | 0 | None | -1 | 5 | Human | 6.5 | pIC50 | = | 6.5 | 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 | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 537 | 12 | 0 | 7 | 5.3 | CN1CCC=C(c2nsnc2OCCCCCC2CCN(CCCN3C(=O)CCc4ccccc43)CC2)C1 | 10.1021/jm501173q | ||
| 44302741 | 202632 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | 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 | 6.4 | pIC50 | = | 6.4 | 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 | ||
| 4746 | 204868 | 31 | None | 1 | 4 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 277 | 4 | 1 | 1 | 5.3 | C1CCC(C(CC2CCCCN2)C2CCCCC2)CC1 | nan | ||
| CHEMBL1334033 | 204868 | 31 | None | 1 | 4 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 277 | 4 | 1 | 1 | 5.3 | C1CCC(C(CC2CCCCN2)C2CCCCC2)CC1 | nan | ||
| CHEMBL75880 | 204868 | 31 | None | 1 | 4 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 277 | 4 | 1 | 1 | 5.3 | C1CCC(C(CC2CCCCN2)C2CCCCC2)CC1 | nan | ||
| 176 | 397 | 66 | None | -1 | 31 | Human | 5.4 | pIC50 | = | 5.4 | 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 | -1 | 31 | Human | 5.4 | pIC50 | = | 5.4 | 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 | -1 | 31 | Human | 5.4 | pIC50 | = | 5.4 | 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 | -1 | 31 | Human | 5.4 | pIC50 | = | 5.4 | 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 | -1 | 31 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | ||
| 118719928 | 115756 | 0 | None | 1 | 5 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 414 | 13 | 1 | 3 | 5.2 | O=C1CCc2ccccc2N1CCCN1CCC(CCCCCCCCCO)CC1 | 10.1021/jm501173q | ||
| CHEMBL3354075 | 115756 | 0 | None | 1 | 5 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 414 | 13 | 1 | 3 | 5.2 | O=C1CCc2ccccc2N1CCCN1CCC(CCCCCCCCCO)CC1 | 10.1021/jm501173q | ||
| 1547484 | 937 | 74 | None | -9 | 20 | Human | 5.4 | pIC50 | = | 5.4 | 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 | 5.4 | pIC50 | = | 5.4 | 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 | 5.4 | pIC50 | = | 5.4 | 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 | 5.4 | pIC50 | = | 5.4 | 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 | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
| 10358345 | 11410 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | 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 | 6.4 | pIC50 | = | 6.4 | 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 | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 315 | 8 | 0 | 3 | 4.3 | CCCCCCOC(=O)C1=C(c2ccccc2)CCN(CC)C1 | 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 | ||
| 1224 | 1420 | 83 | None | -3 | 13 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | nan | ||
| 3100 | 1420 | 83 | None | -3 | 13 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | nan | ||
| 8980 | 1420 | 83 | None | -3 | 13 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | nan | ||
| 916 | 1420 | 83 | None | -3 | 13 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | nan | ||
| CHEMBL657 | 1420 | 83 | None | -3 | 13 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | nan | ||
| DB01075 | 1420 | 83 | None | -3 | 13 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | nan | ||
| 10516408 | 11409 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 273 | 5 | 0 | 3 | 3.0 | CCCOC(=O)C1CN(CC)CC=C1c1ccccc1 | 10.1021/jm980067l | ||
| CHEMBL1180330 | 11409 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 273 | 5 | 0 | 3 | 3.0 | CCCOC(=O)C1CN(CC)CC=C1c1ccccc1 | 10.1021/jm980067l | ||
| CHEMBL122353 | 11409 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 273 | 5 | 0 | 3 | 3.0 | CCCOC(=O)C1CN(CC)CC=C1c1ccccc1 | 10.1021/jm980067l | ||
| 3168 | 9230 | 92 | None | -89 | 22 | Human | 5.4 | pIC50 | = | 5.4 | 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 | -89 | 22 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 379 | 6 | 1 | 4 | 3.7 | O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1 | nan | ||
| 5318 | 15544 | 49 | None | 1 | 13 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 396 | 6 | 0 | 3 | 6.5 | Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | ||
| CHEMBL1200348 | 15544 | 49 | None | 1 | 13 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 396 | 6 | 0 | 3 | 6.5 | Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | ||
| CHEMBL1221 | 15544 | 49 | None | 1 | 13 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 396 | 6 | 0 | 3 | 6.5 | Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | ||
| 46890977 | 6700 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | 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 | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 342 | 4 | 2 | 2 | 4.0 | Cc1ccc(-c2ccccc2C(=O)NCC2CCNCC2)cc1Cl | 10.1016/j.bmcl.2010.04.128 | ||
| 118719922 | 115749 | 0 | None | -1 | 5 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 565 | 14 | 0 | 7 | 6.1 | CN1CCC=C(c2nsnc2OCCCCCCCC2CCN(CCCN3C(=O)CCc4ccccc43)CC2)C1 | 10.1021/jm501173q | ||
| CHEMBL3354068 | 115749 | 0 | None | -1 | 5 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 565 | 14 | 0 | 7 | 6.1 | CN1CCC=C(c2nsnc2OCCCCCCCC2CCN(CCCN3C(=O)CCc4ccccc43)CC2)C1 | 10.1021/jm501173q | ||
| 4011 | 82379 | 49 | None | -11 | 24 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 277 | 4 | 1 | 1 | 4.2 | CNCCCC12CCC(c3ccccc31)c1ccccc12 | nan | ||
| CHEMBL21731 | 82379 | 49 | None | -11 | 24 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 277 | 4 | 1 | 1 | 4.2 | CNCCCC12CCC(c3ccccc31)c1ccccc12 | nan | ||
| 10549581 | 11417 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | 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 | 5.4 | pIC50 | = | 5.4 | 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 | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 411 | 7 | 0 | 3 | 5.4 | CCN1CC=C(c2ccccc2)C(C(=O)OCC(c2ccccc2)c2ccccc2)C1 | 10.1021/jm980067l | ||
| 3158 | 56237 | 27 | None | -40 | 20 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 279 | 3 | 0 | 2 | 4.0 | CN(C)CCC=C1c2ccccc2COc2ccccc21 | nan | ||
| CHEMBL1628227 | 56237 | 27 | None | -40 | 20 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 279 | 3 | 0 | 2 | 4.0 | CN(C)CCC=C1c2ccccc2COc2ccccc21 | nan | ||
| 10595006 | 11413 | 0 | None | -10 | 5 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 365 | 7 | 0 | 4 | 4.0 | CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc(OC)cc2)C1 | 10.1021/jm980067l | ||
| CHEMBL1180343 | 11413 | 0 | None | -10 | 5 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 365 | 7 | 0 | 4 | 4.0 | CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc(OC)cc2)C1 | 10.1021/jm980067l | ||
| CHEMBL123099 | 11413 | 0 | None | -10 | 5 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 365 | 7 | 0 | 4 | 4.0 | CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc(OC)cc2)C1 | 10.1021/jm980067l | ||
| 10595006 | 11413 | 0 | None | -10 | 5 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 365 | 7 | 0 | 4 | 4.0 | CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc(OC)cc2)C1 | 10.1021/jm301774u | ||
| CHEMBL1180343 | 11413 | 0 | None | -10 | 5 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 365 | 7 | 0 | 4 | 4.0 | CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc(OC)cc2)C1 | 10.1021/jm301774u | ||
| CHEMBL123099 | 11413 | 0 | None | -10 | 5 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 365 | 7 | 0 | 4 | 4.0 | CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc(OC)cc2)C1 | 10.1021/jm301774u | ||
| 10757736 | 14472 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | 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 | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 315 | 4 | 0 | 3 | 4.0 | CCN1CC[C@@H](c2ccccc2)[C@@H](C(=O)OC2CCCCC2)C1 | 10.1021/jm980067l | ||
| 10851853 | 12156 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | 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 | 6.4 | pIC50 | = | 6.4 | 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 | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 301 | 7 | 0 | 3 | 3.9 | CCCCCOC(=O)C1=C(c2ccccc2)CCN(CC)C1 | 10.1021/jm980067l | ||
| 118719921 | 115748 | 0 | None | -1 | 5 | Human | 6.4 | pIC50 | = | 6.4 | 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 | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 537 | 12 | 0 | 7 | 5.3 | CN1CCC=C(c2nsnc2OCCCCCC2CCN(CCCN3C(=O)CCc4ccccc43)CC2)C1 | 10.1021/jm501173q | ||
| 135398737 | 955 | 93 | None | -7 | 92 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | ||
| 38 | 955 | 93 | None | -7 | 92 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | ||
| 722 | 955 | 93 | None | -7 | 92 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | ||
| CHEMBL42 | 955 | 93 | None | -7 | 92 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | ||
| DB00363 | 955 | 93 | None | -7 | 92 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | ||
| 657255 | 199061 | 34 | None | -9 | 15 | Human | 5.3 | pIC50 | = | 5.3 | 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 | -9 | 15 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 337 | 12 | 2 | 3 | 5.6 | CCCCCCCCN[C@H](C)[C@@H](O)c1ccc(SC(C)C)cc1 | nan | ||
| 44302776 | 102323 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | 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 | 6.3 | pIC50 | = | 6.3 | 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 | ||
| 10591874 | 13284 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 321 | 5 | 0 | 3 | 3.9 | CCN1CCC(c2ccccc2)=C(C(=O)OCc2ccccc2)C1 | 10.1021/jm980067l | ||
| CHEMBL1192001 | 13284 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 321 | 5 | 0 | 3 | 3.9 | CCN1CCC(c2ccccc2)=C(C(=O)OCc2ccccc2)C1 | 10.1021/jm980067l | ||
| CHEMBL543177 | 13284 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 321 | 5 | 0 | 3 | 3.9 | CCN1CCC(c2ccccc2)=C(C(=O)OCc2ccccc2)C1 | 10.1021/jm980067l | ||
| 44302793 | 199706 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | 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 | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 350 | 2 | 1 | 4 | 3.9 | COc1cc2c(cc1OC)C1Oc3ccc4[nH]c(C)cc4c3CN1CC2 | 10.1016/s0960-894x(98)00351-5 | ||
| 2230 | 464 | 60 | None | -218 | 10 | Human | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1021/jm9705216 | ||
| 296 | 464 | 60 | None | -218 | 10 | Human | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1021/jm9705216 | ||
| CHEMBL7303 | 464 | 60 | None | -218 | 10 | Human | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1021/jm9705216 | ||
| DB04365 | 464 | 60 | None | -218 | 10 | Human | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1021/jm9705216 | ||
| 10236758 | 115746 | 5 | None | -213 | 13 | Human | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 328 | 7 | 0 | 2 | 4.3 | CCCCC1CCN(CCCN2C(=O)CCc3ccccc32)CC1 | 10.1021/jm501173q | ||
| CHEMBL3354065 | 115746 | 5 | None | -213 | 13 | Human | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 328 | 7 | 0 | 2 | 4.3 | CCCCC1CCN(CCCN2C(=O)CCc3ccccc32)CC1 | 10.1021/jm501173q | ||
| 57396813 | 71516 | 0 | None | - | 5 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 403 | 5 | 1 | 6 | 3.2 | COc1cc(OC(C)C)cc(S(=O)(=O)c2ccc3c(c2)O[C@H]2CNCC[C@@H]32)c1 | 10.1016/j.bmcl.2011.12.026 | ||
| CHEMBL1949930 | 71516 | 0 | None | - | 5 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 403 | 5 | 1 | 6 | 3.2 | COc1cc(OC(C)C)cc(S(=O)(=O)c2ccc3c(c2)O[C@H]2CNCC[C@@H]32)c1 | 10.1016/j.bmcl.2011.12.026 | ||
| CHEMBL1963007 | 71516 | 0 | None | - | 5 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 403 | 5 | 1 | 6 | 3.2 | COc1cc(OC(C)C)cc(S(=O)(=O)c2ccc3c(c2)O[C@H]2CNCC[C@@H]32)c1 | 10.1016/j.bmcl.2011.12.026 | ||
| 1016 | 3720 | 78 | None | -12 | 35 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | ||
| 2561 | 3720 | 78 | None | -12 | 35 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | ||
| 2733526 | 3720 | 78 | None | -12 | 35 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | ||
| 5384 | 3720 | 78 | None | -12 | 35 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | ||
| CHEMBL83 | 3720 | 78 | None | -12 | 35 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | ||
| DB00675 | 3720 | 78 | None | -12 | 35 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | ||
| 10797864 | 26113 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 193 | 2 | 0 | 4 | 1.0 | CO/N=C(\C#N)C12CCCN(CC1)C2 | 10.1021/jm9702903 | ||
| CHEMBL135645 | 26113 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 193 | 2 | 0 | 4 | 1.0 | CO/N=C(\C#N)C12CCCN(CC1)C2 | 10.1021/jm9702903 | ||
| 10726038 | 119406 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 179 | 2 | 0 | 4 | 0.6 | CO/N=C(\C#N)C12CCN(CC1)C2 | 10.1021/jm9702903 | ||
| CHEMBL344892 | 119406 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 179 | 2 | 0 | 4 | 0.6 | CO/N=C(\C#N)C12CCN(CC1)C2 | 10.1021/jm9702903 | ||
| 656392 | 183776 | 3 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | 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 | 6.3 | pIC50 | = | 6.3 | 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 | ||
| 180 | 400 | 56 | None | -6 | 40 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | ||
| 200 | 400 | 56 | None | -6 | 40 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | ||
| 2160 | 400 | 56 | None | -6 | 40 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | ||
| CHEMBL629 | 400 | 56 | None | -6 | 40 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | ||
| DB00321 | 400 | 56 | None | -6 | 40 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | ||
| 11968014 | 12726 | 5 | None | -12 | 9 | Human | 8.3 | pIC50 | = | 8.3 | 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/acs.jmedchem.8b00265 | ||
| CHEMBL1187846 | 12726 | 5 | None | -12 | 9 | Human | 8.3 | pIC50 | = | 8.3 | 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/acs.jmedchem.8b00265 | ||
| 2745 | 3832 | 42 | None | -5 | 9 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | nan | ||
| 5572 | 3832 | 42 | None | -5 | 9 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | nan | ||
| 66007 | 3832 | 42 | None | -5 | 9 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | nan | ||
| 7315 | 3832 | 42 | None | -5 | 9 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | nan | ||
| CHEMBL1490 | 3832 | 42 | None | -5 | 9 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | nan | ||
| DB00376 | 3832 | 42 | None | -5 | 9 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | nan | ||
| 302 | 2956 | 25 | None | -7 | 8 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | 10.1021/jm9705216 | ||
| 4630 | 2956 | 25 | None | -7 | 8 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | 10.1021/jm9705216 | ||
| CHEMBL7634 | 2956 | 25 | None | -7 | 8 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | 10.1021/jm9705216 | ||
| 44302788 | 200599 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | 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 | 6.3 | pIC50 | = | 6.3 | 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 | ||
| 46891488 | 7141 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 328 | 4 | 2 | 2 | 3.7 | O=C(NCC1CCNCC1)c1ccccc1-c1cccc(Cl)c1 | 10.1016/j.bmcl.2010.04.128 | ||
| CHEMBL1085507 | 7141 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 328 | 4 | 2 | 2 | 3.7 | O=C(NCC1CCNCC1)c1ccccc1-c1cccc(Cl)c1 | 10.1016/j.bmcl.2010.04.128 | ||
| 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 | ||
| 10684720 | 12062 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | 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 | 6.3 | pIC50 | = | 6.3 | 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 | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 287 | 6 | 0 | 3 | 3.5 | CCCCOC(=O)C1=C(c2ccccc2)CCN(CC)C1 | 10.1021/jm980067l | ||
| 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 | ||
| 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 | ||
| 12488 | 1644 | 56 | None | -12 | 23 | Human | 5.3 | pIC50 | = | 5.3 | 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 | 5.3 | pIC50 | = | 5.3 | 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 | 5.3 | pIC50 | = | 5.3 | 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 | 5.3 | pIC50 | = | 5.3 | 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 | ||
| 10785471 | 113689 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | 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 | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 371 | 12 | 0 | 3 | 5.9 | CCCCCCCCCCOC(=O)C1=C(c2ccccc2)CCN(CC)C1 | 10.1021/jm980067l | ||
| 156493833 | 184883 | 2 | None | - | 0 | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 432 | 5 | 1 | 7 | 3.6 | Cn1cc2cc(-c3ccc(N[C@H]4C[C@@H]5CN(CC6CCOCC6)C[C@@H]5C4)nn3)ccc2n1 | 10.1021/acsmedchemlett.1c00363 | ||
| CHEMBL4853244 | 184883 | 2 | None | - | 0 | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 432 | 5 | 1 | 7 | 3.6 | Cn1cc2cc(-c3ccc(N[C@H]4C[C@@H]5CN(CC6CCOCC6)C[C@@H]5C4)nn3)ccc2n1 | 10.1021/acsmedchemlett.1c00363 | ||
| 10660 | 14384 | 58 | None | -2 | 12 | Human | 6.2 | pIC50 | = | 6.2 | 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 | -2 | 12 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 469 | 6 | 1 | 7 | 3.0 | CN(C)CCOC(c1ccccc1)c1ccccc1.Cn1c(=O)c2[nH]c(Cl)nc2n(C)c1=O | nan | ||
| 10686988 | 12157 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | 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 | 6.2 | pIC50 | = | 6.2 | 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 | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 317 | 8 | 0 | 3 | 4.2 | CCCCCCOC(=O)[C@H]1CN(CC)CC[C@H]1c1ccccc1 | 10.1021/jm980067l | ||
| 118719927 | 115755 | 0 | None | -3 | 8 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 386 | 11 | 1 | 3 | 4.4 | O=C1CCc2ccccc2N1CCCN1CCC(CCCCCCCO)CC1 | 10.1021/jm501173q | ||
| CHEMBL3354074 | 115755 | 0 | None | -3 | 8 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 386 | 11 | 1 | 3 | 4.4 | O=C1CCc2ccccc2N1CCCN1CCC(CCCCCCCO)CC1 | 10.1021/jm501173q | ||
| 118719928 | 115756 | 0 | None | 1 | 5 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 414 | 13 | 1 | 3 | 5.2 | O=C1CCc2ccccc2N1CCCN1CCC(CCCCCCCCCO)CC1 | 10.1021/jm501173q | ||
| CHEMBL3354075 | 115756 | 0 | None | 1 | 5 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 414 | 13 | 1 | 3 | 5.2 | O=C1CCc2ccccc2N1CCCN1CCC(CCCCCCCCCO)CC1 | 10.1021/jm501173q | ||
| 164612139 | 184651 | 0 | None | - | 0 | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 426 | 6 | 1 | 4 | 5.7 | c1ccc(CN2CCC(CCNc3cc4c(nn3)-c3ccccc3CCCC4)CC2)cc1 | 10.1021/acsmedchemlett.1c00363 | ||
| CHEMBL4849905 | 184651 | 0 | None | - | 0 | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 426 | 6 | 1 | 4 | 5.7 | c1ccc(CN2CCC(CCNc3cc4c(nn3)-c3ccccc3CCCC4)CC2)cc1 | 10.1021/acsmedchemlett.1c00363 | ||
| 2745 | 3832 | 42 | None | -5 | 9 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | 10.1016/s0960-894x(98)00351-5 | ||
| 5572 | 3832 | 42 | None | -5 | 9 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | 10.1016/s0960-894x(98)00351-5 | ||
| 66007 | 3832 | 42 | None | -5 | 9 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | 10.1016/s0960-894x(98)00351-5 | ||
| 7315 | 3832 | 42 | None | -5 | 9 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | 10.1016/s0960-894x(98)00351-5 | ||
| CHEMBL1490 | 3832 | 42 | None | -5 | 9 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | 10.1016/s0960-894x(98)00351-5 | ||
| DB00376 | 3832 | 42 | None | -5 | 9 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | 10.1016/s0960-894x(98)00351-5 | ||
| 44302727 | 101891 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | 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 | 5.2 | pIC50 | = | 5.2 | 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 | ||
| 10806268 | 12105 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | 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 | 6.2 | pIC50 | = | 6.2 | 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 | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 329 | 9 | 0 | 3 | 4.7 | CCCCCCCOC(=O)C1=C(c2ccccc2)CCN(CC)C1 | 10.1021/jm980067l | ||
| 4841 | 67397 | 5 | None | -1 | 5 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 368 | 7 | 1 | 3 | 3.5 | CC[N+]1(CCOC(=O)C(O)(c2ccccc2)c2ccccc2)CCCCC1 | nan | ||
| CHEMBL1889399 | 67397 | 5 | None | -1 | 5 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 368 | 7 | 1 | 3 | 3.5 | CC[N+]1(CCOC(=O)C(O)(c2ccccc2)c2ccccc2)CCCCC1 | nan | ||
| CHEMBL1909073 | 67397 | 5 | None | -1 | 5 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 368 | 7 | 1 | 3 | 3.5 | CC[N+]1(CCOC(=O)C(O)(c2ccccc2)c2ccccc2)CCCCC1 | nan | ||
| 10267601 | 12097 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 313 | 4 | 0 | 3 | 4.0 | CCN1CCC(c2ccccc2)=C(C(=O)OC2CCCCC2)C1 | 10.1021/jm980067l | ||
| CHEMBL1184116 | 12097 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 313 | 4 | 0 | 3 | 4.0 | CCN1CCC(c2ccccc2)=C(C(=O)OC2CCCCC2)C1 | 10.1021/jm980067l | ||
| CHEMBL332980 | 12097 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 313 | 4 | 0 | 3 | 4.0 | CCN1CCC(c2ccccc2)=C(C(=O)OC2CCCCC2)C1 | 10.1021/jm980067l | ||
| 118719921 | 115748 | 0 | None | -1 | 5 | Human | 6.2 | pIC50 | = | 6.2 | 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 | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 537 | 12 | 0 | 7 | 5.3 | CN1CCC=C(c2nsnc2OCCCCCC2CCN(CCCN3C(=O)CCc4ccccc43)CC2)C1 | 10.1021/jm501173q | ||
| 10782321 | 12092 | 0 | None | - | 0 | Human | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | 325 | 7 | 0 | 4 | 4.3 | CCCCCc1noc(C2CN(CC)CC=C2c2ccccc2)n1 | 10.1021/jm980067l | ||
| CHEMBL1184098 | 12092 | 0 | None | - | 0 | Human | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | 325 | 7 | 0 | 4 | 4.3 | CCCCCc1noc(C2CN(CC)CC=C2c2ccccc2)n1 | 10.1021/jm980067l | ||
| CHEMBL332405 | 12092 | 0 | None | - | 0 | Human | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | 325 | 7 | 0 | 4 | 4.3 | CCCCCc1noc(C2CN(CC)CC=C2c2ccccc2)n1 | 10.1021/jm980067l | ||
| 4212 | 198656 | 82 | None | -1 | 4 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 444 | 12 | 8 | 10 | -0.1 | O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21 | nan | ||
| CHEMBL1417019 | 198656 | 82 | None | -1 | 4 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 444 | 12 | 8 | 10 | -0.1 | O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21 | nan | ||
| CHEMBL58 | 198656 | 82 | None | -1 | 4 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 444 | 12 | 8 | 10 | -0.1 | O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21 | nan | ||
| 10755732 | 12089 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 287 | 6 | 0 | 3 | 3.4 | CCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 | 10.1021/jm980067l | ||
| CHEMBL1184092 | 12089 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 287 | 6 | 0 | 3 | 3.4 | CCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 | 10.1021/jm980067l | ||
| CHEMBL332181 | 12089 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 287 | 6 | 0 | 3 | 3.4 | CCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 | 10.1021/jm980067l | ||
| 9974222 | 11889 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 335 | 6 | 0 | 3 | 4.0 | CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccccc2)C1 | 10.1021/jm980067l | ||
| CHEMBL1182709 | 11889 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 335 | 6 | 0 | 3 | 4.0 | CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccccc2)C1 | 10.1021/jm980067l | ||
| CHEMBL262198 | 11889 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 335 | 6 | 0 | 3 | 4.0 | CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccccc2)C1 | 10.1021/jm980067l | ||
| 2286 | 3161 | 51 | None | 1 | 30 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | ||
| 4927 | 3161 | 51 | None | 1 | 30 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | ||
| 7282 | 3161 | 51 | None | 1 | 30 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | ||
| CHEMBL643 | 3161 | 51 | None | 1 | 30 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | ||
| DB01069 | 3161 | 51 | None | 1 | 30 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | ||
| 10638050 | 11383 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 301 | 7 | 0 | 3 | 3.8 | CCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 | 10.1021/jm980067l | ||
| CHEMBL116601 | 11383 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 301 | 7 | 0 | 3 | 3.8 | CCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 | 10.1021/jm980067l | ||
| CHEMBL1180202 | 11383 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 301 | 7 | 0 | 3 | 3.8 | CCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 | 10.1021/jm980067l | ||
| 2551 | 791 | 23 | None | -21 | 11 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm9702903 | ||
| 298 | 791 | 23 | None | -21 | 11 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm9702903 | ||
| 488 | 791 | 23 | None | -21 | 11 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm9702903 | ||
| CHEMBL965 | 791 | 23 | None | -21 | 11 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm9702903 | ||
| DB00411 | 791 | 23 | None | -21 | 11 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm9702903 | ||
| 49853884 | 90654 | 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 | ||
| CHEMBL2391353 | 90654 | 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 | ||
| 10755733 | 11396 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | 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 | 6.1 | pIC50 | = | 6.1 | 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 | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 287 | 5 | 0 | 3 | 3.4 | CCN1CCC(c2ccccc2)=C(C(=O)OCC(C)C)C1 | 10.1021/jm980067l | ||
| 10761219 | 11399 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | 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 | 5.1 | pIC50 | = | 5.1 | 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 | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 363 | 8 | 0 | 3 | 4.6 | CCN1CC=C(c2ccccc2)C(C(=O)OCCCCc2ccccc2)C1 | 10.1021/jm980067l | ||
| 10236758 | 115746 | 5 | None | -213 | 13 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 328 | 7 | 0 | 2 | 4.3 | CCCCC1CCN(CCCN2C(=O)CCc3ccccc32)CC1 | 10.1021/jm501173q | ||
| CHEMBL3354065 | 115746 | 5 | None | -213 | 13 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 328 | 7 | 0 | 2 | 4.3 | CCCCC1CCN(CCCN2C(=O)CCc3ccccc32)CC1 | 10.1021/jm501173q | ||
| 10573693 | 11398 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | 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 | 5.1 | pIC50 | = | 5.1 | 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 | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 411 | 7 | 0 | 3 | 5.5 | CCN1CCC(c2ccccc2)=C(C(=O)OCC(c2ccccc2)c2ccccc2)C1 | 10.1021/jm980067l | ||
| 10852843 | 11892 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | 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 | 5.1 | pIC50 | = | 5.1 | 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 | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 315 | 4 | 0 | 3 | 4.0 | CCN1CC[C@@H](c2ccccc2)[C@H](C(=O)OC2CCCCC2)C1 | 10.1021/jm980067l | ||
| 118719927 | 115755 | 0 | None | -3 | 8 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 386 | 11 | 1 | 3 | 4.4 | O=C1CCc2ccccc2N1CCCN1CCC(CCCCCCCO)CC1 | 10.1021/jm501173q | ||
| CHEMBL3354074 | 115755 | 0 | None | -3 | 8 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 386 | 11 | 1 | 3 | 4.4 | O=C1CCc2ccccc2N1CCCN1CCC(CCCCCCCO)CC1 | 10.1021/jm501173q | ||
| 46891076 | 6676 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | 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 | 5.1 | pIC50 | = | 5.1 | 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 | ||
| 100 | 3776 | 58 | None | -14 | 56 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | ||
| 2637 | 3776 | 58 | None | -14 | 56 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | ||
| 5452 | 3776 | 58 | None | -14 | 56 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | ||
| CHEMBL479 | 3776 | 58 | None | -14 | 56 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | ||
| DB00679 | 3776 | 58 | None | -14 | 56 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | ||
| 10487582 | 28198 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 179 | 2 | 0 | 4 | 0.5 | CO/N=C(\C#N)[C@H]1CN2CC[C@H]1C2 | 10.1021/jm9702903 | ||
| CHEMBL137384 | 28198 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 179 | 2 | 0 | 4 | 0.5 | CO/N=C(\C#N)[C@H]1CN2CC[C@H]1C2 | 10.1021/jm9702903 | ||
| 44356367 | 118466 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 266 | 3 | 0 | 2 | 2.2 | C[N+](C)(C)CC#CCOC(=O)c1cccc(Cl)c1 | 10.1021/jm9702903 | ||
| CHEMBL341447 | 118466 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 266 | 3 | 0 | 2 | 2.2 | C[N+](C)(C)CC#CCOC(=O)c1cccc(Cl)c1 | 10.1021/jm9702903 | ||
| 118719928 | 115756 | 0 | None | 1 | 5 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 414 | 13 | 1 | 3 | 5.2 | O=C1CCc2ccccc2N1CCCN1CCC(CCCCCCCCCO)CC1 | 10.1021/jm501173q | ||
| CHEMBL3354075 | 115756 | 0 | None | 1 | 5 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 414 | 13 | 1 | 3 | 5.2 | O=C1CCc2ccccc2N1CCCN1CCC(CCCCCCCCCO)CC1 | 10.1021/jm501173q | ||
| 10688349 | 12104 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | 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 | 5.1 | pIC50 | = | 5.1 | 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 | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 337 | 6 | 0 | 3 | 3.9 | CCN1CC[C@@H](c2ccccc2)[C@@H](C(=O)OCCc2ccccc2)C1 | 10.1021/jm980067l | ||
| 3191 | 102831 | 97 | None | -5 | 25 | Human | 6.1 | pIC50 | = | 6.1 | 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 | -5 | 25 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 469 | 9 | 0 | 3 | 7.2 | CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 | nan | ||
| 10521205 | 11397 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | 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 | 6.1 | pIC50 | = | 6.1 | 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 | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 341 | 6 | 0 | 3 | 4.5 | CCN1CC=C(c2ccccc2)C(C(=O)OCCC2CCCCC2)C1 | 10.1021/jm980067l | ||
| 10829928 | 12370 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | 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 | 5.1 | pIC50 | = | 5.1 | 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 | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 325 | 7 | 0 | 4 | 4.4 | CCCCCc1noc(C2=C(c3ccccc3)CCN(CC)C2)n1 | 10.1021/jm980067l | ||
| 10614695 | 12125 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 307 | 4 | 0 | 3 | 3.8 | CCN1CCC(c2ccccc2)=C(C(=O)Oc2ccccc2)C1 | 10.1021/jm980067l | ||
| CHEMBL1184188 | 12125 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 307 | 4 | 0 | 3 | 3.8 | CCN1CCC(c2ccccc2)=C(C(=O)Oc2ccccc2)C1 | 10.1021/jm980067l | ||
| CHEMBL338280 | 12125 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 307 | 4 | 0 | 3 | 3.8 | CCN1CCC(c2ccccc2)=C(C(=O)Oc2ccccc2)C1 | 10.1021/jm980067l | ||
| 137640201 | 156937 | 2 | None | -575 | 13 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 362 | 6 | 0 | 2 | 4.3 | O=C1CCc2ccccc2N1CCCN1CCC(Cc2ccccc2)CC1 | 10.1021/acs.jmedchem.8b00265 | ||
| CHEMBL4072818 | 156937 | 2 | None | -575 | 13 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 362 | 6 | 0 | 2 | 4.3 | O=C1CCc2ccccc2N1CCCN1CCC(Cc2ccccc2)CC1 | 10.1021/acs.jmedchem.8b00265 | ||
| 6726 | 1269 | 51 | None | -5 | 13 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
| 7151 | 1269 | 51 | None | -5 | 13 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
| 749 | 1269 | 51 | None | -5 | 13 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
| CHEMBL648 | 1269 | 51 | None | -5 | 13 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
| DB01176 | 1269 | 51 | None | -5 | 13 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
| 10827157 | 11405 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | 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 | 6.1 | pIC50 | = | 6.1 | 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 | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 287 | 5 | 0 | 3 | 3.2 | CCN1CC=C(c2ccccc2)C(C(=O)OCC(C)C)C1 | 10.1021/jm980067l | ||
| 306 | 3430 | 21 | None | -2 | 5 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 193 | 2 | 0 | 4 | 0.9 | CO/N=C(/[C@H]1CN2CCC1CC2)\C#N | 10.1021/jm9702903 | ||
| 3536 | 3430 | 21 | None | -2 | 5 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 193 | 2 | 0 | 4 | 0.9 | CO/N=C(/[C@H]1CN2CCC1CC2)\C#N | 10.1021/jm9702903 | ||
| 53930639 | 3430 | 21 | None | -2 | 5 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 193 | 2 | 0 | 4 | 0.9 | CO/N=C(/[C@H]1CN2CCC1CC2)\C#N | 10.1021/jm9702903 | ||
| 9577995 | 3430 | 21 | None | -2 | 5 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 193 | 2 | 0 | 4 | 0.9 | CO/N=C(/[C@H]1CN2CCC1CC2)\C#N | 10.1021/jm9702903 | ||
| CHEMBL134641 | 3430 | 21 | None | -2 | 5 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 193 | 2 | 0 | 4 | 0.9 | CO/N=C(/[C@H]1CN2CCC1CC2)\C#N | 10.1021/jm9702903 | ||
| 11498 | 2997 | 41 | None | 38 | 6 | Human | 7.0 | pIC50 | = | 7.0 | 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 | 38 | 6 | Human | 7.0 | pIC50 | = | 7.0 | 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 | 38 | 6 | Human | 7.0 | pIC50 | = | 7.0 | 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 | ||
| 2398 | 951 | 62 | None | -1 | 29 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | nan | ||
| 2801 | 951 | 62 | None | -1 | 29 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | nan | ||
| 701 | 951 | 62 | None | -1 | 29 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | nan | ||
| CHEMBL415 | 951 | 62 | None | -1 | 29 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | nan | ||
| DB01242 | 951 | 62 | None | -1 | 29 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | nan | ||
| 10248541 | 182875 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 369 | 15 | 7 | 4 | 0.5 | CC(=O)NC(CCCNC(=N)N)C(=O)CCCCCCCCNC(=N)N | 10.1021/np50120a004 | ||
| CHEMBL479224 | 182875 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 369 | 15 | 7 | 4 | 0.5 | CC(=O)NC(CCCNC(=N)N)C(=O)CCCCCCCCNC(=N)N | 10.1021/np50120a004 | ||
| 1971 | 2846 | 38 | None | -3 | 30 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | nan | ||
| 2404 | 2846 | 38 | None | -3 | 30 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | nan | ||
| 4543 | 2846 | 38 | None | -3 | 30 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | nan | ||
| CHEMBL445 | 2846 | 38 | None | -3 | 30 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | nan | ||
| DB00540 | 2846 | 38 | None | -3 | 30 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | nan | ||
| 11793999 | 12083 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 377 | 9 | 0 | 3 | 5.1 | CCN1CCC(c2ccccc2)=C(C(=O)OCCCCCc2ccccc2)C1 | 10.1021/jm980067l | ||
| CHEMBL1184074 | 12083 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 377 | 9 | 0 | 3 | 5.1 | CCN1CCC(c2ccccc2)=C(C(=O)OCCCCCc2ccccc2)C1 | 10.1021/jm980067l | ||
| CHEMBL331516 | 12083 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 377 | 9 | 0 | 3 | 5.1 | CCN1CCC(c2ccccc2)=C(C(=O)OCCCCCc2ccccc2)C1 | 10.1021/jm980067l | ||
| 101882890 | 115750 | 0 | None | -1 | 5 | Human | 4.0 | pIC50 | = | 4.0 | Binding | ChEMBL | 593 | 16 | 0 | 7 | 6.8 | CN1CCC=C(c2nsnc2OCCCCCCCCCC2CCN(CCCN3C(=O)CCc4ccccc43)CC2)C1 | 10.1021/jm501173q | ||
| CHEMBL3354069 | 115750 | 0 | None | -1 | 5 | Human | 4.0 | pIC50 | = | 4.0 | Binding | ChEMBL | 593 | 16 | 0 | 7 | 6.8 | CN1CCC=C(c2nsnc2OCCCCCCCCCC2CCN(CCCN3C(=O)CCc4ccccc43)CC2)C1 | 10.1021/jm501173q | ||
| 164612139 | 184651 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 426 | 6 | 1 | 4 | 5.7 | c1ccc(CN2CCC(CCNc3cc4c(nn3)-c3ccccc3CCCC4)CC2)cc1 | 10.1021/acsmedchemlett.1c00363 | ||
| CHEMBL4849905 | 184651 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 426 | 6 | 1 | 4 | 5.7 | c1ccc(CN2CCC(CCNc3cc4c(nn3)-c3ccccc3CCCC4)CC2)cc1 | 10.1021/acsmedchemlett.1c00363 | ||
| 44302901 | 101029 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | 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 | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 320 | 1 | 1 | 3 | 3.9 | COc1ccc2c(c1)CCN1Cc3c(ccc4[nH]c(C)cc34)OC21 | 10.1016/s0960-894x(98)00351-5 | ||
| 10511551 | 25799 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 179 | 2 | 0 | 4 | 0.5 | CO/N=C(\C#N)[C@@H]1CN2CC[C@H]1C2 | 10.1021/jm9702903 | ||
| CHEMBL135328 | 25799 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 179 | 2 | 0 | 4 | 0.5 | CO/N=C(\C#N)[C@@H]1CN2CC[C@H]1C2 | 10.1021/jm9702903 | ||
| 44302879 | 202695 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | 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 | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 348 | 1 | 1 | 4 | 3.7 | COC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2ccccc2C1O3 | 10.1016/s0960-894x(98)00351-5 | ||
| 164612037 | 185353 | 0 | None | 1 | 20 | Human | 10.3 | pKd | = | 10.3 | 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 | 1 | 20 | Human | 10.3 | pKd | = | 10.3 | 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 | -3 | 20 | Human | 10.3 | pKd | = | 10.3 | 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 | -3 | 20 | Human | 10.3 | pKd | = | 10.3 | 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 | -3 | 20 | Human | 10.3 | pKd | = | 10.3 | 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 | 1 | 20 | Human | 10.3 | pKd | = | 10.3 | 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 | 1 | 20 | Human | 10.3 | pKd | = | 10.3 | 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 | 1 | 20 | Human | 10.3 | pKd | = | 10.3 | 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 | 1 | 20 | Human | 10.3 | pKd | = | 10.3 | 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 | 1 | 20 | Human | 10.3 | pKd | = | 10.3 | 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 | 1 | 20 | Human | 10.3 | pKd | = | 10.3 | Binding | ChEMBL | 333 | 6 | 4 | 5 | 0.9 | N/C(=N\C(=O)NCc1ccccc1)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| 10365181 | 18525 | 0 | None | 1 | 3 | Rat | 9.5 | pKd | = | 9.5 | Binding | ChEMBL | 427 | 5 | 1 | 4 | 2.9 | O=C(O[C@H]1CN2CCC1CC2)[C@@](O)(C/C=C/I)c1ccccc1 | 10.1021/jm00020a004 | ||
| CHEMBL127587 | 18525 | 0 | None | 1 | 3 | Rat | 9.5 | pKd | = | 9.5 | Binding | ChEMBL | 427 | 5 | 1 | 4 | 2.9 | O=C(O[C@H]1CN2CCC1CC2)[C@@](O)(C/C=C/I)c1ccccc1 | 10.1021/jm00020a004 | ||
| 137630050 | 161016 | 0 | None | -1 | 5 | Human | 9.2 | pKd | = | 9.2 | 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 | -1 | 5 | Human | 9.2 | pKd | = | 9.2 | 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 | -1 | 5 | Human | 9.2 | pKd | = | 9.2 | 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 | -1 | 5 | Human | 9.2 | pKd | = | 9.2 | 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 | ||
| 10365181 | 18525 | 0 | None | 1 | 3 | Rat | 8.6 | pKd | = | 8.6 | Binding | ChEMBL | 427 | 5 | 1 | 4 | 2.9 | O=C(O[C@H]1CN2CCC1CC2)[C@@](O)(C/C=C/I)c1ccccc1 | 10.1021/jm00020a004 | ||
| CHEMBL127587 | 18525 | 0 | None | 1 | 3 | Rat | 8.6 | pKd | = | 8.6 | Binding | ChEMBL | 427 | 5 | 1 | 4 | 2.9 | O=C(O[C@H]1CN2CCC1CC2)[C@@](O)(C/C=C/I)c1ccccc1 | 10.1021/jm00020a004 | ||
| 156015807 | 178275 | 0 | None | -3 | 5 | Human | 8.0 | pKd | = | 8.0 | 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 | -3 | 5 | Human | 8.0 | pKd | = | 8.0 | 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 | -3 | 5 | Human | 8.0 | pKd | = | 8.0 | 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 | ||
| 10274019 | 204228 | 0 | None | 1 | 5 | Human | 10.2 | pKi | = | 10.2 | 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 | 1 | 5 | Human | 10.2 | pKi | = | 10.2 | 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 | ||
| 71452756 | 79512 | 0 | None | -2 | 4 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 423 | 6 | 0 | 3 | 5.9 | C=C(c1ccc([S@@+]([O-])c2ccc(OC)cc2)cc1)C1CCN(C2CCCCC2)CC1 | 10.1016/s0960-894x(00)00437-6 | ||
| CHEMBL2114068 | 79512 | 0 | None | -2 | 4 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 423 | 6 | 0 | 3 | 5.9 | C=C(c1ccc([S@@+]([O-])c2ccc(OC)cc2)cc1)C1CCN(C2CCCCC2)CC1 | 10.1016/s0960-894x(00)00437-6 | ||
| 49800047 | 14451 | 1 | None | 1 | 5 | Human | 10.0 | pKi | = | 10.0 | 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 | 1 | 5 | Human | 10.0 | pKi | = | 10.0 | 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 | 1 | 5 | Human | 10.0 | pKi | = | 10.0 | 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 | ||
| 174174 | 521 | 49 | None | -2 | 14 | Human | 10.0 | pKi | = | 10.0 | 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 | 10.0 | pKi | = | 10.0 | 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 | 10.0 | pKi | = | 10.0 | 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 | 10.0 | pKi | = | 10.0 | 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 | 10.0 | pKi | = | 10.0 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | nan | ||
| 16065403 | 67906 | 23 | None | -1 | 5 | Human | 9.9 | pKi | = | 9.9 | 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 | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 444 | 9 | 2 | 4 | 4.5 | CC(C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)N1CC(Oc2cccc(O)c2)C1 | 10.1021/jm200884j | ||
| 316 | 2816 | 19 | None | -9 | 9 | Human | 9.9 | pKi | = | 9.9 | 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 | 9.9 | pKi | = | 9.9 | 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 | 9.9 | pKi | = | 9.9 | 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 | 9.9 | pKi | = | 9.9 | 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 | 9.9 | pKi | = | 9.9 | 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 | 9.9 | pKi | = | 9.9 | 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 | 9.9 | pKi | = | 9.9 | 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 | 9.9 | pKi | = | 9.9 | 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 | 9.9 | pKi | = | 9.9 | 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 | 9.9 | pKi | = | 9.9 | 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 | 9.9 | pKi | = | 9.9 | 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 | 9.9 | pKi | = | 9.9 | 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 | 9.9 | pKi | = | 9.9 | 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 | 9.9 | pKi | = | 9.9 | 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 | 9.9 | pKi | = | 9.9 | 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 | 9.9 | pKi | = | 9.9 | 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 | 9.9 | pKi | = | 9.9 | 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 | 9.9 | pKi | = | 9.9 | 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 | ||
| 2028 | 2958 | 80 | None | -1 | 11 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | nan | ||
| 359 | 2958 | 80 | None | -1 | 11 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | nan | ||
| 4634 | 2958 | 80 | None | -1 | 11 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | nan | ||
| CHEMBL1231 | 2958 | 80 | None | -1 | 11 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | nan | ||
| DB01062 | 2958 | 80 | None | -1 | 11 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | nan | ||
| 71454563 | 79627 | 0 | None | -5 | 4 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 423 | 6 | 0 | 3 | 5.9 | C=C(c1ccc([S@+]([O-])c2ccc(OC)cc2)cc1)C1CCN(C2CCCCC2)CC1 | 10.1016/s0960-894x(00)00437-6 | ||
| CHEMBL2115128 | 79627 | 0 | None | -5 | 4 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 423 | 6 | 0 | 3 | 5.9 | C=C(c1ccc([S@+]([O-])c2ccc(OC)cc2)cc1)C1CCN(C2CCCCC2)CC1 | 10.1016/s0960-894x(00)00437-6 | ||
| 9867847 | 204235 | 0 | None | -1 | 4 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 439 | 6 | 0 | 4 | 5.6 | C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCCCC2)CC1 | 10.1016/s0960-894x(00)00437-6 | ||
| CHEMBL71147 | 204235 | 0 | None | -1 | 4 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 439 | 6 | 0 | 4 | 5.6 | C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCCCC2)CC1 | 10.1016/s0960-894x(00)00437-6 | ||
| 1201549 | 594 | 24 | None | -1 | 20 | Human | 9.5 | pKi | = | 9.5 | 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 | -1 | 20 | Human | 9.5 | pKi | = | 9.5 | 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 | -1 | 20 | Human | 9.5 | pKi | = | 9.5 | 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 | -1 | 20 | Human | 9.5 | pKi | = | 9.5 | 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 | -1 | 20 | Human | 9.5 | pKi | = | 9.5 | 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 | -1 | 20 | Human | 9.5 | pKi | = | 9.5 | 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 | 9.5 | pKi | = | 9.5 | 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 | 9.5 | pKi | = | 9.5 | 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 | 9.5 | pKi | = | 9.5 | 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 | 9.5 | pKi | = | 9.5 | 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 | 9.5 | pKi | = | 9.5 | 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 | ||
| 44610056 | 123965 | 0 | None | -2 | 5 | Human | 9.5 | pKi | = | 9.5 | 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 | -2 | 5 | Human | 9.5 | pKi | = | 9.5 | 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 | ||
| 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 | 10.1016/j.ejmech.2013.01.044 | ||
| 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 | 10.1016/j.ejmech.2013.01.044 | ||
| 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 | 10.1016/j.ejmech.2013.01.044 | ||
| 25897919 | 55622 | 14 | None | -3 | 8 | Human | 9.4 | pKi | = | 9.4 | 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 | -3 | 8 | Human | 9.4 | pKi | = | 9.4 | 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 | -3 | 8 | Human | 9.4 | pKi | = | 9.4 | 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 | -3 | 8 | Human | 9.4 | pKi | = | 9.4 | 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 | ||
| 3042 | 1402 | 35 | None | -1 | 15 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | nan | ||
| 355 | 1402 | 35 | None | -1 | 15 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | nan | ||
| 868 | 1402 | 35 | None | -1 | 15 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | nan | ||
| CHEMBL1123 | 1402 | 35 | None | -1 | 15 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | nan | ||
| DB00804 | 1402 | 35 | None | -1 | 15 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | nan | ||
| 162645520 | 183604 | 0 | None | 1 | 5 | Human | 9.4 | pKi | = | 9.4 | 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 | 1 | 5 | Human | 9.4 | pKi | = | 9.4 | 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 | 1 | 5 | Human | 9.4 | pKi | = | 9.4 | 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 | ||
| 156014450 | 178227 | 0 | None | -2 | 5 | Human | 9.4 | pKi | = | 9.4 | 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 | -2 | 5 | Human | 9.4 | pKi | = | 9.4 | 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 | -2 | 5 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 518 | 9 | 2 | 6 | 3.4 | NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.9b02172 | ||
| 16116083 | 12264 | 0 | None | -1 | 5 | Human | 9.3 | pKi | = | 9.3 | 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 | 9.3 | pKi | = | 9.3 | 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 | 9.3 | pKi | = | 9.3 | 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 | ||
| 137630050 | 161016 | 0 | None | -1 | 5 | Human | 9.3 | pKi | = | 9.3 | 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 | -1 | 5 | Human | 9.3 | pKi | = | 9.3 | 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 | -1 | 5 | Human | 9.3 | pKi | = | 9.3 | 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 | -1 | 5 | Human | 9.3 | pKi | = | 9.3 | 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 | ||
| 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 | 10.1016/0960-894X(95)00403-G | ||
| 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 | 10.1016/0960-894X(95)00403-G | ||
| 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 | 10.1016/0960-894X(95)00403-G | ||
| 1734 | 116 | 10 | None | -3 | 13 | Rat | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | 10.1016/0960-894X(95)00113-8 | ||
| 307 | 116 | 10 | None | -3 | 13 | Rat | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | 10.1016/0960-894X(95)00113-8 | ||
| CHEMBL168067 | 116 | 10 | None | -3 | 13 | Rat | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | 10.1016/0960-894X(95)00113-8 | ||
| 174174 | 521 | 49 | None | 1 | 14 | Rat | 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 | 10.1038/nchembio.2007.55 | ||
| 260 | 521 | 49 | None | 1 | 14 | Rat | 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 | 10.1038/nchembio.2007.55 | ||
| 320 | 521 | 49 | None | 1 | 14 | Rat | 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 | 10.1038/nchembio.2007.55 | ||
| CHEMBL517712 | 521 | 49 | None | 1 | 14 | Rat | 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 | 10.1038/nchembio.2007.55 | ||
| DB00572 | 521 | 49 | None | 1 | 14 | Rat | 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 | 10.1038/nchembio.2007.55 | ||
| CHEMBL5289601 | 194449 | 0 | None | 1 | 5 | Human | 9.3 | pKi | = | 9.3 | 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 | ||
| 154417 | 93231 | 60 | None | -2 | 9 | Rat | 9.3 | pKi | = | 9.3 | 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 | -2 | 9 | Rat | 9.3 | pKi | = | 9.3 | 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 | ||
| 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.2017.05.042 | ||
| 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.2017.05.042 | ||
| 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.2017.05.042 | ||
| 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.2017.05.042 | ||
| 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.2017.05.042 | ||
| 1734 | 116 | 10 | None | -1 | 13 | Human | 9.2 | pKi | = | 9.2 | 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 | 9.2 | pKi | = | 9.2 | 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 | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | 10.1021/jm8007618 | ||
| 164611189 | 188447 | 0 | None | -3 | 3 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 944 | 24 | 11 | 12 | 0.6 | CC(=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4851514 | 188447 | 0 | None | -3 | 3 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 944 | 24 | 11 | 12 | 0.6 | CC(=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028061 | 188447 | 0 | None | -3 | 3 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 944 | 24 | 11 | 12 | 0.6 | CC(=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 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 | ||
| 16115947 | 11817 | 0 | None | -1 | 5 | Human | 9.2 | pKi | = | 9.2 | 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 | 9.2 | pKi | = | 9.2 | 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 | 9.2 | pKi | = | 9.2 | 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 | ||
| 164625454 | 188567 | 0 | None | -3 | 3 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 1001 | 26 | 12 | 13 | -0.3 | CC(=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4862735 | 188567 | 0 | None | -3 | 3 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 1001 | 26 | 12 | 13 | -0.3 | CC(=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028885 | 188567 | 0 | None | -3 | 3 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 1001 | 26 | 12 | 13 | -0.3 | CC(=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 180 | 400 | 56 | None | -6 | 40 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | ||
| 200 | 400 | 56 | None | -6 | 40 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | ||
| 2160 | 400 | 56 | None | -6 | 40 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | ||
| CHEMBL629 | 400 | 56 | None | -6 | 40 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | ||
| DB00321 | 400 | 56 | None | -6 | 40 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | ||
| 164612662 | 188458 | 0 | None | -2 | 3 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 845 | 20 | 8 | 11 | 0.9 | CC(=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4847898 | 188458 | 0 | None | -2 | 3 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 845 | 20 | 8 | 11 | 0.9 | CC(=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028154 | 188458 | 0 | None | -2 | 3 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 845 | 20 | 8 | 11 | 0.9 | CC(=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 2745 | 3832 | 42 | None | -5 | 9 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | nan | ||
| 5572 | 3832 | 42 | None | -5 | 9 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | nan | ||
| 66007 | 3832 | 42 | None | -5 | 9 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | nan | ||
| 7315 | 3832 | 42 | None | -5 | 9 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | nan | ||
| CHEMBL1490 | 3832 | 42 | None | -5 | 9 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | nan | ||
| DB00376 | 3832 | 42 | None | -5 | 9 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | nan | ||
| 9936450 | 35125 | 0 | None | 1 | 5 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 518 | 14 | 0 | 10 | 5.0 | CN1CCC=C(c2nsnc2OCCCCCCCCCOc2nsnc2C2=CCCN(C)C2)C1 | 10.1021/jm501173q | ||
| CHEMBL143469 | 35125 | 0 | None | 1 | 5 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 518 | 14 | 0 | 10 | 5.0 | CN1CCC=C(c2nsnc2OCCCCCCCCCOc2nsnc2C2=CCCN(C)C2)C1 | 10.1021/jm501173q | ||
| 164622681 | 188538 | 0 | None | -7 | 3 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 674 | 15 | 6 | 8 | 2.1 | N=C(N)NCCC[C@H](N)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4864727 | 188538 | 0 | None | -7 | 3 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 674 | 15 | 6 | 8 | 2.1 | N=C(N)NCCC[C@H](N)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028712 | 188538 | 0 | None | -7 | 3 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 674 | 15 | 6 | 8 | 2.1 | N=C(N)NCCC[C@H](N)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 156014269 | 177192 | 0 | None | -1 | 5 | Human | 9.1 | pKi | = | 9.1 | 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 | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 303 | 4 | 0 | 3 | 3.4 | CN(C)C[C@H]1COC[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL5289667 | 194452 | 0 | None | -1 | 5 | Human | 9.1 | pKi | = | 9.1 | 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 | ||
| CHEMBL5271406 | 193657 | 0 | None | 3 | 5 | Human | 9.1 | pKi | = | 9.1 | 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 | ||
| 16116085 | 11814 | 0 | None | -8 | 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 | ||
| CHEMBL1182201 | 11814 | 0 | None | -8 | 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 | ||
| CHEMBL219786 | 11814 | 0 | None | -8 | 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 | ||
| 16115945 | 12265 | 0 | None | -4 | 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 | ||
| CHEMBL1184886 | 12265 | 0 | None | -4 | 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 | ||
| CHEMBL376057 | 12265 | 0 | None | -4 | 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 | ||
| 1734 | 116 | 10 | None | -1 | 13 | Human | 9.1 | pKi | = | 9.1 | 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 | 9.1 | pKi | = | 9.1 | 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 | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | 10.1021/jm401895u | ||
| 118719922 | 115749 | 0 | None | -1 | 5 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 565 | 14 | 0 | 7 | 6.1 | CN1CCC=C(c2nsnc2OCCCCCCCC2CCN(CCCN3C(=O)CCc4ccccc43)CC2)C1 | 10.1021/jm501173q | ||
| CHEMBL3354068 | 115749 | 0 | None | -1 | 5 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 565 | 14 | 0 | 7 | 6.1 | CN1CCC=C(c2nsnc2OCCCCCCCC2CCN(CCCN3C(=O)CCc4ccccc43)CC2)C1 | 10.1021/jm501173q | ||
| CHEMBL5273907 | 193761 | 0 | None | 2 | 5 | Human | 9.1 | pKi | = | 9.1 | 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 | ||
| 155521894 | 176401 | 0 | None | -11 | 5 | Human | 9.0 | pKi | = | 9.0 | 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 | -11 | 5 | Human | 9.0 | pKi | = | 9.0 | 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 | -11 | 5 | Human | 9.0 | pKi | = | 9.0 | 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 | ||
| 75167447 | 178262 | 0 | None | -1 | 5 | Human | 9.0 | pKi | = | 9.0 | 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 | -1 | 5 | Human | 9.0 | pKi | = | 9.0 | 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 | -1 | 5 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 318 | 4 | 0 | 2 | 3.6 | C[N+](C)(C)CC1COCC(c2ccccc2)(C2CCCCC2)O1 | 10.1021/acs.jmedchem.9b02100 | ||
| 162677523 | 183650 | 0 | None | -1 | 5 | Human | 9.0 | pKi | = | 9.0 | 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 | -1 | 5 | Human | 9.0 | pKi | = | 9.0 | 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 | -1 | 5 | Human | 9.0 | pKi | = | 9.0 | 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 | ||
| 10160073 | 111162 | 0 | None | 151 | 5 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 434 | 6 | 1 | 5 | 5.1 | CCCCc1[nH]c2ccc3c(c2c1C(=O)OCC)CN1CCc2cc(OC)ccc2C1O3 | 10.1021/jm301774u | ||
| CHEMBL326450 | 111162 | 0 | None | 151 | 5 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 434 | 6 | 1 | 5 | 5.1 | CCCCc1[nH]c2ccc3c(c2c1C(=O)OCC)CN1CCc2cc(OC)ccc2C1O3 | 10.1021/jm301774u | ||
| 16115797 | 138130 | 0 | None | -2 | 5 | Human | 9.0 | pKi | = | 9 | 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 | -2 | 5 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 331 | 3 | 0 | 3 | 4.6 | CN1CCC[C@@H]1[C@@H]1CS[C@](c2ccccc2)(C2CCCCC2)O1 | 10.1021/jm061374r | ||
| 10160219 | 4898 | 0 | None | 100 | 5 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 436 | 5 | 1 | 5 | 5.5 | CCCc1[nH]c2ccc3c(c2c1C(=O)OCC)CN1CCc2cc(SC)ccc2C1O3 | 10.1021/jm011116o | ||
| CHEMBL104693 | 4898 | 0 | None | 100 | 5 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 436 | 5 | 1 | 5 | 5.5 | CCCc1[nH]c2ccc3c(c2c1C(=O)OCC)CN1CCc2cc(SC)ccc2C1O3 | 10.1021/jm011116o | ||
| 10160073 | 111162 | 0 | None | 151 | 5 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 434 | 6 | 1 | 5 | 5.1 | CCCCc1[nH]c2ccc3c(c2c1C(=O)OCC)CN1CCc2cc(OC)ccc2C1O3 | 10.1021/jm011116o | ||
| CHEMBL326450 | 111162 | 0 | None | 151 | 5 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 434 | 6 | 1 | 5 | 5.1 | CCCCc1[nH]c2ccc3c(c2c1C(=O)OCC)CN1CCc2cc(OC)ccc2C1O3 | 10.1021/jm011116o | ||
| 2286 | 3161 | 51 | None | 1 | 30 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | ||
| 4927 | 3161 | 51 | None | 1 | 30 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | ||
| 7282 | 3161 | 51 | None | 1 | 30 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | ||
| CHEMBL643 | 3161 | 51 | None | 1 | 30 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | ||
| DB01069 | 3161 | 51 | None | 1 | 30 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | ||
| 155523648 | 176569 | 0 | None | -7 | 5 | Human | 9.0 | pKi | = | 9.0 | 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 | -7 | 5 | Human | 9.0 | pKi | = | 9.0 | 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 | -7 | 5 | Human | 9.0 | pKi | = | 9.0 | 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 | ||
| 101882890 | 115750 | 0 | None | -1 | 5 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 593 | 16 | 0 | 7 | 6.8 | CN1CCC=C(c2nsnc2OCCCCCCCCCC2CCN(CCCN3C(=O)CCc4ccccc43)CC2)C1 | 10.1021/jm501173q | ||
| CHEMBL3354069 | 115750 | 0 | None | -1 | 5 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 593 | 16 | 0 | 7 | 6.8 | CN1CCC=C(c2nsnc2OCCCCCCCCCC2CCN(CCCN3C(=O)CCc4ccccc43)CC2)C1 | 10.1021/jm501173q | ||
| 155550436 | 176477 | 0 | None | -14 | 5 | Human | 9.0 | pKi | = | 9.0 | 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 | -14 | 5 | Human | 9.0 | pKi | = | 9.0 | 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 | -14 | 5 | Human | 9.0 | pKi | = | 9.0 | 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 | ||
| 16115798 | 137853 | 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 | ||
| CHEMBL376255 | 137853 | 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 | ||
| 155560305 | 176229 | 0 | None | -5 | 5 | Human | 8.9 | pKi | = | 8.9 | 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 | -5 | 5 | Human | 8.9 | pKi | = | 8.9 | 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 | -5 | 5 | Human | 8.9 | pKi | = | 8.9 | 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 | ||
| 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 | ||
| 155556290 | 176432 | 0 | None | -7 | 5 | Human | 8.9 | pKi | = | 8.9 | 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 | -7 | 5 | Human | 8.9 | pKi | = | 8.9 | 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 | -7 | 5 | Human | 8.9 | pKi | = | 8.9 | 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 | ||
| 174174 | 521 | 49 | None | -2 | 14 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1016/j.bmc.2013.01.072 | ||
| 260 | 521 | 49 | None | -2 | 14 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1016/j.bmc.2013.01.072 | ||
| 320 | 521 | 49 | None | -2 | 14 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1016/j.bmc.2013.01.072 | ||
| CHEMBL517712 | 521 | 49 | None | -2 | 14 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1016/j.bmc.2013.01.072 | ||
| DB00572 | 521 | 49 | None | -2 | 14 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1016/j.bmc.2013.01.072 | ||
| CHEMBL5285607 | 194281 | 0 | None | 1 | 5 | Human | 8.9 | pKi | = | 8.9 | 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 | ||
| 164614083 | 188467 | 0 | None | -7 | 3 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 902 | 23 | 9 | 12 | 1.0 | CC(=O)N[C@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4855492 | 188467 | 0 | None | -7 | 3 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 902 | 23 | 9 | 12 | 1.0 | CC(=O)N[C@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028231 | 188467 | 0 | None | -7 | 3 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 902 | 23 | 9 | 12 | 1.0 | CC(=O)N[C@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 164624066 | 188556 | 0 | None | -6 | 3 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 787 | 18 | 7 | 10 | 1.8 | CC(=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4864987 | 188556 | 0 | None | -6 | 3 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 787 | 18 | 7 | 10 | 1.8 | CC(=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028806 | 188556 | 0 | None | -6 | 3 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 787 | 18 | 7 | 10 | 1.8 | CC(=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 5284632 | 67372 | 13 | None | -1 | 5 | Human | 8.8 | pKi | = | 8.8 | 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 | -1 | 5 | Human | 8.8 | pKi | = | 8.8 | 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 | -1 | 5 | Human | 8.8 | pKi | = | 8.8 | 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 | ||
| 10628017 | 21684 | 0 | None | -3 | 5 | Rat | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 650 | 26 | 3 | 7 | 7.0 | CN(CCCCCCN)CCCCCCCCN(C)CCCCCCNCCCC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm981038d | ||
| CHEMBL131865 | 21684 | 0 | None | -3 | 5 | Rat | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 650 | 26 | 3 | 7 | 7.0 | CN(CCCCCCN)CCCCCCCCN(C)CCCCCCNCCCC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm981038d | ||
| 57326235 | 77156 | 0 | None | -2 | 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 | -2 | 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 | -2 | 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 | ||
| 24846938 | 89772 | 0 | None | -1 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 339 | 8 | 1 | 5 | 3.4 | CCN(CC)CCOC(=O)C(O)(c1cccs1)C1CCCCC1 | 10.1016/j.bmc.2013.01.072 | ||
| CHEMBL2377267 | 89772 | 0 | None | -1 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 339 | 8 | 1 | 5 | 3.4 | CCN(CC)CCOC(=O)C(O)(c1cccs1)C1CCCCC1 | 10.1016/j.bmc.2013.01.072 | ||
| 15157137 | 99867 | 0 | None | 1 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 317 | 7 | 0 | 3 | 4.0 | CN(C)CCCOC(=O)C(C)(c1ccccc1)C1CCCCC1 | 10.1021/jm00085a017 | ||
| CHEMBL286008 | 99867 | 0 | None | 1 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 317 | 7 | 0 | 3 | 4.0 | CN(C)CCCOC(=O)C(C)(c1ccccc1)C1CCCCC1 | 10.1021/jm00085a017 | ||
| 302 | 2956 | 25 | None | -7 | 8 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | 10.1021/jm9904001 | ||
| 4630 | 2956 | 25 | None | -7 | 8 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | 10.1021/jm9904001 | ||
| CHEMBL7634 | 2956 | 25 | None | -7 | 8 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | 10.1021/jm9904001 | ||
| 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 | 10.1016/j.bmcl.2017.04.009 | ||
| 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 | 10.1016/j.bmcl.2017.04.009 | ||
| 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 | 10.1016/j.bmcl.2017.04.009 | ||
| 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 | 10.1016/j.bmcl.2017.04.009 | ||
| 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 | 10.1016/j.bmcl.2017.04.009 | ||
| 155567380 | 176384 | 0 | None | -20 | 5 | Human | 8.8 | pKi | = | 8.8 | 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 | -20 | 5 | Human | 8.8 | pKi | = | 8.8 | 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 | -20 | 5 | Human | 8.8 | pKi | = | 8.8 | 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 | ||
| CHEMBL5289083 | 194435 | 0 | None | 1 | 5 | Human | 8.8 | pKi | = | 8.8 | 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 | ||
| 16115943 | 11815 | 0 | None | -1 | 5 | Human | 8.7 | pKi | = | 8.7 | 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 | ||
| CHEMBL1182205 | 11815 | 0 | None | -1 | 5 | Human | 8.7 | pKi | = | 8.7 | 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 | ||
| CHEMBL220393 | 11815 | 0 | None | -1 | 5 | Human | 8.7 | pKi | = | 8.7 | 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 | ||
| 164624669 | 188562 | 0 | None | -7 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 674 | 15 | 6 | 8 | 2.1 | N=C(N)NCCC[C@@H](N)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4870127 | 188562 | 0 | None | -7 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 674 | 15 | 6 | 8 | 2.1 | N=C(N)NCCC[C@@H](N)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028837 | 188562 | 0 | None | -7 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 674 | 15 | 6 | 8 | 2.1 | N=C(N)NCCC[C@@H](N)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 16115796 | 137192 | 0 | None | -2 | 5 | Human | 8.7 | pKi | = | 8.7 | 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 | -2 | 5 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 325 | 3 | 0 | 3 | 4.1 | CN1CCC[C@@H]1[C@@H]1CSC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm061374r | ||
| 9809330 | 115973 | 0 | None | -18 | 5 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 552 | 16 | 0 | 13 | 2.3 | CN1CCC=C(c2nsnc2OCCOCCOCCOCCOc2nsnc2C2=CCCN(C)C2)C1 | 10.1021/jm0301235 | ||
| CHEMBL335542 | 115973 | 0 | None | -18 | 5 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 552 | 16 | 0 | 13 | 2.3 | CN1CCC=C(c2nsnc2OCCOCCOCCOCCOc2nsnc2C2=CCCN(C)C2)C1 | 10.1021/jm0301235 | ||
| 372625 | 101120 | 11 | None | -6 | 5 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 462 | 9 | 1 | 4 | 5.1 | CCN(CC)CCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL295388 | 101120 | 11 | None | -6 | 5 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 462 | 9 | 1 | 4 | 5.1 | CCN(CC)CCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 155566290 | 176556 | 0 | None | -25 | 5 | Human | 8.7 | pKi | = | 8.7 | 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 | -25 | 5 | Human | 8.7 | pKi | = | 8.7 | 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 | -25 | 5 | Human | 8.7 | pKi | = | 8.7 | 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 | ||
| 372625 | 101120 | 11 | None | -6 | 5 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 462 | 9 | 1 | 4 | 5.1 | CCN(CC)CCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1039/d0md00137f | ||
| CHEMBL295388 | 101120 | 11 | None | -6 | 5 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 462 | 9 | 1 | 4 | 5.1 | CCN(CC)CCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1039/d0md00137f | ||
| 10203251 | 5192 | 0 | None | 35 | 5 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 434 | 5 | 0 | 6 | 4.8 | CCCc1c(C(=O)OCC)c2c3c(ccc2n1C)OC1c2ccc(OC)cc2CCN1C3 | 10.1021/jm011116o | ||
| CHEMBL106224 | 5192 | 0 | None | 35 | 5 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 434 | 5 | 0 | 6 | 4.8 | CCCc1c(C(=O)OCC)c2c3c(ccc2n1C)OC1c2ccc(OC)cc2CCN1C3 | 10.1021/jm011116o | ||
| 9911615 | 99003 | 0 | None | 114 | 5 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 450 | 5 | 0 | 6 | 5.5 | CCCc1c(C(=O)OCC)c2c3c(ccc2n1C)OC1c2ccc(SC)cc2CCN1C3 | 10.1021/jm011116o | ||
| CHEMBL280220 | 99003 | 0 | None | 114 | 5 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 450 | 5 | 0 | 6 | 5.5 | CCCc1c(C(=O)OCC)c2c3c(ccc2n1C)OC1c2ccc(SC)cc2CCN1C3 | 10.1021/jm011116o | ||
| 9931930 | 108573 | 0 | None | 35 | 5 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 420 | 5 | 1 | 5 | 4.8 | CCCc1[nH]c2ccc3c(c2c1C(=O)OCC)CN1CCc2cc(OC)ccc2C1O3 | 10.1021/jm011116o | ||
| CHEMBL320465 | 108573 | 0 | None | 35 | 5 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 420 | 5 | 1 | 5 | 4.8 | CCCc1[nH]c2ccc3c(c2c1C(=O)OCC)CN1CCc2cc(OC)ccc2C1O3 | 10.1021/jm011116o | ||
| 129989 | 450 | 51 | None | -2 | 9 | Rat | 8.0 | pKi | = | 8 | Binding | ChEMBL | 463 | 9 | 1 | 5 | 4.5 | CCN(CCCCC1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | 10.1021/jm00075a032 | ||
| 8584 | 450 | 51 | None | -2 | 9 | Rat | 8.0 | pKi | = | 8 | Binding | ChEMBL | 463 | 9 | 1 | 5 | 4.5 | CCN(CCCCC1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | 10.1021/jm00075a032 | ||
| CHEMBL43383 | 450 | 51 | None | -2 | 9 | Rat | 8.0 | pKi | = | 8 | Binding | ChEMBL | 463 | 9 | 1 | 5 | 4.5 | CCN(CCCCC1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | 10.1021/jm00075a032 | ||
| 119357 | 303 | 49 | None | -1 | 6 | Human | 8.0 | pKi | = | 8 | 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 | -1 | 6 | Human | 8.0 | pKi | = | 8 | 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 | -1 | 6 | Human | 8.0 | pKi | = | 8 | 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 | -1 | 6 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 478 | 9 | 2 | 5 | 4.5 | CCCN(CC1CCCCN1CCNC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CCC | 10.1016/s0960-894x(01)00186-x | ||
| 10125445 | 75999 | 0 | None | -3 | 5 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 286 | 4 | 1 | 4 | 3.6 | Cc1c(NC2CC2)nc(C2CC2)nc1N1CCCCCC1 | 10.1016/j.bmcl.2006.01.006 | ||
| CHEMBL205654 | 75999 | 0 | None | -3 | 5 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 286 | 4 | 1 | 4 | 3.6 | Cc1c(NC2CC2)nc(C2CC2)nc1N1CCCCCC1 | 10.1016/j.bmcl.2006.01.006 | ||
| 119357 | 303 | 49 | None | -1 | 6 | Human | 8.0 | pKi | = | 8 | 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 | -1 | 6 | Human | 8.0 | pKi | = | 8 | 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 | -1 | 6 | Human | 8.0 | pKi | = | 8 | 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 | -1 | 6 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 478 | 9 | 2 | 5 | 4.5 | CCCN(CC1CCCCN1CCNC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CCC | 10.1021/acs.jmedchem.8b01967 | ||
| 137637944 | 155791 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | 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 | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 450 | 4 | 0 | 5 | 4.3 | O=C(C1CCN(c2cc(Oc3ccc(F)cc3F)ncn2)CC1)N1CCc2ccccc2C1 | 10.1016/j.bmcl.2017.04.009 | ||
| 164623076 | 188543 | 0 | None | -27 | 5 | Human | 8.0 | pKi | = | 8.0 | 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 | -27 | 5 | Human | 8.0 | pKi | = | 8.0 | 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 | -27 | 5 | Human | 8.0 | pKi | = | 8.0 | 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 | ||
| 155559741 | 176263 | 0 | None | -5 | 5 | Human | 8.0 | pKi | = | 8.0 | 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 | -5 | 5 | Human | 8.0 | pKi | = | 8.0 | 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 | -5 | 5 | Human | 8.0 | pKi | = | 8.0 | 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 | ||
| 324 | 1912 | 15 | None | -1 | 9 | Human | 8.0 | pKi | = | 8.0 | 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(01)00186-x | ||
| 6436265 | 1912 | 15 | None | -1 | 9 | Human | 8.0 | pKi | = | 8.0 | 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(01)00186-x | ||
| CHEMBL277642 | 1912 | 15 | None | -1 | 9 | Human | 8.0 | pKi | = | 8.0 | 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(01)00186-x | ||
| 324 | 1912 | 15 | None | -1 | 9 | Human | 8.0 | pKi | = | 8.0 | 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(02)00315-3 | ||
| 6436265 | 1912 | 15 | None | -1 | 9 | Human | 8.0 | pKi | = | 8.0 | 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(02)00315-3 | ||
| CHEMBL277642 | 1912 | 15 | None | -1 | 9 | Human | 8.0 | pKi | = | 8.0 | 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(02)00315-3 | ||
| 164619973 | 188517 | 0 | None | -33 | 5 | Human | 8.0 | pKi | = | 8.0 | 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 | -33 | 5 | Human | 8.0 | pKi | = | 8.0 | 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 | -33 | 5 | Human | 8.0 | pKi | = | 8.0 | 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 | ||
| 10114698 | 4801 | 0 | None | 41 | 5 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 448 | 7 | 1 | 5 | 5.5 | CCCCCc1[nH]c2ccc3c(c2c1C(=O)OCC)CN1CCc2cc(OC)ccc2C1O3 | 10.1021/jm011116o | ||
| CHEMBL104210 | 4801 | 0 | None | 41 | 5 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 448 | 7 | 1 | 5 | 5.5 | CCCCCc1[nH]c2ccc3c(c2c1C(=O)OCC)CN1CCc2cc(OC)ccc2C1O3 | 10.1021/jm011116o | ||
| 135398737 | 955 | 93 | None | -7 | 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 | -7 | 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 | -7 | 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 | -7 | 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 | -7 | 92 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1039/C2MD00311B | ||
| 145960827 | 161356 | 0 | None | -1 | 5 | Human | 7.0 | pKi | = | 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 | ||
| CHEMBL4126290 | 161356 | 0 | None | -1 | 5 | Human | 7.0 | pKi | = | 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 | ||
| 44299589 | 196374 | 0 | None | -1 | 4 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 345 | 2 | 0 | 3 | 4.4 | C[C@@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[C@@H](/C=C\[C@H]3CCC[C@H](C)N3C)[C@H]12 | 10.1016/s0960-894x(02)00315-3 | ||
| CHEMBL56275 | 196374 | 0 | None | -1 | 4 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 345 | 2 | 0 | 3 | 4.4 | C[C@@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[C@@H](/C=C\[C@H]3CCC[C@H](C)N3C)[C@H]12 | 10.1016/s0960-894x(02)00315-3 | ||
| 135398745 | 2893 | 112 | None | -32 | 66 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1039/C2MD00311B | ||
| 47 | 2893 | 112 | None | -32 | 66 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1039/C2MD00311B | ||
| CHEMBL715 | 2893 | 112 | None | -32 | 66 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1039/C2MD00311B | ||
| DB00334 | 2893 | 112 | None | -32 | 66 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1039/C2MD00311B | ||
| 2337 | 3232 | 77 | None | -26 | 63 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | 10.1039/C2MD00311B | ||
| 50 | 3232 | 77 | None | -26 | 63 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | 10.1039/C2MD00311B | ||
| 5002 | 3232 | 77 | None | -26 | 63 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | 10.1039/C2MD00311B | ||
| CHEMBL716 | 3232 | 77 | None | -26 | 63 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | 10.1039/C2MD00311B | ||
| DB01224 | 3232 | 77 | None | -26 | 63 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | 10.1039/C2MD00311B | ||
| 11012653 | 120794 | 0 | None | -6 | 5 | Human | 6.0 | pKi | = | 6 | 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 | -6 | 5 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 320 | 6 | 0 | 2 | 4.9 | CC(C1=C(CCN(C)C(C)C)Cc2ccccc21)c1ccccn1 | 10.1021/jm020895l | ||
| 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 | ||
| 44448530 | 12303 | 0 | None | -1 | 2 | Human | 4.0 | pKi | = | 4 | Binding | ChEMBL | 386 | 7 | 1 | 3 | 4.5 | OC(CCCN1CCN(c2ccccc2)CC1)(c1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2008.03.061 | ||
| CHEMBL1185259 | 12303 | 0 | None | -1 | 2 | Human | 4.0 | pKi | = | 4 | Binding | ChEMBL | 386 | 7 | 1 | 3 | 4.5 | OC(CCCN1CCN(c2ccccc2)CC1)(c1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2008.03.061 | ||
| CHEMBL403029 | 12303 | 0 | None | -1 | 2 | Human | 4.0 | pKi | = | 4 | Binding | ChEMBL | 386 | 7 | 1 | 3 | 4.5 | OC(CCCN1CCN(c2ccccc2)CC1)(c1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2008.03.061 | ||
| 44593617 | 187407 | 0 | None | -5 | 5 | Human | 6.0 | pKi | = | 6.0 | 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 | -5 | 5 | Human | 6.0 | pKi | = | 6.0 | 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 | ||
| 123603 | 880 | 29 | None | -1 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 199 | 0 | 0 | 3 | 1.6 | CC1SCC2(O1)CN1CCC2CC1 | 10.1016/j.bmcl.2014.06.020 | ||
| 2684 | 880 | 29 | None | -1 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 199 | 0 | 0 | 3 | 1.6 | CC1SCC2(O1)CN1CCC2CC1 | 10.1016/j.bmcl.2014.06.020 | ||
| 584 | 880 | 29 | None | -1 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 199 | 0 | 0 | 3 | 1.6 | CC1SCC2(O1)CN1CCC2CC1 | 10.1016/j.bmcl.2014.06.020 | ||
| 9658 | 880 | 29 | None | -1 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 199 | 0 | 0 | 3 | 1.6 | CC1SCC2(O1)CN1CCC2CC1 | 10.1016/j.bmcl.2014.06.020 | ||
| CHEMBL168815 | 880 | 29 | None | -1 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 199 | 0 | 0 | 3 | 1.6 | CC1SCC2(O1)CN1CCC2CC1 | 10.1016/j.bmcl.2014.06.020 | ||
| 164614364 | 188471 | 0 | None | -2 | 3 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 733 | 15 | 9 | 10 | -1.0 | CC(=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNCC(=O)NC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4847458 | 188471 | 0 | None | -2 | 3 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 733 | 15 | 9 | 10 | -1.0 | CC(=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNCC(=O)NC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028248 | 188471 | 0 | None | -2 | 3 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 733 | 15 | 9 | 10 | -1.0 | CC(=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNCC(=O)NC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 2733619 | 11879 | 8 | None | -3 | 5 | Human | 7.0 | pKi | = | 7.0 | 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 | -3 | 5 | Human | 7.0 | pKi | = | 7.0 | 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 | -3 | 5 | Human | 7.0 | pKi | = | 7.0 | 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 | -3 | 5 | Human | 7.0 | pKi | = | 7.0 | 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 | ||
| 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 | ||
| 44593623 | 187856 | 0 | None | -6 | 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 | -6 | 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 | -6 | 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 | ||
| 15050948 | 102790 | 0 | None | -1 | 4 | Rat | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 513 | 7 | 3 | 7 | 1.8 | NCCNC(=O)c1ccc(CN2CCN(CC(=O)N3c4ccccc4C(=O)Nc4cccnc43)CC2)cc1 | 10.1021/jm00111a032 | ||
| CHEMBL305403 | 102790 | 0 | None | -1 | 4 | Rat | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 513 | 7 | 3 | 7 | 1.8 | NCCNC(=O)c1ccc(CN2CCN(CC(=O)N3c4ccccc4C(=O)Nc4cccnc43)CC2)cc1 | 10.1021/jm00111a032 | ||
| 164611347 | 188450 | 0 | None | -14 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 718 | 18 | 8 | 9 | 1.9 | CC(=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4856090 | 188450 | 0 | None | -14 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 718 | 18 | 8 | 9 | 1.9 | CC(=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028070 | 188450 | 0 | None | -14 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 718 | 18 | 8 | 9 | 1.9 | CC(=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 2200 | 3109 | 46 | None | -2 | 13 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm301774u | ||
| 328 | 3109 | 46 | None | -2 | 13 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm301774u | ||
| 4848 | 3109 | 46 | None | -2 | 13 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm301774u | ||
| CHEMBL9967 | 3109 | 46 | None | -2 | 13 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm301774u | ||
| DB00670 | 3109 | 46 | None | -2 | 13 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm301774u | ||
| 71575122 | 86184 | 0 | None | -45 | 4 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 377 | 6 | 0 | 4 | 3.9 | CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc3c(c2)CCO3)C1 | 10.1021/jm301774u | ||
| CHEMBL2312376 | 86184 | 0 | None | -45 | 4 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 377 | 6 | 0 | 4 | 3.9 | CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc3c(c2)CCO3)C1 | 10.1021/jm301774u | ||
| 154734599 | 2486 | 12 | None | -2 | 12 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1016/j.bmc.2007.01.022 | ||
| 327 | 2486 | 12 | None | -2 | 12 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1016/j.bmc.2007.01.022 | ||
| 4108 | 2486 | 12 | None | -2 | 12 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1016/j.bmc.2007.01.022 | ||
| CHEMBL27673 | 2486 | 12 | None | -2 | 12 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1016/j.bmc.2007.01.022 | ||
| 155559291 | 176635 | 0 | None | -3 | 4 | Human | 6.0 | pKi | = | 6.0 | 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 | -3 | 4 | Human | 6.0 | pKi | = | 6.0 | 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 | -3 | 4 | Human | 6.0 | pKi | = | 6.0 | 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 | ||
| 109035013 | 180451 | 1 | None | -3 | 4 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 314 | 4 | 1 | 2 | 4.1 | O=C(CCN1CCCc2ccccc21)Nc1ccc(Cl)cc1 | 10.1016/j.bmcl.2020.127632 | ||
| CHEMBL4752973 | 180451 | 1 | None | -3 | 4 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 314 | 4 | 1 | 2 | 4.1 | O=C(CCN1CCCc2ccccc21)Nc1ccc(Cl)cc1 | 10.1016/j.bmcl.2020.127632 | ||
| 11048067 | 5547 | 0 | None | 1 | 5 | Human | 7.0 | pKi | = | 7.0 | 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 | 1 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 420 | 4 | 0 | 6 | 4.6 | CCOC(=O)c1c(C)n(CC)c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3 | 10.1021/jm011116o | ||
| 44437227 | 11846 | 0 | None | 3 | 2 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 194 | 3 | 0 | 4 | 0.9 | Cc1cc(OCC#CCN(C)C)no1 | 10.1016/j.bmc.2007.09.003 | ||
| CHEMBL1182447 | 11846 | 0 | None | 3 | 2 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 194 | 3 | 0 | 4 | 0.9 | Cc1cc(OCC#CCN(C)C)no1 | 10.1016/j.bmc.2007.09.003 | ||
| CHEMBL239017 | 11846 | 0 | None | 3 | 2 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 194 | 3 | 0 | 4 | 0.9 | Cc1cc(OCC#CCN(C)C)no1 | 10.1016/j.bmc.2007.09.003 | ||
| 164611279 | 188449 | 0 | None | -4 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 832 | 19 | 12 | 11 | -1.4 | CC(=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCC(=O)NC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4854472 | 188449 | 0 | None | -4 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 832 | 19 | 12 | 11 | -1.4 | CC(=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCC(=O)NC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028067 | 188449 | 0 | None | -4 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 832 | 19 | 12 | 11 | -1.4 | CC(=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCC(=O)NC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 164623185 | 188546 | 0 | None | 1 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 407 | 4 | 3 | 5 | 1.5 | NCC(=O)NC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4864101 | 188546 | 0 | None | 1 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 407 | 4 | 3 | 5 | 1.5 | NCC(=O)NC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028743 | 188546 | 0 | None | 1 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 407 | 4 | 3 | 5 | 1.5 | NCC(=O)NC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 66561967 | 74675 | 0 | None | -1 | 7 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 213 | 2 | 0 | 1 | 2.0 | C1CC2CCC1N2CC12C3C4C5C3C1C5C42 | 10.1016/j.bmcl.2012.04.077 | ||
| CHEMBL2030626 | 74675 | 0 | None | -1 | 7 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 213 | 2 | 0 | 1 | 2.0 | C1CC2CCC1N2CC12C3C4C5C3C1C5C42 | 10.1016/j.bmcl.2012.04.077 | ||
| 11061341 | 78890 | 0 | None | -23 | 5 | Human | 8.0 | pKi | = | 8.0 | 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 | -23 | 5 | Human | 8.0 | pKi | = | 8.0 | 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 | ||
| 100 | 3776 | 58 | None | -14 | 56 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | ||
| 2637 | 3776 | 58 | None | -14 | 56 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | ||
| 5452 | 3776 | 58 | None | -14 | 56 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | ||
| CHEMBL479 | 3776 | 58 | None | -14 | 56 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | ||
| DB00679 | 3776 | 58 | None | -14 | 56 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | ||
| 16086063 | 80533 | 0 | None | -57 | 5 | Human | 8.0 | pKi | = | 8.0 | 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 | -57 | 5 | Human | 8.0 | pKi | = | 8.0 | 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 | ||
| 12872437 | 12026 | 0 | None | -9 | 5 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 338 | 2 | 0 | 3 | 3.1 | C[N+]1(C)CCC2(CC1)OC(=O)C(c1ccccc1)(c1ccccc1)O2 | 10.1016/0960-894X(95)00403-G | ||
| CHEMBL1183585 | 12026 | 0 | None | -9 | 5 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 338 | 2 | 0 | 3 | 3.1 | C[N+]1(C)CCC2(CC1)OC(=O)C(c1ccccc1)(c1ccccc1)O2 | 10.1016/0960-894X(95)00403-G | ||
| CHEMBL306182 | 12026 | 0 | None | -9 | 5 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 338 | 2 | 0 | 3 | 3.1 | C[N+]1(C)CCC2(CC1)OC(=O)C(c1ccccc1)(c1ccccc1)O2 | 10.1016/0960-894X(95)00403-G | ||
| 3652 | 4066 | 79 | None | -3 | 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 | -3 | 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 | -3 | 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 | -3 | 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 | -3 | 18 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm501173q | ||
| 132947 | 3835 | 9 | None | -22 | 9 | Human | 7.9 | pKi | = | 7.9 | 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/j.bmc.2008.06.025 | ||
| 361 | 3835 | 9 | None | -22 | 9 | Human | 7.9 | pKi | = | 7.9 | 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/j.bmc.2008.06.025 | ||
| CHEMBL265256 | 3835 | 9 | None | -22 | 9 | Human | 7.9 | pKi | = | 7.9 | 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/j.bmc.2008.06.025 | ||
| 145960466 | 161499 | 0 | None | -2 | 5 | Human | 7.9 | pKi | = | 7.9 | 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 | -2 | 5 | Human | 7.9 | pKi | = | 7.9 | 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 | ||
| 132947 | 3835 | 9 | None | -15 | 9 | Rat | 7.9 | pKi | = | 7.9 | 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 | 10.1021/jm981038d | ||
| 361 | 3835 | 9 | None | -15 | 9 | Rat | 7.9 | pKi | = | 7.9 | 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 | 10.1021/jm981038d | ||
| CHEMBL265256 | 3835 | 9 | None | -15 | 9 | Rat | 7.9 | pKi | = | 7.9 | 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 | 10.1021/jm981038d | ||
| 132947 | 3835 | 9 | None | -15 | 9 | Rat | 7.9 | pKi | = | 7.9 | 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 | 10.1021/jm00075a032 | ||
| 361 | 3835 | 9 | None | -15 | 9 | Rat | 7.9 | pKi | = | 7.9 | 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 | 10.1021/jm00075a032 | ||
| CHEMBL265256 | 3835 | 9 | None | -15 | 9 | Rat | 7.9 | pKi | = | 7.9 | 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 | 10.1021/jm00075a032 | ||
| CHEMBL69452 | 203951 | 0 | None | -2 | 5 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 331 | 6 | 1 | 5 | 2.7 | CCO/C(O)=C1\CN2CC(CCC2COCc2ccccc2)C1=O | 10.1021/jm020572p | ||
| 44439406 | 91784 | 0 | None | -1 | 2 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 422 | 8 | 0 | 4 | 5.9 | CCCCSC1=CCc2ccc(/N=C/N3CCc4cc(OC)c(OC)cc4C3)cc21 | 10.1016/j.bmcl.2007.01.093 | ||
| CHEMBL241283 | 91784 | 0 | None | -1 | 2 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 422 | 8 | 0 | 4 | 5.9 | CCCCSC1=CCc2ccc(/N=C/N3CCc4cc(OC)c(OC)cc4C3)cc21 | 10.1016/j.bmcl.2007.01.093 | ||
| 71457690 | 83769 | 0 | None | 1 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 280 | 3 | 1 | 3 | 1.4 | OC12C3C4CC5C6C4C1C6C(C53)N2CCc1cccnc1 | 10.1016/j.bmcl.2012.08.046 | ||
| CHEMBL2205817 | 83769 | 0 | None | 1 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 280 | 3 | 1 | 3 | 1.4 | OC12C3C4CC5C6C4C1C6C(C53)N2CCc1cccnc1 | 10.1016/j.bmcl.2012.08.046 | ||
| 118719929 | 115757 | 0 | None | 1 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 442 | 15 | 1 | 3 | 6.0 | O=C1CCc2ccccc2N1CCCN1CCC(CCCCCCCCCCCO)CC1 | 10.1021/jm501173q | ||
| CHEMBL3354076 | 115757 | 0 | None | 1 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 442 | 15 | 1 | 3 | 6.0 | O=C1CCc2ccccc2N1CCCN1CCC(CCCCCCCCCCCO)CC1 | 10.1021/jm501173q | ||
| 44593627 | 193275 | 0 | None | -4 | 5 | Human | 7.0 | pKi | = | 7.0 | 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 | -4 | 5 | Human | 7.0 | pKi | = | 7.0 | 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 | -4 | 5 | Human | 7.0 | pKi | = | 7.0 | 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 | ||
| 162353386 | 180956 | 0 | None | -1 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 300 | 3 | 0 | 2 | 3.6 | C[C@H]1CCC[C@@H](C)N1C(=O)CCN1CCCc2ccccc21 | 10.1016/j.bmcl.2020.127632 | ||
| CHEMBL4758635 | 180956 | 0 | None | -1 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 300 | 3 | 0 | 2 | 3.6 | C[C@H]1CCC[C@@H](C)N1C(=O)CCN1CCCc2ccccc21 | 10.1016/j.bmcl.2020.127632 | ||
| 57326237 | 77154 | 0 | None | -2 | 5 | Human | 5.0 | pKi | = | 5.0 | 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 | -2 | 5 | Human | 5.0 | pKi | = | 5.0 | 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 | -2 | 5 | Human | 5.0 | pKi | = | 5.0 | 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 | ||
| 44448457 | 11881 | 0 | None | 1 | 5 | Human | 5.0 | pKi | = | 5.0 | 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 | 5.0 | pKi | = | 5.0 | 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 | 5.0 | pKi | = | 5.0 | 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 | ||
| 44448419 | 12304 | 0 | None | -1 | 5 | Human | 5.0 | pKi | = | 5.0 | 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 | 5.0 | pKi | = | 5.0 | 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 | 5.0 | pKi | = | 5.0 | 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 | ||
| 24865895 | 95976 | 0 | None | -3 | 5 | Human | 4.9 | pKi | = | 4.9 | 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 | -3 | 5 | Human | 4.9 | pKi | = | 4.9 | 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 | -3 | 5 | Human | 4.9 | pKi | = | 4.9 | 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 | -9 | 5 | Human | 4.9 | pKi | = | 4.9 | 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 | -9 | 5 | Human | 4.9 | pKi | = | 4.9 | 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 | -9 | 5 | Human | 4.9 | pKi | = | 4.9 | 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 | -3 | 5 | Human | 4.9 | pKi | = | 4.9 | 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 | -3 | 5 | Human | 4.9 | pKi | = | 4.9 | 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 | -3 | 5 | Human | 4.9 | pKi | = | 4.9 | 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 | -3 | 5 | Human | 4.9 | pKi | = | 4.9 | 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 | -3 | 5 | Human | 4.9 | pKi | = | 4.9 | 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 | -3 | 5 | Human | 4.9 | pKi | = | 4.9 | 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 | ||
| 3191 | 102831 | 97 | None | -5 | 25 | Human | 6.9 | pKi | = | 6.9 | 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 | -5 | 25 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 469 | 9 | 0 | 3 | 7.2 | CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 | nan | ||
| 71575027 | 86194 | 0 | None | -24 | 5 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 379 | 8 | 0 | 4 | 4.4 | CCN1CCC(c2ccccc2)=C(C(=O)OCCCc2ccc(OC)cc2)C1 | 10.1021/jm301774u | ||
| CHEMBL2312389 | 86194 | 0 | None | -24 | 5 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 379 | 8 | 0 | 4 | 4.4 | CCN1CCC(c2ccccc2)=C(C(=O)OCCCc2ccc(OC)cc2)C1 | 10.1021/jm301774u | ||
| 44448385 | 11878 | 0 | None | 2 | 5 | Human | 5.9 | pKi | = | 5.9 | 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 | 5.9 | pKi | = | 5.9 | 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 | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 406 | 7 | 1 | 3 | 4.8 | CN1CCC(C2CCN(CCCC(O)(c3ccccc3)c3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2008.03.061 | ||
| 44448606 | 11886 | 0 | None | -1 | 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 | -1 | 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 | -1 | 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 | ||
| 44593622 | 187772 | 0 | None | -5 | 5 | Human | 5.9 | pKi | = | 5.9 | 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 | -5 | 5 | Human | 5.9 | pKi | = | 5.9 | 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 | -5 | 5 | Human | 5.9 | pKi | = | 5.9 | 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 | ||
| 156013536 | 178287 | 0 | None | -2 | 5 | Human | 5.9 | pKi | = | 5.9 | 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 | 5.9 | pKi | = | 5.9 | 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 | 5.9 | pKi | = | 5.9 | 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 | ||
| 145961125 | 161522 | 0 | None | -3 | 5 | Human | 5.9 | pKi | = | 5.9 | 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 | -3 | 5 | Human | 5.9 | pKi | = | 5.9 | 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 | ||
| 162353384 | 181066 | 0 | None | -2 | 4 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 288 | 4 | 1 | 3 | 1.8 | O=C(CCN1CCCc2ccccc21)N1CCCC1CO | 10.1016/j.bmcl.2020.127632 | ||
| CHEMBL4760037 | 181066 | 0 | None | -2 | 4 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 288 | 4 | 1 | 3 | 1.8 | O=C(CCN1CCCc2ccccc21)N1CCCC1CO | 10.1016/j.bmcl.2020.127632 | ||
| 6726 | 1269 | 51 | None | -5 | 13 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
| 7151 | 1269 | 51 | None | -5 | 13 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
| 749 | 1269 | 51 | None | -5 | 13 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
| CHEMBL648 | 1269 | 51 | None | -5 | 13 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
| DB01176 | 1269 | 51 | None | -5 | 13 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
| 164613559 | 188462 | 0 | None | -38 | 5 | Human | 7.9 | pKi | = | 7.9 | 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 | -38 | 5 | Human | 7.9 | pKi | = | 7.9 | 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 | -38 | 5 | Human | 7.9 | pKi | = | 7.9 | 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 | ||
| 70685504 | 74425 | 0 | None | -3 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 406 | 4 | 1 | 4 | 3.7 | CN(CC(=O)N1c2ccccc2NC(=O)c2ccccc21)[C@H]1CCCC[C@H]1N(C)C | 10.1016/j.bmc.2008.06.025 | ||
| CHEMBL2021478 | 74425 | 0 | None | -3 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 406 | 4 | 1 | 4 | 3.7 | CN(CC(=O)N1c2ccccc2NC(=O)c2ccccc21)[C@H]1CCCC[C@H]1N(C)C | 10.1016/j.bmc.2008.06.025 | ||
| CHEMBL2027846 | 74425 | 0 | None | -3 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 406 | 4 | 1 | 4 | 3.7 | CN(CC(=O)N1c2ccccc2NC(=O)c2ccccc21)[C@H]1CCCC[C@H]1N(C)C | 10.1016/j.bmc.2008.06.025 | ||
| 135398737 | 955 | 93 | None | -7 | 92 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm070516u | ||
| 38 | 955 | 93 | None | -7 | 92 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm070516u | ||
| 722 | 955 | 93 | None | -7 | 92 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm070516u | ||
| CHEMBL42 | 955 | 93 | None | -7 | 92 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm070516u | ||
| DB00363 | 955 | 93 | None | -7 | 92 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm070516u | ||
| 135398745 | 2893 | 112 | None | -32 | 66 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1021/jm070516u | ||
| 47 | 2893 | 112 | None | -32 | 66 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1021/jm070516u | ||
| CHEMBL715 | 2893 | 112 | None | -32 | 66 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1021/jm070516u | ||
| DB00334 | 2893 | 112 | None | -32 | 66 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1021/jm070516u | ||
| 25067048 | 12301 | 0 | None | 28 | 5 | Human | 7.9 | pKi | = | 7.9 | 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 | 28 | 5 | Human | 7.9 | pKi | = | 7.9 | 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 | 28 | 5 | Human | 7.9 | pKi | = | 7.9 | 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 | ||
| 16094788 | 141890 | 0 | None | -5 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 531 | 19 | 0 | 14 | 1.6 | COc1nsnc1OCCOCCOCCOCCOCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm0606995 | ||
| CHEMBL386983 | 141890 | 0 | None | -5 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 531 | 19 | 0 | 14 | 1.6 | COc1nsnc1OCCOCCOCCOCCOCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm0606995 | ||
| 71449148 | 79509 | 0 | None | -1 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 436 | 6 | 0 | 4 | 5.5 | COc1ccc([S@@+]([O-])c2ccc(C(C#N)C3CCN(C4CCCCC4)CC3)cc2)cc1 | 10.1016/s0960-894x(00)00437-6 | ||
| CHEMBL2114064 | 79509 | 0 | None | -1 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 436 | 6 | 0 | 4 | 5.5 | COc1ccc([S@@+]([O-])c2ccc(C(C#N)C3CCN(C4CCCCC4)CC3)cc2)cc1 | 10.1016/s0960-894x(00)00437-6 | ||
| 70687661 | 74424 | 0 | None | -3 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 406 | 4 | 1 | 4 | 3.7 | CN(C)[C@@H]1CCCC[C@H]1N(C)CC(=O)N1c2ccccc2NC(=O)c2ccccc21 | 10.1016/j.bmc.2008.06.025 | ||
| CHEMBL2021476 | 74424 | 0 | None | -3 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 406 | 4 | 1 | 4 | 3.7 | CN(C)[C@@H]1CCCC[C@H]1N(C)CC(=O)N1c2ccccc2NC(=O)c2ccccc21 | 10.1016/j.bmc.2008.06.025 | ||
| CHEMBL2027845 | 74424 | 0 | None | -3 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 406 | 4 | 1 | 4 | 3.7 | CN(C)[C@@H]1CCCC[C@H]1N(C)CC(=O)N1c2ccccc2NC(=O)c2ccccc21 | 10.1016/j.bmc.2008.06.025 | ||
| 16086067 | 81288 | 0 | None | -75 | 5 | Human | 6.9 | pKi | = | 6.9 | 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 | -75 | 5 | Human | 6.9 | pKi | = | 6.9 | 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 | ||
| 44439400 | 91185 | 0 | None | -2 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 408 | 7 | 0 | 4 | 5.2 | CCCOC1CCCc2ccc(/N=C/N3CCc4cc(OC)c(OC)cc4C3)cc21 | 10.1016/j.bmcl.2007.01.093 | ||
| CHEMBL240023 | 91185 | 0 | None | -2 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 408 | 7 | 0 | 4 | 5.2 | CCCOC1CCCc2ccc(/N=C/N3CCc4cc(OC)c(OC)cc4C3)cc21 | 10.1016/j.bmcl.2007.01.093 | ||
| 44439391 | 145094 | 0 | None | -331 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 336 | 3 | 2 | 4 | 3.3 | COc1ccc2[nH]c3c(c2c1)CCNC3Cc1ccc2c(c1)OCO2 | 10.1016/j.bmcl.2007.01.093 | ||
| CHEMBL391190 | 145094 | 0 | None | -331 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 336 | 3 | 2 | 4 | 3.3 | COc1ccc2[nH]c3c(c2c1)CCNC3Cc1ccc2c(c1)OCO2 | 10.1016/j.bmcl.2007.01.093 | ||
| 44274469 | 80579 | 1 | None | -1 | 5 | Human | 4.9 | pKi | = | 4.9 | 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 | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 276 | 4 | 0 | 2 | 4.0 | CN(C)CCC1=C/C(=C\c2ccccn2)c2ccccc21 | 10.1016/s0960-894x(01)00186-x | ||
| 162649767 | 180078 | 0 | None | -5 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 333 | 4 | 1 | 3 | 4.0 | Cn1ccc2c(NC(=O)CCN3CCCc4ccccc43)cccc21 | 10.1016/j.bmcl.2020.127632 | ||
| CHEMBL4748337 | 180078 | 0 | None | -5 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 333 | 4 | 1 | 3 | 4.0 | Cn1ccc2c(NC(=O)CCN3CCCc4ccccc43)cccc21 | 10.1016/j.bmcl.2020.127632 | ||
| 2733638 | 11882 | 2 | None | -5 | 5 | Human | 6.9 | pKi | = | 6.9 | 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 | -5 | 5 | Human | 6.9 | pKi | = | 6.9 | 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 | -5 | 5 | Human | 6.9 | pKi | = | 6.9 | 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 | -5 | 5 | Human | 6.9 | pKi | = | 6.9 | 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 | -5 | 5 | Human | 6.9 | pKi | = | 6.9 | 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 | ||
| 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 | ||
| 11099206 | 120761 | 0 | None | -3 | 5 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 318 | 5 | 0 | 2 | 4.7 | CC(C1=C(CCN2CCCC2)Cc2ccccc21)c1ccccn1 | 10.1021/jm020895l | ||
| CHEMBL355455 | 120761 | 0 | None | -3 | 5 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 318 | 5 | 0 | 2 | 4.7 | CC(C1=C(CCN2CCCC2)Cc2ccccc21)c1ccccn1 | 10.1021/jm020895l | ||
| 54816802 | 181248 | 2 | None | -2 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 258 | 2 | 0 | 2 | 2.5 | O=C(CN1CCCc2ccccc21)N1CCCCC1 | 10.1016/j.bmcl.2020.127632 | ||
| CHEMBL4762056 | 181248 | 2 | None | -2 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 258 | 2 | 0 | 2 | 2.5 | O=C(CN1CCCc2ccccc21)N1CCCCC1 | 10.1016/j.bmcl.2020.127632 | ||
| 44448500 | 12302 | 0 | None | 1 | 5 | Human | 5.9 | pKi | = | 5.9 | 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 | 5.9 | pKi | = | 5.9 | 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 | 5.9 | pKi | = | 5.9 | 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 | ||
| 44274302 | 77038 | 0 | None | -1 | 5 | Human | 4.9 | pKi | = | 4.9 | 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 | -1 | 5 | Human | 4.9 | pKi | = | 4.9 | 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 | ||
| 57326144 | 77162 | 0 | None | -1 | 5 | Human | 4.9 | pKi | = | 4.9 | 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 | 4.9 | pKi | = | 4.9 | 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 | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 236 | 3 | 0 | 2 | 1.8 | C[N+](C)(C)C[C@@H]1COC[C@H](c2ccccc2)O1 | 10.1021/jm2013216 | ||
| 71455894 | 83773 | 0 | None | -1 | 12 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 325 | 4 | 1 | 4 | 2.0 | COc1ccc(CN2C3C4C5CC6C7C5C3C7C2(O)C64)cc1OC | 10.1016/j.bmcl.2012.08.046 | ||
| CHEMBL2205827 | 83773 | 0 | None | -1 | 12 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 325 | 4 | 1 | 4 | 2.0 | COc1ccc(CN2C3C4C5CC6C7C5C3C7C2(O)C64)cc1OC | 10.1016/j.bmcl.2012.08.046 | ||
| 71455894 | 83773 | 0 | None | -1 | 12 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 325 | 4 | 1 | 4 | 2.0 | COc1ccc(CN2C3C4C5CC6C7C5C3C7C2(O)C64)cc1OC | 10.1016/j.bmc.2013.07.045 | ||
| CHEMBL2205827 | 83773 | 0 | None | -1 | 12 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 325 | 4 | 1 | 4 | 2.0 | COc1ccc(CN2C3C4C5CC6C7C5C3C7C2(O)C64)cc1OC | 10.1016/j.bmc.2013.07.045 | ||
| 2337 | 3232 | 77 | None | -26 | 63 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | 10.1021/jm070516u | ||
| 50 | 3232 | 77 | None | -26 | 63 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | 10.1021/jm070516u | ||
| 5002 | 3232 | 77 | None | -26 | 63 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | 10.1021/jm070516u | ||
| CHEMBL716 | 3232 | 77 | None | -26 | 63 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | 10.1021/jm070516u | ||
| DB01224 | 3232 | 77 | None | -26 | 63 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | 10.1021/jm070516u | ||
| 164627253 | 188579 | 0 | None | -28 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 889 | 20 | 10 | 13 | -1.7 | CC(=O)N[C@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@@H](CCNC(=N)N)NCCN1CCN(CC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4876651 | 188579 | 0 | None | -28 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 889 | 20 | 10 | 13 | -1.7 | CC(=O)N[C@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@@H](CCNC(=N)N)NCCN1CCN(CC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028989 | 188579 | 0 | None | -28 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 889 | 20 | 10 | 13 | -1.7 | CC(=O)N[C@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@@H](CCNC(=N)N)NCCN1CCN(CC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 44274441 | 99065 | 0 | None | -1 | 5 | Human | 4.9 | pKi | = | 4.9 | 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 | -1 | 5 | Human | 4.9 | pKi | = | 4.9 | 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 | ||
| 73350931 | 92505 | 0 | None | -2 | 5 | Human | 5.9 | pKi | = | 5.9 | 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 | -2 | 5 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 279 | 3 | 0 | 2 | 2.4 | CN(Cc1ccccc1)[C@H]1C2C3CC4C2C(=O)C2C4C3C21 | 10.1016/j.bmc.2013.07.045 | ||
| 73350823 | 102503 | 0 | None | -83 | 9 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 509 | 8 | 1 | 5 | 3.7 | O=C(Cc1ccc(OC2CCNCC2)cc1OCCF)N1CCC(N2C(=O)CCc3ccccc32)CC1 | 10.1016/j.bmcl.2013.07.045 | ||
| CHEMBL2424668 | 102503 | 0 | None | -83 | 9 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 509 | 8 | 1 | 5 | 3.7 | O=C(Cc1ccc(OC2CCNCC2)cc1OCCF)N1CCC(N2C(=O)CCc3ccccc32)CC1 | 10.1016/j.bmcl.2013.07.045 | ||
| CHEMBL3040578 | 102503 | 0 | None | -83 | 9 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 509 | 8 | 1 | 5 | 3.7 | O=C(Cc1ccc(OC2CCNCC2)cc1OCCF)N1CCC(N2C(=O)CCc3ccccc32)CC1 | 10.1016/j.bmcl.2013.07.045 | ||
| 11013666 | 59402 | 1 | None | -2 | 5 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 354 | 6 | 0 | 2 | 5.2 | CN(C)CCC1=C(C(c2ccccc2)c2ccccn2)c2ccccc2C1 | 10.1021/jm020895l | ||
| CHEMBL171102 | 59402 | 1 | None | -2 | 5 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 354 | 6 | 0 | 2 | 5.2 | CN(C)CCC1=C(C(c2ccccc2)c2ccccn2)c2ccccc2C1 | 10.1021/jm020895l | ||
| 154059 | 3610 | 51 | None | -5 | 8 | Human | 6.9 | pKi | = | 6.9 | 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 | -5 | 8 | Human | 6.9 | pKi | = | 6.9 | 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 | -5 | 8 | Human | 6.9 | pKi | = | 6.9 | 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 | -5 | 8 | Human | 6.9 | pKi | = | 6.9 | 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 | -5 | 8 | Human | 6.9 | pKi | = | 6.9 | 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 | ||
| 137642607 | 158494 | 0 | None | -660 | 8 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 348 | 5 | 0 | 2 | 4.2 | O=C1CCc2ccccc2N1CCCN1CCC(c2ccccc2)CC1 | 10.1021/acs.jmedchem.8b00265 | ||
| CHEMBL4091231 | 158494 | 0 | None | -660 | 8 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 348 | 5 | 0 | 2 | 4.2 | O=C1CCc2ccccc2N1CCCN1CCC(c2ccccc2)CC1 | 10.1021/acs.jmedchem.8b00265 | ||
| 162353388 | 180955 | 0 | None | -2 | 4 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 288 | 4 | 1 | 3 | 1.8 | O=C(CCN1CCCc2ccccc21)N1CCC[C@H]1CO | 10.1016/j.bmcl.2020.127632 | ||
| CHEMBL4758633 | 180955 | 0 | None | -2 | 4 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 288 | 4 | 1 | 3 | 1.8 | O=C(CCN1CCCc2ccccc21)N1CCC[C@H]1CO | 10.1016/j.bmcl.2020.127632 | ||
| 2398 | 951 | 62 | None | -1 | 29 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | nan | ||
| 2801 | 951 | 62 | None | -1 | 29 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | nan | ||
| 701 | 951 | 62 | None | -1 | 29 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | nan | ||
| CHEMBL415 | 951 | 62 | None | -1 | 29 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | nan | ||
| DB01242 | 951 | 62 | None | -1 | 29 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | nan | ||
| 1971 | 2846 | 38 | None | -3 | 30 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | nan | ||
| 2404 | 2846 | 38 | None | -3 | 30 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | nan | ||
| 4543 | 2846 | 38 | None | -3 | 30 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | nan | ||
| CHEMBL445 | 2846 | 38 | None | -3 | 30 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | nan | ||
| DB00540 | 2846 | 38 | None | -3 | 30 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | nan | ||
| 4134 | 72657 | 12 | None | -8 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 342 | 8 | 1 | 3 | 3.0 | CC[N+](C)(CC)CCOC(=O)C(O)(c1ccccc1)c1ccccc1 | 10.1016/j.bmc.2013.01.072 | ||
| CHEMBL1996652 | 72657 | 12 | None | -8 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 342 | 8 | 1 | 3 | 3.0 | CC[N+](C)(CC)CCOC(=O)C(O)(c1ccccc1)c1ccccc1 | 10.1016/j.bmc.2013.01.072 | ||
| CHEMBL2106570 | 72657 | 12 | None | -8 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 342 | 8 | 1 | 3 | 3.0 | CC[N+](C)(CC)CCOC(=O)C(O)(c1ccccc1)c1ccccc1 | 10.1016/j.bmc.2013.01.072 | ||
| 164610746 | 188443 | 0 | None | -34 | 5 | Human | 7.9 | pKi | = | 7.9 | 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 | -34 | 5 | Human | 7.9 | pKi | = | 7.9 | 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 | -34 | 5 | Human | 7.9 | pKi | = | 7.9 | 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 | ||
| 2200 | 3109 | 46 | None | -2 | 13 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1016/j.bmc.2008.06.025 | ||
| 328 | 3109 | 46 | None | -2 | 13 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1016/j.bmc.2008.06.025 | ||
| 4848 | 3109 | 46 | None | -2 | 13 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1016/j.bmc.2008.06.025 | ||
| CHEMBL9967 | 3109 | 46 | None | -2 | 13 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1016/j.bmc.2008.06.025 | ||
| DB00670 | 3109 | 46 | None | -2 | 13 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1016/j.bmc.2008.06.025 | ||
| 10092649 | 193049 | 56 | None | -11 | 9 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 404 | 4 | 1 | 4 | 3.9 | Cc1ccccc1CN1CCC(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1 | 10.1021/jm100697g | ||
| CHEMBL522460 | 193049 | 56 | None | -11 | 9 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 404 | 4 | 1 | 4 | 3.9 | Cc1ccccc1CN1CCC(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1 | 10.1021/jm100697g | ||
| 611037 | 203671 | 1 | None | -2 | 4 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 399 | 4 | 1 | 5 | 2.2 | O=C1Nc2cccnc2N(C(=O)CN2CCN(CCCl)CC2)c2ccccc21 | 10.1021/jm00111a032 | ||
| CHEMBL67532 | 203671 | 1 | None | -2 | 4 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 399 | 4 | 1 | 5 | 2.2 | O=C1Nc2cccnc2N(C(=O)CN2CCN(CCCl)CC2)c2ccccc21 | 10.1021/jm00111a032 | ||
| 71452387 | 83774 | 0 | None | -1 | 7 | Human | 5.9 | pKi | = | 5.9 | 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 | 5.9 | pKi | = | 5.9 | 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 | 5.9 | pKi | = | 5.9 | 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 | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 309 | 2 | 1 | 4 | 1.7 | OC12C3C4CC5C6C4C1C6C(C53)N2Cc1ccc2c(c1)OCO2 | 10.1016/j.bmc.2013.07.045 | ||
| 73347826 | 92513 | 0 | None | 1 | 7 | Human | 5.9 | pKi | = | 5.9 | 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 | 1 | 7 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 266 | 4 | 1 | 2 | 2.4 | c1ccc(CCN[C@H]2C3C4CC5C6C4CC3C6C52)nc1 | 10.1016/j.bmc.2013.07.045 | ||
| CHEMBL5092747 | 215362 | 0 | None | -6 | 5 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | None | None | None | CC(=O)Nc1ccc(-c2cc(-c3ccccc3)nc3cc(C(=O)NCCCn4ccnc4)nn23)cc1 | 10.6019/CHEMBL5058647 | ||||
| CHEMBL5092747 | 215362 | 0 | None | -6 | 5 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | None | None | None | CC(=O)Nc1ccc(-c2cc(-c3ccccc3)nc3cc(C(=O)NCCCn4ccnc4)nn23)cc1 | 10.6019/CHEMBL5058647 | ||||
| 11001809 | 59051 | 0 | None | -3 | 5 | Human | 4.9 | pKi | = | 4.9 | 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 | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 322 | 6 | 0 | 4 | 2.7 | CN(C)CCOC(=O)C1=C(Cc2cccnc2)c2ccccc2C1 | 10.1021/jm020895l | ||
| 11112362 | 4927 | 0 | None | -1 | 5 | Human | 5.9 | pKi | = | 5.9 | 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 | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 410 | 3 | 1 | 3 | 5.5 | COc1ccc2c(c1)CCN1Cc3c(ccc4[nH]c(C)c(Cc5ccccc5)c34)OC21 | 10.1021/jm011116o | ||
| 56672197 | 66532 | 0 | None | 2 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 245 | 2 | 0 | 1 | 3.6 | Fc1cccc(CN2C3CC4CC(C3)CC2C4)c1 | 10.1016/j.bmcl.2011.07.028 | ||
| CHEMBL1824785 | 66532 | 0 | None | 2 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 245 | 2 | 0 | 1 | 3.6 | Fc1cccc(CN2C3CC4CC(C3)CC2C4)c1 | 10.1016/j.bmcl.2011.07.028 | ||
| CHEMBL1852489 | 66532 | 0 | None | 2 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 245 | 2 | 0 | 1 | 3.6 | Fc1cccc(CN2C3CC4CC(C3)CC2C4)c1 | 10.1016/j.bmcl.2011.07.028 | ||
| 108993425 | 181734 | 1 | None | -3 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 244 | 2 | 0 | 2 | 2.1 | O=C(CN1CCCc2ccccc21)N1CCCC1 | 10.1016/j.bmcl.2020.127632 | ||
| CHEMBL4777543 | 181734 | 1 | None | -3 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 244 | 2 | 0 | 2 | 2.1 | O=C(CN1CCCc2ccccc21)N1CCCC1 | 10.1016/j.bmcl.2020.127632 | ||
| 24894637 | 188695 | 0 | None | -5 | 5 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 180 | 1 | 0 | 1 | 2.5 | Cc1ccc([C@H]2CCC[N+]2(C)C)o1 | 10.1021/jm800145d | ||
| CHEMBL504733 | 188695 | 0 | None | -5 | 5 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 180 | 1 | 0 | 1 | 2.5 | Cc1ccc([C@H]2CCC[N+]2(C)C)o1 | 10.1021/jm800145d | ||
| CHEMBL553434 | 188695 | 0 | None | -5 | 5 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 180 | 1 | 0 | 1 | 2.5 | Cc1ccc([C@H]2CCC[N+]2(C)C)o1 | 10.1021/jm800145d | ||
| 11039424 | 78887 | 1 | None | -45 | 5 | Human | 7.9 | pKi | = | 7.9 | 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 | -45 | 5 | Human | 7.9 | pKi | = | 7.9 | 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 | ||
| 5282593 | 55228 | 26 | None | 1 | 5 | Human | 7.9 | pKi | = | 7.9 | 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 | 1 | 5 | Human | 7.9 | pKi | = | 7.9 | 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 | 1 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 275 | 3 | 1 | 4 | 1.9 | CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)C(O)c1ccccc1)C2 | nan | ||
| 44627740 | 198735 | 0 | None | -11 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 339 | 4 | 1 | 3 | 4.9 | CN1CCCC1c1ccc(C(O)(c2ccccc2)C2CCCCC2)o1 | 10.1021/jm901048j | ||
| CHEMBL583051 | 198735 | 0 | None | -11 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 339 | 4 | 1 | 3 | 4.9 | CN1CCCC1c1ccc(C(O)(c2ccccc2)C2CCCCC2)o1 | 10.1021/jm901048j | ||
| 10139614 | 4999 | 0 | None | 19 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 462 | 8 | 1 | 5 | 5.9 | CCCCCCc1[nH]c2ccc3c(c2c1C(=O)OCC)CN1CCc2cc(OC)ccc2C1O3 | 10.1021/jm011116o | ||
| CHEMBL105160 | 4999 | 0 | None | 19 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 462 | 8 | 1 | 5 | 5.9 | CCCCCCc1[nH]c2ccc3c(c2c1C(=O)OCC)CN1CCc2cc(OC)ccc2C1O3 | 10.1021/jm011116o | ||
| 118719924 | 115752 | 0 | None | 2 | 5 | Human | 7.8 | pKi | = | 7.8 | 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 | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 649 | 20 | 0 | 7 | 8.4 | CN1CCC=C(c2nsnc2OCCCCCCCCCCCCCC2CCN(CCCN3C(=O)CCc4ccccc43)CC2)C1 | 10.1021/jm501173q | ||
| 9889312 | 78401 | 0 | None | -2 | 5 | Human | 7.8 | pKi | = | 7.8 | 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 | -2 | 5 | Human | 7.8 | pKi | = | 7.8 | 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 | ||
| 3013846 | 188215 | 2 | None | -1 | 5 | Human | 6.9 | pKi | = | 6.9 | 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 | -1 | 5 | Human | 6.9 | pKi | = | 6.9 | 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 | ||
| 11057 | 176125 | 23 | None | 1 | 20 | Human | 6.9 | pKi | = | 6.9 | 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 | 6.9 | pKi | = | 6.9 | 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 | 6.9 | pKi | = | 6.9 | 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 | 6.9 | pKi | = | 6.9 | 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 | ||
| 289 | 242 | 12 | None | -128 | 14 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 301 | 8 | 0 | 2 | 4.9 | CCCCC1CCN(CC1)CCCC(=O)c1ccccc1C | 10.1021/jm100697g | ||
| 9948320 | 242 | 12 | None | -128 | 14 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 301 | 8 | 0 | 2 | 4.9 | CCCCC1CCN(CC1)CCCC(=O)c1ccccc1C | 10.1021/jm100697g | ||
| CHEMBL1242950 | 242 | 12 | None | -128 | 14 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 301 | 8 | 0 | 2 | 4.9 | CCCCC1CCN(CC1)CCCC(=O)c1ccccc1C | 10.1021/jm100697g | ||
| 44439396 | 91782 | 0 | None | -7 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 348 | 3 | 0 | 3 | 4.3 | CC(=O)OC1CCCc2ccc(/N=C/N3CCc4ccccc4C3)cc21 | 10.1016/j.bmcl.2007.01.093 | ||
| CHEMBL241281 | 91782 | 0 | None | -7 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 348 | 3 | 0 | 3 | 4.3 | CC(=O)OC1CCCc2ccc(/N=C/N3CCc4ccccc4C3)cc21 | 10.1016/j.bmcl.2007.01.093 | ||
| 44318817 | 169090 | 0 | None | -5 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 197 | 2 | 0 | 3 | 1.6 | CCC(=O)OC1CC2CCCC1N2C | 10.1021/jm9904001 | ||
| CHEMBL440138 | 169090 | 0 | None | -5 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 197 | 2 | 0 | 3 | 1.6 | CCC(=O)OC1CC2CCCC1N2C | 10.1021/jm9904001 | ||
| 9308 | 17722 | 21 | None | -10 | 7 | Human | 5.9 | pKi | = | 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 | 10.1021/jm9904001 | ||
| CHEMBL1255785 | 17722 | 21 | None | -10 | 7 | Human | 5.9 | pKi | = | 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 | 10.1021/jm9904001 | ||
| CHEMBL12587 | 17722 | 21 | None | -10 | 7 | Human | 5.9 | pKi | = | 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 | 10.1021/jm9904001 | ||
| CHEMBL292911 | 17722 | 21 | None | -10 | 7 | Human | 5.9 | pKi | = | 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 | 10.1021/jm9904001 | ||
| 9308 | 17722 | 21 | None | -15 | 7 | Rat | 5.9 | pKi | = | 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 | 10.1021/jm9705115 | ||
| CHEMBL1255785 | 17722 | 21 | None | -15 | 7 | Rat | 5.9 | pKi | = | 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 | 10.1021/jm9705115 | ||
| CHEMBL12587 | 17722 | 21 | None | -15 | 7 | Rat | 5.9 | pKi | = | 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 | 10.1021/jm9705115 | ||
| CHEMBL292911 | 17722 | 21 | None | -15 | 7 | Rat | 5.9 | pKi | = | 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 | 10.1021/jm9705115 | ||
| 1530 | 2169 | 50 | None | -32 | 21 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | ||
| 3827 | 2169 | 50 | None | -32 | 21 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | ||
| 7206 | 2169 | 50 | None | -32 | 21 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | ||
| CHEMBL534 | 2169 | 50 | None | -32 | 21 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | ||
| DB00920 | 2169 | 50 | None | -32 | 21 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | ||
| 164619081 | 188513 | 0 | None | -17 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 718 | 18 | 8 | 9 | 1.9 | CC(=O)N[C@H](CCCN)C(=O)NC(=O)[C@H](CCCNC(=N)N)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4872720 | 188513 | 0 | None | -17 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 718 | 18 | 8 | 9 | 1.9 | CC(=O)N[C@H](CCCN)C(=O)NC(=O)[C@H](CCCNC(=N)N)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028531 | 188513 | 0 | None | -17 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 718 | 18 | 8 | 9 | 1.9 | CC(=O)N[C@H](CCCN)C(=O)NC(=O)[C@H](CCCNC(=N)N)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 164621814 | 188532 | 0 | None | -47 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 718 | 18 | 8 | 9 | 1.9 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](CCCNC(=N)N)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4867301 | 188532 | 0 | None | -47 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 718 | 18 | 8 | 9 | 1.9 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](CCCNC(=N)N)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028667 | 188532 | 0 | None | -47 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 718 | 18 | 8 | 9 | 1.9 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](CCCNC(=N)N)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 145961495 | 161422 | 0 | None | -2 | 5 | Human | 6.9 | pKi | = | 6.9 | 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 | ||
| CHEMBL4127373 | 161422 | 0 | None | -2 | 5 | Human | 6.9 | pKi | = | 6.9 | 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 | ||
| 11120347 | 120703 | 0 | None | -2 | 5 | Human | 5.9 | pKi | = | 5.9 | 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 | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 306 | 5 | 0 | 2 | 4.5 | Cc1ccc2c(c1)CC(CCN(C)C)=C2C(C)c1ccccn1 | 10.1021/jm020895l | ||
| 162353391 | 180797 | 0 | None | -1 | 4 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 282 | 4 | 1 | 4 | 2.3 | O=C(CCN1CCCc2ccccc21)Nc1cccnn1 | 10.1016/j.bmcl.2020.127632 | ||
| CHEMBL4756873 | 180797 | 0 | None | -1 | 4 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 282 | 4 | 1 | 4 | 2.3 | O=C(CCN1CCCc2ccccc21)Nc1cccnn1 | 10.1016/j.bmcl.2020.127632 | ||
| 36381 | 12910 | 5 | None | -4 | 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 | -4 | 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 | -4 | 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 | -4 | 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 | ||
| 155521383 | 176402 | 0 | None | -13 | 5 | Human | 6.8 | pKi | = | 6.8 | 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 | -13 | 5 | Human | 6.8 | pKi | = | 6.8 | 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 | -13 | 5 | Human | 6.8 | pKi | = | 6.8 | 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 | ||
| 164621861 | 188533 | 0 | None | -32 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 704 | 17 | 8 | 9 | 1.5 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](CCCNC(=N)N)NCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4868124 | 188533 | 0 | None | -32 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 704 | 17 | 8 | 9 | 1.5 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](CCCNC(=N)N)NCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028673 | 188533 | 0 | None | -32 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 704 | 17 | 8 | 9 | 1.5 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](CCCNC(=N)N)NCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 639794 | 98741 | 1 | None | -1 | 5 | Human | 4.8 | pKi | = | 4.8 | 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 | -1 | 5 | Human | 4.8 | pKi | = | 4.8 | 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 | ||
| 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 | ||
| 2683 | 102861 | 25 | None | -2 | 16 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 304 | 15 | 0 | 0 | 6.5 | CCCCCCCCCCCCCCCC[n+]1ccccc1 | nan | ||
| CHEMBL305906 | 102861 | 25 | None | -2 | 16 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 304 | 15 | 0 | 0 | 6.5 | CCCCCCCCCCCCCCCC[n+]1ccccc1 | nan | ||
| CHEMBL334255 | 102861 | 25 | None | -2 | 16 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 304 | 15 | 0 | 0 | 6.5 | CCCCCCCCCCCCCCCC[n+]1ccccc1 | nan | ||
| 11004046 | 5422 | 0 | None | 33 | 5 | Human | 7.8 | pKi | = | 7.8 | 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 | 33 | 5 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 406 | 3 | 0 | 6 | 4.1 | CCOC(=O)c1c(C)n(C)c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3 | 10.1021/jm011116o | ||
| 11079969 | 163833 | 0 | None | 26 | 5 | Human | 7.8 | pKi | = | 7.8 | 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 | 26 | 5 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 404 | 4 | 1 | 5 | 4.3 | C=CCOC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3 | 10.1021/jm011116o | ||
| 71452793 | 79626 | 0 | None | -1 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 425 | 6 | 0 | 4 | 5.1 | COc1ccc([S@+]([O-])c2ccc(C(=O)C3CCN(C4CCCCC4)CC3)cc2)cc1 | 10.1016/s0960-894x(00)00437-6 | ||
| CHEMBL2115127 | 79626 | 0 | None | -1 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 425 | 6 | 0 | 4 | 5.1 | COc1ccc([S@+]([O-])c2ccc(C(=O)C3CCN(C4CCCCC4)CC3)cc2)cc1 | 10.1016/s0960-894x(00)00437-6 | ||
| 10963509 | 18464 | 1 | None | -1 | 5 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 687 | 17 | 0 | 6 | 8.6 | COc1ccccc1CN1CCC(C2CCN(CCCCCCCCN3CCC(C4CCN(Cc5ccccc5OC)CC4)CC3)CC2)CC1 | 10.1021/jm0155594 | ||
| CHEMBL127273 | 18464 | 1 | None | -1 | 5 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 687 | 17 | 0 | 6 | 8.6 | COc1ccccc1CN1CCC(C2CCN(CCCCCCCCN3CCC(C4CCN(Cc5ccccc5OC)CC4)CC3)CC2)CC1 | 10.1021/jm0155594 | ||
| 44627746 | 14010 | 0 | None | -7 | 5 | Human | 7.8 | pKi | = | 7.8 | 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 | -7 | 5 | Human | 7.8 | pKi | = | 7.8 | 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 | -7 | 5 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 354 | 4 | 1 | 2 | 5.0 | C[N+]1(C)CCCC1c1ccc(C(O)(c2ccccc2)C2CCCCC2)o1 | 10.1021/jm901048j | ||
| 164614388 | 188473 | 0 | None | -6 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 889 | 23 | 12 | 11 | 0.1 | CC(=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4848683 | 188473 | 0 | None | -6 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 889 | 23 | 12 | 11 | 0.1 | CC(=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028251 | 188473 | 0 | None | -6 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 889 | 23 | 12 | 11 | 0.1 | CC(=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 70681307 | 74427 | 0 | None | -3 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 406 | 4 | 1 | 4 | 3.7 | CN(C)[C@H]1CCCC[C@H]1N(C)CC(=O)N1c2ccccc2NC(=O)c2ccccc21 | 10.1016/j.bmc.2008.06.025 | ||
| CHEMBL2021479 | 74427 | 0 | None | -3 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 406 | 4 | 1 | 4 | 3.7 | CN(C)[C@H]1CCCC[C@H]1N(C)CC(=O)N1c2ccccc2NC(=O)c2ccccc21 | 10.1016/j.bmc.2008.06.025 | ||
| CHEMBL2027890 | 74427 | 0 | None | -3 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 406 | 4 | 1 | 4 | 3.7 | CN(C)[C@H]1CCCC[C@H]1N(C)CC(=O)N1c2ccccc2NC(=O)c2ccccc21 | 10.1016/j.bmc.2008.06.025 | ||
| 44593625 | 188106 | 0 | None | -5 | 5 | Human | 7.8 | pKi | = | 7.8 | 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 | -5 | 5 | Human | 7.8 | pKi | = | 7.8 | 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 | -5 | 5 | Human | 7.8 | pKi | = | 7.8 | 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 | ||
| 14939893 | 9502 | 0 | None | -4 | 5 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 621 | 24 | 3 | 7 | 6.2 | CN(CCCCCCN)CCCCCCCCN(C)CCCCCCNCC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm981038d | ||
| CHEMBL112244 | 9502 | 0 | None | -4 | 5 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 621 | 24 | 3 | 7 | 6.2 | CN(CCCCCCN)CCCCCCCCN(C)CCCCCCNCC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm981038d | ||
| 16086065 | 79768 | 0 | None | -53 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 622 | 10 | 3 | 5 | 3.9 | O=C(NCCC1CCNCC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1 | 10.1021/jm051205r | ||
| CHEMBL211976 | 79768 | 0 | None | -53 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 622 | 10 | 3 | 5 | 3.9 | O=C(NCCC1CCNCC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1 | 10.1021/jm051205r | ||
| 57326233 | 77157 | 0 | None | -9 | 5 | Human | 6.8 | pKi | = | 6.8 | 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 | -9 | 5 | Human | 6.8 | pKi | = | 6.8 | 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 | -9 | 5 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 312 | 4 | 0 | 2 | 3.1 | C[N+](C)(C)C[C@@H]1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm2013216 | ||
| 164626977 | 188575 | 0 | None | -9 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 532 | 8 | 2 | 6 | 2.9 | NCCN1CCN(C(=O)CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4874412 | 188575 | 0 | None | -9 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 532 | 8 | 2 | 6 | 2.9 | NCCN1CCN(C(=O)CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028969 | 188575 | 0 | None | -9 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 532 | 8 | 2 | 6 | 2.9 | NCCN1CCN(C(=O)CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 44593621 | 193273 | 0 | None | -3 | 5 | Human | 5.8 | pKi | = | 5.8 | 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 | -3 | 5 | Human | 5.8 | pKi | = | 5.8 | 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 | ||
| 118719928 | 115756 | 0 | None | 1 | 5 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 414 | 13 | 1 | 3 | 5.2 | O=C1CCc2ccccc2N1CCCN1CCC(CCCCCCCCCO)CC1 | 10.1021/jm501173q | ||
| CHEMBL3354075 | 115756 | 0 | None | 1 | 5 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 414 | 13 | 1 | 3 | 5.2 | O=C1CCc2ccccc2N1CCCN1CCC(CCCCCCCCCO)CC1 | 10.1021/jm501173q | ||
| 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 | ||
| 46682613 | 181132 | 1 | None | -2 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 286 | 4 | 1 | 2 | 3.3 | O=C(CCN1CCCc2ccccc21)NC1CCCCC1 | 10.1016/j.bmcl.2020.127632 | ||
| CHEMBL4760823 | 181132 | 1 | None | -2 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 286 | 4 | 1 | 2 | 3.3 | O=C(CCN1CCCc2ccccc21)NC1CCCCC1 | 10.1016/j.bmcl.2020.127632 | ||
| 2726 | 916 | 68 | None | -25 | 73 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | 10.1021/jm070516u | ||
| 621 | 916 | 68 | None | -25 | 73 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | 10.1021/jm070516u | ||
| 83 | 916 | 68 | None | -25 | 73 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | 10.1021/jm070516u | ||
| CHEMBL71 | 916 | 68 | None | -25 | 73 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | 10.1021/jm070516u | ||
| DB00477 | 916 | 68 | None | -25 | 73 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | 10.1021/jm070516u | ||
| 44627741 | 197659 | 0 | None | -3 | 5 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 317 | 4 | 0 | 2 | 5.2 | CN1CCCC1c1ccc(C(c2ccccc2)c2ccccc2)o1 | 10.1021/jm901048j | ||
| CHEMBL571123 | 197659 | 0 | None | -3 | 5 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 317 | 4 | 0 | 2 | 5.2 | CN1CCCC1c1ccc(C(c2ccccc2)c2ccccc2)o1 | 10.1021/jm901048j | ||
| 101720828 | 97091 | 0 | None | -16 | 5 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 1375 | 31 | 4 | 16 | 12.2 | CN(CCCCCCCCN(C)CCCCCCN(CC(=O)N1c2ccccc2NC(=O)c2cccnc21)CC(=O)N1c2ccccc2NC(=O)c2cccnc21)CCCCCCN(CC(=O)N1c2ccccc2NC(=O)c2cccnc21)CC(=O)N1c2ccccc2NC(=O)c2cccnc21 | 10.1021/jm981038d | ||
| 16147087 | 97091 | 0 | None | -16 | 5 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 1375 | 31 | 4 | 16 | 12.2 | CN(CCCCCCCCN(C)CCCCCCN(CC(=O)N1c2ccccc2NC(=O)c2cccnc21)CC(=O)N1c2ccccc2NC(=O)c2cccnc21)CCCCCCN(CC(=O)N1c2ccccc2NC(=O)c2cccnc21)CC(=O)N1c2ccccc2NC(=O)c2cccnc21 | 10.1021/jm981038d | ||
| CHEMBL1202002 | 97091 | 0 | None | -16 | 5 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 1375 | 31 | 4 | 16 | 12.2 | CN(CCCCCCCCN(C)CCCCCCN(CC(=O)N1c2ccccc2NC(=O)c2cccnc21)CC(=O)N1c2ccccc2NC(=O)c2cccnc21)CCCCCCN(CC(=O)N1c2ccccc2NC(=O)c2cccnc21)CC(=O)N1c2ccccc2NC(=O)c2cccnc21 | 10.1021/jm981038d | ||
| CHEMBL267643 | 97091 | 0 | None | -16 | 5 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 1375 | 31 | 4 | 16 | 12.2 | CN(CCCCCCCCN(C)CCCCCCN(CC(=O)N1c2ccccc2NC(=O)c2cccnc21)CC(=O)N1c2ccccc2NC(=O)c2cccnc21)CCCCCCN(CC(=O)N1c2ccccc2NC(=O)c2cccnc21)CC(=O)N1c2ccccc2NC(=O)c2cccnc21 | 10.1021/jm981038d | ||
| 10606253 | 157249 | 0 | None | -63 | 5 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 1152 | 27 | 4 | 13 | 9.2 | CN(CCCCCCCCN(C)C(=O)CCCCCN(CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)C(=O)CCCCCNCC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm981038d | ||
| CHEMBL407678 | 157249 | 0 | None | -63 | 5 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 1152 | 27 | 4 | 13 | 9.2 | CN(CCCCCCCCN(C)C(=O)CCCCCN(CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)C(=O)CCCCCNCC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm981038d | ||
| 16094793 | 83293 | 0 | None | -2 | 5 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 467 | 16 | 0 | 12 | 3.1 | COc1nsc(OCCCOCCCOCCCOc2nsnc2-c2cccnc2)n1 | 10.1021/jm0606995 | ||
| CHEMBL219118 | 83293 | 0 | None | -2 | 5 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 467 | 16 | 0 | 12 | 3.1 | COc1nsc(OCCCOCCCOCCCOc2nsnc2-c2cccnc2)n1 | 10.1021/jm0606995 | ||
| 16094810 | 137861 | 0 | None | -1 | 5 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 467 | 16 | 0 | 12 | 3.1 | COc1nsnc1OCCCOCCCOCCCOc1nsnc1-c1cccnc1 | 10.1021/jm0606995 | ||
| CHEMBL376295 | 137861 | 0 | None | -1 | 5 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 467 | 16 | 0 | 12 | 3.1 | COc1nsnc1OCCCOCCCOCCCOc1nsnc1-c1cccnc1 | 10.1021/jm0606995 | ||
| 109013312 | 180110 | 1 | None | -5 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 258 | 3 | 0 | 2 | 2.5 | O=C(CCN1CCCc2ccccc21)N1CCCC1 | 10.1016/j.bmcl.2020.127632 | ||
| CHEMBL4748774 | 180110 | 1 | None | -5 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 258 | 3 | 0 | 2 | 2.5 | O=C(CCN1CCCc2ccccc21)N1CCCC1 | 10.1016/j.bmcl.2020.127632 | ||
| 162353375 | 179871 | 0 | None | -4 | 4 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 274 | 4 | 0 | 3 | 1.7 | COC1CN(C(=O)CCN2CCCc3ccccc32)C1 | 10.1016/j.bmcl.2020.127632 | ||
| CHEMBL4745885 | 179871 | 0 | None | -4 | 4 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 274 | 4 | 0 | 3 | 1.7 | COC1CN(C(=O)CCN2CCCc3ccccc32)C1 | 10.1016/j.bmcl.2020.127632 | ||
| 156015141 | 178243 | 0 | None | 1 | 5 | Human | 7.8 | pKi | = | 7.8 | 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 | 1 | 5 | Human | 7.8 | pKi | = | 7.8 | 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 | 1 | 5 | Human | 7.8 | pKi | = | 7.8 | 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 | ||
| 10865439 | 20593 | 0 | None | -1 | 5 | Human | 7.8 | pKi | = | 7.8 | 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 | -1 | 5 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 715 | 15 | 0 | 6 | 7.6 | COc1ccccc1CN1CCC(C2CCN(C(=O)CCCCCCC(=O)N3CCC(C4CCN(Cc5ccccc5OC)CC4)CC3)CC2)CC1 | 10.1021/jm0155594 | ||
| 302 | 2956 | 25 | None | -7 | 8 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | 10.1021/jm9904001 | ||
| 4630 | 2956 | 25 | None | -7 | 8 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | 10.1021/jm9904001 | ||
| CHEMBL7634 | 2956 | 25 | None | -7 | 8 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | 10.1021/jm9904001 | ||
| 44439404 | 91756 | 0 | None | -15 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 334 | 3 | 0 | 3 | 4.0 | CC(=O)OC1CCc2ccc(/N=C/N3CCc4ccccc4C3)cc21 | 10.1016/j.bmcl.2007.01.093 | ||
| CHEMBL241103 | 91756 | 0 | None | -15 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 334 | 3 | 0 | 3 | 4.0 | CC(=O)OC1CCc2ccc(/N=C/N3CCc4ccccc4C3)cc21 | 10.1016/j.bmcl.2007.01.093 | ||
| 1726 | 2480 | 13 | None | -32 | 5 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 160 | 3 | 0 | 2 | 0.6 | CC(C[N+](C)(C)C)OC(=O)C | 10.1021/jm9705115 | ||
| 1993 | 2480 | 13 | None | -32 | 5 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 160 | 3 | 0 | 2 | 0.6 | CC(C[N+](C)(C)C)OC(=O)C | 10.1021/jm9705115 | ||
| 7438 | 2480 | 13 | None | -32 | 5 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 160 | 3 | 0 | 2 | 0.6 | CC(C[N+](C)(C)C)OC(=O)C | 10.1021/jm9705115 | ||
| CHEMBL978 | 2480 | 13 | None | -32 | 5 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 160 | 3 | 0 | 2 | 0.6 | CC(C[N+](C)(C)C)OC(=O)C | 10.1021/jm9705115 | ||
| DB06709 | 2480 | 13 | None | -32 | 5 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 160 | 3 | 0 | 2 | 0.6 | CC(C[N+](C)(C)C)OC(=O)C | 10.1021/jm9705115 | ||
| 1726 | 2480 | 13 | None | -12 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 160 | 3 | 0 | 2 | 0.6 | CC(C[N+](C)(C)C)OC(=O)C | 10.1021/jm9705115 | ||
| 1993 | 2480 | 13 | None | -12 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 160 | 3 | 0 | 2 | 0.6 | CC(C[N+](C)(C)C)OC(=O)C | 10.1021/jm9705115 | ||
| 7438 | 2480 | 13 | None | -12 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 160 | 3 | 0 | 2 | 0.6 | CC(C[N+](C)(C)C)OC(=O)C | 10.1021/jm9705115 | ||
| CHEMBL978 | 2480 | 13 | None | -12 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 160 | 3 | 0 | 2 | 0.6 | CC(C[N+](C)(C)C)OC(=O)C | 10.1021/jm9705115 | ||
| DB06709 | 2480 | 13 | None | -12 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 160 | 3 | 0 | 2 | 0.6 | CC(C[N+](C)(C)C)OC(=O)C | 10.1021/jm9705115 | ||
| 2812 | 4747 | 101 | None | -19 | 34 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 344 | 4 | 0 | 2 | 5.4 | Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 | nan | ||
| CHEMBL104 | 4747 | 101 | None | -19 | 34 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 344 | 4 | 0 | 2 | 5.4 | Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 | nan | ||
| 145960592 | 161337 | 0 | None | -3 | 5 | Human | 6.8 | pKi | = | 6.8 | 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 | -3 | 5 | Human | 6.8 | pKi | = | 6.8 | 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 | ||
| 122387447 | 138257 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 403 | 3 | 2 | 5 | 2.7 | COc1nc2sc(C(=O)NC3CC3)c(N)c2c(C)c1I | 10.1039/C5MD00334B | ||
| CHEMBL3770686 | 138257 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 403 | 3 | 2 | 5 | 2.7 | COc1nc2sc(C(=O)NC3CC3)c(N)c2c(C)c1I | 10.1039/C5MD00334B | ||
| 137661377 | 159185 | 0 | None | -316 | 8 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 314 | 6 | 0 | 2 | 3.9 | CCCC1CCN(CCCN2C(=O)CCc3ccccc32)CC1 | 10.1021/acs.jmedchem.8b00265 | ||
| CHEMBL4098720 | 159185 | 0 | None | -316 | 8 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 314 | 6 | 0 | 2 | 3.9 | CCCC1CCN(CCCN2C(=O)CCc3ccccc32)CC1 | 10.1021/acs.jmedchem.8b00265 | ||
| 107782 | 14436 | 18 | None | -1 | 5 | Human | 5.8 | pKi | = | 5.8 | 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 | -1 | 5 | Human | 5.8 | pKi | = | 5.8 | 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 | -1 | 5 | Human | 5.8 | pKi | = | 5.8 | 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 | ||
| 71449073 | 78553 | 0 | None | -4 | 4 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 338 | 2 | 2 | 6 | 0.6 | O=C1Nc2cccnc2N(C(=O)CN2CCNCC2)c2ncccc21 | 10.1021/jm00111a032 | ||
| CHEMBL2112217 | 78553 | 0 | None | -4 | 4 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 338 | 2 | 2 | 6 | 0.6 | O=C1Nc2cccnc2N(C(=O)CN2CCNCC2)c2ncccc21 | 10.1021/jm00111a032 | ||
| 44437298 | 11855 | 0 | None | -7 | 5 | Human | 5.8 | pKi | = | 5.8 | 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 | -7 | 5 | Human | 5.8 | pKi | = | 5.8 | 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 | -7 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 237 | 2 | 0 | 3 | 1.4 | C[N+]1(CC#CCOC2=NOCC2)CCCCC1 | 10.1016/j.bmc.2007.09.003 | ||
| 197842 | 102574 | 3 | None | -56 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 326 | 8 | 0 | 2 | 3.8 | CC[N+](C)(CC)CCOC(=O)C(c1ccccc1)c1ccccc1 | 10.1016/j.bmc.2013.01.072 | ||
| CHEMBL2377385 | 102574 | 3 | None | -56 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 326 | 8 | 0 | 2 | 3.8 | CC[N+](C)(CC)CCOC(=O)C(c1ccccc1)c1ccccc1 | 10.1016/j.bmc.2013.01.072 | ||
| CHEMBL3041160 | 102574 | 3 | None | -56 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 326 | 8 | 0 | 2 | 3.8 | CC[N+](C)(CC)CCOC(=O)C(c1ccccc1)c1ccccc1 | 10.1016/j.bmc.2013.01.072 | ||
| 10043954 | 82249 | 0 | None | -5 | 5 | Human | 5.8 | pKi | = | 5.8 | 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 | -5 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 358 | 3 | 0 | 4 | 3.7 | O=C(OC1CN2CCC1CC2)C1=C/C(=C\c2ccccn2)c2ccccc21 | 10.1016/s0960-894x(01)00186-x | ||
| 10957754 | 59014 | 0 | None | -6 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 306 | 6 | 0 | 2 | 4.5 | CC(C1=C(CCCN(C)C)Cc2ccccc21)c1ccccn1 | 10.1021/jm020895l | ||
| CHEMBL169401 | 59014 | 0 | None | -6 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 306 | 6 | 0 | 2 | 4.5 | CC(C1=C(CCCN(C)C)Cc2ccccc21)c1ccccn1 | 10.1021/jm020895l | ||
| 162353369 | 180771 | 0 | None | -1 | 4 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 288 | 3 | 1 | 3 | 1.8 | O=C(CCN1CCCc2ccccc21)N1CCC(O)CC1 | 10.1016/j.bmcl.2020.127632 | ||
| CHEMBL4756442 | 180771 | 0 | None | -1 | 4 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 288 | 3 | 1 | 3 | 1.8 | O=C(CCN1CCCc2ccccc21)N1CCC(O)CC1 | 10.1016/j.bmcl.2020.127632 | ||
| 57326239 | 77153 | 0 | None | -1 | 5 | Human | 4.8 | pKi | = | 4.8 | 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 | 4.8 | pKi | = | 4.8 | 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 | 4.8 | pKi | = | 4.8 | 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 | ||
| 4601 | 206724 | 35 | None | -1 | 17 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 269 | 6 | 0 | 2 | 3.7 | Cc1ccccc1C(OCCN(C)C)c1ccccc1 | nan | ||
| CHEMBL1201023 | 206724 | 35 | None | -1 | 17 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 269 | 6 | 0 | 2 | 3.7 | Cc1ccccc1C(OCCN(C)C)c1ccccc1 | nan | ||
| CHEMBL900 | 206724 | 35 | None | -1 | 17 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 269 | 6 | 0 | 2 | 3.7 | Cc1ccccc1C(OCCN(C)C)c1ccccc1 | nan | ||
| 155560140 | 176323 | 0 | None | -11 | 5 | Human | 7.8 | pKi | = | 7.8 | 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 | -11 | 5 | Human | 7.8 | pKi | = | 7.8 | 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 | -11 | 5 | Human | 7.8 | pKi | = | 7.8 | 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 | ||
| 5387 | 94850 | 31 | None | -22 | 6 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 370 | 2 | 1 | 5 | 2.5 | Cc1scc2c1N(C(=O)CN1CCN(C)CC1)c1ccccc1NC2=O | 10.1021/jm00111a032 | ||
| CHEMBL253978 | 94850 | 31 | None | -22 | 6 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 370 | 2 | 1 | 5 | 2.5 | Cc1scc2c1N(C(=O)CN1CCN(C)CC1)c1ccccc1NC2=O | 10.1021/jm00111a032 | ||
| 71461681 | 79511 | 0 | None | -5 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 425 | 6 | 0 | 4 | 5.1 | COc1ccc([S@@+]([O-])c2ccc(C(=O)C3CCN(C4CCCCC4)CC3)cc2)cc1 | 10.1016/s0960-894x(00)00437-6 | ||
| CHEMBL2114067 | 79511 | 0 | None | -5 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 425 | 6 | 0 | 4 | 5.1 | COc1ccc([S@@+]([O-])c2ccc(C(=O)C3CCN(C4CCCCC4)CC3)cc2)cc1 | 10.1016/s0960-894x(00)00437-6 | ||
| 122387447 | 138257 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 403 | 3 | 2 | 5 | 2.7 | COc1nc2sc(C(=O)NC3CC3)c(N)c2c(C)c1I | 10.1039/C5MD00334B | ||
| CHEMBL3770686 | 138257 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 403 | 3 | 2 | 5 | 2.7 | COc1nc2sc(C(=O)NC3CC3)c(N)c2c(C)c1I | 10.1039/C5MD00334B | ||
| 15157141 | 92772 | 0 | None | 1 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 373 | 11 | 0 | 3 | 5.6 | CCN(CC)CCCCCOC(=O)C(C)(c1ccccc1)C1CCCCC1 | 10.1021/jm00085a017 | ||
| CHEMBL24369 | 92772 | 0 | None | 1 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 373 | 11 | 0 | 3 | 5.6 | CCN(CC)CCCCCOC(=O)C(C)(c1ccccc1)C1CCCCC1 | 10.1021/jm00085a017 | ||
| 10360219 | 101983 | 0 | None | -1 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 345 | 2 | 0 | 3 | 4.4 | C[C@@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[C@@H](/C=C/[C@H]3CCC[C@H](C)N3C)[C@H]12 | 10.1016/s0960-894x(02)00315-3 | ||
| CHEMBL301670 | 101983 | 0 | None | -1 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 345 | 2 | 0 | 3 | 4.4 | C[C@@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[C@@H](/C=C/[C@H]3CCC[C@H](C)N3C)[C@H]12 | 10.1016/s0960-894x(02)00315-3 | ||
| 132712 | 171774 | 19 | None | -5 | 5 | Human | 6.8 | pKi | = | 6.8 | 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 | -5 | 5 | Human | 6.8 | pKi | = | 6.8 | 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 | ||
| 10595006 | 11413 | 0 | None | -10 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 365 | 7 | 0 | 4 | 4.0 | CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc(OC)cc2)C1 | 10.1021/jm301774u | ||
| CHEMBL1180343 | 11413 | 0 | None | -10 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 365 | 7 | 0 | 4 | 4.0 | CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc(OC)cc2)C1 | 10.1021/jm301774u | ||
| CHEMBL123099 | 11413 | 0 | None | -10 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 365 | 7 | 0 | 4 | 4.0 | CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc(OC)cc2)C1 | 10.1021/jm301774u | ||
| 44299635 | 100541 | 0 | None | -1 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 343 | 0 | 0 | 3 | 3.9 | C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@H]3[C@H](C#C[C@H]3CCC[C@H](C)N3C)[C@@H]12 | 10.1016/s0960-894x(02)00315-3 | ||
| CHEMBL291562 | 100541 | 0 | None | -1 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 343 | 0 | 0 | 3 | 3.9 | C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@H]3[C@H](C#C[C@H]3CCC[C@H](C)N3C)[C@@H]12 | 10.1016/s0960-894x(02)00315-3 | ||
| 162353390 | 180925 | 0 | None | -2 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 302 | 4 | 1 | 3 | 2.1 | O=C(CCN1CCCc2ccccc21)N1CCCC(CO)C1 | 10.1016/j.bmcl.2020.127632 | ||
| CHEMBL4758316 | 180925 | 0 | None | -2 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 302 | 4 | 1 | 3 | 2.1 | O=C(CCN1CCCc2ccccc21)N1CCCC(CO)C1 | 10.1016/j.bmcl.2020.127632 | ||
| 155519621 | 170365 | 0 | None | -54 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 345 | 2 | 2 | 6 | 2.7 | Clc1ccc(C#Cc2nc(N[C@@H]3CCOC3)c3nc[nH]c3n2)s1 | 10.1039/C8MD00317C | ||
| CHEMBL4447908 | 170365 | 0 | None | -54 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 345 | 2 | 2 | 6 | 2.7 | Clc1ccc(C#Cc2nc(N[C@@H]3CCOC3)c3nc[nH]c3n2)s1 | 10.1039/C8MD00317C | ||
| 145960427 | 161426 | 0 | None | -1 | 5 | Human | 6.8 | pKi | = | 6.8 | 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 | -1 | 5 | Human | 6.8 | pKi | = | 6.8 | 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 | ||
| 10066369 | 120232 | 0 | None | -22 | 6 | Human | 5.8 | pKi | = | 5.8 | 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 | -22 | 6 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 348 | 7 | 0 | 2 | 5.7 | CC(C1=C(CCN(C(C)C)C(C)C)Cc2ccccc21)c1ccccn1 | 10.1021/jm020895l | ||
| 162658421 | 181077 | 0 | None | -3 | 4 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 300 | 3 | 0 | 2 | 3.6 | CC1CCCC(C)N1C(=O)CCN1CCCc2ccccc21 | 10.1016/j.bmcl.2020.127632 | ||
| CHEMBL4760150 | 181077 | 0 | None | -3 | 4 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 300 | 3 | 0 | 2 | 3.6 | CC1CCCC(C)N1C(=O)CCN1CCCc2ccccc21 | 10.1016/j.bmcl.2020.127632 | ||
| 12739458 | 66521 | 0 | None | 2 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 227 | 2 | 0 | 1 | 3.5 | c1ccc(CN2C3CC4CC(C3)CC2C4)cc1 | 10.1016/j.bmcl.2011.07.028 | ||
| CHEMBL1824784 | 66521 | 0 | None | 2 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 227 | 2 | 0 | 1 | 3.5 | c1ccc(CN2C3CC4CC(C3)CC2C4)cc1 | 10.1016/j.bmcl.2011.07.028 | ||
| CHEMBL1852447 | 66521 | 0 | None | 2 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 227 | 2 | 0 | 1 | 3.5 | c1ccc(CN2C3CC4CC(C3)CC2C4)cc1 | 10.1016/j.bmcl.2011.07.028 | ||
| 71459971 | 79510 | 0 | None | -1 | 3 | Human | 7.7 | pKi | = | 7.7 | 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 | ||
| CHEMBL2114066 | 79510 | 0 | None | -1 | 3 | Human | 7.7 | pKi | = | 7.7 | 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 | ||
| 214124 | 169667 | 2 | None | -4 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 331 | 8 | 0 | 3 | 4.4 | CCN(CC)CCOC(=O)C(C)(c1ccccc1)C1CCCCC1 | 10.1021/jm00085a017 | ||
| CHEMBL443780 | 169667 | 2 | None | -4 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 331 | 8 | 0 | 3 | 4.4 | CCN(CC)CCOC(=O)C(C)(c1ccccc1)C1CCCCC1 | 10.1021/jm00085a017 | ||
| 10204457 | 204380 | 0 | None | -2 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 453 | 6 | 0 | 6 | 4.0 | COc1ccc(S(=O)(=O)c2ccc(C(C#N)N3CCN(C4CCCCC4)CC3)cc2)cc1 | 10.1016/s0960-894x(00)00437-6 | ||
| CHEMBL71971 | 204380 | 0 | None | -2 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 453 | 6 | 0 | 6 | 4.0 | COc1ccc(S(=O)(=O)c2ccc(C(C#N)N3CCN(C4CCCCC4)CC3)cc2)cc1 | 10.1016/s0960-894x(00)00437-6 | ||
| 164625419 | 188566 | 0 | None | -5 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 504 | 8 | 2 | 6 | 3.0 | NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4862087 | 188566 | 0 | None | -5 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 504 | 8 | 2 | 6 | 3.0 | NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028881 | 188566 | 0 | None | -5 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 504 | 8 | 2 | 6 | 3.0 | NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 156015254 | 178263 | 0 | None | -4 | 5 | Human | 7.7 | pKi | = | 7.7 | 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 | -4 | 5 | Human | 7.7 | pKi | = | 7.7 | 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 | -4 | 5 | Human | 7.7 | pKi | = | 7.7 | 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 | ||
| 70683405 | 74446 | 0 | None | -3 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 406 | 4 | 1 | 4 | 3.7 | CN(C)[C@H]1CCCC[C@@H]1N(C)CC(=O)N1c2ccccc2NC(=O)c2ccccc21 | 10.1016/j.bmc.2008.06.025 | ||
| CHEMBL2021477 | 74446 | 0 | None | -3 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 406 | 4 | 1 | 4 | 3.7 | CN(C)[C@H]1CCCC[C@@H]1N(C)CC(=O)N1c2ccccc2NC(=O)c2ccccc21 | 10.1016/j.bmc.2008.06.025 | ||
| CHEMBL2027984 | 74446 | 0 | None | -3 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 406 | 4 | 1 | 4 | 3.7 | CN(C)[C@H]1CCCC[C@@H]1N(C)CC(=O)N1c2ccccc2NC(=O)c2ccccc21 | 10.1016/j.bmc.2008.06.025 | ||
| 44415886 | 79806 | 0 | None | -74 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 607 | 8 | 2 | 4 | 4.3 | CC(C)NC(=O)[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 | ||
| CHEMBL212141 | 79806 | 0 | None | -74 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 607 | 8 | 2 | 4 | 4.3 | CC(C)NC(=O)[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 | ||
| 44439390 | 147779 | 0 | None | -398 | 3 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 322 | 4 | 2 | 3 | 3.6 | COc1cccc(CC2NCCc3c2[nH]c2ccc(OC)cc32)c1 | 10.1016/j.bmcl.2007.01.093 | ||
| CHEMBL393275 | 147779 | 0 | None | -398 | 3 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 322 | 4 | 2 | 3 | 3.6 | COc1cccc(CC2NCCc3c2[nH]c2ccc(OC)cc32)c1 | 10.1016/j.bmcl.2007.01.093 | ||
| 10066972 | 98726 | 0 | None | -5 | 5 | Human | 5.7 | pKi | = | 5.7 | 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 | -5 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 358 | 3 | 0 | 4 | 3.7 | O=C(OC1CN2CCC1CC2)C1=C/C(=C\c2ccncc2)c2ccccc21 | 10.1016/s0960-894x(01)00186-x | ||
| 109035056 | 181299 | 1 | None | -29 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 331 | 4 | 1 | 3 | 4.0 | O=C(CCN1CCCc2ccccc21)Nc1cccc2cccnc12 | 10.1016/j.bmcl.2020.127632 | ||
| CHEMBL4762755 | 181299 | 1 | None | -29 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 331 | 4 | 1 | 3 | 4.0 | O=C(CCN1CCCc2ccccc21)Nc1cccc2cccnc12 | 10.1016/j.bmcl.2020.127632 | ||
| 162353378 | 182887 | 0 | None | -3 | 4 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 288 | 3 | 1 | 3 | 1.8 | O=C(CCN1CCCc2ccccc21)N1CCCC(O)C1 | 10.1016/j.bmcl.2020.127632 | ||
| CHEMBL4792360 | 182887 | 0 | None | -3 | 4 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 288 | 3 | 1 | 3 | 1.8 | O=C(CCN1CCCc2ccccc21)N1CCCC(O)C1 | 10.1016/j.bmcl.2020.127632 | ||
| 71575447 | 86173 | 0 | None | -31 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 363 | 5 | 0 | 4 | 3.5 | CN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc3c(c2)CCO3)C1 | 10.1021/jm301774u | ||
| CHEMBL2312361 | 86173 | 0 | None | -31 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 363 | 5 | 0 | 4 | 3.5 | CN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc3c(c2)CCO3)C1 | 10.1021/jm301774u | ||
| 6075 | 150084 | 42 | None | -2 | 16 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 310 | 2 | 0 | 3 | 4.6 | CN1CCCC(CN2c3ccccc3Sc3ccccc32)C1 | nan | ||
| CHEMBL395110 | 150084 | 42 | None | -2 | 16 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 310 | 2 | 0 | 3 | 4.6 | CN1CCCC(CN2c3ccccc3Sc3ccccc32)C1 | nan | ||
| 44593626 | 187829 | 0 | None | -3 | 5 | Human | 7.7 | pKi | = | 7.7 | 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 | -3 | 5 | Human | 7.7 | pKi | = | 7.7 | 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 | -3 | 5 | Human | 7.7 | pKi | = | 7.7 | 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 | ||
| 44627852 | 14007 | 0 | None | -2 | 5 | Human | 7.7 | pKi | = | 7.7 | 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 | 7.7 | pKi | = | 7.7 | 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 | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 338 | 4 | 0 | 1 | 5.9 | C[N+]1(C)CCCC1c1ccc(C(c2ccccc2)C2CCCCC2)o1 | 10.1021/jm901048j | ||
| 11071537 | 26465 | 0 | None | -1 | 5 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 495 | 17 | 0 | 10 | 5.5 | COc1nsnc1OCCCCCCCCCCCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm0301235 | ||
| CHEMBL136027 | 26465 | 0 | None | -1 | 5 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 495 | 17 | 0 | 10 | 5.5 | COc1nsnc1OCCCCCCCCCCCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm0301235 | ||
| 164609510 | 188441 | 0 | None | -2 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 817 | 21 | 11 | 10 | 0.5 | CC(=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4846562 | 188441 | 0 | None | -2 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 817 | 21 | 11 | 10 | 0.5 | CC(=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5027965 | 188441 | 0 | None | -2 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 817 | 21 | 11 | 10 | 0.5 | CC(=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 10651844 | 115463 | 0 | None | -2 | 5 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 649 | 22 | 3 | 7 | 5.2 | CN(CCCCCCCCN(C)C(=O)CCCCCNCC(=O)N1c2ccccc2C(=O)Nc2cccnc21)C(=O)CCCCCN | 10.1021/jm981038d | ||
| CHEMBL335115 | 115463 | 0 | None | -2 | 5 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 649 | 22 | 3 | 7 | 5.2 | CN(CCCCCCCCN(C)C(=O)CCCCCNCC(=O)N1c2ccccc2C(=O)Nc2cccnc21)C(=O)CCCCCN | 10.1021/jm981038d | ||
| 2274 | 3151 | 58 | None | -16 | 32 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | ||
| 4917 | 3151 | 58 | None | -16 | 32 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | ||
| 7279 | 3151 | 58 | None | -16 | 32 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | ||
| CHEMBL728 | 3151 | 58 | None | -16 | 32 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | ||
| DB00433 | 3151 | 58 | None | -16 | 32 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | ||
| 10105296 | 205899 | 0 | None | 1 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 231 | 2 | 1 | 3 | 2.1 | O=C(OC1CC2CCCC1N2)c1ccccc1 | 10.1021/jm9904001 | ||
| CHEMBL84113 | 205899 | 0 | None | 1 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 231 | 2 | 1 | 3 | 2.1 | O=C(OC1CC2CCCC1N2)c1ccccc1 | 10.1021/jm9904001 | ||
| 10982070 | 5134 | 0 | None | 2 | 5 | Human | 6.7 | pKi | = | 6.7 | 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 | 2 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 392 | 2 | 0 | 6 | 3.7 | COC(=O)c1c(C)n(C)c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3 | 10.1021/jm011116o | ||
| 44439410 | 147264 | 0 | None | -5 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 280 | 4 | 1 | 2 | 3.5 | CN(/C=N/c1ccc2c(c1)C(O)CC2)Cc1ccccc1 | 10.1016/j.bmcl.2007.01.093 | ||
| CHEMBL392888 | 147264 | 0 | None | -5 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 280 | 4 | 1 | 2 | 3.5 | CN(/C=N/c1ccc2c(c1)C(O)CC2)Cc1ccccc1 | 10.1016/j.bmcl.2007.01.093 | ||
| 11759379 | 120751 | 0 | None | -2 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 332 | 5 | 0 | 2 | 5.1 | CC(C1=C(CCN2CCCCC2)Cc2ccccc21)c1ccccn1 | 10.1021/jm020895l | ||
| CHEMBL355392 | 120751 | 0 | None | -2 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 332 | 5 | 0 | 2 | 5.1 | CC(C1=C(CCN2CCCCC2)Cc2ccccc21)c1ccccn1 | 10.1021/jm020895l | ||
| 441383 | 20301 | 57 | None | -5 | 17 | Human | 5.7 | pKi | = | 5.7 | 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 | -5 | 17 | Human | 5.7 | pKi | = | 5.7 | 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 | ||
| 57664418 | 138275 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 325 | 4 | 2 | 5 | 3.1 | CCOc1nc2sc(C(=O)NC3CC3)c(N)c2c(C)c1Cl | 10.1039/C5MD00334B | ||
| CHEMBL3770870 | 138275 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 325 | 4 | 2 | 5 | 3.1 | CCOc1nc2sc(C(=O)NC3CC3)c(N)c2c(C)c1Cl | 10.1039/C5MD00334B | ||
| 44299599 | 167781 | 0 | None | -1 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 343 | 0 | 0 | 3 | 3.9 | C[C@@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[C@@H](C#C[C@H]3CCC[C@H](C)N3C)[C@H]12 | 10.1016/s0960-894x(02)00315-3 | ||
| CHEMBL430587 | 167781 | 0 | None | -1 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 343 | 0 | 0 | 3 | 3.9 | C[C@@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[C@@H](C#C[C@H]3CCC[C@H](C)N3C)[C@H]12 | 10.1016/s0960-894x(02)00315-3 | ||
| 164621085 | 188525 | 0 | None | -18 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 830 | 17 | 8 | 11 | -0.3 | CC(=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNCCN1CCN(C(=O)CC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4869980 | 188525 | 0 | None | -18 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 830 | 17 | 8 | 11 | -0.3 | CC(=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNCCN1CCN(C(=O)CC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028630 | 188525 | 0 | None | -18 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 830 | 17 | 8 | 11 | -0.3 | CC(=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNCCN1CCN(C(=O)CC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 10916286 | 5070 | 0 | None | 1 | 4 | Human | 5.7 | pKi | = | 5.7 | 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 | 1 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 396 | 2 | 1 | 4 | 4.8 | CCOC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2cccc(Cl)c2C1O3 | 10.1021/jm011116o | ||
| 156015895 | 178257 | 0 | None | -1 | 5 | Human | 6.7 | pKi | = | 6.7 | 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 | -1 | 5 | Human | 6.7 | pKi | = | 6.7 | 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 | -1 | 5 | Human | 6.7 | pKi | = | 6.7 | 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 | ||
| 137655636 | 158712 | 0 | None | -93 | 8 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 376 | 7 | 0 | 2 | 4.7 | O=C1CCc2ccccc2N1CCCN1CCC(CCc2ccccc2)CC1 | 10.1021/acs.jmedchem.8b00265 | ||
| CHEMBL4093527 | 158712 | 0 | None | -93 | 8 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 376 | 7 | 0 | 2 | 4.7 | O=C1CCc2ccccc2N1CCCN1CCC(CCc2ccccc2)CC1 | 10.1021/acs.jmedchem.8b00265 | ||
| 11024241 | 120275 | 0 | None | -2 | 5 | Human | 5.7 | pKi | = | 5.7 | 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 | -2 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 338 | 6 | 0 | 3 | 4.9 | CSc1ccc2c(c1)C(C(C)c1ccccn1)=C(CCN(C)C)C2 | 10.1021/jm020895l | ||
| 156011112 | 178251 | 0 | None | -10 | 5 | Human | 5.7 | pKi | = | 5.7 | 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 | -10 | 5 | Human | 5.7 | pKi | = | 5.7 | 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 | -10 | 5 | Human | 5.7 | pKi | = | 5.7 | 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 | ||
| 156015809 | 178294 | 0 | None | -10 | 5 | Human | 5.7 | pKi | = | 5.7 | 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 | -10 | 5 | Human | 5.7 | pKi | = | 5.7 | 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 | -10 | 5 | Human | 5.7 | pKi | = | 5.7 | 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 | ||
| 164612852 | 188459 | 0 | None | -15 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 832 | 19 | 12 | 11 | -1.4 | CC(=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4852544 | 188459 | 0 | None | -15 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 832 | 19 | 12 | 11 | -1.4 | CC(=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028161 | 188459 | 0 | None | -15 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 832 | 19 | 12 | 11 | -1.4 | CC(=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 164622945 | 188541 | 0 | None | -14 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 646 | 14 | 6 | 7 | 3.6 | N=C(N)NCCC[C@@H](NC1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1)C(=O)O | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4871700 | 188541 | 0 | None | -14 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 646 | 14 | 6 | 7 | 3.6 | N=C(N)NCCC[C@@H](NC1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1)C(=O)O | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028723 | 188541 | 0 | None | -14 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 646 | 14 | 6 | 7 | 3.6 | N=C(N)NCCC[C@@H](NC1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1)C(=O)O | 10.1016/j.ejmech.2021.113159 | ||
| 155550632 | 176505 | 0 | None | -32 | 5 | Human | 8.7 | pKi | = | 8.7 | 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 | -32 | 5 | Human | 8.7 | pKi | = | 8.7 | 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 | -32 | 5 | Human | 8.7 | pKi | = | 8.7 | 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 | ||
| 155566290 | 176556 | 0 | None | -25 | 5 | Human | 8.7 | pKi | = | 8.7 | 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 | -25 | 5 | Human | 8.7 | pKi | = | 8.7 | 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 | -25 | 5 | Human | 8.7 | pKi | = | 8.7 | 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 | ||
| 156015807 | 178275 | 0 | None | -3 | 5 | Human | 8.7 | pKi | = | 8.7 | 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 | -3 | 5 | Human | 8.7 | pKi | = | 8.7 | 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 | -3 | 5 | Human | 8.7 | pKi | = | 8.7 | 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 | ||
| 277 | 1289 | 62 | None | -6 | 46 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | ||
| 2913 | 1289 | 62 | None | -6 | 46 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | ||
| 765 | 1289 | 62 | None | -6 | 46 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | ||
| CHEMBL516 | 1289 | 62 | None | -6 | 46 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | ||
| DB00434 | 1289 | 62 | None | -6 | 46 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | ||
| 10180872 | 103102 | 0 | None | -2 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 426 | 6 | 0 | 4 | 4.9 | COc1ccc([S+]([O-])c2ccc(C(C)N3CCN(C4CCCCC4)CC3)cc2)cc1 | 10.1016/s0960-894x(00)00437-6 | ||
| CHEMBL307810 | 103102 | 0 | None | -2 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 426 | 6 | 0 | 4 | 4.9 | COc1ccc([S+]([O-])c2ccc(C(C)N3CCN(C4CCCCC4)CC3)cc2)cc1 | 10.1016/s0960-894x(00)00437-6 | ||
| 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 | ||
| 10919522 | 78889 | 0 | None | -9 | 5 | Human | 8.6 | pKi | = | 8.6 | 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 | -9 | 5 | Human | 8.6 | pKi | = | 8.6 | 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 | ||
| 16115951 | 141618 | 0 | None | -2 | 5 | Human | 8.6 | pKi | = | 8.6 | 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 | -2 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 331 | 3 | 0 | 3 | 4.6 | CN1CCC[C@H]1[C@H]1CS[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1021/jm061374r | ||
| 57326326 | 77149 | 0 | None | -1 | 5 | Human | 8.6 | pKi | = | 8.6 | 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 | 8.6 | pKi | = | 8.6 | 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 | 8.6 | pKi | = | 8.6 | 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 | 8.6 | pKi | = | 8.6 | 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 | 8.6 | pKi | = | 8.6 | 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 | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 297 | 4 | 0 | 3 | 2.9 | CN(C)C[C@H]1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.ejmech.2017.06.004 | ||
| 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 | ||
| 155554568 | 176585 | 0 | None | -5 | 5 | Human | 8.6 | pKi | = | 8.6 | 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 | -5 | 5 | Human | 8.6 | pKi | = | 8.6 | 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 | -5 | 5 | Human | 8.6 | pKi | = | 8.6 | 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 | ||
| 9913341 | 82129 | 4 | None | 3 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 487 | 16 | 0 | 13 | 1.6 | COc1nsnc1OCCOCCOCCOCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm0301235 | ||
| CHEMBL216927 | 82129 | 4 | None | 3 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 487 | 16 | 0 | 13 | 1.6 | COc1nsnc1OCCOCCOCCOCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm0301235 | ||
| CHEMBL553058 | 82129 | 4 | None | 3 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 487 | 16 | 0 | 13 | 1.6 | COc1nsnc1OCCOCCOCCOCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm0301235 | ||
| 122203596 | 155782 | 0 | None | -1 | 5 | Human | 8.6 | pKi | = | 8.6 | 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 | -1 | 5 | Human | 8.6 | pKi | = | 8.6 | 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 | -1 | 5 | Human | 8.6 | pKi | = | 8.6 | 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 | ||
| 164627113 | 188578 | 0 | None | -13 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 489 | 7 | 2 | 5 | 4.2 | NC1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4878646 | 188578 | 0 | None | -13 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 489 | 7 | 2 | 5 | 4.2 | NC1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028981 | 188578 | 0 | None | -13 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 489 | 7 | 2 | 5 | 4.2 | NC1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 9913341 | 82129 | 4 | None | 3 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 487 | 16 | 0 | 13 | 1.6 | COc1nsnc1OCCOCCOCCOCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm0606995 | ||
| CHEMBL216927 | 82129 | 4 | None | 3 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 487 | 16 | 0 | 13 | 1.6 | COc1nsnc1OCCOCCOCCOCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm0606995 | ||
| CHEMBL553058 | 82129 | 4 | None | 3 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 487 | 16 | 0 | 13 | 1.6 | COc1nsnc1OCCOCCOCCOCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm0606995 | ||
| 155525097 | 170926 | 0 | None | -32 | 5 | Human | 8.6 | pKi | = | 8.6 | 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 | -32 | 5 | Human | 8.6 | pKi | = | 8.6 | 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 | ||
| 156015900 | 178297 | 0 | None | -6 | 5 | Human | 8.6 | pKi | = | 8.6 | 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 | -6 | 5 | Human | 8.6 | pKi | = | 8.6 | 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 | -6 | 5 | Human | 8.6 | pKi | = | 8.6 | 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 | ||
| CHEMBL5268503 | 193543 | 0 | None | 1 | 5 | Human | 8.6 | pKi | = | 8.6 | 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 | ||
| 42596929 | 77159 | 0 | None | -3 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 312 | 4 | 0 | 2 | 3.1 | C[N+](C)(C)CC1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm2013216 | ||
| CHEMBL2042404 | 77159 | 0 | None | -3 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 312 | 4 | 0 | 2 | 3.1 | C[N+](C)(C)CC1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm2013216 | ||
| CHEMBL2079021 | 77159 | 0 | None | -3 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 312 | 4 | 0 | 2 | 3.1 | C[N+](C)(C)CC1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm2013216 | ||
| 162645430 | 183603 | 0 | None | 1 | 5 | Human | 8.6 | pKi | = | 8.6 | 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 | 1 | 5 | Human | 8.6 | pKi | = | 8.6 | 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 | 1 | 5 | Human | 8.6 | pKi | = | 8.6 | 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 | ||
| 164615275 | 188483 | 0 | None | -17 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 859 | 20 | 9 | 11 | 1.5 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCNC(=N)N)NC1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4861252 | 188483 | 0 | None | -17 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 859 | 20 | 9 | 11 | 1.5 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCNC(=N)N)NC1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028304 | 188483 | 0 | None | -17 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 859 | 20 | 9 | 11 | 1.5 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCNC(=N)N)NC1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 155535606 | 172028 | 0 | None | -7 | 5 | Human | 8.6 | pKi | = | 8.6 | 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 | -7 | 5 | Human | 8.6 | pKi | = | 8.6 | 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 | ||
| 162649253 | 183621 | 0 | None | -2 | 5 | Human | 8.6 | pKi | = | 8.6 | 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 | -2 | 5 | Human | 8.6 | pKi | = | 8.6 | 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 | -2 | 5 | Human | 8.6 | pKi | = | 8.6 | 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 | ||
| 26987 | 946 | 33 | None | -38 | 21 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | ||
| 6063 | 946 | 33 | None | -38 | 21 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | ||
| 671 | 946 | 33 | None | -38 | 21 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | ||
| CHEMBL1626 | 946 | 33 | None | -38 | 21 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | ||
| DB00283 | 946 | 33 | None | -38 | 21 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | ||
| 10771937 | 21661 | 0 | None | -5 | 5 | Rat | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 871 | 27 | 4 | 8 | 9.4 | CN(CCCCCCCCN(C)CCCCCCNCC(=O)N1c2ccccc2NC(=O)c2ccccc21)CCCCCCNCC(=O)N1c2ccccc2NC(=O)c2ccccc21 | 10.1021/jm981038d | ||
| CHEMBL1202004 | 21661 | 0 | None | -5 | 5 | Rat | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 871 | 27 | 4 | 8 | 9.4 | CN(CCCCCCCCN(C)CCCCCCNCC(=O)N1c2ccccc2NC(=O)c2ccccc21)CCCCCCNCC(=O)N1c2ccccc2NC(=O)c2ccccc21 | 10.1021/jm981038d | ||
| CHEMBL131846 | 21661 | 0 | None | -5 | 5 | Rat | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 871 | 27 | 4 | 8 | 9.4 | CN(CCCCCCCCN(C)CCCCCCNCC(=O)N1c2ccccc2NC(=O)c2ccccc21)CCCCCCNCC(=O)N1c2ccccc2NC(=O)c2ccccc21 | 10.1021/jm981038d | ||
| 164628352 | 188589 | 0 | None | -9 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 630 | 13 | 5 | 6 | 4.0 | N=C(N)NCCCCC(=O)NC1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4878717 | 188589 | 0 | None | -9 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 630 | 13 | 5 | 6 | 4.0 | N=C(N)NCCCCC(=O)NC1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5029051 | 188589 | 0 | None | -9 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 630 | 13 | 5 | 6 | 4.0 | N=C(N)NCCCCC(=O)NC1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 156015978 | 178299 | 0 | None | -1 | 5 | Human | 8.5 | pKi | = | 8.5 | 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 | -1 | 5 | Human | 8.5 | pKi | = | 8.5 | 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 | -1 | 5 | Human | 8.5 | pKi | = | 8.5 | 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 | ||
| 16086001 | 139189 | 0 | None | -117 | 5 | Human | 7.7 | pKi | = | 7.7 | 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 | -117 | 5 | Human | 7.7 | pKi | = | 7.7 | 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 | ||
| 44439398 | 91184 | 0 | None | 1 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 408 | 5 | 0 | 5 | 4.4 | COc1cc2c(cc1OC)CN(/C=N/c1ccc3c(c1)C(OC(C)=O)CCC3)CC2 | 10.1016/j.bmcl.2007.01.093 | ||
| CHEMBL240022 | 91184 | 0 | None | 1 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 408 | 5 | 0 | 5 | 4.4 | COc1cc2c(cc1OC)CN(/C=N/c1ccc3c(c1)C(OC(C)=O)CCC3)CC2 | 10.1016/j.bmcl.2007.01.093 | ||
| 44439403 | 91755 | 0 | None | 5 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 394 | 5 | 0 | 5 | 4.0 | COc1cc2c(cc1OC)CN(/C=N/c1ccc3c(c1)C(OC(C)=O)CC3)CC2 | 10.1016/j.bmcl.2007.01.093 | ||
| CHEMBL241102 | 91755 | 0 | None | 5 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 394 | 5 | 0 | 5 | 4.0 | COc1cc2c(cc1OC)CN(/C=N/c1ccc3c(c1)C(OC(C)=O)CC3)CC2 | 10.1016/j.bmcl.2007.01.093 | ||
| 44439399 | 147367 | 0 | None | 2 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 422 | 5 | 0 | 5 | 4.8 | COc1cc2c(cc1OC)CN(/C=N/c1ccc3c(c1)C(OC(C)=O)CCCC3)CC2 | 10.1016/j.bmcl.2007.01.093 | ||
| CHEMBL392970 | 147367 | 0 | None | 2 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 422 | 5 | 0 | 5 | 4.8 | COc1cc2c(cc1OC)CN(/C=N/c1ccc3c(c1)C(OC(C)=O)CCCC3)CC2 | 10.1016/j.bmcl.2007.01.093 | ||
| 57664418 | 138275 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 325 | 4 | 2 | 5 | 3.1 | CCOc1nc2sc(C(=O)NC3CC3)c(N)c2c(C)c1Cl | 10.1039/C5MD00334B | ||
| CHEMBL3770870 | 138275 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 325 | 4 | 2 | 5 | 3.1 | CCOc1nc2sc(C(=O)NC3CC3)c(N)c2c(C)c1Cl | 10.1039/C5MD00334B | ||
| 44439401 | 91754 | 0 | None | 7 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 395 | 4 | 0 | 5 | 3.6 | COC(=O)N1CCc2ccc(/N=C/N3CCc4cc(OC)c(OC)cc4C3)cc21 | 10.1016/j.bmcl.2007.01.093 | ||
| CHEMBL241101 | 91754 | 0 | None | 7 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 395 | 4 | 0 | 5 | 3.6 | COC(=O)N1CCc2ccc(/N=C/N3CCc4cc(OC)c(OC)cc4C3)cc21 | 10.1016/j.bmcl.2007.01.093 | ||
| 156308 | 169259 | 5 | None | 2 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 354 | 2 | 0 | 4 | 3.2 | COc1ccc2c(c1OC)C[N+]1(C)CCc3cc4c(cc3C1C2)OCO4 | 10.1016/j.bmcl.2007.01.093 | ||
| CHEMBL441356 | 169259 | 5 | None | 2 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 354 | 2 | 0 | 4 | 3.2 | COc1ccc2c(c1OC)C[N+]1(C)CCc3cc4c(cc3C1C2)OCO4 | 10.1016/j.bmcl.2007.01.093 | ||
| 155551903 | 176433 | 0 | None | -2 | 5 | Human | 6.7 | pKi | = | 6.7 | 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 | -2 | 5 | Human | 6.7 | pKi | = | 6.7 | 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 | -2 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 462 | 8 | 2 | 4 | 4.3 | CCC(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| 10236758 | 115746 | 5 | None | -213 | 13 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 328 | 7 | 0 | 2 | 4.3 | CCCCC1CCN(CCCN2C(=O)CCc3ccccc32)CC1 | 10.1021/jm501173q | ||
| CHEMBL3354065 | 115746 | 5 | None | -213 | 13 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 328 | 7 | 0 | 2 | 4.3 | CCCCC1CCN(CCCN2C(=O)CCc3ccccc32)CC1 | 10.1021/jm501173q | ||
| 44593623 | 187856 | 0 | None | -6 | 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 | ||
| CHEMBL496503 | 187856 | 0 | None | -6 | 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 | ||
| CHEMBL539373 | 187856 | 0 | None | -6 | 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 | ||
| 92218234 | 120801 | 1 | None | -12 | 4 | Human | 4.7 | pKi | = | 4.7 | 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 | -12 | 4 | Human | 4.7 | pKi | = | 4.7 | 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 | -12 | 4 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 160 | 2 | 0 | 2 | 0.1 | C[N+](C)(C)C[C@@H]1COCCO1 | 10.1016/j.bmcl.2014.06.020 | ||
| 15157140 | 99846 | 0 | None | -1 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 359 | 10 | 0 | 3 | 5.2 | CCN(CC)CCCCOC(=O)C(C)(c1ccccc1)C1CCCCC1 | 10.1021/jm00085a017 | ||
| CHEMBL285898 | 99846 | 0 | None | -1 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 359 | 10 | 0 | 3 | 5.2 | CCN(CC)CCCCOC(=O)C(C)(c1ccccc1)C1CCCCC1 | 10.1021/jm00085a017 | ||
| 44568347 | 191627 | 0 | None | 3 | 15 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 356 | 6 | 0 | 4 | 5.2 | CCN(CC)CCCOC(=O)N1c2ccccc2Sc2ccccc21 | 10.1016/j.bmcl.2013.04.082 | ||
| CHEMBL519609 | 191627 | 0 | None | 3 | 15 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 356 | 6 | 0 | 4 | 5.2 | CCN(CC)CCCOC(=O)N1c2ccccc2Sc2ccccc21 | 10.1016/j.bmcl.2013.04.082 | ||
| 2726 | 916 | 68 | None | -25 | 73 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
| 621 | 916 | 68 | None | -25 | 73 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
| 83 | 916 | 68 | None | -25 | 73 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
| CHEMBL71 | 916 | 68 | None | -25 | 73 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
| DB00477 | 916 | 68 | None | -25 | 73 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
| 15050955 | 102571 | 0 | None | -2 | 4 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 538 | 7 | 1 | 7 | 3.0 | O=C1Nc2cccnc2N(C(=O)CN2CCN(CCCCN3C(=O)c4ccccc4C3=O)CC2)c2ccccc21 | 10.1021/jm00111a032 | ||
| CHEMBL304112 | 102571 | 0 | None | -2 | 4 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 538 | 7 | 1 | 7 | 3.0 | O=C1Nc2cccnc2N(C(=O)CN2CCN(CCCCN3C(=O)c4ccccc4C3=O)CC2)c2ccccc21 | 10.1021/jm00111a032 | ||
| 36014865 | 182646 | 2 | None | -1 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 280 | 4 | 1 | 2 | 3.5 | O=C(CCN1CCCc2ccccc21)Nc1ccccc1 | 10.1016/j.bmcl.2020.127632 | ||
| CHEMBL4789054 | 182646 | 2 | None | -1 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 280 | 4 | 1 | 2 | 3.5 | O=C(CCN1CCCc2ccccc21)Nc1ccccc1 | 10.1016/j.bmcl.2020.127632 | ||
| 164608958 | 188436 | 0 | None | -11 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 704 | 17 | 8 | 9 | 1.5 | CC(=O)N[C@H](CCCN)C(=O)NC(=O)[C@H](CCCNC(=N)N)NCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4846447 | 188436 | 0 | None | -11 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 704 | 17 | 8 | 9 | 1.5 | CC(=O)N[C@H](CCCN)C(=O)NC(=O)[C@H](CCCNC(=N)N)NCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5027936 | 188436 | 0 | None | -11 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 704 | 17 | 8 | 9 | 1.5 | CC(=O)N[C@H](CCCN)C(=O)NC(=O)[C@H](CCCNC(=N)N)NCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 162675053 | 183234 | 0 | None | -3 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 300 | 5 | 1 | 3 | 3.2 | O=C(CCN1CCCc2ccccc21)NCc1cccs1 | 10.1016/j.bmcl.2020.127632 | ||
| CHEMBL4796491 | 183234 | 0 | None | -3 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 300 | 5 | 1 | 3 | 3.2 | O=C(CCN1CCCc2ccccc21)NCc1cccs1 | 10.1016/j.bmcl.2020.127632 | ||
| 44274400 | 98910 | 0 | None | 1 | 5 | Human | 4.7 | pKi | = | 4.7 | 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 | 1 | 5 | Human | 4.7 | pKi | = | 4.7 | 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 | ||
| 162667844 | 182509 | 0 | None | -1 | 4 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 272 | 2 | 0 | 2 | 2.8 | Cc1ccc2c(c1)CCCN2CC(=O)N1CCCCC1 | 10.1016/j.bmcl.2020.127632 | ||
| CHEMBL4787283 | 182509 | 0 | None | -1 | 4 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 272 | 2 | 0 | 2 | 2.8 | Cc1ccc2c(c1)CCCN2CC(=O)N1CCCCC1 | 10.1016/j.bmcl.2020.127632 | ||
| 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 | ||
| 60838 | 183850 | 99 | None | 1 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 586 | 4 | 1 | 9 | 4.1 | CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC | nan | ||
| CHEMBL481 | 183850 | 99 | None | 1 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 586 | 4 | 1 | 9 | 4.1 | CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC | nan | ||
| 135398745 | 2893 | 112 | None | -32 | 66 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | nan | ||
| 47 | 2893 | 112 | None | -32 | 66 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | nan | ||
| CHEMBL715 | 2893 | 112 | None | -32 | 66 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | nan | ||
| DB00334 | 2893 | 112 | None | -32 | 66 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | nan | ||
| 145961161 | 161582 | 0 | None | -2 | 5 | Human | 7.6 | pKi | = | 7.6 | 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 | -2 | 5 | Human | 7.6 | pKi | = | 7.6 | 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 | ||
| 4735 | 195092 | 96 | None | -6 | 10 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 340 | 10 | 4 | 4 | 2.9 | N=C(N)c1ccc(OCCCCCOc2ccc(C(=N)N)cc2)cc1 | nan | ||
| CHEMBL361506 | 195092 | 96 | None | -6 | 10 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 340 | 10 | 4 | 4 | 2.9 | N=C(N)c1ccc(OCCCCCOc2ccc(C(=N)N)cc2)cc1 | nan | ||
| CHEMBL55 | 195092 | 96 | None | -6 | 10 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 340 | 10 | 4 | 4 | 2.9 | N=C(N)c1ccc(OCCCCCOc2ccc(C(=N)N)cc2)cc1 | nan | ||
| 15050941 | 203644 | 0 | None | 1 | 4 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 427 | 4 | 1 | 5 | 3.1 | O=C1Nc2cccnc2N(C(=O)CN2CCN(Cc3ccccc3)CC2)c2ccccc21 | 10.1021/jm00111a032 | ||
| CHEMBL67381 | 203644 | 0 | None | 1 | 4 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 427 | 4 | 1 | 5 | 3.1 | O=C1Nc2cccnc2N(C(=O)CN2CCN(Cc3ccccc3)CC2)c2ccccc21 | 10.1021/jm00111a032 | ||
| 2337 | 3232 | 77 | None | -26 | 63 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | nan | ||
| 50 | 3232 | 77 | None | -26 | 63 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | nan | ||
| 5002 | 3232 | 77 | None | -26 | 63 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | nan | ||
| CHEMBL716 | 3232 | 77 | None | -26 | 63 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | nan | ||
| DB01224 | 3232 | 77 | None | -26 | 63 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | nan | ||
| 44318766 | 205728 | 0 | None | 3 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 237 | 2 | 1 | 3 | 2.4 | O=C(OC1CC2CCCC1N2)C1CCCCC1 | 10.1021/jm9904001 | ||
| CHEMBL82754 | 205728 | 0 | None | 3 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 237 | 2 | 1 | 3 | 2.4 | O=C(OC1CC2CCCC1N2)C1CCCCC1 | 10.1021/jm9904001 | ||
| 10262466 | 98316 | 0 | None | -3 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 208 | 2 | 0 | 3 | 0.3 | O=C1CCON1CC#CCN1CCCC1 | 10.1016/j.bmc.2007.09.003 | ||
| CHEMBL275104 | 98316 | 0 | None | -3 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 208 | 2 | 0 | 3 | 0.3 | O=C1CCON1CC#CCN1CCCC1 | 10.1016/j.bmc.2007.09.003 | ||
| 44274468 | 80577 | 0 | None | -1 | 5 | Human | 4.7 | pKi | = | 4.7 | 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 | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 276 | 4 | 0 | 2 | 4.0 | CN(C)CCC1=C/C(=C\c2cccnc2)c2ccccc21 | 10.1016/s0960-894x(01)00186-x | ||
| 44448498 | 12307 | 0 | None | 1 | 3 | Human | 4.7 | pKi | = | 4.7 | 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 | 4.7 | pKi | = | 4.7 | 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 | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 534 | 12 | 2 | 4 | 6.0 | OC(CCCN1CCN(CCCC(O)(c2ccccc2)c2ccccc2)CC1)(c1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2008.03.061 | ||
| 2750 | 204038 | 76 | None | -1 | 12 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 333 | 5 | 1 | 4 | 3.9 | CC1(COc2ccc(CC3SC(=O)NC3=O)cc2)CCCCC1 | nan | ||
| CHEMBL7002 | 204038 | 76 | None | -1 | 12 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 333 | 5 | 1 | 4 | 3.9 | CC1(COc2ccc(CC3SC(=O)NC3=O)cc2)CCCCC1 | nan | ||
| 44437308 | 12295 | 0 | None | -4 | 5 | Human | 5.6 | pKi | = | 5.6 | 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 | -4 | 5 | Human | 5.6 | pKi | = | 5.6 | 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 | -4 | 5 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 285 | 2 | 0 | 3 | 1.9 | C[N+]1(CC#CCOC2=NOCC2)CCc2ccccc2C1 | 10.1016/j.bmc.2007.09.003 | ||
| 44448496 | 11880 | 0 | None | -3 | 5 | Human | 4.6 | pKi | = | 4.6 | 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 | -3 | 5 | Human | 4.6 | pKi | = | 4.6 | 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 | -3 | 5 | Human | 4.6 | pKi | = | 4.6 | 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 | ||
| 9308 | 17722 | 21 | None | -10 | 7 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 174 | 2 | 1 | 2 | 0.2 | C[C@@H]1O[C@H](C[N+](C)(C)C)C[C@H]1O | 10.1021/jm9904001 | ||
| CHEMBL1255785 | 17722 | 21 | None | -10 | 7 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 174 | 2 | 1 | 2 | 0.2 | C[C@@H]1O[C@H](C[N+](C)(C)C)C[C@H]1O | 10.1021/jm9904001 | ||
| CHEMBL12587 | 17722 | 21 | None | -10 | 7 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 174 | 2 | 1 | 2 | 0.2 | C[C@@H]1O[C@H](C[N+](C)(C)C)C[C@H]1O | 10.1021/jm9904001 | ||
| CHEMBL292911 | 17722 | 21 | None | -10 | 7 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 174 | 2 | 1 | 2 | 0.2 | C[C@@H]1O[C@H](C[N+](C)(C)C)C[C@H]1O | 10.1021/jm9904001 | ||
| 15050953 | 102312 | 0 | None | -1 | 4 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 536 | 9 | 2 | 7 | 4.0 | CC(C)(C)OC(=O)NCCCCCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 | 10.1021/jm00111a032 | ||
| CHEMBL303684 | 102312 | 0 | None | -1 | 4 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 536 | 9 | 2 | 7 | 4.0 | CC(C)(C)OC(=O)NCCCCCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 | 10.1021/jm00111a032 | ||
| 155516383 | 176649 | 0 | None | -5 | 5 | Human | 7.6 | pKi | = | 7.6 | 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 | -5 | 5 | Human | 7.6 | pKi | = | 7.6 | 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 | -5 | 5 | Human | 7.6 | pKi | = | 7.6 | 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 | ||
| 1548953 | 207656 | 27 | None | -1 | 17 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 405 | 9 | 0 | 2 | 6.6 | CCN(CC)CCOc1ccc(/C(=C(/Cl)c2ccccc2)c2ccccc2)cc1 | nan | ||
| CHEMBL954 | 207656 | 27 | None | -1 | 17 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 405 | 9 | 0 | 2 | 6.6 | CCN(CC)CCOc1ccc(/C(=C(/Cl)c2ccccc2)c2ccccc2)cc1 | nan | ||
| 44318929 | 106835 | 0 | None | 2 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 315 | 2 | 0 | 4 | 3.1 | CN1C2CCCC1C(OC(=O)OCC(Cl)(Cl)Cl)C2 | 10.1021/jm9904001 | ||
| CHEMBL314493 | 106835 | 0 | None | 2 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 315 | 2 | 0 | 4 | 3.1 | CN1C2CCCC1C(OC(=O)OCC(Cl)(Cl)Cl)C2 | 10.1021/jm9904001 | ||
| 71463061 | 83766 | 0 | None | -3 | 9 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 339 | 5 | 1 | 4 | 2.0 | COc1cccc(CCN2C3C4C5CC6C7C5C3C7C2(O)C64)c1OC | 10.1016/j.bmcl.2012.08.046 | ||
| CHEMBL2205813 | 83766 | 0 | None | -3 | 9 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 339 | 5 | 1 | 4 | 2.0 | COc1cccc(CCN2C3C4C5CC6C7C5C3C7C2(O)C64)c1OC | 10.1016/j.bmcl.2012.08.046 | ||
| 44627958 | 14004 | 0 | None | -7 | 5 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 354 | 4 | 1 | 2 | 5.0 | C[N+]1(C)CCC[C@H]1c1ccc([C@@](O)(c2ccccc2)C2CCCCC2)o1 | 10.1021/jm901048j | ||
| CHEMBL1197374 | 14004 | 0 | None | -7 | 5 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 354 | 4 | 1 | 2 | 5.0 | C[N+]1(C)CCC[C@H]1c1ccc([C@@](O)(c2ccccc2)C2CCCCC2)o1 | 10.1021/jm901048j | ||
| CHEMBL569089 | 14004 | 0 | None | -7 | 5 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 354 | 4 | 1 | 2 | 5.0 | C[N+]1(C)CCC[C@H]1c1ccc([C@@](O)(c2ccccc2)C2CCCCC2)o1 | 10.1021/jm901048j | ||
| 10880435 | 59029 | 0 | None | -10 | 5 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 278 | 5 | 0 | 2 | 3.6 | CN(C)CCC1=C(Cc2ccccn2)c2ccccc2C1 | 10.1021/jm020895l | ||
| CHEMBL169494 | 59029 | 0 | None | -10 | 5 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 278 | 5 | 0 | 2 | 3.6 | CN(C)CCC1=C(Cc2ccccn2)c2ccccc2C1 | 10.1021/jm020895l | ||
| 2551 | 791 | 23 | None | -21 | 11 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm9904001 | ||
| 298 | 791 | 23 | None | -21 | 11 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm9904001 | ||
| 488 | 791 | 23 | None | -21 | 11 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm9904001 | ||
| CHEMBL965 | 791 | 23 | None | -21 | 11 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm9904001 | ||
| DB00411 | 791 | 23 | None | -21 | 11 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm9904001 | ||
| 16086005 | 139206 | 0 | None | -19 | 5 | Human | 7.6 | pKi | = | 7.6 | 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 | -19 | 5 | Human | 7.6 | pKi | = | 7.6 | 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 | ||
| 164616974 | 188494 | 0 | None | -9 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 675 | 15 | 7 | 8 | 2.2 | CC(=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4857722 | 188494 | 0 | None | -9 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 675 | 15 | 7 | 8 | 2.2 | CC(=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028407 | 188494 | 0 | None | -9 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 675 | 15 | 7 | 8 | 2.2 | CC(=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 2230 | 464 | 60 | None | -218 | 10 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1021/jm9904001 | ||
| 296 | 464 | 60 | None | -218 | 10 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1021/jm9904001 | ||
| CHEMBL7303 | 464 | 60 | None | -218 | 10 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1021/jm9904001 | ||
| DB04365 | 464 | 60 | None | -218 | 10 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1021/jm9904001 | ||
| 2230 | 464 | 60 | None | -562 | 10 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1021/jm9705115 | ||
| 296 | 464 | 60 | None | -562 | 10 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1021/jm9705115 | ||
| CHEMBL7303 | 464 | 60 | None | -562 | 10 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1021/jm9705115 | ||
| DB04365 | 464 | 60 | None | -562 | 10 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1021/jm9705115 | ||
| 2230 | 464 | 60 | None | -218 | 10 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1021/jm9705115 | ||
| 296 | 464 | 60 | None | -218 | 10 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1021/jm9705115 | ||
| CHEMBL7303 | 464 | 60 | None | -218 | 10 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1021/jm9705115 | ||
| DB04365 | 464 | 60 | None | -218 | 10 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1021/jm9705115 | ||
| 44326733 | 111602 | 0 | None | -2691 | 3 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 306 | 2 | 2 | 3 | 3.3 | c1ccc2c3c([nH]c2c1)C(Cc1ccc2c(c1)OCO2)NCC3 | 10.1016/j.bmcl.2007.01.093 | ||
| CHEMBL328476 | 111602 | 0 | None | -2691 | 3 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 306 | 2 | 2 | 3 | 3.3 | c1ccc2c3c([nH]c2c1)C(Cc1ccc2c(c1)OCO2)NCC3 | 10.1016/j.bmcl.2007.01.093 | ||
| 191 | 402 | 98 | None | -29 | 29 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | nan | ||
| 201 | 402 | 98 | None | -29 | 29 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | nan | ||
| 2170 | 402 | 98 | None | -29 | 29 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | nan | ||
| CHEMBL1113 | 402 | 98 | None | -29 | 29 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | nan | ||
| DB00543 | 402 | 98 | None | -29 | 29 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | nan | ||
| 44578707 | 182117 | 0 | None | -3 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 405 | 2 | 1 | 5 | 2.9 | CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)[C@@H]2CCCC[C@@H]21 | 10.1016/j.bmc.2008.06.025 | ||
| CHEMBL478227 | 182117 | 0 | None | -3 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 405 | 2 | 1 | 5 | 2.9 | CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)[C@@H]2CCCC[C@@H]21 | 10.1016/j.bmc.2008.06.025 | ||
| 9817231 | 158212 | 22 | None | -2 | 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 | -2 | 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 | ||
| 44274433 | 99482 | 0 | None | -1 | 5 | Human | 4.6 | pKi | = | 4.6 | 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 | -1 | 5 | Human | 4.6 | pKi | = | 4.6 | 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 | ||
| 24894632 | 189395 | 2 | None | -1 | 5 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 165 | 1 | 0 | 2 | 2.4 | Cc1ccc(C2CCCN2C)o1 | 10.1021/jm800145d | ||
| CHEMBL513277 | 189395 | 2 | None | -1 | 5 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 165 | 1 | 0 | 2 | 2.4 | Cc1ccc(C2CCCN2C)o1 | 10.1021/jm800145d | ||
| 155562285 | 175818 | 0 | None | -3 | 5 | Human | 7.6 | pKi | = | 7.6 | 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 | -3 | 5 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 380 | 6 | 0 | 4 | 4.0 | COc1ccc(CCN(C(=O)OC2CN3CCC2CC3)c2ccccc2)cc1 | 10.1016/j.bmcl.2018.12.022 | ||
| 44418764 | 82130 | 0 | None | 1 | 5 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 487 | 16 | 0 | 13 | 1.8 | COc1nsc(OCCOCCOCCOCCOc2nsnc2C2C=CCCN2C)n1 | 10.1021/jm0606995 | ||
| CHEMBL216928 | 82130 | 0 | None | 1 | 5 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 487 | 16 | 0 | 13 | 1.8 | COc1nsc(OCCOCCOCCOCCOc2nsnc2C2C=CCCN2C)n1 | 10.1021/jm0606995 | ||
| 25025581 | 201973 | 0 | None | -3 | 8 | Human | 6.6 | pKi | = | 6.6 | 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 | -3 | 8 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 285 | 4 | 1 | 2 | 3.1 | CCOC[C@H]1[C@@H]2CNC[C@@]21c1ccc(Cl)c(Cl)c1 | 10.1021/jm901818u | ||
| 164617938 | 188502 | 0 | None | -17 | 4 | Human | 5.6 | pKi | = | 5.6 | 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 | -17 | 4 | Human | 5.6 | pKi | = | 5.6 | 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 | -17 | 4 | Human | 5.6 | pKi | = | 5.6 | 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 | ||
| 156015968 | 178221 | 0 | None | -4 | 5 | Human | 5.6 | pKi | = | 5.6 | 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 | -4 | 5 | Human | 5.6 | pKi | = | 5.6 | 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 | -4 | 5 | Human | 5.6 | pKi | = | 5.6 | 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 | ||
| 6604789 | 101020 | 5 | None | -100 | 10 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 311 | 3 | 1 | 4 | 1.6 | Cn1cc(C(=O)C(=O)N[C@H]2CN3CCC2CC3)c2ccccc21 | 10.1016/0960-894X(95)00308-G | ||
| CHEMBL294649 | 101020 | 5 | None | -100 | 10 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 311 | 3 | 1 | 4 | 1.6 | Cn1cc(C(=O)C(=O)N[C@H]2CN3CCC2CC3)c2ccccc21 | 10.1016/0960-894X(95)00308-G | ||
| 57326140 | 77150 | 0 | None | -3 | 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 | -3 | 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 | -3 | 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 | ||
| 155528270 | 176367 | 0 | None | -21 | 5 | Human | 6.6 | pKi | = | 6.6 | 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 | -21 | 5 | Human | 6.6 | pKi | = | 6.6 | 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 | -21 | 5 | Human | 6.6 | pKi | = | 6.6 | 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 | ||
| 47358375 | 180738 | 1 | None | -2 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 272 | 4 | 1 | 2 | 2.9 | O=C(CCN1CCCc2ccccc21)NC1CCCC1 | 10.1016/j.bmcl.2020.127632 | ||
| CHEMBL4756164 | 180738 | 1 | None | -2 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 272 | 4 | 1 | 2 | 2.9 | O=C(CCN1CCCc2ccccc21)NC1CCCC1 | 10.1016/j.bmcl.2020.127632 | ||
| 44593620 | 187912 | 0 | None | -3 | 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 | ||
| CHEMBL496915 | 187912 | 0 | None | -3 | 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 | ||
| 145961981 | 161507 | 0 | None | -1 | 5 | Human | 6.6 | pKi | = | 6.6 | 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 | -1 | 5 | Human | 6.6 | pKi | = | 6.6 | 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 | ||
| 15050950 | 204034 | 0 | None | -3 | 4 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 422 | 5 | 2 | 6 | 1.1 | CC(=O)NCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 | 10.1021/jm00111a032 | ||
| CHEMBL70003 | 204034 | 0 | None | -3 | 4 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 422 | 5 | 2 | 6 | 1.1 | CC(=O)NCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 | 10.1021/jm00111a032 | ||
| 164614732 | 188474 | 0 | None | -10 | 3 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 519 | 7 | 3 | 7 | 1.1 | NCCN1CCN(CC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4860752 | 188474 | 0 | None | -10 | 3 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 519 | 7 | 3 | 7 | 1.1 | NCCN1CCN(CC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028266 | 188474 | 0 | None | -10 | 3 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 519 | 7 | 3 | 7 | 1.1 | NCCN1CCN(CC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 162658112 | 181047 | 0 | None | -1 | 4 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 393 | 2 | 0 | 5 | 4.0 | CC(C)(C)OC(=O)N1CCN(CC(=O)n2c3ccccc3c3ccccc32)CC1 | 10.1016/j.bmcl.2020.127632 | ||
| CHEMBL4759774 | 181047 | 0 | None | -1 | 4 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 393 | 2 | 0 | 5 | 4.0 | CC(C)(C)OC(=O)N1CCN(CC(=O)n2c3ccccc3c3ccccc32)CC1 | 10.1016/j.bmcl.2020.127632 | ||
| 46227483 | 14093 | 0 | None | -1 | 5 | Human | 4.6 | pKi | = | 4.6 | 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 | 4.6 | pKi | = | 4.6 | 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 | 4.6 | pKi | = | 4.6 | 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 | ||
| 49783415 | 17646 | 0 | None | -3467 | 13 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 320 | 7 | 1 | 5 | 2.9 | CCCCN1CCC(COC(=O)c2ccc(N)c(OC)c2)CC1 | 10.1021/jm100668r | ||
| CHEMBL1258452 | 17646 | 0 | None | -3467 | 13 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 320 | 7 | 1 | 5 | 2.9 | CCCCN1CCC(COC(=O)c2ccc(N)c(OC)c2)CC1 | 10.1021/jm100668r | ||
| 2247 | 504 | 81 | None | -23 | 42 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | ||
| 249 | 504 | 81 | None | -23 | 42 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | ||
| 2603 | 504 | 81 | None | -23 | 42 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | ||
| CHEMBL296419 | 504 | 81 | None | -23 | 42 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | ||
| DB00637 | 504 | 81 | None | -23 | 42 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | ||
| 2230 | 464 | 60 | None | -218 | 10 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1021/jm9904001 | ||
| 296 | 464 | 60 | None | -218 | 10 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1021/jm9904001 | ||
| CHEMBL7303 | 464 | 60 | None | -218 | 10 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1021/jm9904001 | ||
| DB04365 | 464 | 60 | None | -218 | 10 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1021/jm9904001 | ||
| 154734599 | 2486 | 12 | None | -3 | 12 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1021/jm00075a032 | ||
| 327 | 2486 | 12 | None | -3 | 12 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1021/jm00075a032 | ||
| 4108 | 2486 | 12 | None | -3 | 12 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1021/jm00075a032 | ||
| CHEMBL27673 | 2486 | 12 | None | -3 | 12 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1021/jm00075a032 | ||
| 118719920 | 115747 | 0 | None | 2 | 5 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 509 | 10 | 0 | 7 | 4.5 | CN1CCC=C(c2nsnc2OCCCC2CCN(CCCN3C(=O)CCc4ccccc43)CC2)C1 | 10.1021/jm501173q | ||
| CHEMBL3354066 | 115747 | 0 | None | 2 | 5 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 509 | 10 | 0 | 7 | 4.5 | CN1CCC=C(c2nsnc2OCCCC2CCN(CCCN3C(=O)CCc4ccccc43)CC2)C1 | 10.1021/jm501173q | ||
| 154734599 | 2486 | 12 | None | -3 | 12 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1016/0960-894X(95)00113-8 | ||
| 327 | 2486 | 12 | None | -3 | 12 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1016/0960-894X(95)00113-8 | ||
| 4108 | 2486 | 12 | None | -3 | 12 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1016/0960-894X(95)00113-8 | ||
| CHEMBL27673 | 2486 | 12 | None | -3 | 12 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1016/0960-894X(95)00113-8 | ||
| CHEMBL306462 | 102938 | 0 | None | -2 | 5 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 211 | 2 | 1 | 4 | 1.1 | CCO/C(O)=C1\CN2CCCC(C2)C1=O | 10.1021/jm020572p | ||
| 2551 | 791 | 23 | None | -21 | 11 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm9904001 | ||
| 298 | 791 | 23 | None | -21 | 11 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm9904001 | ||
| 488 | 791 | 23 | None | -21 | 11 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm9904001 | ||
| CHEMBL965 | 791 | 23 | None | -21 | 11 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm9904001 | ||
| DB00411 | 791 | 23 | None | -21 | 11 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm9904001 | ||
| 2551 | 791 | 23 | None | -32 | 11 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm9705115 | ||
| 298 | 791 | 23 | None | -32 | 11 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm9705115 | ||
| 488 | 791 | 23 | None | -32 | 11 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm9705115 | ||
| CHEMBL965 | 791 | 23 | None | -32 | 11 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm9705115 | ||
| DB00411 | 791 | 23 | None | -32 | 11 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm9705115 | ||
| 2551 | 791 | 23 | None | -21 | 11 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm9705115 | ||
| 298 | 791 | 23 | None | -21 | 11 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm9705115 | ||
| 488 | 791 | 23 | None | -21 | 11 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm9705115 | ||
| CHEMBL965 | 791 | 23 | None | -21 | 11 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm9705115 | ||
| DB00411 | 791 | 23 | None | -21 | 11 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm9705115 | ||
| 137644962 | 158469 | 0 | None | -131 | 8 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 363 | 6 | 0 | 3 | 3.2 | O=C1CCc2ccccc2N1CCCN1CCN(Cc2ccccc2)CC1 | 10.1021/acs.jmedchem.8b00265 | ||
| CHEMBL4091058 | 158469 | 0 | None | -131 | 8 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 363 | 6 | 0 | 3 | 3.2 | O=C1CCc2ccccc2N1CCCN1CCN(Cc2ccccc2)CC1 | 10.1021/acs.jmedchem.8b00265 | ||
| 132060776 | 162378 | 0 | None | -9 | 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 | -9 | 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 | ||
| 44448380 | 11883 | 0 | None | 1 | 5 | Human | 5.6 | pKi | = | 5.6 | 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 | 1 | 5 | Human | 5.6 | pKi | = | 5.6 | 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 | 1 | 5 | Human | 5.6 | pKi | = | 5.6 | 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 | ||
| 122387444 | 138172 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 353 | 6 | 2 | 5 | 3.9 | CCCCOc1nc2sc(C(=O)NC3CC3)c(N)c2c(C)c1Cl | 10.1039/C5MD00334B | ||
| CHEMBL3769740 | 138172 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 353 | 6 | 2 | 5 | 3.9 | CCCCOc1nc2sc(C(=O)NC3CC3)c(N)c2c(C)c1Cl | 10.1039/C5MD00334B | ||
| 10870954 | 120284 | 0 | None | -1 | 5 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 321 | 6 | 1 | 3 | 2.3 | CN(C)CCNC(=O)C1=C(Cc2ccccn2)c2ccccc2C1 | 10.1021/jm020895l | ||
| CHEMBL352779 | 120284 | 0 | None | -1 | 5 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 321 | 6 | 1 | 3 | 2.3 | CN(C)CCNC(=O)C1=C(Cc2ccccn2)c2ccccc2C1 | 10.1021/jm020895l | ||
| 155560013 | 176276 | 0 | None | -6 | 5 | Human | 7.6 | pKi | = | 7.6 | 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 | -6 | 5 | Human | 7.6 | pKi | = | 7.6 | 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 | -6 | 5 | Human | 7.6 | pKi | = | 7.6 | 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 | ||
| CHEMBL69452 | 203951 | 0 | None | -2 | 5 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 331 | 6 | 1 | 5 | 2.7 | CCO/C(O)=C1\CN2CC(CCC2COCc2ccccc2)C1=O | 10.1021/jm020572p | ||
| 122387444 | 138172 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 353 | 6 | 2 | 5 | 3.9 | CCCCOc1nc2sc(C(=O)NC3CC3)c(N)c2c(C)c1Cl | 10.1039/C5MD00334B | ||
| CHEMBL3769740 | 138172 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 353 | 6 | 2 | 5 | 3.9 | CCCCOc1nc2sc(C(=O)NC3CC3)c(N)c2c(C)c1Cl | 10.1039/C5MD00334B | ||
| 145961126 | 161529 | 0 | None | -4 | 5 | Human | 5.6 | pKi | = | 5.6 | 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 | -4 | 5 | Human | 5.6 | pKi | = | 5.6 | 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 | ||
| 1210 | 915 | 51 | None | -57 | 21 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| 1213 | 915 | 51 | None | -57 | 21 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| 2725 | 915 | 51 | None | -57 | 21 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| 33036 | 915 | 51 | None | -57 | 21 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| 4411 | 915 | 51 | None | -57 | 21 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| 616 | 915 | 51 | None | -57 | 21 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| 6976 | 915 | 51 | None | -57 | 21 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| 716121 | 915 | 51 | None | -57 | 21 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| 90475904 | 915 | 51 | None | -57 | 21 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| CHEMBL1201353 | 915 | 51 | None | -57 | 21 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| CHEMBL1554789 | 915 | 51 | None | -57 | 21 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| CHEMBL505 | 915 | 51 | None | -57 | 21 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| DB01114 | 915 | 51 | None | -57 | 21 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| DB13679 | 915 | 51 | None | -57 | 21 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| 237 | 204842 | 48 | None | -1 | 13 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | nan | ||
| CHEMBL546257 | 204842 | 48 | None | -1 | 13 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | nan | ||
| CHEMBL554190 | 204842 | 48 | None | -1 | 13 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | nan | ||
| CHEMBL7568 | 204842 | 48 | None | -1 | 13 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | nan | ||
| 73347827 | 92515 | 0 | None | -1 | 4 | Human | 5.6 | pKi | = | 5.6 | 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 | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 311 | 4 | 0 | 2 | 2.6 | CN(CCc1cccc(F)c1)[C@H]1C2C3CC4C2C(=O)C2C4C3C21 | 10.1016/j.bmc.2013.07.045 | ||
| 44439402 | 169354 | 0 | None | -1 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 292 | 2 | 1 | 2 | 3.4 | OC1CCc2ccc(/N=C/N3CCc4ccccc4C3)cc21 | 10.1016/j.bmcl.2007.01.093 | ||
| CHEMBL442093 | 169354 | 0 | None | -1 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 292 | 2 | 1 | 2 | 3.4 | OC1CCc2ccc(/N=C/N3CCc4ccccc4C3)cc21 | 10.1016/j.bmcl.2007.01.093 | ||
| 9308 | 17722 | 21 | None | -10 | 7 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 174 | 2 | 1 | 2 | 0.2 | C[C@@H]1O[C@H](C[N+](C)(C)C)C[C@H]1O | 10.1021/jm9705115 | ||
| CHEMBL1255785 | 17722 | 21 | None | -10 | 7 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 174 | 2 | 1 | 2 | 0.2 | C[C@@H]1O[C@H](C[N+](C)(C)C)C[C@H]1O | 10.1021/jm9705115 | ||
| CHEMBL12587 | 17722 | 21 | None | -10 | 7 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 174 | 2 | 1 | 2 | 0.2 | C[C@@H]1O[C@H](C[N+](C)(C)C)C[C@H]1O | 10.1021/jm9705115 | ||
| CHEMBL292911 | 17722 | 21 | None | -10 | 7 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 174 | 2 | 1 | 2 | 0.2 | C[C@@H]1O[C@H](C[N+](C)(C)C)C[C@H]1O | 10.1021/jm9705115 | ||
| 44593622 | 187772 | 0 | None | -5 | 5 | Human | 6.6 | pKi | = | 6.6 | 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 | -5 | 5 | Human | 6.6 | pKi | = | 6.6 | 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 | -5 | 5 | Human | 6.6 | pKi | = | 6.6 | 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 | ||
| 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 | ||
| 611101 | 203856 | 3 | None | -2 | 4 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 380 | 4 | 2 | 6 | 0.9 | NCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 | 10.1021/jm00111a032 | ||
| CHEMBL68771 | 203856 | 3 | None | -2 | 4 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 380 | 4 | 2 | 6 | 0.9 | NCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 | 10.1021/jm00111a032 | ||
| 73353378 | 89773 | 0 | None | -25 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 331 | 4 | 1 | 4 | 2.4 | CN1CCC(OC(=O)C(CO)c2cccc(C(F)(F)F)c2)CC1 | 10.1016/j.bmc.2013.01.072 | ||
| CHEMBL2377268 | 89773 | 0 | None | -25 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 331 | 4 | 1 | 4 | 2.4 | CN1CCC(OC(=O)C(CO)c2cccc(C(F)(F)F)c2)CC1 | 10.1016/j.bmc.2013.01.072 | ||
| 71463022 | 83669 | 7 | None | -3 | 4 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 436 | 8 | 0 | 5 | 5.3 | COc1cc2oc(C(=O)N(CCCN3CCCCC3)c3ccccc3)c(C)c2cc1OC | 10.1016/j.bmc.2012.09.044 | ||
| CHEMBL2205362 | 83669 | 7 | None | -3 | 4 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 436 | 8 | 0 | 5 | 5.3 | COc1cc2oc(C(=O)N(CCCN3CCCCC3)c3ccccc3)c(C)c2cc1OC | 10.1016/j.bmc.2012.09.044 | ||
| 135 | 2515 | 43 | None | -22 | 58 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | ||
| 1796 | 2515 | 43 | None | -22 | 58 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | ||
| 4184 | 2515 | 43 | None | -22 | 58 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | ||
| CHEMBL6437 | 2515 | 43 | None | -22 | 58 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | ||
| DB06148 | 2515 | 43 | None | -22 | 58 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | ||
| 109014373 | 179778 | 1 | None | -3 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 286 | 3 | 0 | 2 | 3.1 | CC1CCN(C(=O)CCN2CCCc3ccccc32)CC1 | 10.1016/j.bmcl.2020.127632 | ||
| CHEMBL4744856 | 179778 | 1 | None | -3 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 286 | 3 | 0 | 2 | 3.1 | CC1CCN(C(=O)CCN2CCCc3ccccc32)CC1 | 10.1016/j.bmcl.2020.127632 | ||
| 44448646 | 11876 | 0 | None | -1 | 5 | Human | 6.5 | pKi | = | 6.5 | 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 | -1 | 5 | Human | 6.5 | pKi | = | 6.5 | 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 | -1 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 324 | 6 | 1 | 1 | 4.3 | C[N+]1(CCCC(O)(c2ccccc2)c2ccccc2)CCCCC1 | 10.1016/j.bmcl.2008.03.061 | ||
| 16085999 | 80263 | 0 | None | -60 | 5 | Human | 7.5 | pKi | = | 7.5 | 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 | -60 | 5 | Human | 7.5 | pKi | = | 7.5 | 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 | ||
| 155513986 | 176463 | 0 | None | -17 | 5 | Human | 7.5 | pKi | = | 7.5 | 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 | -17 | 5 | Human | 7.5 | pKi | = | 7.5 | 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 | -17 | 5 | Human | 7.5 | pKi | = | 7.5 | 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 | ||
| 135409468 | 2022 | 69 | None | -79 | 40 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 312 | 1 | 2 | 4 | 1.7 | Clc1ccc2c(c1)NC(=c1c(=N2)cccc1)N1CCNCC1 | 10.1021/jm100697g | ||
| 333 | 2022 | 69 | None | -79 | 40 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 312 | 1 | 2 | 4 | 1.7 | Clc1ccc2c(c1)NC(=c1c(=N2)cccc1)N1CCNCC1 | 10.1021/jm100697g | ||
| CHEMBL845 | 2022 | 69 | None | -79 | 40 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 312 | 1 | 2 | 4 | 1.7 | Clc1ccc2c(c1)NC(=c1c(=N2)cccc1)N1CCNCC1 | 10.1021/jm100697g | ||
| 16086004 | 139212 | 0 | None | -77 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 608 | 9 | 3 | 5 | 3.5 | O=C(NC[C@@H]1CCCNC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1 | 10.1021/jm051205r | ||
| CHEMBL378885 | 139212 | 0 | None | -77 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 608 | 9 | 3 | 5 | 3.5 | O=C(NC[C@@H]1CCCNC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1 | 10.1021/jm051205r | ||
| 11751922 | 73045 | 19 | None | -5 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 477 | 4 | 2 | 7 | 4.7 | CC(C)Cn1c2ccc(Nc3ncccn3)cc2c2c3c(c4c(c21)CCc1nn(C)cc1-4)C(=O)NC3 | 10.1021/jm201449n | ||
| CHEMBL2010872 | 73045 | 19 | None | -5 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 477 | 4 | 2 | 7 | 4.7 | CC(C)Cn1c2ccc(Nc3ncccn3)cc2c2c3c(c4c(c21)CCc1nn(C)cc1-4)C(=O)NC3 | 10.1021/jm201449n | ||
| 15050946 | 102619 | 0 | None | -1 | 4 | Rat | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 484 | 5 | 2 | 6 | 2.5 | CNC(=O)c1ccc(CN2CCN(CC(=O)N3c4ccccc4C(=O)Nc4cccnc43)CC2)cc1 | 10.1021/jm00111a032 | ||
| CHEMBL304391 | 102619 | 0 | None | -1 | 4 | Rat | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 484 | 5 | 2 | 6 | 2.5 | CNC(=O)c1ccc(CN2CCN(CC(=O)N3c4ccccc4C(=O)Nc4cccnc43)CC2)cc1 | 10.1021/jm00111a032 | ||
| 10104 | 3540 | 12 | None | -9 | 6 | Human | 6.5 | pKi | = | 6.5 | 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 | -9 | 6 | Human | 6.5 | pKi | = | 6.5 | 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 | -9 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 292 | 5 | 0 | 2 | 4.1 | CN(CCC1=C([C@@H](c2ccccn2)C)c2c(C1)cccc2)C | 10.1021/jm020895l | ||
| 155552923 | 176283 | 0 | None | -6 | 5 | Human | 6.5 | pKi | = | 6.5 | 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 | -6 | 5 | Human | 6.5 | pKi | = | 6.5 | 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 | -6 | 5 | Human | 6.5 | pKi | = | 6.5 | 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 | ||
| 164627658 | 188585 | 0 | None | -72 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 916 | 22 | 9 | 12 | 0.6 | CC(=O)NC(=O)[C@H](CCCCN)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 | ||
| CHEMBL4875268 | 188585 | 0 | None | -72 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 916 | 22 | 9 | 12 | 0.6 | CC(=O)NC(=O)[C@H](CCCCN)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 | ||
| CHEMBL5029013 | 188585 | 0 | None | -72 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 916 | 22 | 9 | 12 | 0.6 | CC(=O)NC(=O)[C@H](CCCCN)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 | ||
| 164628906 | 188592 | 0 | None | -56 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 888 | 20 | 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(C(=O)CCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4877107 | 188592 | 0 | None | -56 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 888 | 20 | 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(C(=O)CCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5029079 | 188592 | 0 | None | -56 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 888 | 20 | 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(C(=O)CCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 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 | ||
| 7141656 | 176813 | 7 | None | -9 | 5 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 151 | 1 | 1 | 2 | 2.0 | Cc1ccc([C@H]2CCCN2)o1 | 10.1021/jm800145d | ||
| CHEMBL461089 | 176813 | 7 | None | -9 | 5 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 151 | 1 | 1 | 2 | 2.0 | Cc1ccc([C@H]2CCCN2)o1 | 10.1021/jm800145d | ||
| 3198 | 205490 | 76 | None | -8 | 34 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | ||
| CHEMBL1201049 | 205490 | 76 | None | -8 | 34 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | ||
| CHEMBL808 | 205490 | 76 | None | -8 | 34 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | ||
| 71452384 | 83768 | 0 | None | -14 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 280 | 3 | 1 | 3 | 1.4 | OC12C3C4CC5C6C4C1C6C(C53)N2CCc1ccccn1 | 10.1016/j.bmcl.2012.08.046 | ||
| CHEMBL2205816 | 83768 | 0 | None | -14 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 280 | 3 | 1 | 3 | 1.4 | OC12C3C4CC5C6C4C1C6C(C53)N2CCc1ccccn1 | 10.1016/j.bmcl.2012.08.046 | ||
| 71452384 | 83768 | 0 | None | -14 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 280 | 3 | 1 | 3 | 1.4 | OC12C3C4CC5C6C4C1C6C(C53)N2CCc1ccccn1 | 10.1016/j.bmc.2013.07.045 | ||
| CHEMBL2205816 | 83768 | 0 | None | -14 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 280 | 3 | 1 | 3 | 1.4 | OC12C3C4CC5C6C4C1C6C(C53)N2CCc1ccccn1 | 10.1016/j.bmc.2013.07.045 | ||
| 174174 | 521 | 49 | None | -2 | 14 | Human | 8.5 | pKi | = | 8.5 | 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 | 8.5 | pKi | = | 8.5 | 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 | 8.5 | pKi | = | 8.5 | 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 | 8.5 | pKi | = | 8.5 | 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 | 8.5 | pKi | = | 8.5 | 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 | ||
| 10949838 | 5189 | 0 | None | 72 | 5 | Human | 8.5 | pKi | = | 8.5 | 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 | 72 | 5 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 420 | 4 | 0 | 6 | 4.4 | CCOC(=O)c1c(CC)n(C)c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3 | 10.1021/jm011116o | ||
| 10225881 | 107594 | 0 | None | 112 | 5 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 450 | 6 | 1 | 5 | 5.9 | CCCCc1[nH]c2ccc3c(c2c1C(=O)OCC)CN1CCc2cc(SC)ccc2C1O3 | 10.1021/jm011116o | ||
| CHEMBL318995 | 107594 | 0 | None | 112 | 5 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 450 | 6 | 1 | 5 | 5.9 | CCCCc1[nH]c2ccc3c(c2c1C(=O)OCC)CN1CCc2cc(SC)ccc2C1O3 | 10.1021/jm011116o | ||
| 164627445 | 188583 | 0 | None | -14 | 5 | Human | 8.5 | pKi | = | 8.5 | 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 | -14 | 5 | Human | 8.5 | pKi | = | 8.5 | 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 | -14 | 5 | Human | 8.5 | pKi | = | 8.5 | 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 | ||
| 2705 | 3813 | 64 | None | -1 | 10 | Human | 8.5 | pKi | = | 8.5 | 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 | 8.5 | pKi | = | 8.5 | 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 | 8.5 | pKi | = | 8.5 | 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 | 8.5 | pKi | = | 8.5 | 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 | 8.5 | pKi | = | 8.5 | 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 | 8.5 | pKi | = | 8.5 | 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 | 8.5 | pKi | = | 8.5 | 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 | 8.5 | pKi | = | 8.5 | 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 | 8.5 | pKi | = | 8.5 | 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 | 8.5 | pKi | = | 8.5 | 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 | ||
| 164626501 | 188572 | 0 | None | -17 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 931 | 24 | 10 | 13 | -0.5 | CC(=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCNC(=N)N)N[C@@H](CCCN)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4874955 | 188572 | 0 | None | -17 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 931 | 24 | 10 | 13 | -0.5 | CC(=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCNC(=N)N)N[C@@H](CCCN)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028936 | 188572 | 0 | None | -17 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 931 | 24 | 10 | 13 | -0.5 | CC(=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCNC(=N)N)N[C@@H](CCCN)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 155539713 | 176336 | 0 | None | -28 | 5 | Human | 8.5 | pKi | = | 8.5 | 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 | -28 | 5 | Human | 8.5 | pKi | = | 8.5 | 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 | -28 | 5 | Human | 8.5 | pKi | = | 8.5 | 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 | ||
| CHEMBL5283759 | 194205 | 0 | None | 1 | 5 | Human | 8.5 | pKi | = | 8.5 | 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 | ||
| 16115950 | 136357 | 0 | None | 1 | 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 | ||
| CHEMBL373515 | 136357 | 0 | None | 1 | 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 | ||
| 164611865 | 188452 | 0 | None | -41 | 3 | Human | 8.5 | pKi | = | 8.5 | 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](CCNC(=N)N)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4856113 | 188452 | 0 | None | -41 | 3 | Human | 8.5 | pKi | = | 8.5 | 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](CCNC(=N)N)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028107 | 188452 | 0 | None | -41 | 3 | Human | 8.5 | pKi | = | 8.5 | 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](CCNC(=N)N)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 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 | ||
| 164618444 | 188505 | 0 | None | -16 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 873 | 21 | 9 | 11 | 1.9 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4852186 | 188505 | 0 | None | -16 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 873 | 21 | 9 | 11 | 1.9 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028499 | 188505 | 0 | None | -16 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 873 | 21 | 9 | 11 | 1.9 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 2774 | 3839 | 95 | None | 1 | 10 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | nan | ||
| 5593 | 3839 | 95 | None | 1 | 10 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | nan | ||
| 7319 | 3839 | 95 | None | 1 | 10 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | nan | ||
| CHEMBL1200604 | 3839 | 95 | None | 1 | 10 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | nan | ||
| DB00809 | 3839 | 95 | None | 1 | 10 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | nan | ||
| DB01199 | 3839 | 95 | None | 1 | 10 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | nan | ||
| 155543944 | 176310 | 0 | None | -10 | 5 | Human | 8.5 | pKi | = | 8.5 | 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 | -10 | 5 | Human | 8.5 | pKi | = | 8.5 | 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 | -10 | 5 | Human | 8.5 | pKi | = | 8.5 | 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 | ||
| 2028 | 2958 | 80 | None | -1 | 11 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | 10.1021/jm2013216 | ||
| 359 | 2958 | 80 | None | -1 | 11 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | 10.1021/jm2013216 | ||
| 4634 | 2958 | 80 | None | -1 | 11 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | 10.1021/jm2013216 | ||
| CHEMBL1231 | 2958 | 80 | None | -1 | 11 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | 10.1021/jm2013216 | ||
| DB01062 | 2958 | 80 | None | -1 | 11 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | 10.1021/jm2013216 | ||
| 137628879 | 160948 | 0 | None | -1 | 5 | Human | 8.4 | pKi | = | 8.4 | 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 | -1 | 5 | Human | 8.4 | pKi | = | 8.4 | 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 | -1 | 5 | Human | 8.4 | pKi | = | 8.4 | 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 | -1 | 5 | Human | 8.4 | pKi | = | 8.4 | 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 | ||
| 5648 | 78382 | 9 | None | -1 | 5 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 306 | 9 | 0 | 2 | 3.8 | CCC(C)C(C(=O)OCC[N+](C)(CC)CC)c1ccccc1 | nan | ||
| CHEMBL2107687 | 78382 | 9 | None | -1 | 5 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 306 | 9 | 0 | 2 | 3.8 | CCC(C)C(C(=O)OCC[N+](C)(CC)CC)c1ccccc1 | nan | ||
| CHEMBL2111176 | 78382 | 9 | None | -1 | 5 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 306 | 9 | 0 | 2 | 3.8 | CCC(C)C(C(=O)OCC[N+](C)(CC)CC)c1ccccc1 | nan | ||
| 162677513 | 183720 | 0 | None | -1 | 5 | Human | 8.4 | pKi | = | 8.4 | 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 | -1 | 5 | Human | 8.4 | pKi | = | 8.4 | 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 | -1 | 5 | Human | 8.4 | pKi | = | 8.4 | 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 | ||
| CHEMBL5267836 | 193514 | 0 | None | -1 | 5 | Human | 8.4 | pKi | = | 8.4 | 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 | ||
| 164616463 | 188490 | 0 | None | -36 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 860 | 22 | 9 | 12 | 0.9 | C[C@H](NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1)C(=O)NC(=O)[C@@H](N)CCCN | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4859378 | 188490 | 0 | None | -36 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 860 | 22 | 9 | 12 | 0.9 | C[C@H](NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1)C(=O)NC(=O)[C@@H](N)CCCN | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028381 | 188490 | 0 | None | -36 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 860 | 22 | 9 | 12 | 0.9 | C[C@H](NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1)C(=O)NC(=O)[C@@H](N)CCCN | 10.1016/j.ejmech.2021.113159 | ||
| 164628529 | 188590 | 0 | None | -18 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 914 | 17 | 9 | 12 | 0.2 | CC(=O)NC(=O)[C@H](CCNC(=N)N)NC(=O)[C@@H]1CC(=O)NCCC[C@@H](C(=O)NCCN2CCN(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)CC2)N1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4876725 | 188590 | 0 | None | -18 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 914 | 17 | 9 | 12 | 0.2 | CC(=O)NC(=O)[C@H](CCNC(=N)N)NC(=O)[C@@H]1CC(=O)NCCC[C@@H](C(=O)NCCN2CCN(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)CC2)N1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5029058 | 188590 | 0 | None | -18 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 914 | 17 | 9 | 12 | 0.2 | CC(=O)NC(=O)[C@H](CCNC(=N)N)NC(=O)[C@@H]1CC(=O)NCCC[C@@H](C(=O)NCCN2CCN(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)CC2)N1 | 10.1016/j.ejmech.2021.113159 | ||
| 164616706 | 188491 | 0 | None | -6 | 5 | Human | 8.4 | pKi | = | 8.4 | 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 | -6 | 5 | Human | 8.4 | pKi | = | 8.4 | 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 | -6 | 5 | Human | 8.4 | pKi | = | 8.4 | 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 | ||
| 156015153 | 178283 | 0 | None | -1 | 5 | Human | 8.4 | pKi | = | 8.4 | 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 | -1 | 5 | Human | 8.4 | pKi | = | 8.4 | 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 | -1 | 5 | Human | 8.4 | pKi | = | 8.4 | 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 | ||
| 44627853 | 197658 | 0 | None | -3 | 5 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 339 | 4 | 1 | 3 | 4.9 | CN1CCC[C@@H]1c1ccc([C@](O)(c2ccccc2)C2CCCCC2)o1 | 10.1021/jm901048j | ||
| CHEMBL571121 | 197658 | 0 | None | -3 | 5 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 339 | 4 | 1 | 3 | 4.9 | CN1CCC[C@@H]1c1ccc([C@](O)(c2ccccc2)C2CCCCC2)o1 | 10.1021/jm901048j | ||
| 10862395 | 4994 | 0 | None | 22 | 5 | Human | 8.4 | pKi | = | 8.4 | 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 | 22 | 5 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 406 | 4 | 1 | 5 | 4.4 | CCOC(=O)c1c(CC)[nH]c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3 | 10.1021/jm011116o | ||
| 11767229 | 78888 | 0 | None | -30 | 5 | Human | 7.5 | pKi | = | 7.5 | 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 | -30 | 5 | Human | 7.5 | pKi | = | 7.5 | 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 | ||
| 156015390 | 178218 | 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]1COC[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4648229 | 178218 | 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]1COC[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4650585 | 178218 | 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]1COC[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1021/acs.jmedchem.9b02100 | ||
| 44439408 | 91186 | 0 | None | -1 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 426 | 4 | 0 | 5 | 4.9 | COc1cc2c(cc1OC)CN(/C=N/c1ccc3c(c1)C1SCCSC1C3)CC2 | 10.1016/j.bmcl.2007.01.093 | ||
| CHEMBL240024 | 91186 | 0 | None | -1 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 426 | 4 | 0 | 5 | 4.9 | COc1cc2c(cc1OC)CN(/C=N/c1ccc3c(c1)C1SCCSC1C3)CC2 | 10.1016/j.bmcl.2007.01.093 | ||
| 9950396 | 145098 | 0 | None | 1 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 352 | 4 | 1 | 4 | 3.4 | COc1cc2c(cc1OC)CN(/C=N/c1ccc3c(c1)C(O)CC3)CC2 | 10.1016/j.bmcl.2007.01.093 | ||
| CHEMBL391192 | 145098 | 0 | None | 1 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 352 | 4 | 1 | 4 | 3.4 | COc1cc2c(cc1OC)CN(/C=N/c1ccc3c(c1)C(O)CC3)CC2 | 10.1016/j.bmcl.2007.01.093 | ||
| 11773414 | 147260 | 0 | None | 2 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 380 | 4 | 1 | 4 | 4.2 | COc1cc2c(cc1OC)CN(/C=N/c1ccc3c(c1)C(O)CCCC3)CC2 | 10.1016/j.bmcl.2007.01.093 | ||
| CHEMBL392887 | 147260 | 0 | None | 2 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 380 | 4 | 1 | 4 | 4.2 | COc1cc2c(cc1OC)CN(/C=N/c1ccc3c(c1)C(O)CCCC3)CC2 | 10.1016/j.bmcl.2007.01.093 | ||
| 44318930 | 106145 | 0 | None | 2 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 251 | 2 | 0 | 3 | 2.7 | CN1C2CCCC1C(OC(=O)C1CCCCC1)C2 | 10.1021/jm9904001 | ||
| CHEMBL313738 | 106145 | 0 | None | 2 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 251 | 2 | 0 | 3 | 2.7 | CN1C2CCCC1C(OC(=O)C1CCCCC1)C2 | 10.1021/jm9904001 | ||
| 11184481 | 201405 | 15 | None | 1 | 4 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 258 | 1 | 0 | 5 | 1.8 | Cc1ccc2oc(N3CCN4CCC3CC4)nc2n1 | 10.1021/jm9015075 | ||
| CHEMBL604798 | 201405 | 15 | None | 1 | 4 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 258 | 1 | 0 | 5 | 1.8 | Cc1ccc2oc(N3CCN4CCC3CC4)nc2n1 | 10.1021/jm9015075 | ||
| 156013387 | 178237 | 0 | None | -3 | 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 | ||
| CHEMBL4638935 | 178237 | 0 | None | -3 | 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 | ||
| CHEMBL4650725 | 178237 | 0 | None | -3 | 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 | ||
| 46227485 | 14091 | 0 | None | -2 | 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 | ||
| CHEMBL1198034 | 14091 | 0 | None | -2 | 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 | ||
| CHEMBL593620 | 14091 | 0 | None | -2 | 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 | ||
| 44593626 | 187829 | 0 | None | -3 | 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 | ||
| CHEMBL496306 | 187829 | 0 | None | -3 | 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 | ||
| CHEMBL539121 | 187829 | 0 | None | -3 | 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 | ||
| CHEMBL4520788 | 213952 | 10 | None | -14 | 25 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | None | None | None | CNCc1ccccc1-c1csc([C@H](C)Nc2nc(C)nc3cc(OC)c(OC)cc23)c1 | 10.6019/CHEMBL5212743 | ||||
| 164622170 | 188536 | 0 | None | -14 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 846 | 20 | 9 | 12 | -0.4 | CC(=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4863723 | 188536 | 0 | None | -14 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 846 | 20 | 9 | 12 | -0.4 | CC(=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028687 | 188536 | 0 | None | -14 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 846 | 20 | 9 | 12 | -0.4 | CC(=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 44627856 | 197466 | 0 | None | -2 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 339 | 4 | 1 | 3 | 4.9 | CN1CCC[C@H]1c1ccc([C@@](O)(c2ccccc2)C2CCCCC2)o1 | 10.1021/jm901048j | ||
| CHEMBL569953 | 197466 | 0 | None | -2 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 339 | 4 | 1 | 3 | 4.9 | CN1CCC[C@H]1c1ccc([C@@](O)(c2ccccc2)C2CCCCC2)o1 | 10.1021/jm901048j | ||
| 46227413 | 14108 | 0 | None | -2 | 5 | Human | 4.5 | pKi | = | 4.5 | 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 | -2 | 5 | Human | 4.5 | pKi | = | 4.5 | 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 | -2 | 5 | Human | 4.5 | pKi | = | 4.5 | 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 | ||
| 11828362 | 78891 | 0 | None | -40 | 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 | -40 | 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 | ||
| 16086062 | 80762 | 0 | None | -58 | 5 | Human | 7.5 | pKi | = | 7.5 | 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 | -58 | 5 | Human | 7.5 | pKi | = | 7.5 | 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 | ||
| 9909908 | 13487 | 0 | None | -1 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 381 | 14 | 1 | 6 | 4.5 | CN1CCC=C(c2nsnc2OCCCCCCCCCCCCO)C1 | 10.1021/jm0301235 | ||
| CHEMBL1193635 | 13487 | 0 | None | -1 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 381 | 14 | 1 | 6 | 4.5 | CN1CCC=C(c2nsnc2OCCCCCCCCCCCCO)C1 | 10.1021/jm0301235 | ||
| CHEMBL545077 | 13487 | 0 | None | -1 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 381 | 14 | 1 | 6 | 4.5 | CN1CCC=C(c2nsnc2OCCCCCCCCCCCCO)C1 | 10.1021/jm0301235 | ||
| 10373706 | 57379 | 0 | None | -6 | 4 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 959 | 31 | 2 | 10 | 10.2 | CN(CCCCCCCCN(C)CCCCCCN1CCC(OC(=O)C(O)(c2ccccc2)c2ccccc2)CC1)CCCCCCN1CCC(OC(=O)C(O)(c2ccccc2)c2ccccc2)CC1 | 10.1016/0960-894X(95)00113-8 | ||
| CHEMBL165220 | 57379 | 0 | None | -6 | 4 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 959 | 31 | 2 | 10 | 10.2 | CN(CCCCCCCCN(C)CCCCCCN1CCC(OC(=O)C(O)(c2ccccc2)c2ccccc2)CC1)CCCCCCN1CCC(OC(=O)C(O)(c2ccccc2)c2ccccc2)CC1 | 10.1016/0960-894X(95)00113-8 | ||
| 44593624 | 188105 | 0 | None | -4 | 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 | -4 | 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 | -4 | 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 | ||
| 44593616 | 193190 | 0 | None | -4 | 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 | -4 | 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 | ||
| 122387449 | 138224 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 327 | 5 | 2 | 5 | 3.4 | CCCCNC(=O)c1sc2nc(OC)c(Cl)c(C)c2c1N | 10.1039/C5MD00334B | ||
| CHEMBL3770360 | 138224 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 327 | 5 | 2 | 5 | 3.4 | CCCCNC(=O)c1sc2nc(OC)c(Cl)c(C)c2c1N | 10.1039/C5MD00334B | ||
| 137636308 | 156178 | 0 | None | -10 | 8 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 329 | 7 | 0 | 3 | 2.8 | CCCCN1CCN(CCCN2C(=O)CCc3ccccc32)CC1 | 10.1021/acs.jmedchem.8b00265 | ||
| CHEMBL4064222 | 156178 | 0 | None | -10 | 8 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 329 | 7 | 0 | 3 | 2.8 | CCCCN1CCN(CCCN2C(=O)CCc3ccccc32)CC1 | 10.1021/acs.jmedchem.8b00265 | ||
| 2736067 | 87501 | 73 | None | -371 | 5 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 230 | 1 | 1 | 2 | 2.4 | Clc1cc(Cl)cc(N2CCNCC2)c1 | 10.1021/jm400140q | ||
| CHEMBL2335158 | 87501 | 73 | None | -371 | 5 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 230 | 1 | 1 | 2 | 2.4 | Clc1cc(Cl)cc(N2CCNCC2)c1 | 10.1021/jm400140q | ||
| 2381 | 660 | 48 | None | -9 | 9 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 311 | 5 | 1 | 2 | 4.0 | OC(C1CC2CC1C=C2)(c1ccccc1)CCN1CCCCC1 | 10.1016/j.bmc.2013.01.072 | ||
| 374 | 660 | 48 | None | -9 | 9 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 311 | 5 | 1 | 2 | 4.0 | OC(C1CC2CC1C=C2)(c1ccccc1)CCN1CCCCC1 | 10.1016/j.bmc.2013.01.072 | ||
| 7128 | 660 | 48 | None | -9 | 9 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 311 | 5 | 1 | 2 | 4.0 | OC(C1CC2CC1C=C2)(c1ccccc1)CCN1CCCCC1 | 10.1016/j.bmc.2013.01.072 | ||
| CHEMBL1101 | 660 | 48 | None | -9 | 9 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 311 | 5 | 1 | 2 | 4.0 | OC(C1CC2CC1C=C2)(c1ccccc1)CCN1CCCCC1 | 10.1016/j.bmc.2013.01.072 | ||
| DB00810 | 660 | 48 | None | -9 | 9 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 311 | 5 | 1 | 2 | 4.0 | OC(C1CC2CC1C=C2)(c1ccccc1)CCN1CCCCC1 | 10.1016/j.bmc.2013.01.072 | ||
| 118719931 | 115759 | 0 | None | -1 | 5 | Human | 7.5 | pKi | = | 7.5 | 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 | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 669 | 18 | 0 | 4 | 8.7 | O=C1CCc2ccccc2N1CCCN1CCC(CCCCCCCCCC2CCN(CCCN3C(=O)CCc4ccccc43)CC2)CC1 | 10.1021/jm501173q | ||
| 154734599 | 2486 | 12 | None | -3 | 12 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1021/jm981038d | ||
| 327 | 2486 | 12 | None | -3 | 12 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1021/jm981038d | ||
| 4108 | 2486 | 12 | None | -3 | 12 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1021/jm981038d | ||
| CHEMBL27673 | 2486 | 12 | None | -3 | 12 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1021/jm981038d | ||
| 122387449 | 138224 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 327 | 5 | 2 | 5 | 3.4 | CCCCNC(=O)c1sc2nc(OC)c(Cl)c(C)c2c1N | 10.1039/C5MD00334B | ||
| CHEMBL3770360 | 138224 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 327 | 5 | 2 | 5 | 3.4 | CCCCNC(=O)c1sc2nc(OC)c(Cl)c(C)c2c1N | 10.1039/C5MD00334B | ||
| 11833737 | 120313 | 0 | None | -1 | 5 | Human | 5.5 | pKi | = | 5.5 | 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 | -1 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 306 | 5 | 0 | 2 | 4.5 | Cc1ccc2c(c1)C(C(C)c1ccccn1)=C(CCN(C)C)C2 | 10.1021/jm020895l | ||
| 164615651 | 188487 | 0 | None | -41 | 3 | Human | 5.5 | pKi | = | 5.5 | 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](CCCNC(=N)N)NCCN1CCN(CC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4852079 | 188487 | 0 | None | -41 | 3 | Human | 5.5 | pKi | = | 5.5 | 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](CCCNC(=N)N)NCCN1CCN(CC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028329 | 188487 | 0 | None | -41 | 3 | Human | 5.5 | pKi | = | 5.5 | 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](CCCNC(=N)N)NCCN1CCN(CC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 9815331 | 203084 | 1 | None | -4 | 8 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 169 | 1 | 1 | 3 | 0.8 | CC(=O)OC1CC2CCCC1N2 | 10.1021/jm9904001 | ||
| CHEMBL64000 | 203084 | 1 | None | -4 | 8 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 169 | 1 | 1 | 3 | 0.8 | CC(=O)OC1CC2CCCC1N2 | 10.1021/jm9904001 | ||
| 9815331 | 203084 | 1 | None | -12 | 8 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 169 | 1 | 1 | 3 | 0.8 | CC(=O)OC1CC2CCCC1N2 | 10.1021/jm9705115 | ||
| CHEMBL64000 | 203084 | 1 | None | -12 | 8 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 169 | 1 | 1 | 3 | 0.8 | CC(=O)OC1CC2CCCC1N2 | 10.1021/jm9705115 | ||
| 9815331 | 203084 | 1 | None | -4 | 8 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 169 | 1 | 1 | 3 | 0.8 | CC(=O)OC1CC2CCCC1N2 | 10.1021/jm9705115 | ||
| CHEMBL64000 | 203084 | 1 | None | -4 | 8 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 169 | 1 | 1 | 3 | 0.8 | CC(=O)OC1CC2CCCC1N2 | 10.1021/jm9705115 | ||
| 44627860 | 14003 | 0 | None | -3 | 5 | Human | 7.5 | pKi | = | 7.5 | 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 | -3 | 5 | Human | 7.5 | pKi | = | 7.5 | 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 | -3 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 354 | 4 | 1 | 2 | 5.0 | C[N+]1(C)CCC[C@H]1c1ccc([C@](O)(c2ccccc2)C2CCCCC2)o1 | 10.1021/jm901048j | ||
| 44593619 | 187436 | 0 | None | -3 | 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 | ||
| CHEMBL493980 | 187436 | 0 | None | -3 | 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 | ||
| 2200 | 3109 | 46 | None | -7 | 13 | Rat | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm00111a032 | ||
| 328 | 3109 | 46 | None | -7 | 13 | Rat | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm00111a032 | ||
| 4848 | 3109 | 46 | None | -7 | 13 | Rat | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm00111a032 | ||
| CHEMBL9967 | 3109 | 46 | None | -7 | 13 | Rat | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm00111a032 | ||
| DB00670 | 3109 | 46 | None | -7 | 13 | Rat | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm00111a032 | ||
| 11759212 | 57862 | 0 | None | -407 | 6 | Human | 6.5 | pKi | = | 6.5 | 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 | -407 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 326 | 5 | 0 | 2 | 4.8 | CC(C1=C(CCN(C)C)Cc2cc(Cl)ccc21)c1ccccn1 | 10.1021/jm020895l | ||
| 44274317 | 83343 | 0 | None | -1 | 5 | Human | 4.5 | pKi | = | 4.5 | 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 | -1 | 5 | Human | 4.5 | pKi | = | 4.5 | 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 | ||
| 43815 | 186896 | 64 | None | -8 | 25 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 329 | 4 | 1 | 4 | 3.3 | Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1 | nan | ||
| CHEMBL1708 | 186896 | 64 | None | -8 | 25 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 329 | 4 | 1 | 4 | 3.3 | Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1 | nan | ||
| CHEMBL490 | 186896 | 64 | None | -8 | 25 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 329 | 4 | 1 | 4 | 3.3 | Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1 | nan | ||
| 2200 | 3109 | 46 | None | -7 | 13 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm00075a032 | ||
| 328 | 3109 | 46 | None | -7 | 13 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm00075a032 | ||
| 4848 | 3109 | 46 | None | -7 | 13 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm00075a032 | ||
| CHEMBL9967 | 3109 | 46 | None | -7 | 13 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm00075a032 | ||
| DB00670 | 3109 | 46 | None | -7 | 13 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm00075a032 | ||
| 2200 | 3109 | 46 | None | -2 | 13 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1016/0960-894X(95)00403-G | ||
| 328 | 3109 | 46 | None | -2 | 13 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1016/0960-894X(95)00403-G | ||
| 4848 | 3109 | 46 | None | -2 | 13 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1016/0960-894X(95)00403-G | ||
| CHEMBL9967 | 3109 | 46 | None | -2 | 13 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1016/0960-894X(95)00403-G | ||
| DB00670 | 3109 | 46 | None | -2 | 13 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1016/0960-894X(95)00403-G | ||
| 2200 | 3109 | 46 | None | -7 | 13 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1016/0960-894X(95)00113-8 | ||
| 328 | 3109 | 46 | None | -7 | 13 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1016/0960-894X(95)00113-8 | ||
| 4848 | 3109 | 46 | None | -7 | 13 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1016/0960-894X(95)00113-8 | ||
| CHEMBL9967 | 3109 | 46 | None | -7 | 13 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1016/0960-894X(95)00113-8 | ||
| DB00670 | 3109 | 46 | None | -7 | 13 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1016/0960-894X(95)00113-8 | ||
| 156021441 | 178130 | 0 | None | -7 | 5 | Human | 7.5 | pKi | = | 7.5 | 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 | -7 | 5 | Human | 7.5 | pKi | = | 7.5 | 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 | ||
| 424430 | 107602 | 5 | None | -1318 | 3 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 292 | 3 | 2 | 2 | 3.6 | COc1cccc(CC2NCCc3c2[nH]c2ccccc32)c1 | 10.1016/j.bmcl.2007.01.093 | ||
| CHEMBL319005 | 107602 | 5 | None | -1318 | 3 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 292 | 3 | 2 | 2 | 3.6 | COc1cccc(CC2NCCc3c2[nH]c2ccccc32)c1 | 10.1016/j.bmcl.2007.01.093 | ||
| 9906447 | 195554 | 2 | None | -478 | 13 | Human | 6.5 | pKi | = | 6.5 | 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 | -478 | 13 | Human | 6.5 | pKi | = | 6.5 | 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 | -478 | 13 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 351 | 5 | 0 | 3 | 4.8 | C[C@@H]1CCCN1CCc1cc2cc(C(=O)c3ccc(F)cc3)ccc2o1 | 10.1021/jm201690h | ||
| 73355415 | 92504 | 0 | None | -1 | 13 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 277 | 3 | 1 | 1 | 2.1 | C1C2C3CC4C2C2C1C3[C@H](NCC13C5C6C7C5C1C7C63)C42 | 10.1016/j.bmc.2013.07.045 | ||
| CHEMBL2432039 | 92504 | 0 | None | -1 | 13 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 277 | 3 | 1 | 1 | 2.1 | C1C2C3CC4C2C2C1C3[C@H](NCC13C5C6C7C5C1C7C63)C42 | 10.1016/j.bmc.2013.07.045 | ||
| 164623942 | 188555 | 0 | None | -26 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 831 | 21 | 11 | 10 | 0.9 | CC(=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@@H](CCCNC(=N)N)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4873621 | 188555 | 0 | None | -26 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 831 | 21 | 11 | 10 | 0.9 | CC(=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@@H](CCCNC(=N)N)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028796 | 188555 | 0 | None | -26 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 831 | 21 | 11 | 10 | 0.9 | CC(=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@@H](CCCNC(=N)N)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 44593618 | 187435 | 0 | None | -5 | 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 | ||
| CHEMBL493979 | 187435 | 0 | None | -5 | 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 | ||
| 73352415 | 92509 | 0 | None | -1 | 4 | Human | 5.5 | pKi | = | 5.5 | 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 | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 293 | 4 | 0 | 2 | 2.5 | CN(CCc1ccccc1)[C@H]1C2C3CC4C2C(=O)C2C4C3C21 | 10.1016/j.bmc.2013.07.045 | ||
| 2335 | 11816 | 22 | None | 1 | 12 | Human | 7.4 | pKi | = | 7.4 | 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 | 7.4 | pKi | = | 7.4 | 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 | 7.4 | pKi | = | 7.4 | 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 | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | nan | ||
| 10557581 | 21742 | 0 | None | -6 | 5 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 873 | 27 | 4 | 10 | 8.1 | CN(CCCCCCCCN(C)CCCCCCNCC(=O)N1c2ccccc2NC(=O)c2cccnc21)CCCCCCNCC(=O)N1c2ccccc2NC(=O)c2cccnc21 | 10.1021/jm981038d | ||
| CHEMBL1202001 | 21742 | 0 | None | -6 | 5 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 873 | 27 | 4 | 10 | 8.1 | CN(CCCCCCCCN(C)CCCCCCNCC(=O)N1c2ccccc2NC(=O)c2cccnc21)CCCCCCNCC(=O)N1c2ccccc2NC(=O)c2cccnc21 | 10.1021/jm981038d | ||
| CHEMBL131913 | 21742 | 0 | None | -6 | 5 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 873 | 27 | 4 | 10 | 8.1 | CN(CCCCCCCCN(C)CCCCCCNCC(=O)N1c2ccccc2NC(=O)c2cccnc21)CCCCCCNCC(=O)N1c2ccccc2NC(=O)c2cccnc21 | 10.1021/jm981038d | ||
| 11968014 | 12726 | 5 | None | -12 | 9 | Human | 7.4 | pKi | = | 7.4 | 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 | -12 | 9 | Human | 7.4 | pKi | = | 7.4 | 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 | ||
| 164619478 | 188515 | 0 | None | -15 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 533 | 8 | 3 | 7 | 1.5 | NCCN1CCN(CCC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4872882 | 188515 | 0 | None | -15 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 533 | 8 | 3 | 7 | 1.5 | NCCN1CCN(CCC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028552 | 188515 | 0 | None | -15 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 533 | 8 | 3 | 7 | 1.5 | NCCN1CCN(CCC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 11101362 | 5093 | 0 | None | 7 | 5 | Human | 6.4 | pKi | = | 6.4 | 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 | 7 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 396 | 2 | 1 | 4 | 4.8 | CCOC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2cc(Cl)ccc2C1O3 | 10.1021/jm011116o | ||
| 68617 | 205504 | 62 | None | -20 | 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 | -20 | 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 | -20 | 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 | ||
| 9872676 | 78166 | 0 | None | -9332 | 17 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 565 | 11 | 2 | 10 | 4.8 | COc1nc(NCCCN2CCOCC2)nc(OC)c1NC(=O)c1ccc(Oc2cc3c(cc2C)CCC3(C)C)o1 | 10.1021/jm060012g | ||
| CHEMBL210514 | 78166 | 0 | None | -9332 | 17 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 565 | 11 | 2 | 10 | 4.8 | COc1nc(NCCCN2CCOCC2)nc(OC)c1NC(=O)c1ccc(Oc2cc3c(cc2C)CCC3(C)C)o1 | 10.1021/jm060012g | ||
| 155557119 | 176487 | 0 | None | -1 | 5 | Human | 7.4 | pKi | = | 7.4 | 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 | -1 | 5 | Human | 7.4 | pKi | = | 7.4 | 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 | -1 | 5 | Human | 7.4 | pKi | = | 7.4 | 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 | ||
| 11011757 | 59193 | 0 | None | -2 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 291 | 5 | 0 | 1 | 4.8 | CC(C1=C(CCN(C)C)Cc2ccccc21)c1ccccc1 | 10.1021/jm020895l | ||
| CHEMBL170221 | 59193 | 0 | None | -2 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 291 | 5 | 0 | 1 | 4.8 | CC(C1=C(CCN(C)C)Cc2ccccc21)c1ccccc1 | 10.1021/jm020895l | ||
| 44627956 | 14002 | 0 | None | -7 | 5 | Human | 6.4 | pKi | = | 6.4 | 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 | -7 | 5 | Human | 6.4 | pKi | = | 6.4 | 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 | -7 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 354 | 4 | 1 | 2 | 5.0 | C[N+]1(C)CCC[C@@H]1c1ccc([C@@](O)(c2ccccc2)C2CCCCC2)o1 | 10.1021/jm901048j | ||
| 156015465 | 178300 | 0 | None | -1 | 4 | Human | 5.4 | pKi | = | 5.4 | 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 | 5.4 | pKi | = | 5.4 | 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 | 5.4 | pKi | = | 5.4 | 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 | ||
| 154734599 | 2486 | 12 | None | -2 | 12 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1021/jm0155594 | ||
| 327 | 2486 | 12 | None | -2 | 12 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1021/jm0155594 | ||
| 4108 | 2486 | 12 | None | -2 | 12 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1021/jm0155594 | ||
| CHEMBL27673 | 2486 | 12 | None | -2 | 12 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1021/jm0155594 | ||
| 3055 | 1421 | 44 | None | -1 | 9 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 309 | 6 | 1 | 2 | 4.2 | OC(c1ccccc1)(c1ccccc1)CCCN1CCCCC1 | nan | ||
| 313 | 1421 | 44 | None | -1 | 9 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 309 | 6 | 1 | 2 | 4.2 | OC(c1ccccc1)(c1ccccc1)CCCN1CCCCC1 | nan | ||
| 7163 | 1421 | 44 | None | -1 | 9 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 309 | 6 | 1 | 2 | 4.2 | OC(c1ccccc1)(c1ccccc1)CCCN1CCCCC1 | nan | ||
| CHEMBL936 | 1421 | 44 | None | -1 | 9 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 309 | 6 | 1 | 2 | 4.2 | OC(c1ccccc1)(c1ccccc1)CCCN1CCCCC1 | nan | ||
| DB01231 | 1421 | 44 | None | -1 | 9 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 309 | 6 | 1 | 2 | 4.2 | OC(c1ccccc1)(c1ccccc1)CCCN1CCCCC1 | nan | ||
| 164611187 | 188446 | 0 | None | -2 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 732 | 17 | 8 | 9 | 1.3 | CC(=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4851265 | 188446 | 0 | None | -2 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 732 | 17 | 8 | 9 | 1.3 | CC(=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028060 | 188446 | 0 | None | -2 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 732 | 17 | 8 | 9 | 1.3 | CC(=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 44627748 | 14062 | 0 | None | -3 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 332 | 4 | 0 | 1 | 5.4 | C[N+]1(C)CCCC1c1ccc(C(c2ccccc2)c2ccccc2)o1 | 10.1021/jm901048j | ||
| CHEMBL1197705 | 14062 | 0 | None | -3 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 332 | 4 | 0 | 1 | 5.4 | C[N+]1(C)CCCC1c1ccc(C(c2ccccc2)c2ccccc2)o1 | 10.1021/jm901048j | ||
| CHEMBL583027 | 14062 | 0 | None | -3 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 332 | 4 | 0 | 1 | 5.4 | C[N+]1(C)CCCC1c1ccc(C(c2ccccc2)c2ccccc2)o1 | 10.1021/jm901048j | ||
| 156015051 | 178304 | 0 | None | -9 | 5 | Human | 5.4 | pKi | = | 5.4 | 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 | -9 | 5 | Human | 5.4 | pKi | = | 5.4 | 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 | -9 | 5 | Human | 5.4 | pKi | = | 5.4 | 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 | ||
| 156009660 | 178305 | 0 | None | -9 | 5 | Human | 5.4 | pKi | = | 5.4 | 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 | -9 | 5 | Human | 5.4 | pKi | = | 5.4 | 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 | -9 | 5 | Human | 5.4 | pKi | = | 5.4 | 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 | ||
| 73355419 | 92520 | 0 | None | -4 | 5 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 280 | 4 | 0 | 2 | 2.7 | CN(CCc1ccccn1)[C@H]1C2C3CC4C5C3CC2C5C41 | 10.1016/j.bmc.2013.07.045 | ||
| CHEMBL2432059 | 92520 | 0 | None | -4 | 5 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 280 | 4 | 0 | 2 | 2.7 | CN(CCc1ccccn1)[C@H]1C2C3CC4C5C3CC2C5C41 | 10.1016/j.bmc.2013.07.045 | ||
| 11536903 | 2382 | 68 | None | 6 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 311 | 3 | 2 | 5 | 2.7 | COc1nc2sc(c(c2c(c1Cl)C)N)C(=O)NC1CC1 | 10.1039/C5MD00334B | ||
| 3262 | 2382 | 68 | None | 6 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 311 | 3 | 2 | 5 | 2.7 | COc1nc2sc(c(c2c(c1Cl)C)N)C(=O)NC1CC1 | 10.1039/C5MD00334B | ||
| CHEMBL3770346 | 2382 | 68 | None | 6 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 311 | 3 | 2 | 5 | 2.7 | COc1nc2sc(c(c2c(c1Cl)C)N)C(=O)NC1CC1 | 10.1039/C5MD00334B | ||
| 118719927 | 115755 | 0 | None | -3 | 8 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 386 | 11 | 1 | 3 | 4.4 | O=C1CCc2ccccc2N1CCCN1CCC(CCCCCCCO)CC1 | 10.1021/jm501173q | ||
| CHEMBL3354074 | 115755 | 0 | None | -3 | 8 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 386 | 11 | 1 | 3 | 4.4 | O=C1CCc2ccccc2N1CCCN1CCC(CCCCCCCO)CC1 | 10.1021/jm501173q | ||
| 12963076 | 196602 | 4 | None | -9332 | 7 | Human | 5.4 | pKi | = | 5.4 | 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 | -9332 | 7 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 292 | 5 | 0 | 2 | 4.1 | C[C@H](C1=C(CCN(C)C)Cc2ccccc21)c1ccccn1 | 10.1021/jm020895l | ||
| 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 | ||
| 16086060 | 168919 | 0 | None | -100 | 5 | Human | 7.4 | pKi | = | 7.4 | 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 | -100 | 5 | Human | 7.4 | pKi | = | 7.4 | 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 | ||
| 3652 | 4066 | 79 | None | -3 | 18 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm0301235 | ||
| 57 | 4066 | 79 | None | -3 | 18 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm0301235 | ||
| 60809 | 4066 | 79 | None | -3 | 18 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm0301235 | ||
| CHEMBL21536 | 4066 | 79 | None | -3 | 18 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm0301235 | ||
| DB15357 | 4066 | 79 | None | -3 | 18 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm0301235 | ||
| 155557119 | 176487 | 0 | None | -1 | 5 | Human | 7.4 | pKi | = | 7.4 | 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 | -1 | 5 | Human | 7.4 | pKi | = | 7.4 | 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 | -1 | 5 | Human | 7.4 | pKi | = | 7.4 | 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 | ||
| 164620907 | 188524 | 0 | None | -47 | 5 | Human | 7.4 | pKi | = | 7.4 | 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 | -47 | 5 | Human | 7.4 | pKi | = | 7.4 | 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 | -47 | 5 | Human | 7.4 | pKi | = | 7.4 | 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 | ||
| 10486393 | 141677 | 0 | None | -43 | 5 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 1124 | 29 | 4 | 13 | 10.2 | CN(CCCCCCCCN(C)CCCCCCN(CC(=O)N1c2ccccc2NC(=O)c2cccnc21)CC(=O)N1c2ccccc2NC(=O)c2cccnc21)CCCCCCNCC(=O)N1c2ccccc2NC(=O)c2cccnc21 | 10.1021/jm981038d | ||
| CHEMBL1202000 | 141677 | 0 | None | -43 | 5 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 1124 | 29 | 4 | 13 | 10.2 | CN(CCCCCCCCN(C)CCCCCCN(CC(=O)N1c2ccccc2NC(=O)c2cccnc21)CC(=O)N1c2ccccc2NC(=O)c2cccnc21)CCCCCCNCC(=O)N1c2ccccc2NC(=O)c2cccnc21 | 10.1021/jm981038d | ||
| CHEMBL385625 | 141677 | 0 | None | -43 | 5 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 1124 | 29 | 4 | 13 | 10.2 | CN(CCCCCCCCN(C)CCCCCCN(CC(=O)N1c2ccccc2NC(=O)c2cccnc21)CC(=O)N1c2ccccc2NC(=O)c2cccnc21)CCCCCCNCC(=O)N1c2ccccc2NC(=O)c2cccnc21 | 10.1021/jm981038d | ||
| 3652 | 4066 | 79 | None | -3 | 18 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm0606995 | ||
| 57 | 4066 | 79 | None | -3 | 18 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm0606995 | ||
| 60809 | 4066 | 79 | None | -3 | 18 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm0606995 | ||
| CHEMBL21536 | 4066 | 79 | None | -3 | 18 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm0606995 | ||
| DB15357 | 4066 | 79 | None | -3 | 18 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm0606995 | ||
| 10033774 | 56516 | 0 | None | 1 | 4 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 927 | 31 | 0 | 8 | 12.0 | CN(CCCCCCCCN(C)CCCCCCN1CCC(OC(=O)C(c2ccccc2)c2ccccc2)CC1)CCCCCCN1CCC(OC(=O)C(c2ccccc2)c2ccccc2)CC1 | 10.1016/0960-894X(95)00113-8 | ||
| CHEMBL163901 | 56516 | 0 | None | 1 | 4 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 927 | 31 | 0 | 8 | 12.0 | CN(CCCCCCCCN(C)CCCCCCN1CCC(OC(=O)C(c2ccccc2)c2ccccc2)CC1)CCCCCCN1CCC(OC(=O)C(c2ccccc2)c2ccccc2)CC1 | 10.1016/0960-894X(95)00113-8 | ||
| 73349362 | 92521 | 0 | None | -1 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 311 | 5 | 0 | 1 | 3.8 | CN(CCCc1cccc(F)c1)[C@H]1C2C3CC4C5C3CC2C5C41 | 10.1016/j.bmc.2013.07.045 | ||
| CHEMBL2432060 | 92521 | 0 | None | -1 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 311 | 5 | 0 | 1 | 3.8 | CN(CCCc1cccc(F)c1)[C@H]1C2C3CC4C5C3CC2C5C41 | 10.1016/j.bmc.2013.07.045 | ||
| 2551 | 791 | 23 | None | -21 | 11 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0301235 | ||
| 298 | 791 | 23 | None | -21 | 11 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0301235 | ||
| 488 | 791 | 23 | None | -21 | 11 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0301235 | ||
| CHEMBL965 | 791 | 23 | None | -21 | 11 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0301235 | ||
| DB00411 | 791 | 23 | None | -21 | 11 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0301235 | ||
| 156012936 | 178272 | 0 | None | -6 | 5 | Human | 6.4 | pKi | = | 6.4 | 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 | -6 | 5 | Human | 6.4 | pKi | = | 6.4 | 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 | -6 | 5 | Human | 6.4 | pKi | = | 6.4 | 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 | ||
| 2551 | 791 | 23 | None | -21 | 11 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0606995 | ||
| 298 | 791 | 23 | None | -21 | 11 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0606995 | ||
| 488 | 791 | 23 | None | -21 | 11 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0606995 | ||
| CHEMBL965 | 791 | 23 | None | -21 | 11 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0606995 | ||
| DB00411 | 791 | 23 | None | -21 | 11 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0606995 | ||
| 10474335 | 194669 | 23 | None | -138 | 10 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 370 | 6 | 0 | 3 | 4.8 | COc1cccc2c1CCCC2CCCN1CCN(C2CCCCC2)CC1 | 10.1038/s41586-020-2286-9 | ||
| CHEMBL53325 | 194669 | 23 | None | -138 | 10 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 370 | 6 | 0 | 3 | 4.8 | COc1cccc2c1CCCC2CCCN1CCN(C2CCCCC2)CC1 | 10.1038/s41586-020-2286-9 | ||
| 156015719 | 178234 | 0 | None | -7 | 5 | Human | 5.4 | pKi | = | 5.4 | 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 | -7 | 5 | Human | 5.4 | pKi | = | 5.4 | 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 | -7 | 5 | Human | 5.4 | pKi | = | 5.4 | 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 | ||
| 9815331 | 203084 | 1 | None | -4 | 8 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 169 | 1 | 1 | 3 | 0.8 | CC(=O)OC1CC2CCCC1N2 | 10.1021/jm9904001 | ||
| CHEMBL64000 | 203084 | 1 | None | -4 | 8 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 169 | 1 | 1 | 3 | 0.8 | CC(=O)OC1CC2CCCC1N2 | 10.1021/jm9904001 | ||
| 164619001 | 188512 | 0 | None | -14 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 887 | 22 | 9 | 11 | 2.3 | CC(=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4871153 | 188512 | 0 | None | -14 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 887 | 22 | 9 | 11 | 2.3 | CC(=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028529 | 188512 | 0 | None | -14 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 887 | 22 | 9 | 11 | 2.3 | CC(=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 164610955 | 188445 | 0 | None | -15 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 661 | 15 | 6 | 8 | 2.3 | N=C(N)NCCC[C@@H](NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1)C(=O)O | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4858398 | 188445 | 0 | None | -15 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 661 | 15 | 6 | 8 | 2.3 | N=C(N)NCCC[C@@H](NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1)C(=O)O | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028048 | 188445 | 0 | None | -15 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 661 | 15 | 6 | 8 | 2.3 | N=C(N)NCCC[C@@H](NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1)C(=O)O | 10.1016/j.ejmech.2021.113159 | ||
| 44627858 | 14006 | 0 | None | -6 | 5 | Human | 8.4 | pKi | = | 8.4 | 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 | -6 | 5 | Human | 8.4 | pKi | = | 8.4 | 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 | -6 | 5 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 354 | 4 | 1 | 2 | 5.0 | C[N+]1(C)CCC[C@@H]1c1ccc([C@](O)(c2ccccc2)C2CCCCC2)o1 | 10.1021/jm901048j | ||
| 162654942 | 183647 | 0 | None | -2 | 5 | Human | 8.4 | pKi | = | 8.4 | 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 | -2 | 5 | Human | 8.4 | pKi | = | 8.4 | 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 | -2 | 5 | Human | 8.4 | pKi | = | 8.4 | 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 | ||
| 10316726 | 11996 | 0 | None | -8 | 5 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 364 | 2 | 0 | 3 | 3.6 | C[N+]1(C)C2CCC1CC1(C2)OC(=O)C(c2ccccc2)(c2ccccc2)O1 | 10.1016/0960-894X(95)00403-G | ||
| CHEMBL1183364 | 11996 | 0 | None | -8 | 5 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 364 | 2 | 0 | 3 | 3.6 | C[N+]1(C)C2CCC1CC1(C2)OC(=O)C(c2ccccc2)(c2ccccc2)O1 | 10.1016/0960-894X(95)00403-G | ||
| CHEMBL292857 | 11996 | 0 | None | -8 | 5 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 364 | 2 | 0 | 3 | 3.6 | C[N+]1(C)C2CCC1CC1(C2)OC(=O)C(c2ccccc2)(c2ccccc2)O1 | 10.1016/0960-894X(95)00403-G | ||
| 164617401 | 188496 | 0 | None | -12 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 900 | 16 | 9 | 12 | -0.2 | CC(=O)NC(=O)[C@H](CCNC(=N)N)NC(=O)[C@@H]1CC(=O)NCCC[C@@H](C(=O)NCCN2CCN(CCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)CC2)N1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4852646 | 188496 | 0 | None | -12 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 900 | 16 | 9 | 12 | -0.2 | CC(=O)NC(=O)[C@H](CCNC(=N)N)NC(=O)[C@@H]1CC(=O)NCCC[C@@H](C(=O)NCCN2CCN(CCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)CC2)N1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028427 | 188496 | 0 | None | -12 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 900 | 16 | 9 | 12 | -0.2 | CC(=O)NC(=O)[C@H](CCNC(=N)N)NC(=O)[C@@H]1CC(=O)NCCC[C@@H](C(=O)NCCN2CCN(CCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)CC2)N1 | 10.1016/j.ejmech.2021.113159 | ||
| 156016041 | 178223 | 0 | None | -1 | 5 | Human | 8.4 | pKi | = | 8.4 | 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 | -1 | 5 | Human | 8.4 | pKi | = | 8.4 | 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 | -1 | 5 | Human | 8.4 | pKi | = | 8.4 | 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 | ||
| 15157138 | 99597 | 0 | None | -1 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 345 | 9 | 0 | 3 | 4.8 | CCN(CC)CCCOC(=O)C(C)(c1ccccc1)C1CCCCC1 | 10.1021/jm00085a017 | ||
| CHEMBL284137 | 99597 | 0 | None | -1 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 345 | 9 | 0 | 3 | 4.8 | CCN(CC)CCCOC(=O)C(C)(c1ccccc1)C1CCCCC1 | 10.1021/jm00085a017 | ||
| 10316726 | 11996 | 0 | None | -8 | 5 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 364 | 2 | 0 | 3 | 3.6 | C[N+]1(C)C2CCC1CC1(C2)OC(=O)C(c2ccccc2)(c2ccccc2)O1 | 10.1016/0960-894X(95)00403-G | ||
| CHEMBL1183364 | 11996 | 0 | None | -8 | 5 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 364 | 2 | 0 | 3 | 3.6 | C[N+]1(C)C2CCC1CC1(C2)OC(=O)C(c2ccccc2)(c2ccccc2)O1 | 10.1016/0960-894X(95)00403-G | ||
| CHEMBL292857 | 11996 | 0 | None | -8 | 5 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 364 | 2 | 0 | 3 | 3.6 | C[N+]1(C)C2CCC1CC1(C2)OC(=O)C(c2ccccc2)(c2ccccc2)O1 | 10.1016/0960-894X(95)00403-G | ||
| 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 | ||
| 44428745 | 92148 | 0 | None | -6 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 635 | 23 | 2 | 6 | 7.9 | COc1ccccc1CNCCCCCCN1CCC(CCC2CCN(CCCCCCNCc3ccccc3OC)CC2)CC1 | 10.1016/j.bmc.2007.01.022 | ||
| CHEMBL242345 | 92148 | 0 | None | -6 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 635 | 23 | 2 | 6 | 7.9 | COc1ccccc1CNCCCCCCN1CCC(CCC2CCN(CCCCCCNCc3ccccc3OC)CC2)CC1 | 10.1016/j.bmc.2007.01.022 | ||
| 164618698 | 188509 | 0 | None | -43 | 5 | Human | 7.4 | pKi | = | 7.4 | 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 | -43 | 5 | Human | 7.4 | pKi | = | 7.4 | 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 | -43 | 5 | Human | 7.4 | pKi | = | 7.4 | 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 | ||
| 11536903 | 2382 | 68 | None | 6 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 311 | 3 | 2 | 5 | 2.7 | COc1nc2sc(c(c2c(c1Cl)C)N)C(=O)NC1CC1 | 10.1039/C5MD00334B | ||
| 3262 | 2382 | 68 | None | 6 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 311 | 3 | 2 | 5 | 2.7 | COc1nc2sc(c(c2c(c1Cl)C)N)C(=O)NC1CC1 | 10.1039/C5MD00334B | ||
| CHEMBL3770346 | 2382 | 68 | None | 6 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 311 | 3 | 2 | 5 | 2.7 | COc1nc2sc(c(c2c(c1Cl)C)N)C(=O)NC1CC1 | 10.1039/C5MD00334B | ||
| 57339144 | 92209 | 78 | None | -5 | 6 | Human | 6.4 | pKi | = | 6.4 | 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 | -5 | 6 | Human | 6.4 | pKi | = | 6.4 | 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 | ||
| 73346332 | 92506 | 0 | None | -2 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 297 | 3 | 0 | 2 | 2.6 | CN(Cc1cccc(F)c1)[C@H]1C2C3CC4C2C(=O)C2C4C3C21 | 10.1016/j.bmc.2013.07.045 | ||
| CHEMBL2432041 | 92506 | 0 | None | -2 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 297 | 3 | 0 | 2 | 2.6 | CN(Cc1cccc(F)c1)[C@H]1C2C3CC4C2C(=O)C2C4C3C21 | 10.1016/j.bmc.2013.07.045 | ||
| 107867 | 2953 | 55 | None | -2 | 11 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 421 | 6 | 1 | 5 | 3.5 | CCN(CC1CCCCN1CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | 10.1021/jm301774u | ||
| 309 | 2953 | 55 | None | -2 | 11 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 421 | 6 | 1 | 5 | 3.5 | CCN(CC1CCCCN1CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | 10.1021/jm301774u | ||
| CHEMBL17045 | 2953 | 55 | None | -2 | 11 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 421 | 6 | 1 | 5 | 3.5 | CCN(CC1CCCCN1CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | 10.1021/jm301774u | ||
| 21855 | 84217 | 42 | None | -20 | 6 | Human | 6.4 | pKi | = | 6.4 | 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 | -20 | 6 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 292 | 5 | 0 | 2 | 4.1 | CC(C1=C(CCN(C)C)Cc2ccccc21)c1ccccn1 | 10.1016/s0960-894x(01)00186-x | ||
| 44593617 | 187407 | 0 | None | -5 | 5 | Human | 6.4 | pKi | = | 6.4 | 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 | -5 | 5 | Human | 6.4 | pKi | = | 6.4 | 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 | ||
| 162353382 | 181710 | 0 | None | -4 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 330 | 4 | 1 | 2 | 4.6 | O=C(CCN1CCCc2ccccc21)Nc1cccc2ccccc12 | 10.1016/j.bmcl.2020.127632 | ||
| CHEMBL4777127 | 181710 | 0 | None | -4 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 330 | 4 | 1 | 2 | 4.6 | O=C(CCN1CCCc2ccccc21)Nc1cccc2ccccc12 | 10.1016/j.bmcl.2020.127632 | ||
| 16086000 | 80327 | 0 | None | -79 | 5 | Human | 7.4 | pKi | = | 7.4 | 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 | -79 | 5 | Human | 7.4 | pKi | = | 7.4 | 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 | ||
| 11766733 | 155730 | 0 | None | -208 | 5 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 1121 | 29 | 4 | 10 | 12.0 | CN(CCCCCCCCN(C)CCCCCCN(CC(=O)N1c2ccccc2NC(=O)c2ccccc21)CC(=O)N1c2ccccc2NC(=O)c2ccccc21)CCCCCCNCC(=O)N1c2ccccc2NC(=O)c2ccccc21 | 10.1021/jm981038d | ||
| CHEMBL1202003 | 155730 | 0 | None | -208 | 5 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 1121 | 29 | 4 | 10 | 12.0 | CN(CCCCCCCCN(C)CCCCCCN(CC(=O)N1c2ccccc2NC(=O)c2ccccc21)CC(=O)N1c2ccccc2NC(=O)c2ccccc21)CCCCCCNCC(=O)N1c2ccccc2NC(=O)c2ccccc21 | 10.1021/jm981038d | ||
| CHEMBL405739 | 155730 | 0 | None | -208 | 5 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 1121 | 29 | 4 | 10 | 12.0 | CN(CCCCCCCCN(C)CCCCCCN(CC(=O)N1c2ccccc2NC(=O)c2ccccc21)CC(=O)N1c2ccccc2NC(=O)c2ccccc21)CCCCCCNCC(=O)N1c2ccccc2NC(=O)c2ccccc21 | 10.1021/jm981038d | ||
| 10421982 | 206018 | 0 | None | -1 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 245 | 2 | 0 | 3 | 2.5 | CN1C2CCCC1C(OC(=O)c1ccccc1)C2 | 10.1021/jm9904001 | ||
| CHEMBL85190 | 206018 | 0 | None | -1 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 245 | 2 | 0 | 3 | 2.5 | CN1C2CCCC1C(OC(=O)c1ccccc1)C2 | 10.1021/jm9904001 | ||
| 56963799 | 74866 | 0 | None | -1047 | 10 | Human | 6.4 | pKi | = | 6.4 | 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 | -1047 | 10 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 378 | 6 | 0 | 5 | 4.6 | C[C@@H]1CCCN1CCc1cc2cc(C(=O)c3ccc([N+](=O)[O-])cc3)ccc2o1 | 10.1021/jm201690h | ||
| 155565286 | 176242 | 0 | None | -1 | 4 | Human | 6.4 | pKi | = | 6.4 | 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 | -1 | 4 | Human | 6.4 | pKi | = | 6.4 | 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 | -1 | 4 | Human | 6.4 | pKi | = | 6.4 | 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 | ||
| 11012712 | 57799 | 2 | None | -3 | 5 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 322 | 6 | 0 | 3 | 4.2 | COc1ccc2c(c1)CC(CCN(C)C)=C2C(C)c1ccccn1 | 10.1021/jm020895l | ||
| CHEMBL167027 | 57799 | 2 | None | -3 | 5 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 322 | 6 | 0 | 3 | 4.2 | COc1ccc2c(c1)CC(CCN(C)C)=C2C(C)c1ccccn1 | 10.1021/jm020895l | ||
| 10969696 | 132079 | 0 | None | -2 | 5 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 334 | 5 | 0 | 3 | 3.9 | CC(C1=C(CCN2CCOCC2)Cc2ccccc21)c1ccccn1 | 10.1021/jm020895l | ||
| CHEMBL369575 | 132079 | 0 | None | -2 | 5 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 334 | 5 | 0 | 3 | 3.9 | CC(C1=C(CCN2CCOCC2)Cc2ccccc21)c1ccccn1 | 10.1021/jm020895l | ||
| 16086059 | 80746 | 0 | None | -186 | 7 | Human | 7.4 | pKi | = | 7.4 | 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 | -186 | 7 | Human | 7.4 | pKi | = | 7.4 | 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 | ||
| 2284 | 3160 | 33 | None | -7 | 29 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | ||
| 4926 | 3160 | 33 | None | -7 | 29 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | ||
| 7281 | 3160 | 33 | None | -7 | 29 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | ||
| CHEMBL564 | 3160 | 33 | None | -7 | 29 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | ||
| DB00420 | 3160 | 33 | None | -7 | 29 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | ||
| 44318929 | 106835 | 0 | None | 2 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 315 | 2 | 0 | 4 | 3.1 | CN1C2CCCC1C(OC(=O)OCC(Cl)(Cl)Cl)C2 | 10.1021/jm9904001 | ||
| CHEMBL314493 | 106835 | 0 | None | 2 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 315 | 2 | 0 | 4 | 3.1 | CN1C2CCCC1C(OC(=O)OCC(Cl)(Cl)Cl)C2 | 10.1021/jm9904001 | ||
| 16086059 | 80746 | 0 | None | -186 | 7 | Human | 7.4 | pKi | = | 7.4 | 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 | -186 | 7 | Human | 7.4 | pKi | = | 7.4 | 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 | ||
| 44593618 | 187435 | 0 | None | -5 | 5 | Human | 7.4 | pKi | = | 7.4 | 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 | ||
| CHEMBL493979 | 187435 | 0 | None | -5 | 5 | Human | 7.4 | pKi | = | 7.4 | 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 | ||
| 44439387 | 91688 | 0 | None | -52 | 3 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 276 | 2 | 1 | 2 | 3.6 | COc1cccc(C2=NCCc3c2[nH]c2ccccc32)c1 | 10.1016/j.bmcl.2007.01.093 | ||
| CHEMBL240888 | 91688 | 0 | None | -52 | 3 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 276 | 2 | 1 | 2 | 3.6 | COc1cccc(C2=NCCc3c2[nH]c2ccccc32)c1 | 10.1016/j.bmcl.2007.01.093 | ||
| 164622017 | 188534 | 0 | None | -47 | 4 | Human | 5.4 | pKi | = | 5.4 | 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 | -47 | 4 | Human | 5.4 | pKi | = | 5.4 | 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 | -47 | 4 | Human | 5.4 | pKi | = | 5.4 | 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 | ||
| 122387448 | 138283 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 299 | 3 | 2 | 5 | 2.6 | CCNC(=O)c1sc2nc(OC)c(Cl)c(C)c2c1N | 10.1039/C5MD00334B | ||
| CHEMBL3770968 | 138283 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 299 | 3 | 2 | 5 | 2.6 | CCNC(=O)c1sc2nc(OC)c(Cl)c(C)c2c1N | 10.1039/C5MD00334B | ||
| 11006792 | 78893 | 0 | None | -19 | 5 | Human | 7.4 | pKi | = | 7.4 | 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 | -19 | 5 | Human | 7.4 | pKi | = | 7.4 | 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 | ||
| 137408738 | 191206 | 1 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 449 | 7 | 2 | 6 | 4.0 | CC(=O)Nc1ccc(-c2ccc(NC[C@@H]3CC34CCN(CC3CCOCC3)CC4)nn2)cc1 | 10.1016/j.bmcl.2021.128479 | ||
| CHEMBL5189893 | 191206 | 1 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 449 | 7 | 2 | 6 | 4.0 | CC(=O)Nc1ccc(-c2ccc(NC[C@@H]3CC34CCN(CC3CCOCC3)CC4)nn2)cc1 | 10.1016/j.bmcl.2021.128479 | ||
| 44517677 | 195412 | 0 | None | -2 | 2 | Human | 5.4 | pKi | = | 5.4 | 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 | 5.4 | pKi | = | 5.4 | 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 | ||
| 122387448 | 138283 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 299 | 3 | 2 | 5 | 2.6 | CCNC(=O)c1sc2nc(OC)c(Cl)c(C)c2c1N | 10.1039/C5MD00334B | ||
| CHEMBL3770968 | 138283 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 299 | 3 | 2 | 5 | 2.6 | CCNC(=O)c1sc2nc(OC)c(Cl)c(C)c2c1N | 10.1039/C5MD00334B | ||
| 10969390 | 59647 | 0 | None | -60 | 6 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 324 | 7 | 0 | 2 | 4.5 | CC(C1=C(CCN(C)CCF)Cc2ccccc21)c1ccccn1 | 10.1021/jm020895l | ||
| CHEMBL172233 | 59647 | 0 | None | -60 | 6 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 324 | 7 | 0 | 2 | 4.5 | CC(C1=C(CCN(C)CCF)Cc2ccccc21)c1ccccn1 | 10.1021/jm020895l | ||
| 145963288 | 161591 | 0 | None | -2 | 5 | Human | 6.4 | pKi | = | 6.4 | 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 | -2 | 5 | Human | 6.4 | pKi | = | 6.4 | 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 | ||
| 109018479 | 181794 | 1 | None | -3 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 284 | 5 | 1 | 3 | 2.7 | O=C(CCN1CCCc2ccccc21)NCc1ccco1 | 10.1016/j.bmcl.2020.127632 | ||
| CHEMBL4778178 | 181794 | 1 | None | -3 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 284 | 5 | 1 | 3 | 2.7 | O=C(CCN1CCCc2ccccc21)NCc1ccco1 | 10.1016/j.bmcl.2020.127632 | ||
| 24894630 | 188945 | 0 | None | -2 | 5 | Human | 5.4 | pKi | = | 5.4 | 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 | 5.4 | pKi | = | 5.4 | 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 | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 180 | 1 | 0 | 1 | 2.5 | Cc1ccc(C2CCC[N+]2(C)C)o1 | 10.1021/jm800145d | ||
| 24882532 | 95088 | 0 | None | -35 | 5 | Rat | 6.4 | pKi | = | 6.4 | 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 | -35 | 5 | Rat | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 363 | 6 | 1 | 3 | 4.4 | CCN1CCN(c2ccc(NC(=O)CCC3CCCC3)cc2Cl)CC1 | 10.1016/j.bmcl.2007.12.051 | ||
| 4189 | 206899 | 96 | None | -10 | 34 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | ||
| CHEMBL1559 | 206899 | 96 | None | -10 | 34 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | ||
| CHEMBL91 | 206899 | 96 | None | -10 | 34 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | ||
| 118719926 | 115754 | 0 | None | -102 | 8 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 358 | 9 | 1 | 3 | 3.6 | O=C1CCc2ccccc2N1CCCN1CCC(CCCCCO)CC1 | 10.1021/jm501173q | ||
| CHEMBL3354073 | 115754 | 0 | None | -102 | 8 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 358 | 9 | 1 | 3 | 3.6 | O=C1CCc2ccccc2N1CCCN1CCC(CCCCCO)CC1 | 10.1021/jm501173q | ||
| 44593619 | 187436 | 0 | None | -3 | 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 | ||
| CHEMBL493980 | 187436 | 0 | None | -3 | 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 | ||
| 46227457 | 14102 | 0 | None | -2 | 5 | Human | 4.4 | pKi | = | 4.4 | 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 | -2 | 5 | Human | 4.4 | pKi | = | 4.4 | 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 | -2 | 5 | Human | 4.4 | pKi | = | 4.4 | 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 | ||
| 71454562 | 79625 | 0 | None | -6 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 436 | 6 | 0 | 4 | 5.5 | COc1ccc([S@+]([O-])c2ccc(C(C#N)C3CCN(C4CCCCC4)CC3)cc2)cc1 | 10.1016/s0960-894x(00)00437-6 | ||
| CHEMBL2115126 | 79625 | 0 | None | -6 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 436 | 6 | 0 | 4 | 5.5 | COc1ccc([S@+]([O-])c2ccc(C(C#N)C3CCN(C4CCCCC4)CC3)cc2)cc1 | 10.1016/s0960-894x(00)00437-6 | ||
| 44318736 | 106994 | 0 | None | -1 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 276 | 3 | 1 | 5 | 2.0 | O=C(OC1CC2CCCC1N2)c1ccc([N+](=O)[O-])cc1 | 10.1021/jm9904001 | ||
| CHEMBL315428 | 106994 | 0 | None | -1 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 276 | 3 | 1 | 5 | 2.0 | O=C(OC1CC2CCCC1N2)c1ccc([N+](=O)[O-])cc1 | 10.1021/jm9904001 | ||
| 44439409 | 91187 | 0 | None | -44 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 322 | 5 | 0 | 3 | 4.0 | CC(=O)OC1CCc2ccc(/N=C/N(C)Cc3ccccc3)cc21 | 10.1016/j.bmcl.2007.01.093 | ||
| CHEMBL240025 | 91187 | 0 | None | -44 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 322 | 5 | 0 | 3 | 4.0 | CC(=O)OC1CCc2ccc(/N=C/N(C)Cc3ccccc3)cc21 | 10.1016/j.bmcl.2007.01.093 | ||
| 44439407 | 167391 | 0 | None | -1 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 424 | 8 | 0 | 4 | 5.9 | CCCCSC1CCc2ccc(/N=C/N3CCc4cc(OC)c(OC)cc4C3)cc21 | 10.1016/j.bmcl.2007.01.093 | ||
| CHEMBL429644 | 167391 | 0 | None | -1 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 424 | 8 | 0 | 4 | 5.9 | CCCCSC1CCc2ccc(/N=C/N3CCc4cc(OC)c(OC)cc4C3)cc21 | 10.1016/j.bmcl.2007.01.093 | ||
| 124 | 2960 | 47 | None | -77 | 33 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | nan | ||
| 2032 | 2960 | 47 | None | -77 | 33 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | nan | ||
| 4636 | 2960 | 47 | None | -77 | 33 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | nan | ||
| CHEMBL762 | 2960 | 47 | None | -77 | 33 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | nan | ||
| DB00935 | 2960 | 47 | None | -77 | 33 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | nan | ||
| 11834199 | 58741 | 0 | None | -10 | 5 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 320 | 7 | 0 | 2 | 4.9 | CCN(CC)CCC1=C(C(C)c2ccccn2)c2ccccc2C1 | 10.1021/jm020895l | ||
| CHEMBL168704 | 58741 | 0 | None | -10 | 5 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 320 | 7 | 0 | 2 | 4.9 | CCN(CC)CCC1=C(C(C)c2ccccn2)c2ccccc2C1 | 10.1021/jm020895l | ||
| 164614830 | 188476 | 0 | None | -46 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 889 | 20 | 10 | 13 | -1.7 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCNC(=N)N)NCCN1CCN(CC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4858774 | 188476 | 0 | None | -46 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 889 | 20 | 10 | 13 | -1.7 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCNC(=N)N)NCCN1CCN(CC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028275 | 188476 | 0 | None | -46 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 889 | 20 | 10 | 13 | -1.7 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCNC(=N)N)NCCN1CCN(CC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 44422697 | 11820 | 0 | None | -8 | 5 | Human | 4.3 | pKi | = | 4.3 | 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 | ||
| CHEMBL1182277 | 11820 | 0 | None | -8 | 5 | Human | 4.3 | pKi | = | 4.3 | 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 | ||
| CHEMBL227429 | 11820 | 0 | None | -8 | 5 | Human | 4.3 | pKi | = | 4.3 | 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 | ||
| 44593624 | 188105 | 0 | None | -4 | 5 | Human | 6.3 | pKi | = | 6.3 | 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 | -4 | 5 | Human | 6.3 | pKi | = | 6.3 | 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 | -4 | 5 | Human | 6.3 | pKi | = | 6.3 | 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 | ||
| 164623530 | 188549 | 0 | None | -61 | 2 | 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](CCCNC(=N)N)NCCN1CCN(CC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4872632 | 188549 | 0 | None | -61 | 2 | 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](CCCNC(=N)N)NCCN1CCN(CC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028763 | 188549 | 0 | None | -61 | 2 | 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](CCCNC(=N)N)NCCN1CCN(CC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 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 | ||
| 11523051 | 96260 | 0 | None | -3 | 5 | Human | 4.3 | pKi | = | 4.3 | 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 | -3 | 5 | Human | 4.3 | pKi | = | 4.3 | 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 | -3 | 5 | Human | 4.3 | pKi | = | 4.3 | 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 | ||
| 11759058 | 120823 | 0 | None | -1 | 5 | Human | 4.3 | pKi | = | 4.3 | 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 | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 321 | 6 | 1 | 3 | 2.3 | CN(C)CCNC(=O)C1=C(Cc2cccnc2)c2ccccc2C1 | 10.1021/jm020895l | ||
| 124087 | 1377 | 114 | None | -7 | 15 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | nan | ||
| 7157 | 1377 | 114 | None | -7 | 15 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | nan | ||
| 814 | 1377 | 114 | None | -7 | 15 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | nan | ||
| CHEMBL1172 | 1377 | 114 | None | -7 | 15 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | nan | ||
| DB00967 | 1377 | 114 | None | -7 | 15 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | nan | ||
| 71452382 | 83765 | 0 | None | -14 | 10 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 309 | 4 | 1 | 3 | 2.0 | COc1ccc(CCN2C3C4C5CC6C7C5C3C7C2(O)C64)cc1 | 10.1016/j.bmcl.2012.08.046 | ||
| CHEMBL2205812 | 83765 | 0 | None | -14 | 10 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 309 | 4 | 1 | 3 | 2.0 | COc1ccc(CCN2C3C4C5CC6C7C5C3C7C2(O)C64)cc1 | 10.1016/j.bmcl.2012.08.046 | ||
| 44448538 | 12387 | 0 | None | -1 | 5 | Human | 5.3 | pKi | = | 5.3 | 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 | -1 | 5 | Human | 5.3 | pKi | = | 5.3 | 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 | -1 | 5 | Human | 5.3 | pKi | = | 5.3 | 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 | ||
| 24894516 | 172684 | 0 | None | -3 | 5 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 165 | 1 | 0 | 2 | 2.4 | Cc1ccc([C@@H]2CCCN2C)o1 | 10.1021/jm800145d | ||
| CHEMBL450463 | 172684 | 0 | None | -3 | 5 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 165 | 1 | 0 | 2 | 2.4 | Cc1ccc([C@@H]2CCCN2C)o1 | 10.1021/jm800145d | ||
| 44318736 | 106994 | 0 | None | -1 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 276 | 3 | 1 | 5 | 2.0 | O=C(OC1CC2CCCC1N2)c1ccc([N+](=O)[O-])cc1 | 10.1021/jm9904001 | ||
| CHEMBL315428 | 106994 | 0 | None | -1 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 276 | 3 | 1 | 5 | 2.0 | O=C(OC1CC2CCCC1N2)c1ccc([N+](=O)[O-])cc1 | 10.1021/jm9904001 | ||
| 16086064 | 79931 | 0 | None | -93 | 5 | Human | 7.3 | pKi | = | 7.3 | 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 | -93 | 5 | Human | 7.3 | pKi | = | 7.3 | 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 | ||
| 16086003 | 80402 | 0 | None | -114 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 608 | 9 | 3 | 5 | 3.5 | O=C(NCC1CCNCC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1 | 10.1021/jm051205r | ||
| CHEMBL214642 | 80402 | 0 | None | -114 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 608 | 9 | 3 | 5 | 3.5 | O=C(NCC1CCNCC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1 | 10.1021/jm051205r | ||
| 1212 | 1649 | 50 | None | -501 | 66 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
| 204 | 1649 | 50 | None | -501 | 66 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
| 3372 | 1649 | 50 | None | -501 | 66 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
| CHEMBL726 | 1649 | 50 | None | -501 | 66 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
| DB00623 | 1649 | 50 | None | -501 | 66 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
| CHEMBL5277670 | 193919 | 0 | None | -1 | 5 | Human | 8.3 | pKi | = | 8.3 | 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 | ||
| 3158 | 56237 | 27 | None | -40 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 279 | 3 | 0 | 2 | 4.0 | CN(C)CCC=C1c2ccccc2COc2ccccc21 | nan | ||
| CHEMBL1628227 | 56237 | 27 | None | -40 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 279 | 3 | 0 | 2 | 4.0 | CN(C)CCC=C1c2ccccc2COc2ccccc21 | nan | ||
| 10030021 | 169855 | 12 | None | -6 | 5 | Human | 7.3 | pKi | = | 7.3 | 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 | -6 | 5 | Human | 7.3 | pKi | = | 7.3 | 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 | ||
| 10105296 | 205899 | 0 | None | 1 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 231 | 2 | 1 | 3 | 2.1 | O=C(OC1CC2CCCC1N2)c1ccccc1 | 10.1021/jm9904001 | ||
| CHEMBL84113 | 205899 | 0 | None | 1 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 231 | 2 | 1 | 3 | 2.1 | O=C(OC1CC2CCCC1N2)c1ccccc1 | 10.1021/jm9904001 | ||
| 4746 | 204868 | 31 | None | 1 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 277 | 4 | 1 | 1 | 5.3 | C1CCC(C(CC2CCCCN2)C2CCCCC2)CC1 | nan | ||
| CHEMBL1334033 | 204868 | 31 | None | 1 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 277 | 4 | 1 | 1 | 5.3 | C1CCC(C(CC2CCCCN2)C2CCCCC2)CC1 | nan | ||
| CHEMBL75880 | 204868 | 31 | None | 1 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 277 | 4 | 1 | 1 | 5.3 | C1CCC(C(CC2CCCCN2)C2CCCCC2)CC1 | nan | ||
| 44439397 | 91183 | 0 | None | -22 | 3 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 437 | 4 | 0 | 5 | 4.7 | COc1cc2c(cc1OC)CN(/C=N/c1ccc3c(c1)N(C(=O)OC(C)(C)C)CC3)CC2 | 10.1016/j.bmcl.2007.01.093 | ||
| CHEMBL240021 | 91183 | 0 | None | -22 | 3 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 437 | 4 | 0 | 5 | 4.7 | COc1cc2c(cc1OC)CN(/C=N/c1ccc3c(c1)N(C(=O)OC(C)(C)C)CC3)CC2 | 10.1016/j.bmcl.2007.01.093 | ||
| 44593621 | 193273 | 0 | None | -3 | 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 | ||
| CHEMBL524061 | 193273 | 0 | None | -3 | 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 | ||
| 162353376 | 180403 | 0 | None | -3 | 3 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 274 | 3 | 1 | 3 | 1.4 | O=C(CCN1CCCc2ccccc21)N1CCC(O)C1 | 10.1016/j.bmcl.2020.127632 | ||
| CHEMBL4752380 | 180403 | 0 | None | -3 | 3 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 274 | 3 | 1 | 3 | 1.4 | O=C(CCN1CCCc2ccccc21)N1CCC(O)C1 | 10.1016/j.bmcl.2020.127632 | ||
| 176 | 397 | 66 | None | -1 | 31 | Human | 6.3 | pKi | = | 6.3 | 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 | -1 | 31 | Human | 6.3 | pKi | = | 6.3 | 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 | -1 | 31 | Human | 6.3 | pKi | = | 6.3 | 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 | -1 | 31 | Human | 6.3 | pKi | = | 6.3 | 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 | -1 | 31 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | ||
| 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 | ||
| 44593616 | 193190 | 0 | None | -4 | 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 | ||
| CHEMBL523518 | 193190 | 0 | None | -4 | 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 | ||
| 145962050 | 161608 | 0 | None | -2 | 5 | Human | 6.3 | pKi | = | 6.3 | 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 | -2 | 5 | Human | 6.3 | pKi | = | 6.3 | 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 | ||
| 164625211 | 188564 | 0 | None | -15 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 888 | 20 | 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)CC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4869865 | 188564 | 0 | None | -15 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 888 | 20 | 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)CC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028864 | 188564 | 0 | None | -15 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 888 | 20 | 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)CC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 137635734 | 156088 | 0 | None | -177 | 8 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 377 | 7 | 0 | 3 | 3.2 | O=C1CCc2ccccc2N1CCCN1CCN(CCc2ccccc2)CC1 | 10.1021/acs.jmedchem.8b00265 | ||
| CHEMBL4063176 | 156088 | 0 | None | -177 | 8 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 377 | 7 | 0 | 3 | 3.2 | O=C1CCc2ccccc2N1CCCN1CCN(CCc2ccccc2)CC1 | 10.1021/acs.jmedchem.8b00265 | ||
| 24894109 | 189004 | 0 | None | -3 | 5 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 180 | 1 | 0 | 1 | 2.5 | Cc1ccc([C@@H]2CCC[N+]2(C)C)o1 | 10.1021/jm800145d | ||
| CHEMBL509202 | 189004 | 0 | None | -3 | 5 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 180 | 1 | 0 | 1 | 2.5 | Cc1ccc([C@@H]2CCC[N+]2(C)C)o1 | 10.1021/jm800145d | ||
| CHEMBL551563 | 189004 | 0 | None | -3 | 5 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 180 | 1 | 0 | 1 | 2.5 | Cc1ccc([C@@H]2CCC[N+]2(C)C)o1 | 10.1021/jm800145d | ||
| 4715419 | 188717 | 34 | None | -12 | 5 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 151 | 1 | 1 | 2 | 2.0 | Cc1ccc(C2CCCN2)o1 | 10.1021/jm800145d | ||
| CHEMBL505086 | 188717 | 34 | None | -12 | 5 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 151 | 1 | 1 | 2 | 2.0 | Cc1ccc(C2CCCN2)o1 | 10.1021/jm800145d | ||
| 71457691 | 83770 | 0 | None | -1 | 10 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 295 | 3 | 1 | 3 | 2.0 | COc1ccccc1CN1C2C3C4CC5C6C4C2C6C1(O)C53 | 10.1016/j.bmcl.2012.08.046 | ||
| CHEMBL2205823 | 83770 | 0 | None | -1 | 10 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 295 | 3 | 1 | 3 | 2.0 | COc1ccccc1CN1C2C3C4CC5C6C4C2C6C1(O)C53 | 10.1016/j.bmcl.2012.08.046 | ||
| 1224 | 1420 | 83 | None | -3 | 13 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | nan | ||
| 3100 | 1420 | 83 | None | -3 | 13 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | nan | ||
| 8980 | 1420 | 83 | None | -3 | 13 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | nan | ||
| 916 | 1420 | 83 | None | -3 | 13 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | nan | ||
| CHEMBL657 | 1420 | 83 | None | -3 | 13 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | nan | ||
| DB01075 | 1420 | 83 | None | -3 | 13 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | nan | ||
| 122387446 | 138251 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 355 | 3 | 2 | 5 | 2.9 | COc1nc2sc(C(=O)NC3CC3)c(N)c2c(C)c1Br | 10.1039/C5MD00334B | ||
| CHEMBL3770667 | 138251 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 355 | 3 | 2 | 5 | 2.9 | COc1nc2sc(C(=O)NC3CC3)c(N)c2c(C)c1Br | 10.1039/C5MD00334B | ||
| 122387446 | 138251 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 355 | 3 | 2 | 5 | 2.9 | COc1nc2sc(C(=O)NC3CC3)c(N)c2c(C)c1Br | 10.1039/C5MD00334B | ||
| CHEMBL3770667 | 138251 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 355 | 3 | 2 | 5 | 2.9 | COc1nc2sc(C(=O)NC3CC3)c(N)c2c(C)c1Br | 10.1039/C5MD00334B | ||
| 162353374 | 180019 | 0 | None | -1 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 286 | 3 | 0 | 2 | 3.2 | CC1CCCCN1C(=O)CCN1CCCc2ccccc21 | 10.1016/j.bmcl.2020.127632 | ||
| CHEMBL4747590 | 180019 | 0 | None | -1 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 286 | 3 | 0 | 2 | 3.2 | CC1CCCCN1C(=O)CCN1CCCc2ccccc21 | 10.1016/j.bmcl.2020.127632 | ||
| 16086066 | 139210 | 0 | None | -134 | 5 | Human | 7.3 | pKi | = | 7.3 | 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 | -134 | 5 | Human | 7.3 | pKi | = | 7.3 | 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 | ||
| 26987 | 946 | 33 | None | -38 | 21 | Human | 7.3 | pKi | = | 7.3 | 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 | -38 | 21 | Human | 7.3 | pKi | = | 7.3 | 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 | -38 | 21 | Human | 7.3 | pKi | = | 7.3 | 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 | -38 | 21 | Human | 7.3 | pKi | = | 7.3 | 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 | -38 | 21 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | 10.1038/s41586-020-2286-9 | ||
| 3168 | 9230 | 92 | None | -89 | 22 | Human | 6.3 | pKi | = | 6.3 | 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 | -89 | 22 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 379 | 6 | 1 | 4 | 3.7 | O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1 | nan | ||
| 10418420 | 70244 | 0 | None | -40 | 4 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 955 | 27 | 0 | 10 | 10.9 | CN(CCCCCCCCN(C)CCCCCCN1CCC2(CC1)OC(=O)C(c1ccccc1)(c1ccccc1)O2)CCCCCCN1CCC2(CC1)OC(=O)C(c1ccccc1)(c1ccccc1)O2 | 10.1016/0960-894X(95)00113-8 | ||
| CHEMBL194216 | 70244 | 0 | None | -40 | 4 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 955 | 27 | 0 | 10 | 10.9 | CN(CCCCCCCCN(C)CCCCCCN1CCC2(CC1)OC(=O)C(c1ccccc1)(c1ccccc1)O2)CCCCCCN1CCC2(CC1)OC(=O)C(c1ccccc1)(c1ccccc1)O2 | 10.1016/0960-894X(95)00113-8 | ||
| 46227487 | 14095 | 0 | None | -1 | 4 | Human | 4.3 | pKi | = | 4.3 | 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 | 4.3 | pKi | = | 4.3 | 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 | 4.3 | pKi | = | 4.3 | 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 | ||
| 24841480 | 183875 | 0 | None | -26 | 20 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 340 | 3 | 0 | 4 | 4.5 | O=C(OCCN1CCCC1)N1c2ccccc2Sc2ccccc21 | 10.1016/j.bmcl.2013.04.082 | ||
| CHEMBL481153 | 183875 | 0 | None | -26 | 20 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 340 | 3 | 0 | 4 | 4.5 | O=C(OCCN1CCCC1)N1c2ccccc2Sc2ccccc21 | 10.1016/j.bmcl.2013.04.082 | ||
| 44627854 | 197686 | 0 | None | -2 | 5 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 339 | 4 | 1 | 3 | 4.9 | CN1CCC[C@H]1c1ccc([C@](O)(c2ccccc2)C2CCCCC2)o1 | 10.1021/jm901048j | ||
| CHEMBL571341 | 197686 | 0 | None | -2 | 5 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 339 | 4 | 1 | 3 | 4.9 | CN1CCC[C@H]1c1ccc([C@](O)(c2ccccc2)C2CCCCC2)o1 | 10.1021/jm901048j | ||
| 44437256 | 12364 | 0 | None | -1 | 4 | Human | 5.3 | pKi | = | 5.3 | 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 | 5.3 | pKi | = | 5.3 | 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 | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 282 | 4 | 0 | 4 | 2.8 | C(#CCN1CCCC1)COc1cc(-c2ccccc2)on1 | 10.1016/j.bmc.2007.09.003 | ||
| 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 | ||
| 3652 | 46214 | 70 | None | -1 | 9 | Human | 5.3 | pKi | = | 5.3 | 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 | -1 | 9 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 335 | 9 | 2 | 4 | 3.8 | CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12 | 10.1038/s41586-020-2286-9 | ||
| 10066369 | 120232 | 0 | None | -22 | 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 | -22 | 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 | ||
| 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 | ||
| 103 | 4122 | 61 | None | -190 | 54 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | 10.1021/jm030480f | ||
| 2875 | 4122 | 61 | None | -190 | 54 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | 10.1021/jm030480f | ||
| 5736 | 4122 | 61 | None | -190 | 54 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | 10.1021/jm030480f | ||
| CHEMBL285802 | 4122 | 61 | None | -190 | 54 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | 10.1021/jm030480f | ||
| DB09225 | 4122 | 61 | None | -190 | 54 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | 10.1021/jm030480f | ||
| 5318 | 15544 | 49 | None | 1 | 13 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 396 | 6 | 0 | 3 | 6.5 | Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | ||
| CHEMBL1200348 | 15544 | 49 | None | 1 | 13 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 396 | 6 | 0 | 3 | 6.5 | Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | ||
| CHEMBL1221 | 15544 | 49 | None | 1 | 13 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 396 | 6 | 0 | 3 | 6.5 | Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | ||
| 155548586 | 176573 | 0 | None | -10 | 5 | Human | 7.3 | pKi | = | 7.3 | 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 | -10 | 5 | Human | 7.3 | pKi | = | 7.3 | 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 | -10 | 5 | Human | 7.3 | pKi | = | 7.3 | 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 | ||
| 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 | ||
| 24894514 | 172710 | 3 | None | -1 | 5 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 151 | 1 | 0 | 2 | 2.0 | CN1CCC[C@H]1c1ccco1 | 10.1021/jm800145d | ||
| CHEMBL450729 | 172710 | 3 | None | -1 | 5 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 151 | 1 | 0 | 2 | 2.0 | CN1CCC[C@H]1c1ccco1 | 10.1021/jm800145d | ||
| 14537188 | 136521 | 0 | None | -173 | 5 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 341 | 8 | 1 | 4 | 3.6 | CCN(CC)CCOC(=O)C(C)(c1ccccc1)c1ccc(O)cc1 | 10.1016/j.bmc.2013.01.072 | ||
| CHEMBL37372 | 136521 | 0 | None | -173 | 5 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 341 | 8 | 1 | 4 | 3.6 | CCN(CC)CCOC(=O)C(C)(c1ccccc1)c1ccc(O)cc1 | 10.1016/j.bmc.2013.01.072 | ||
| 155543345 | 176662 | 0 | None | -6 | 5 | Human | 7.2 | pKi | = | 7.2 | 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 | -6 | 5 | Human | 7.2 | pKi | = | 7.2 | 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 | -6 | 5 | Human | 7.2 | pKi | = | 7.2 | 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 | ||
| 71575652 | 86169 | 0 | None | -10 | 5 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 381 | 5 | 0 | 4 | 3.6 | CN1CCC(c2ccccc2F)=C(C(=O)OCCc2ccc3c(c2)CCO3)C1 | 10.1021/jm301774u | ||
| CHEMBL2312352 | 86169 | 0 | None | -10 | 5 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 381 | 5 | 0 | 4 | 3.6 | CN1CCC(c2ccccc2F)=C(C(=O)OCCc2ccc3c(c2)CCO3)C1 | 10.1021/jm301774u | ||
| 137645938 | 157559 | 0 | None | -416 | 8 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 342 | 8 | 0 | 2 | 4.6 | CCCCCC1CCN(CCCN2C(=O)CCc3ccccc32)CC1 | 10.1021/acs.jmedchem.8b00265 | ||
| CHEMBL4080675 | 157559 | 0 | None | -416 | 8 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 342 | 8 | 0 | 2 | 4.6 | CCCCCC1CCN(CCCN2C(=O)CCc3ccccc32)CC1 | 10.1021/acs.jmedchem.8b00265 | ||
| 2719 | 914 | 74 | None | -5 | 11 | Human | 5.2 | pKi | = | 5.2 | 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 | -5 | 11 | Human | 5.2 | pKi | = | 5.2 | 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 | -5 | 11 | Human | 5.2 | pKi | = | 5.2 | 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 | -5 | 11 | Human | 5.2 | pKi | = | 5.2 | 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 | -5 | 11 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 319 | 8 | 1 | 3 | 4.8 | CCN(CCCC(Nc1ccnc2c1ccc(c2)Cl)C)CC | 10.1038/s41586-020-2286-9 | ||
| 162353379 | 180938 | 0 | None | -3 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 244 | 3 | 0 | 2 | 2.1 | O=C(CCN1CCCc2ccccc21)N1CCC1 | 10.1016/j.bmcl.2020.127632 | ||
| CHEMBL4758449 | 180938 | 0 | None | -3 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 244 | 3 | 0 | 2 | 2.1 | O=C(CCN1CCCc2ccccc21)N1CCC1 | 10.1016/j.bmcl.2020.127632 | ||
| 46227461 | 14104 | 0 | None | -1 | 5 | Human | 4.2 | pKi | = | 4.2 | 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 | 4.2 | pKi | = | 4.2 | 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 | 4.2 | pKi | = | 4.2 | 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 | ||
| 4011 | 82379 | 49 | None | -11 | 24 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 277 | 4 | 1 | 1 | 4.2 | CNCCCC12CCC(c3ccccc31)c1ccccc12 | nan | ||
| CHEMBL21731 | 82379 | 49 | None | -11 | 24 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 277 | 4 | 1 | 1 | 4.2 | CNCCCC12CCC(c3ccccc31)c1ccccc12 | nan | ||
| 164620270 | 188518 | 0 | None | -50 | 5 | Human | 7.2 | pKi | = | 7.2 | 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 | -50 | 5 | Human | 7.2 | pKi | = | 7.2 | 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 | -50 | 5 | Human | 7.2 | pKi | = | 7.2 | 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 | ||
| 44593625 | 188106 | 0 | None | -5 | 5 | Human | 7.2 | pKi | = | 7.2 | 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 | -5 | 5 | Human | 7.2 | pKi | = | 7.2 | 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 | -5 | 5 | Human | 7.2 | pKi | = | 7.2 | 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 | ||
| 156015971 | 178258 | 0 | None | -3 | 5 | Human | 7.2 | pKi | = | 7.2 | 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 | 7.2 | pKi | = | 7.2 | 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 | 7.2 | pKi | = | 7.2 | 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 | ||
| 164627575 | 188584 | 0 | None | -33 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 859 | 21 | 8 | 11 | 1.4 | CC(=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(C(=O)CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4873979 | 188584 | 0 | None | -33 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 859 | 21 | 8 | 11 | 1.4 | CC(=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(C(=O)CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5029004 | 188584 | 0 | None | -33 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 859 | 21 | 8 | 11 | 1.4 | CC(=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(C(=O)CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 118719925 | 115753 | 0 | None | -7 | 8 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 330 | 7 | 1 | 3 | 2.8 | O=C1CCc2ccccc2N1CCCN1CCC(CCCO)CC1 | 10.1021/jm501173q | ||
| CHEMBL3354072 | 115753 | 0 | None | -7 | 8 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 330 | 7 | 1 | 3 | 2.8 | O=C1CCc2ccccc2N1CCCN1CCC(CCCO)CC1 | 10.1021/jm501173q | ||
| 162353381 | 180005 | 0 | None | -52 | 3 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 287 | 4 | 1 | 4 | 2.9 | O=C(CCN1CCCc2ccccc21)Nc1nccs1 | 10.1016/j.bmcl.2020.127632 | ||
| CHEMBL4747438 | 180005 | 0 | None | -52 | 3 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 287 | 4 | 1 | 4 | 2.9 | O=C(CCN1CCCc2ccccc21)Nc1nccs1 | 10.1016/j.bmcl.2020.127632 | ||
| 162353380 | 182470 | 0 | None | -1 | 3 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 259 | 2 | 0 | 3 | 1.8 | O=C(CN1CCCc2cnccc21)N1CCCCC1 | 10.1016/j.bmcl.2020.127632 | ||
| CHEMBL4786868 | 182470 | 0 | None | -1 | 3 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 259 | 2 | 0 | 3 | 1.8 | O=C(CN1CCCc2cnccc21)N1CCCCC1 | 10.1016/j.bmcl.2020.127632 | ||
| 24894633 | 176876 | 0 | None | -3 | 5 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 165 | 1 | 0 | 2 | 2.4 | Cc1ccc([C@H]2CCCN2C)o1 | 10.1021/jm800145d | ||
| CHEMBL461709 | 176876 | 0 | None | -3 | 5 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 165 | 1 | 0 | 2 | 2.4 | Cc1ccc([C@H]2CCCN2C)o1 | 10.1021/jm800145d | ||
| 9843967 | 155434 | 1 | None | -1 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 400 | 7 | 1 | 5 | 3.4 | Nc1cccc(-c2ccc(CCN3CCN(CC(=O)c4ccccc4)CC3)cc2)n1 | 10.1016/s0960-894x(99)00432-1 | ||
| CHEMBL40391 | 155434 | 1 | None | -1 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 400 | 7 | 1 | 5 | 3.4 | Nc1cccc(-c2ccc(CCN3CCN(CC(=O)c4ccccc4)CC3)cc2)n1 | 10.1016/s0960-894x(99)00432-1 | ||
| 137645406 | 157878 | 0 | None | -74 | 13 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 491 | 8 | 0 | 7 | 5.4 | COc1ccccc1N1CCC2(CCN(CCCSc3nnc(-c4ccccc4)n3C)CC2)CC1 | 10.1021/acs.jmedchem.9b00412 | ||
| CHEMBL4084262 | 157878 | 0 | None | -74 | 13 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 491 | 8 | 0 | 7 | 5.4 | COc1ccccc1N1CCC2(CCN(CCCSc3nnc(-c4ccccc4)n3C)CC2)CC1 | 10.1021/acs.jmedchem.9b00412 | ||
| 73355420 | 92522 | 0 | None | -2 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 355 | 6 | 0 | 4 | 3.3 | COc1cc(CN(C)[C@H]2C3C4CC5C6C4CC3C6C52)cc(OC)c1OC | 10.1016/j.bmc.2013.07.045 | ||
| CHEMBL2432061 | 92522 | 0 | None | -2 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 355 | 6 | 0 | 4 | 3.3 | COc1cc(CN(C)[C@H]2C3C4CC5C6C4CC3C6C52)cc(OC)c1OC | 10.1016/j.bmc.2013.07.045 | ||
| 44437249 | 11840 | 0 | None | -2 | 5 | Human | 5.2 | pKi | = | 5.2 | 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 | -2 | 5 | Human | 5.2 | pKi | = | 5.2 | 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 | -2 | 5 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 235 | 3 | 0 | 3 | 1.6 | Cc1cc(OCC#CC[N+]2(C)CCCC2)no1 | 10.1016/j.bmc.2007.09.003 | ||
| 44437259 | 11847 | 0 | None | -4 | 4 | Human | 5.2 | pKi | = | 5.2 | 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 | -4 | 4 | Human | 5.2 | pKi | = | 5.2 | 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 | -4 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 297 | 4 | 0 | 3 | 3.0 | C[N+]1(CC#CCOc2cc(-c3ccccc3)on2)CCCC1 | 10.1016/j.bmc.2007.09.003 | ||
| 13567081 | 11202 | 0 | None | -5 | 5 | Human | 8.2 | pKi | = | 8.2 | 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 | -5 | 5 | Human | 8.2 | pKi | = | 8.2 | 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 | -5 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 320 | 4 | 0 | 2 | 4.3 | C[N+](C)(C)C[C@@H]1CS[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1021/jm061374r | ||
| 44455198 | 97629 | 0 | None | -1 | 10 | Human | 8.2 | pKi | = | 8.2 | 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 | -1 | 10 | Human | 8.2 | pKi | = | 8.2 | 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 | -1 | 10 | Rat | 8.2 | pKi | = | 8.2 | 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 | -1 | 10 | Rat | 8.2 | pKi | = | 8.2 | 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 | ||
| 135398737 | 955 | 93 | None | -7 | 92 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | ||
| 38 | 955 | 93 | None | -7 | 92 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | ||
| 722 | 955 | 93 | None | -7 | 92 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | ||
| CHEMBL42 | 955 | 93 | None | -7 | 92 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | ||
| DB00363 | 955 | 93 | None | -7 | 92 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | ||
| 132947 | 3835 | 9 | None | -22 | 9 | Human | 8.2 | pKi | = | 8.2 | 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 | -22 | 9 | Human | 8.2 | pKi | = | 8.2 | 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 | -22 | 9 | Human | 8.2 | pKi | = | 8.2 | 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 | -23 | 5 | Human | 8.2 | pKi | = | 8.2 | 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 | -23 | 5 | Human | 8.2 | pKi | = | 8.2 | 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 | ||
| 129989 | 450 | 51 | None | -1 | 9 | Human | 8.2 | pKi | = | 8.2 | 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 | -1 | 9 | Human | 8.2 | pKi | = | 8.2 | 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 | -1 | 9 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 463 | 9 | 1 | 5 | 4.5 | CCN(CCCCC1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | 10.1021/acs.jmedchem.8b01967 | ||
| 11498 | 2997 | 41 | None | 38 | 6 | Human | 8.2 | pKi | = | 8.2 | 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 | 38 | 6 | Human | 8.2 | pKi | = | 8.2 | 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 | 38 | 6 | Human | 8.2 | pKi | = | 8.2 | 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 | ||
| 152278786 | 182728 | 1 | None | -7 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 467 | 5 | 0 | 8 | 2.6 | N#Cc1ccc(N2C3CCC2CN(C(=O)CCS(=O)(=O)c2cccc4ncsc24)C3)nc1 | 10.1021/acsmedchemlett.0c00626 | ||
| CHEMBL4790083 | 182728 | 1 | None | -7 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 467 | 5 | 0 | 8 | 2.6 | N#Cc1ccc(N2C3CCC2CN(C(=O)CCS(=O)(=O)c2cccc4ncsc24)C3)nc1 | 10.1021/acsmedchemlett.0c00626 | ||
| 118719923 | 115751 | 0 | None | 1 | 5 | Human | 8.2 | pKi | = | 8.2 | 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 | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 621 | 18 | 0 | 7 | 7.6 | CN1CCC=C(c2nsnc2OCCCCCCCCCCCC2CCN(CCCN3C(=O)CCc4ccccc43)CC2)C1 | 10.1021/jm501173q | ||
| 44386115 | 131412 | 0 | None | -28 | 5 | Human | 7.2 | pKi | = | 7.2 | 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 | -28 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 650 | 16 | 3 | 4 | 6.2 | O=C(CCCNC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NCCC(=O)NCC1CCCN(CC2CCCCC2)C1 | 10.1021/jm010480k | ||
| 2230 | 464 | 60 | None | -218 | 10 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1021/jm020572p | ||
| 296 | 464 | 60 | None | -218 | 10 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1021/jm020572p | ||
| CHEMBL7303 | 464 | 60 | None | -218 | 10 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1021/jm020572p | ||
| DB04365 | 464 | 60 | None | -218 | 10 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1021/jm020572p | ||
| 11808947 | 59423 | 0 | None | -11 | 5 | Human | 6.2 | pKi | = | 6.2 | 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 | -11 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 306 | 5 | 0 | 2 | 4.5 | CC(C1=C(CN(C)C(C)C)Cc2ccccc21)c1ccccn1 | 10.1021/jm020895l | ||
| 44593627 | 193275 | 0 | None | -4 | 5 | Human | 6.2 | pKi | = | 6.2 | 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 | -4 | 5 | Human | 6.2 | pKi | = | 6.2 | 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 | -4 | 5 | Human | 6.2 | pKi | = | 6.2 | 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 | ||
| 44437295 | 11861 | 0 | None | -6 | 5 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 222 | 2 | 0 | 4 | 1.2 | C(#CCN1CCCCC1)COC1=NOCC1 | 10.1016/j.bmc.2007.09.003 | ||
| CHEMBL1182472 | 11861 | 0 | None | -6 | 5 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 222 | 2 | 0 | 4 | 1.2 | C(#CCN1CCCCC1)COC1=NOCC1 | 10.1016/j.bmc.2007.09.003 | ||
| CHEMBL239866 | 11861 | 0 | None | -6 | 5 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 222 | 2 | 0 | 4 | 1.2 | C(#CCN1CCCCC1)COC1=NOCC1 | 10.1016/j.bmc.2007.09.003 | ||
| 9894173 | 15118 | 4 | None | -69 | 5 | Human | 7.2 | pKi | = | 7.2 | 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 | -69 | 5 | Human | 7.2 | pKi | = | 7.2 | 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 | ||
| 155522355 | 176385 | 0 | None | -47 | 5 | Human | 7.2 | pKi | = | 7.2 | 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 | -47 | 5 | Human | 7.2 | pKi | = | 7.2 | 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 | -47 | 5 | Human | 7.2 | pKi | = | 7.2 | 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 | ||
| 135430667 | 4926 | 0 | None | 35 | 5 | Human | 7.2 | pKi | = | 7.2 | 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 | 35 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 402 | 2 | 1 | 6 | 4.3 | COc1ccc2c(c1)CCN1Cc3c(ccc4[nH]c(C)c(-c5nc(C)no5)c34)OC21 | 10.1021/jm011116o | ||
| 9968046 | 198140 | 0 | None | -3 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 345 | 2 | 0 | 3 | 4.4 | C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@H]3[C@H](/C=C/[C@H]3CCC[C@H](C)N3C)[C@@H]12 | 10.1016/s0960-894x(02)00315-3 | ||
| CHEMBL57485 | 198140 | 0 | None | -3 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 345 | 2 | 0 | 3 | 4.4 | C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@H]3[C@H](/C=C/[C@H]3CCC[C@H](C)N3C)[C@@H]12 | 10.1016/s0960-894x(02)00315-3 | ||
| 11045444 | 59159 | 0 | None | -2 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 320 | 7 | 0 | 2 | 4.9 | CCCC(C1=C(CCN(C)C)Cc2ccccc21)c1ccccn1 | 10.1021/jm020895l | ||
| CHEMBL170088 | 59159 | 0 | None | -2 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 320 | 7 | 0 | 2 | 4.9 | CCCC(C1=C(CCN(C)C)Cc2ccccc21)c1ccccn1 | 10.1021/jm020895l | ||
| 44448417 | 11877 | 0 | None | 1 | 5 | Human | 6.2 | pKi | = | 6.2 | 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 | 6.2 | pKi | = | 6.2 | 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 | 6.2 | pKi | = | 6.2 | 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 | ||
| 66561966 | 74674 | 0 | None | -2 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 193 | 2 | 0 | 1 | 3.2 | C1CCC(CN2C3CCC2CC3)CC1 | 10.1016/j.bmcl.2012.04.077 | ||
| CHEMBL2030625 | 74674 | 0 | None | -2 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 193 | 2 | 0 | 1 | 3.2 | C1CCC(CN2C3CCC2CC3)CC1 | 10.1016/j.bmcl.2012.04.077 | ||
| 73346336 | 92516 | 0 | None | -1 | 6 | Human | 6.2 | pKi | = | 6.2 | 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 | -1 | 6 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 325 | 5 | 0 | 2 | 3.0 | CN(CCCc1cccc(F)c1)[C@H]1C2C3CC4C2C(=O)C2C4C3C21 | 10.1016/j.bmc.2013.07.045 | ||
| 71128 | 96781 | 25 | None | -30 | 8 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 325 | 8 | 0 | 3 | 3.9 | CCN(CC)CCOC(=O)C(C)(c1ccccc1)c1ccccc1 | 10.1016/j.bmc.2013.01.072 | ||
| CHEMBL26505 | 96781 | 25 | None | -30 | 8 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 325 | 8 | 0 | 3 | 3.9 | CCN(CC)CCOC(=O)C(C)(c1ccccc1)c1ccccc1 | 10.1016/j.bmc.2013.01.072 | ||
| 155522355 | 176385 | 0 | None | -47 | 5 | Human | 7.2 | pKi | = | 7.2 | 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 | -47 | 5 | Human | 7.2 | pKi | = | 7.2 | 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 | -47 | 5 | Human | 7.2 | pKi | = | 7.2 | 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 | ||
| 10770914 | 25029 | 0 | None | -213 | 5 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 691 | 25 | 3 | 7 | 6.4 | CN(CCCCCCCCN(C)C(=O)CCCCCNCCCCC(=O)N1c2ccccc2C(=O)Nc2cccnc21)C(=O)CCCCCN | 10.1021/jm981038d | ||
| CHEMBL134692 | 25029 | 0 | None | -213 | 5 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 691 | 25 | 3 | 7 | 6.4 | CN(CCCCCCCCN(C)C(=O)CCCCCNCCCCC(=O)N1c2ccccc2C(=O)Nc2cccnc21)C(=O)CCCCCN | 10.1021/jm981038d | ||
| 16094783 | 136542 | 0 | None | -1 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 399 | 10 | 0 | 11 | 1.6 | COc1nsnc1OCCOCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm0606995 | ||
| CHEMBL373888 | 136542 | 0 | None | -1 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 399 | 10 | 0 | 11 | 1.6 | COc1nsnc1OCCOCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm0606995 | ||
| 164621443 | 188530 | 0 | None | -37 | 3 | Human | 6.2 | pKi | = | 6.2 | 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](CCNC(=N)N)NCCN1CCN(C(=O)CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4867483 | 188530 | 0 | None | -37 | 3 | Human | 6.2 | pKi | = | 6.2 | 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](CCNC(=N)N)NCCN1CCN(C(=O)CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028653 | 188530 | 0 | None | -37 | 3 | Human | 6.2 | pKi | = | 6.2 | 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](CCNC(=N)N)NCCN1CCN(C(=O)CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 2551 | 791 | 23 | None | -21 | 11 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0510878 | ||
| 298 | 791 | 23 | None | -21 | 11 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0510878 | ||
| 488 | 791 | 23 | None | -21 | 11 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0510878 | ||
| CHEMBL965 | 791 | 23 | None | -21 | 11 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0510878 | ||
| DB00411 | 791 | 23 | None | -21 | 11 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0510878 | ||
| 164622564 | 188537 | 0 | None | -25 | 4 | Human | 5.2 | pKi | = | 5.2 | 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 | -25 | 4 | Human | 5.2 | pKi | = | 5.2 | 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 | -25 | 4 | Human | 5.2 | pKi | = | 5.2 | 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 | ||
| 162353371 | 181626 | 0 | None | -2 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 258 | 2 | 0 | 2 | 2.5 | CC1CCc2ccccc2N1CC(=O)N1CCCC1 | 10.1016/j.bmcl.2020.127632 | ||
| CHEMBL4775999 | 181626 | 0 | None | -2 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 258 | 2 | 0 | 2 | 2.5 | CC1CCc2ccccc2N1CC(=O)N1CCCC1 | 10.1016/j.bmcl.2020.127632 | ||
| 2551 | 791 | 23 | None | -21 | 11 | Human | 5.2 | pKi | = | 5.2 | 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 | -21 | 11 | Human | 5.2 | pKi | = | 5.2 | 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 | -21 | 11 | Human | 5.2 | pKi | = | 5.2 | 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 | -21 | 11 | Human | 5.2 | pKi | = | 5.2 | 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 | -21 | 11 | Human | 5.2 | pKi | = | 5.2 | 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 | -21 | 11 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm800145d | ||
| 298 | 791 | 23 | None | -21 | 11 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm800145d | ||
| 488 | 791 | 23 | None | -21 | 11 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm800145d | ||
| CHEMBL965 | 791 | 23 | None | -21 | 11 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm800145d | ||
| DB00411 | 791 | 23 | None | -21 | 11 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm800145d | ||
| 300 | 2493 | 15 | None | -3 | 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 | -3 | 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 | -3 | 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 | -21 | 11 | Human | 5.2 | pKi | = | 5.2 | 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 | -21 | 11 | Human | 5.2 | pKi | = | 5.2 | 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 | -21 | 11 | Human | 5.2 | pKi | = | 5.2 | 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 | -21 | 11 | Human | 5.2 | pKi | = | 5.2 | 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 | -21 | 11 | Human | 5.2 | pKi | = | 5.2 | 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 | -21 | 11 | Human | 5.2 | pKi | = | 5.2 | 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 | -21 | 11 | Human | 5.2 | pKi | = | 5.2 | 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 | -21 | 11 | Human | 5.2 | pKi | = | 5.2 | 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 | -21 | 11 | Human | 5.2 | pKi | = | 5.2 | 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 | -21 | 11 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/j.bmcl.2014.06.020 | ||
| 156010398 | 178212 | 0 | None | -31 | 5 | 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 | ||
| CHEMBL4633895 | 178212 | 0 | None | -31 | 5 | 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 | ||
| CHEMBL4650561 | 178212 | 0 | None | -31 | 5 | 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 | ||
| 657255 | 199061 | 34 | None | -9 | 15 | Human | 6.2 | pKi | = | 6.2 | 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 | -9 | 15 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 337 | 12 | 2 | 3 | 5.6 | CCCCCCCCN[C@H](C)[C@@H](O)c1ccc(SC(C)C)cc1 | nan | ||
| 44627744 | 14008 | 0 | None | -2 | 5 | Human | 7.2 | pKi | = | 7.2 | 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 | -2 | 5 | Human | 7.2 | pKi | = | 7.2 | 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 | -2 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 348 | 4 | 1 | 2 | 4.5 | C[N+]1(C)CCCC1c1ccc(C(O)(c2ccccc2)c2ccccc2)o1 | 10.1021/jm901048j | ||
| 11034265 | 120347 | 0 | None | -5 | 5 | Human | 6.2 | pKi | = | 6.2 | 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 | -5 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 310 | 5 | 0 | 2 | 4.3 | CC(C1=C(CCN(C)C)Cc2ccc(F)cc21)c1ccccn1 | 10.1021/jm020895l | ||
| 162353393 | 179415 | 0 | None | -3 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 312 | 5 | 1 | 2 | 3.3 | O=C(CCN1CCCc2ccccc21)NCc1cccc(F)c1 | 10.1016/j.bmcl.2020.127632 | ||
| CHEMBL4740422 | 179415 | 0 | None | -3 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 312 | 5 | 1 | 2 | 3.3 | O=C(CCN1CCCc2ccccc21)NCc1cccc(F)c1 | 10.1016/j.bmcl.2020.127632 | ||
| 24894628 | 179099 | 0 | None | -2 | 5 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 166 | 1 | 0 | 1 | 2.2 | C[N+]1(C)CCCC1c1ccco1 | 10.1021/jm800145d | ||
| CHEMBL471942 | 179099 | 0 | None | -2 | 5 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 166 | 1 | 0 | 1 | 2.2 | C[N+]1(C)CCCC1c1ccco1 | 10.1021/jm800145d | ||
| CHEMBL554532 | 179099 | 0 | None | -2 | 5 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 166 | 1 | 0 | 1 | 2.2 | C[N+]1(C)CCCC1c1ccco1 | 10.1021/jm800145d | ||
| 15157139 | 99783 | 0 | None | -2 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 331 | 8 | 0 | 3 | 4.4 | CN(C)CCCCOC(=O)C(C)(c1ccccc1)C1CCCCC1 | 10.1021/jm00085a017 | ||
| CHEMBL285440 | 99783 | 0 | None | -2 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 331 | 8 | 0 | 3 | 4.4 | CN(C)CCCCOC(=O)C(C)(c1ccccc1)C1CCCCC1 | 10.1021/jm00085a017 | ||
| 73353884 | 92293 | 0 | None | -5 | 8 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 295 | 3 | 1 | 3 | 2.7 | c1cc2c(cc1CN[C@H]1C3C4CC5C6C4CC3C6C51)OCO2 | 10.1016/j.bmc.2013.07.045 | ||
| CHEMBL2429890 | 92293 | 0 | None | -5 | 8 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 295 | 3 | 1 | 3 | 2.7 | c1cc2c(cc1CN[C@H]1C3C4CC5C6C4CC3C6C51)OCO2 | 10.1016/j.bmc.2013.07.045 | ||
| 71463063 | 83772 | 0 | None | -1 | 8 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 295 | 3 | 1 | 3 | 2.0 | COc1ccc(CN2C3C4C5CC6C7C5C3C7C2(O)C64)cc1 | 10.1016/j.bmcl.2012.08.046 | ||
| CHEMBL2205825 | 83772 | 0 | None | -1 | 8 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 295 | 3 | 1 | 3 | 2.0 | COc1ccc(CN2C3C4C5CC6C7C5C3C7C2(O)C64)cc1 | 10.1016/j.bmcl.2012.08.046 | ||
| 44318851 | 104699 | 0 | None | -1 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 183 | 2 | 1 | 3 | 1.2 | CCC(=O)OC1CC2CCCC1N2 | 10.1021/jm9904001 | ||
| CHEMBL310558 | 104699 | 0 | None | -1 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 183 | 2 | 1 | 3 | 1.2 | CCC(=O)OC1CC2CCCC1N2 | 10.1021/jm9904001 | ||
| 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 | ||
| 25147647 | 182115 | 0 | None | -6 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 405 | 2 | 1 | 5 | 2.9 | CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)[C@@H]2CCCC[C@H]21 | 10.1016/j.bmc.2008.06.025 | ||
| CHEMBL478226 | 182115 | 0 | None | -6 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 405 | 2 | 1 | 5 | 2.9 | CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)[C@@H]2CCCC[C@H]21 | 10.1016/j.bmc.2008.06.025 | ||
| 156009698 | 178312 | 0 | None | -1 | 5 | Human | 7.2 | pKi | = | 7.2 | 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 | -1 | 5 | Human | 7.2 | pKi | = | 7.2 | 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 | -1 | 5 | Human | 7.2 | pKi | = | 7.2 | 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 | ||
| 11015312 | 5242 | 0 | None | 15 | 5 | Human | 7.2 | pKi | = | 7.2 | 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 | 15 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 420 | 5 | 1 | 5 | 4.9 | CCCCOC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3 | 10.1021/jm011116o | ||
| 1016 | 3720 | 78 | None | -12 | 35 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | ||
| 2561 | 3720 | 78 | None | -12 | 35 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | ||
| 2733526 | 3720 | 78 | None | -12 | 35 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | ||
| 5384 | 3720 | 78 | None | -12 | 35 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | ||
| CHEMBL83 | 3720 | 78 | None | -12 | 35 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | ||
| DB00675 | 3720 | 78 | None | -12 | 35 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | ||
| 422063 | 196054 | 2 | None | -4 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 298 | 6 | 0 | 2 | 3.1 | C[N+](C)(C)CCOC(=O)C(c1ccccc1)c1ccccc1 | 10.1016/j.bmc.2013.01.072 | ||
| CHEMBL2377384 | 196054 | 2 | None | -4 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 298 | 6 | 0 | 2 | 3.1 | C[N+](C)(C)CCOC(=O)C(c1ccccc1)c1ccccc1 | 10.1016/j.bmc.2013.01.072 | ||
| CHEMBL560649 | 196054 | 2 | None | -4 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 298 | 6 | 0 | 2 | 3.1 | C[N+](C)(C)CCOC(=O)C(c1ccccc1)c1ccccc1 | 10.1016/j.bmc.2013.01.072 | ||
| 44439394 | 145097 | 0 | None | -398 | 2 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 308 | 3 | 2 | 2 | 4.3 | CSc1ccc(CC2NCCc3c2[nH]c2ccccc32)cc1 | 10.1016/j.bmcl.2007.01.093 | ||
| CHEMBL391191 | 145097 | 0 | None | -398 | 2 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 308 | 3 | 2 | 2 | 4.3 | CSc1ccc(CC2NCCc3c2[nH]c2ccccc32)cc1 | 10.1016/j.bmcl.2007.01.093 | ||
| 73355418 | 92517 | 0 | None | -6 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 325 | 5 | 0 | 3 | 3.3 | COc1ccc(CN(C)[C@H]2C3C4CC5C6C4CC3C6C52)cc1OC | 10.1016/j.bmc.2013.07.045 | ||
| CHEMBL2432056 | 92517 | 0 | None | -6 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 325 | 5 | 0 | 3 | 3.3 | COc1ccc(CN(C)[C@H]2C3C4CC5C6C4CC3C6C52)cc1OC | 10.1016/j.bmc.2013.07.045 | ||
| 24809738 | 11857 | 0 | None | -13 | 4 | Human | 6.2 | pKi | = | 6.2 | 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 | -13 | 4 | Human | 6.2 | pKi | = | 6.2 | 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 | -13 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 209 | 3 | 0 | 3 | 1.1 | Cc1cc(OCC#CC[N+](C)(C)C)no1 | 10.1016/j.bmc.2007.09.003 | ||
| 71450550 | 83778 | 0 | None | -1 | 16 | Human | 6.2 | pKi | = | 6.2 | 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 | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 309 | 4 | 1 | 3 | 2.0 | COc1ccccc1CCN1C2C3C4CC5C6C4C2C6C1(O)C53 | 10.1016/j.bmcl.2012.08.046 | ||
| 164609302 | 188439 | 0 | None | -36 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 704 | 17 | 8 | 9 | 1.5 | CC(=O)N[C@H](CCCN)C(=O)NC(=O)[C@H](CCNC(=N)N)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4846958 | 188439 | 0 | None | -36 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 704 | 17 | 8 | 9 | 1.5 | CC(=O)N[C@H](CCCN)C(=O)NC(=O)[C@H](CCNC(=N)N)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5027951 | 188439 | 0 | None | -36 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 704 | 17 | 8 | 9 | 1.5 | CC(=O)N[C@H](CCCN)C(=O)NC(=O)[C@H](CCNC(=N)N)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 44207909 | 16667 | 3 | None | -26 | 9 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 407 | 7 | 1 | 4 | 2.6 | O=C(Cc1ccccc1)NC1CCN(CCCN2C(=O)COc3ccccc32)CC1 | 10.1021/jm100697g | ||
| CHEMBL1242923 | 16667 | 3 | None | -26 | 9 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 407 | 7 | 1 | 4 | 2.6 | O=C(Cc1ccccc1)NC1CCN(CCCN2C(=O)COc3ccccc32)CC1 | 10.1021/jm100697g | ||
| 44422699 | 11819 | 0 | None | -10 | 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.bmcl.2007.11.073 | ||
| CHEMBL1182272 | 11819 | 0 | None | -10 | 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.bmcl.2007.11.073 | ||
| CHEMBL227378 | 11819 | 0 | None | -10 | 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.bmcl.2007.11.073 | ||
| 24894631 | 176740 | 3 | None | -2 | 5 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 151 | 1 | 0 | 2 | 2.0 | CN1CCCC1c1ccco1 | 10.1021/jm800145d | ||
| CHEMBL460470 | 176740 | 3 | None | -2 | 5 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 151 | 1 | 0 | 2 | 2.0 | CN1CCCC1c1ccco1 | 10.1021/jm800145d | ||
| 73355416 | 92508 | 0 | None | 1 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 280 | 3 | 0 | 3 | 1.8 | CN(Cc1cccnc1)[C@H]1C2C3CC4C2C(=O)C2C4C3C21 | 10.1016/j.bmc.2013.07.045 | ||
| CHEMBL2432043 | 92508 | 0 | None | 1 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 280 | 3 | 0 | 3 | 1.8 | CN(Cc1cccnc1)[C@H]1C2C3CC4C2C(=O)C2C4C3C21 | 10.1016/j.bmc.2013.07.045 | ||
| 11498 | 2997 | 41 | None | 38 | 6 | Human | 8.2 | pKi | = | 8.2 | 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 | 38 | 6 | Human | 8.2 | pKi | = | 8.2 | 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 | 38 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 392 | 3 | 1 | 5 | 4.1 | CCOC(=O)c1c(C)[nH]c2c1c1CN3CCc4c(C3Oc1cc2)ccc(c4)OC | 10.1021/jm011116o | ||
| 11143997 | 4990 | 0 | None | 32 | 5 | Human | 8.2 | pKi | = | 8.2 | 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 | 32 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 408 | 3 | 1 | 5 | 4.8 | CCOC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2cc(SC)ccc2C1O3 | 10.1021/jm011116o | ||
| 315401 | 89783 | 4 | None | -5 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 343 | 8 | 1 | 4 | 3.5 | CCN(CC)CCSC(=O)C(O)(c1ccccc1)c1ccccc1 | 10.1016/j.bmc.2013.01.072 | ||
| CHEMBL2377387 | 89783 | 4 | None | -5 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 343 | 8 | 1 | 4 | 3.5 | CCN(CC)CCSC(=O)C(O)(c1ccccc1)c1ccccc1 | 10.1016/j.bmc.2013.01.072 | ||
| 71128 | 96781 | 25 | None | -30 | 8 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 325 | 8 | 0 | 3 | 3.9 | CCN(CC)CCOC(=O)C(C)(c1ccccc1)c1ccccc1 | 10.1021/jm00085a017 | ||
| CHEMBL26505 | 96781 | 25 | None | -30 | 8 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 325 | 8 | 0 | 3 | 3.9 | CCN(CC)CCOC(=O)C(C)(c1ccccc1)c1ccccc1 | 10.1021/jm00085a017 | ||
| 164621305 | 188528 | 0 | None | -29 | 3 | Human | 8.1 | pKi | = | 8.1 | 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 | ||
| CHEMBL4863285 | 188528 | 0 | None | -29 | 3 | Human | 8.1 | pKi | = | 8.1 | 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 | ||
| CHEMBL5028642 | 188528 | 0 | None | -29 | 3 | Human | 8.1 | pKi | = | 8.1 | 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 | ||
| 164617895 | 188501 | 0 | None | -41 | 5 | Human | 8.1 | pKi | = | 8.1 | 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 | -41 | 5 | Human | 8.1 | pKi | = | 8.1 | 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 | -41 | 5 | Human | 8.1 | pKi | = | 8.1 | 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 | ||
| 137638270 | 156853 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | 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 | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | 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 | ||
| 129989 | 450 | 51 | None | -1 | 9 | Human | 8.1 | pKi | = | 8.1 | 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 | -1 | 9 | Human | 8.1 | pKi | = | 8.1 | 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 | -1 | 9 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 463 | 9 | 1 | 5 | 4.5 | CCN(CCCCC1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | 10.1021/acs.jmedchem.8b01967 | ||
| 118719921 | 115748 | 0 | None | -1 | 5 | Human | 8.1 | pKi | = | 8.1 | 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 | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 537 | 12 | 0 | 7 | 5.3 | CN1CCC=C(c2nsnc2OCCCCCC2CCN(CCCN3C(=O)CCc4ccccc43)CC2)C1 | 10.1021/jm501173q | ||
| 57326325 | 77155 | 0 | None | -1 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 297 | 4 | 0 | 3 | 2.9 | CN(C)C[C@@H]1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm2013216 | ||
| CHEMBL2042554 | 77155 | 0 | None | -1 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 297 | 4 | 0 | 3 | 2.9 | CN(C)C[C@@H]1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm2013216 | ||
| CHEMBL2078987 | 77155 | 0 | None | -1 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 297 | 4 | 0 | 3 | 2.9 | CN(C)C[C@@H]1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm2013216 | ||
| 156014205 | 178268 | 0 | None | -7 | 5 | Human | 7.2 | pKi | = | 7.2 | 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 | -7 | 5 | Human | 7.2 | pKi | = | 7.2 | 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 | -7 | 5 | Human | 7.2 | pKi | = | 7.2 | 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 | ||
| 57326325 | 77155 | 0 | None | -1 | 5 | Human | 7.2 | pKi | = | 7.2 | 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 | -1 | 5 | Human | 7.2 | pKi | = | 7.2 | 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 | -1 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 297 | 4 | 0 | 3 | 2.9 | CN(C)C[C@@H]1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.ejmech.2017.06.004 | ||
| 44439405 | 91783 | 0 | None | -2 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 440 | 4 | 0 | 5 | 5.3 | COc1cc2c(cc1OC)CN(/C=N/c1ccc3c(c1)C1SCCSC1CC3)CC2 | 10.1016/j.bmcl.2007.01.093 | ||
| CHEMBL241282 | 91783 | 0 | None | -2 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 440 | 4 | 0 | 5 | 5.3 | COc1cc2c(cc1OC)CN(/C=N/c1ccc3c(c1)C1SCCSC1CC3)CC2 | 10.1016/j.bmcl.2007.01.093 | ||
| 44318930 | 106145 | 0 | None | 2 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 251 | 2 | 0 | 3 | 2.7 | CN1C2CCCC1C(OC(=O)C1CCCCC1)C2 | 10.1021/jm9904001 | ||
| CHEMBL313738 | 106145 | 0 | None | 2 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 251 | 2 | 0 | 3 | 2.7 | CN1C2CCCC1C(OC(=O)C1CCCCC1)C2 | 10.1021/jm9904001 | ||
| 44439389 | 91751 | 0 | None | -8 | 2 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 324 | 3 | 1 | 5 | 2.8 | COc1ccc2[nH]c3c(c2c1)CCN=C3c1cc([N+](=O)[O-])cn1C | 10.1016/j.bmcl.2007.01.093 | ||
| CHEMBL241099 | 91751 | 0 | None | -8 | 2 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 324 | 3 | 1 | 5 | 2.8 | COc1ccc2[nH]c3c(c2c1)CCN=C3c1cc([N+](=O)[O-])cn1C | 10.1016/j.bmcl.2007.01.093 | ||
| 53324553 | 56825 | 0 | None | 1 | 10 | Human | 6.2 | pKi | = | 6.2 | 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 | 1 | 10 | Human | 6.2 | pKi | = | 6.2 | 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 | 1 | 10 | Human | 6.2 | pKi | = | 6.2 | 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 | 1 | 10 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 283 | 4 | 1 | 1 | 3.1 | Fc1cccc(CCN[C@H]2C3C4CC5C6C4CC3C6C52)c1 | 10.1016/j.bmc.2013.07.045 | ||
| 73352414 | 92503 | 0 | None | 1 | 5 | Human | 6.2 | pKi | = | 6.2 | 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 | 1 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 257 | 3 | 1 | 1 | 3.3 | C1CCC(CN[C@H]2C3C4CC5C6C4CC3C6C52)CC1 | 10.1016/j.bmc.2013.07.045 | ||
| 164613685 | 188465 | 0 | None | -36 | 3 | Human | 6.2 | pKi | = | 6.2 | 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 | ||
| CHEMBL4861655 | 188465 | 0 | None | -36 | 3 | Human | 6.2 | pKi | = | 6.2 | 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 | ||
| CHEMBL5028207 | 188465 | 0 | None | -36 | 3 | Human | 6.2 | pKi | = | 6.2 | 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 | ||
| 164617650 | 188497 | 0 | None | -5 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 676 | 13 | 8 | 9 | -0.1 | CC(=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NCC(=O)NC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4860171 | 188497 | 0 | None | -5 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 676 | 13 | 8 | 9 | -0.1 | CC(=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NCC(=O)NC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028445 | 188497 | 0 | None | -5 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 676 | 13 | 8 | 9 | -0.1 | CC(=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NCC(=O)NC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 3652 | 4066 | 79 | None | -3 | 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 | -3 | 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 | -3 | 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 | -3 | 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 | -3 | 18 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm100697g | ||
| 11092603 | 4829 | 0 | None | 2 | 5 | Human | 7.1 | pKi | = | 7.1 | 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 | 2 | 5 | Human | 7.1 | pKi | = | 7.1 | 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 | ||
| 10874119 | 4875 | 0 | None | 15 | 5 | Human | 7.1 | pKi | = | 7.1 | 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 | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 454 | 4 | 1 | 5 | 5.3 | COc1ccc2c(c1)CCN1Cc3c(ccc4[nH]c(C)c(C(=O)OCc5ccccc5)c34)OC21 | 10.1021/jm011116o | ||
| 164620290 | 188519 | 0 | None | -15 | 4 | Human | 6.1 | pKi | = | 6.1 | 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 | -15 | 4 | Human | 6.1 | pKi | = | 6.1 | 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 | -15 | 4 | Human | 6.1 | pKi | = | 6.1 | 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 | ||
| 137640201 | 156937 | 2 | None | -575 | 13 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 362 | 6 | 0 | 2 | 4.3 | O=C1CCc2ccccc2N1CCCN1CCC(Cc2ccccc2)CC1 | 10.1021/acs.jmedchem.8b00265 | ||
| CHEMBL4072818 | 156937 | 2 | None | -575 | 13 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 362 | 6 | 0 | 2 | 4.3 | O=C1CCc2ccccc2N1CCCN1CCC(Cc2ccccc2)CC1 | 10.1021/acs.jmedchem.8b00265 | ||
| 162353372 | 181363 | 0 | None | -1 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 302 | 4 | 1 | 3 | 2.2 | O=C(CCN1CCCc2ccccc21)N1CCCCC1CO | 10.1016/j.bmcl.2020.127632 | ||
| CHEMBL4763422 | 181363 | 0 | None | -1 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 302 | 4 | 1 | 3 | 2.2 | O=C(CCN1CCCc2ccccc21)N1CCCCC1CO | 10.1016/j.bmcl.2020.127632 | ||
| 156014875 | 178217 | 0 | None | -5 | 5 | Human | 5.1 | pKi | = | 5.1 | 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 | -5 | 5 | Human | 5.1 | pKi | = | 5.1 | 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 | -5 | 5 | Human | 5.1 | pKi | = | 5.1 | 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 | ||
| 73350932 | 92507 | 0 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 339 | 5 | 0 | 4 | 2.5 | COc1ccc(CN(C)[C@H]2C3C4CC5C3C(=O)C3C5C4C32)cc1OC | 10.1016/j.bmc.2013.07.045 | ||
| CHEMBL2432042 | 92507 | 0 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 339 | 5 | 0 | 4 | 2.5 | COc1ccc(CN(C)[C@H]2C3C4CC5C3C(=O)C3C5C4C32)cc1OC | 10.1016/j.bmc.2013.07.045 | ||
| 44385809 | 61436 | 0 | None | -22 | 5 | Human | 7.1 | pKi | = | 7.1 | 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 | -22 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 636 | 15 | 3 | 4 | 5.8 | O=C(CCCNC(=O)CNC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NCC1CCCN(CC2CCCCC2)C1 | 10.1021/jm010480k | ||
| 44448421 | 12305 | 0 | None | 9 | 5 | Human | 7.1 | pKi | = | 7.1 | 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 | 9 | 5 | Human | 7.1 | pKi | = | 7.1 | 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 | 9 | 5 | Human | 7.1 | pKi | = | 7.1 | 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 | ||
| 10925451 | 58742 | 0 | None | -2 | 5 | Human | 6.1 | pKi | = | 6.1 | 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 | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 326 | 5 | 0 | 2 | 4.8 | CC(C1=C(CCN(C)C)Cc2ccc(Cl)cc21)c1ccccn1 | 10.1021/jm020895l | ||
| 10066369 | 120232 | 0 | None | -22 | 6 | Human | 6.1 | pKi | = | 6.1 | 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 | -22 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 348 | 7 | 0 | 2 | 5.7 | CC(C1=C(CCN(C(C)C)C(C)C)Cc2ccccc21)c1ccccn1 | 10.1021/jm020895l | ||
| 11011332 | 120776 | 1 | None | -1 | 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 | -1 | 5 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 278 | 5 | 0 | 2 | 3.6 | CN(C)CCC1=C(Cc2cccnc2)c2ccccc2C1 | 10.1021/jm020895l | ||
| 108993439 | 179836 | 1 | None | -3 | 4 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 244 | 2 | 0 | 2 | 2.1 | CC1Cc2ccccc2N1CC(=O)N1CCCC1 | 10.1016/j.bmcl.2020.127632 | ||
| CHEMBL4745429 | 179836 | 1 | None | -3 | 4 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 244 | 2 | 0 | 2 | 2.1 | CC1Cc2ccccc2N1CC(=O)N1CCCC1 | 10.1016/j.bmcl.2020.127632 | ||
| 49783209 | 17577 | 0 | None | -1318 | 27 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 396 | 7 | 1 | 6 | 3.8 | CCCCN1CCC(COC(=O)c2cc(Cl)c(NC)c3c2OCCO3)CC1 | 10.1021/jm100668r | ||
| CHEMBL1258223 | 17577 | 0 | None | -1318 | 27 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 396 | 7 | 1 | 6 | 3.8 | CCCCN1CCC(COC(=O)c2cc(Cl)c(NC)c3c2OCCO3)CC1 | 10.1021/jm100668r | ||
| 2551 | 791 | 23 | None | -21 | 11 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm020572p | ||
| 298 | 791 | 23 | None | -21 | 11 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm020572p | ||
| 488 | 791 | 23 | None | -21 | 11 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm020572p | ||
| CHEMBL965 | 791 | 23 | None | -21 | 11 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm020572p | ||
| DB00411 | 791 | 23 | None | -21 | 11 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm020572p | ||
| 44627742 | 198354 | 0 | None | -5 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 323 | 4 | 0 | 2 | 5.8 | CN1CCCC1c1ccc(C(c2ccccc2)C2CCCCC2)o1 | 10.1021/jm901048j | ||
| CHEMBL576707 | 198354 | 0 | None | -5 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 323 | 4 | 0 | 2 | 5.8 | CN1CCCC1c1ccc(C(c2ccccc2)C2CCCCC2)o1 | 10.1021/jm901048j | ||
| 109032820 | 182851 | 1 | None | -1 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 286 | 3 | 0 | 2 | 3.1 | CC1CCCN(C(=O)CCN2CCCc3ccccc32)C1 | 10.1016/j.bmcl.2020.127632 | ||
| CHEMBL4791819 | 182851 | 1 | None | -1 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 286 | 3 | 0 | 2 | 3.1 | CC1CCCN(C(=O)CCN2CCCc3ccccc32)C1 | 10.1016/j.bmcl.2020.127632 | ||
| 44439388 | 91744 | 0 | None | -22 | 3 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 306 | 3 | 1 | 3 | 3.6 | COc1cccc(C2=NCCc3c2[nH]c2ccc(OC)cc32)c1 | 10.1016/j.bmcl.2007.01.093 | ||
| CHEMBL241082 | 91744 | 0 | None | -22 | 3 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 306 | 3 | 1 | 3 | 3.6 | COc1cccc(C2=NCCc3c2[nH]c2ccc(OC)cc32)c1 | 10.1016/j.bmcl.2007.01.093 | ||
| 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 | ||
| 10226457 | 12943 | 0 | None | -19 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 423 | 15 | 0 | 7 | 5.1 | CC(=O)OCCCCCCCCCCCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm0301235 | ||
| CHEMBL1189471 | 12943 | 0 | None | -19 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 423 | 15 | 0 | 7 | 5.1 | CC(=O)OCCCCCCCCCCCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm0301235 | ||
| CHEMBL538793 | 12943 | 0 | None | -19 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 423 | 15 | 0 | 7 | 5.1 | CC(=O)OCCCCCCCCCCCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm0301235 | ||
| 155525065 | 176530 | 0 | None | -3 | 5 | Human | 7.1 | pKi | = | 7.1 | 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 | -3 | 5 | Human | 7.1 | pKi | = | 7.1 | 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 | -3 | 5 | Human | 7.1 | pKi | = | 7.1 | 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 | ||
| 16094791 | 83228 | 0 | None | -1 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 443 | 13 | 0 | 12 | 1.6 | COc1nsnc1OCCOCCOCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm0606995 | ||
| CHEMBL218755 | 83228 | 0 | None | -1 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 443 | 13 | 0 | 12 | 1.6 | COc1nsnc1OCCOCCOCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm0606995 | ||
| 44304818 | 203283 | 0 | None | -30 | 7 | Rat | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 169 | 1 | 1 | 3 | 0.7 | COC(=O)C1CC2CCCC1N2 | 10.1021/jm9705115 | ||
| CHEMBL64788 | 203283 | 0 | None | -30 | 7 | Rat | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 169 | 1 | 1 | 3 | 0.7 | COC(=O)C1CC2CCCC1N2 | 10.1021/jm9705115 | ||
| 44304818 | 203283 | 0 | None | -30 | 7 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 169 | 1 | 1 | 3 | 0.7 | COC(=O)C1CC2CCCC1N2 | 10.1021/jm9705115 | ||
| CHEMBL64788 | 203283 | 0 | None | -30 | 7 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 169 | 1 | 1 | 3 | 0.7 | COC(=O)C1CC2CCCC1N2 | 10.1021/jm9705115 | ||
| 44437270 | 12296 | 0 | None | -19 | 5 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 222 | 2 | 0 | 3 | 0.6 | O=C1CCON1CC#CCN1CCCCC1 | 10.1016/j.bmc.2007.09.003 | ||
| CHEMBL1185211 | 12296 | 0 | None | -19 | 5 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 222 | 2 | 0 | 3 | 0.6 | O=C1CCON1CC#CCN1CCCCC1 | 10.1016/j.bmc.2007.09.003 | ||
| CHEMBL398043 | 12296 | 0 | None | -19 | 5 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 222 | 2 | 0 | 3 | 0.6 | O=C1CCON1CC#CCN1CCCCC1 | 10.1016/j.bmc.2007.09.003 | ||
| 44299564 | 199064 | 0 | None | -1 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 345 | 2 | 0 | 3 | 4.4 | C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@H]3[C@H](/C=C\[C@H]3CCC[C@H](C)N3C)[C@@H]12 | 10.1016/s0960-894x(02)00315-3 | ||
| CHEMBL58824 | 199064 | 0 | None | -1 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 345 | 2 | 0 | 3 | 4.4 | C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@H]3[C@H](/C=C\[C@H]3CCC[C@H](C)N3C)[C@@H]12 | 10.1016/s0960-894x(02)00315-3 | ||
| 10109893 | 82136 | 0 | None | -2 | 5 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 373 | 13 | 1 | 9 | 0.7 | CN1CCC=C(c2nsnc2OCCOCCOCCOCCO)C1 | 10.1021/jm0606995 | ||
| CHEMBL216983 | 82136 | 0 | None | -2 | 5 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 373 | 13 | 1 | 9 | 0.7 | CN1CCC=C(c2nsnc2OCCOCCOCCOCCO)C1 | 10.1021/jm0606995 | ||
| CHEMBL544840 | 82136 | 0 | None | -2 | 5 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 373 | 13 | 1 | 9 | 0.7 | CN1CCC=C(c2nsnc2OCCOCCOCCOCCO)C1 | 10.1021/jm0606995 | ||
| 156012563 | 178224 | 0 | None | -3 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 236 | 3 | 0 | 2 | 1.8 | C[N+](C)(C)C[C@@H]1CO[C@H](c2ccccc2)CO1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4637485 | 178224 | 0 | None | -3 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 236 | 3 | 0 | 2 | 1.8 | C[N+](C)(C)C[C@@H]1CO[C@H](c2ccccc2)CO1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4650635 | 178224 | 0 | None | -3 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 236 | 3 | 0 | 2 | 1.8 | C[N+](C)(C)C[C@@H]1CO[C@H](c2ccccc2)CO1 | 10.1021/acs.jmedchem.9b02100 | ||
| 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 | ||
| 4841 | 67397 | 5 | None | -1 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 368 | 7 | 1 | 3 | 3.5 | CC[N+]1(CCOC(=O)C(O)(c2ccccc2)c2ccccc2)CCCCC1 | nan | ||
| CHEMBL1889399 | 67397 | 5 | None | -1 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 368 | 7 | 1 | 3 | 3.5 | CC[N+]1(CCOC(=O)C(O)(c2ccccc2)c2ccccc2)CCCCC1 | nan | ||
| CHEMBL1909073 | 67397 | 5 | None | -1 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 368 | 7 | 1 | 3 | 3.5 | CC[N+]1(CCOC(=O)C(O)(c2ccccc2)c2ccccc2)CCCCC1 | nan | ||
| 319 | 1312 | 44 | None | -9 | 9 | Human | 8.1 | pKi | = | 8.1 | 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 | -9 | 9 | Human | 8.1 | pKi | = | 8.1 | 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 | -9 | 9 | Human | 8.1 | pKi | = | 8.1 | 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 | -9 | 9 | Human | 8.1 | pKi | = | 8.1 | 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 | -9 | 9 | Human | 8.1 | pKi | = | 8.1 | 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 | -9 | 9 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 10.1021/jm010480k | ||
| 324 | 1912 | 15 | None | -1 | 9 | Human | 8.1 | pKi | = | 8.1 | 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(02)00315-3 | ||
| 6436265 | 1912 | 15 | None | -1 | 9 | Human | 8.1 | pKi | = | 8.1 | 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(02)00315-3 | ||
| CHEMBL277642 | 1912 | 15 | None | -1 | 9 | Human | 8.1 | pKi | = | 8.1 | 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(02)00315-3 | ||
| 10660 | 14384 | 58 | None | -2 | 12 | Human | 7.1 | pKi | = | 7.1 | 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 | -2 | 12 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 469 | 6 | 1 | 7 | 3.0 | CN(C)CCOC(c1ccccc1)c1ccccc1.Cn1c(=O)c2[nH]c(Cl)nc2n(C)c1=O | nan | ||
| 11748799 | 165387 | 0 | None | -5 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 306 | 5 | 0 | 2 | 4.3 | CN(C)CCC1=C(C(C)(C)c2ccccn2)c2ccccc2C1 | 10.1021/jm020895l | ||
| CHEMBL423831 | 165387 | 0 | None | -5 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 306 | 5 | 0 | 2 | 4.3 | CN(C)CCC1=C(C(C)(C)c2ccccn2)c2ccccc2C1 | 10.1021/jm020895l | ||
| 71455896 | 83776 | 0 | None | -3 | 5 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 266 | 2 | 1 | 3 | 1.3 | OC12C3C4CC5C6C4C1C6C(C53)N2Cc1ccccn1 | 10.1016/j.bmcl.2012.08.046 | ||
| CHEMBL2205832 | 83776 | 0 | None | -3 | 5 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 266 | 2 | 1 | 3 | 1.3 | OC12C3C4CC5C6C4C1C6C(C53)N2Cc1ccccn1 | 10.1016/j.bmcl.2012.08.046 | ||
| 10035281 | 100955 | 0 | None | -1 | 8 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 183 | 1 | 0 | 3 | 1.2 | CC(=O)OC1CC2CCCC1N2C | 10.1021/jm9904001 | ||
| CHEMBL294273 | 100955 | 0 | None | -1 | 8 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 183 | 1 | 0 | 3 | 1.2 | CC(=O)OC1CC2CCCC1N2C | 10.1021/jm9904001 | ||
| 10035281 | 100955 | 0 | None | -3 | 8 | Rat | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 183 | 1 | 0 | 3 | 1.2 | CC(=O)OC1CC2CCCC1N2C | 10.1021/jm9705115 | ||
| CHEMBL294273 | 100955 | 0 | None | -3 | 8 | Rat | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 183 | 1 | 0 | 3 | 1.2 | CC(=O)OC1CC2CCCC1N2C | 10.1021/jm9705115 | ||
| 10035281 | 100955 | 0 | None | -1 | 8 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 183 | 1 | 0 | 3 | 1.2 | CC(=O)OC1CC2CCCC1N2C | 10.1021/jm9705115 | ||
| CHEMBL294273 | 100955 | 0 | None | -1 | 8 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 183 | 1 | 0 | 3 | 1.2 | CC(=O)OC1CC2CCCC1N2C | 10.1021/jm9705115 | ||
| 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 | ||
| 11000399 | 59065 | 0 | None | -1 | 5 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 278 | 5 | 0 | 2 | 3.6 | CN(C)CCC1=C(Cc2ccncc2)c2ccccc2C1 | 10.1021/jm020895l | ||
| CHEMBL169680 | 59065 | 0 | None | -1 | 5 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 278 | 5 | 0 | 2 | 3.6 | CN(C)CCC1=C(Cc2ccncc2)c2ccccc2C1 | 10.1021/jm020895l | ||
| 44318766 | 205728 | 0 | None | 3 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 237 | 2 | 1 | 3 | 2.4 | O=C(OC1CC2CCCC1N2)C1CCCCC1 | 10.1021/jm9904001 | ||
| CHEMBL82754 | 205728 | 0 | None | 3 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 237 | 2 | 1 | 3 | 2.4 | O=C(OC1CC2CCCC1N2)C1CCCCC1 | 10.1021/jm9904001 | ||
| 44318851 | 104699 | 0 | None | -1 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 183 | 2 | 1 | 3 | 1.2 | CCC(=O)OC1CC2CCCC1N2 | 10.1021/jm9904001 | ||
| CHEMBL310558 | 104699 | 0 | None | -1 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 183 | 2 | 1 | 3 | 1.2 | CCC(=O)OC1CC2CCCC1N2 | 10.1021/jm9904001 | ||
| 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 | ||
| 187 | 255 | 39 | None | -6 | 9 | Human | 5.1 | pKi | = | 5.1 | 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 | -6 | 9 | Human | 5.1 | pKi | = | 5.1 | 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 | -6 | 9 | Human | 5.1 | pKi | = | 5.1 | 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 | -6 | 9 | Human | 5.1 | pKi | = | 5.1 | 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 | -6 | 9 | Human | 5.1 | pKi | = | 5.1 | 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 | -6 | 9 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1016/j.bmcl.2007.11.073 | ||
| 145961152 | 161567 | 0 | None | -5 | 5 | Human | 5.1 | pKi | = | 5.1 | 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 | -5 | 5 | Human | 5.1 | pKi | = | 5.1 | 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 | ||
| 68764898 | 669 | 2 | None | -2 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 491 | 7 | 1 | 5 | 5.3 | CCC[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)N(C(C)C)C | 10.1021/ml500505q | ||
| 9430 | 669 | 2 | None | -2 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 491 | 7 | 1 | 5 | 5.3 | CCC[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)N(C(C)C)C | 10.1021/ml500505q | ||
| CHEMBL3577945 | 669 | 2 | None | -2 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 491 | 7 | 1 | 5 | 5.3 | CCC[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)N(C(C)C)C | 10.1021/ml500505q | ||
| 162353383 | 182553 | 0 | None | -2 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 284 | 4 | 1 | 4 | 2.2 | Cn1ccc(NC(=O)CCN2CCCc3ccccc32)n1 | 10.1016/j.bmcl.2020.127632 | ||
| CHEMBL4787944 | 182553 | 0 | None | -2 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 284 | 4 | 1 | 4 | 2.2 | Cn1ccc(NC(=O)CCN2CCCc3ccccc32)n1 | 10.1016/j.bmcl.2020.127632 | ||
| 11110049 | 58210 | 0 | None | -2 | 4 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 321 | 6 | 1 | 3 | 2.3 | CN(C)CCNC(=O)C1=C(Cc2ccncc2)c2ccccc2C1 | 10.1021/jm020895l | ||
| CHEMBL168223 | 58210 | 0 | None | -2 | 4 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 321 | 6 | 1 | 3 | 2.3 | CN(C)CCNC(=O)C1=C(Cc2ccncc2)c2ccccc2C1 | 10.1021/jm020895l | ||
| 162353387 | 181207 | 0 | None | -2 | 2 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 274 | 2 | 1 | 3 | 2.2 | O=C(CN1CCCc2ccc(O)cc21)N1CCCCC1 | 10.1016/j.bmcl.2020.127632 | ||
| CHEMBL4761549 | 181207 | 0 | None | -2 | 2 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 274 | 2 | 1 | 3 | 2.2 | O=C(CN1CCCc2ccc(O)cc21)N1CCCCC1 | 10.1016/j.bmcl.2020.127632 | ||
| 44422692 | 11821 | 0 | None | -9 | 5 | Human | 4.1 | pKi | = | 4.1 | 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 | -9 | 5 | Human | 4.1 | pKi | = | 4.1 | 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 | -9 | 5 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 174 | 2 | 0 | 2 | 0.5 | CC1COCC(C[N+](C)(C)C)O1 | 10.1016/j.bmcl.2007.11.073 | ||
| 3675988 | 176811 | 66 | None | -7 | 4 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 137 | 1 | 1 | 2 | 1.7 | c1coc(C2CCCN2)c1 | 10.1021/jm800145d | ||
| CHEMBL461087 | 176811 | 66 | None | -7 | 4 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 137 | 1 | 1 | 2 | 1.7 | c1coc(C2CCCN2)c1 | 10.1021/jm800145d | ||
| 44446841 | 12306 | 0 | None | -5 | 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.bmc.2009.10.027 | ||
| CHEMBL1185281 | 12306 | 0 | None | -5 | 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.bmc.2009.10.027 | ||
| CHEMBL404557 | 12306 | 0 | None | -5 | 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.bmc.2009.10.027 | ||
| 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 | ||
| 155523889 | 176500 | 0 | None | -11 | 5 | Human | 7.1 | pKi | = | 7.1 | 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 | -11 | 5 | Human | 7.1 | pKi | = | 7.1 | 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 | -11 | 5 | Human | 7.1 | pKi | = | 7.1 | 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 | ||
| 73345823 | 89786 | 0 | None | -14 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 305 | 10 | 0 | 3 | 4.1 | CC[C@H](C)C(C(=O)OCCCN(CC)CC)c1ccccc1 | 10.1016/j.bmc.2013.01.072 | ||
| CHEMBL2377392 | 89786 | 0 | None | -14 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 305 | 10 | 0 | 3 | 4.1 | CC[C@H](C)C(C(=O)OCCCN(CC)CC)c1ccccc1 | 10.1016/j.bmc.2013.01.072 | ||
| 4212 | 198656 | 82 | None | -1 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 444 | 12 | 8 | 10 | -0.1 | O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21 | nan | ||
| CHEMBL1417019 | 198656 | 82 | None | -1 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 444 | 12 | 8 | 10 | -0.1 | O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21 | nan | ||
| CHEMBL58 | 198656 | 82 | None | -1 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 444 | 12 | 8 | 10 | -0.1 | O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21 | nan | ||
| 10315426 | 101021 | 0 | None | -2 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 343 | 0 | 0 | 3 | 3.9 | C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](C#C[C@H]3CCC[C@H](C)N3C)[C@@H]12 | 10.1016/s0960-894x(02)00315-3 | ||
| CHEMBL294663 | 101021 | 0 | None | -2 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 343 | 0 | 0 | 3 | 3.9 | C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](C#C[C@H]3CCC[C@H](C)N3C)[C@@H]12 | 10.1016/s0960-894x(02)00315-3 | ||
| 44299616 | 195685 | 0 | None | 1 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 345 | 2 | 0 | 3 | 4.4 | C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](/C=C\[C@H]3CCC[C@H](C)N3C)[C@@H]12 | 10.1016/s0960-894x(02)00315-3 | ||
| CHEMBL55698 | 195685 | 0 | None | 1 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 345 | 2 | 0 | 3 | 4.4 | C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](/C=C\[C@H]3CCC[C@H](C)N3C)[C@@H]12 | 10.1016/s0960-894x(02)00315-3 | ||
| 133640439 | 181349 | 1 | None | -1 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 302 | 4 | 1 | 3 | 1.9 | O=C(O)C1CCCN1C(=O)CCN1CCCc2ccccc21 | 10.1016/j.bmcl.2020.127632 | ||
| CHEMBL4763304 | 181349 | 1 | None | -1 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 302 | 4 | 1 | 3 | 1.9 | O=C(O)C1CCCN1C(=O)CCN1CCCc2ccccc21 | 10.1016/j.bmcl.2020.127632 | ||
| 162353377 | 181141 | 0 | None | -2 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 272 | 2 | 0 | 2 | 2.8 | CC1CCc2ccccc2N1CC(=O)N1CCCCC1 | 10.1016/j.bmcl.2020.127632 | ||
| CHEMBL4760904 | 181141 | 0 | None | -2 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 272 | 2 | 0 | 2 | 2.8 | CC1CCc2ccccc2N1CC(=O)N1CCCCC1 | 10.1016/j.bmcl.2020.127632 | ||
| 657347 | 5044 | 2 | None | -75 | 6 | Human | 5.1 | pKi | = | 5.1 | 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 | -75 | 6 | Human | 5.1 | pKi | = | 5.1 | 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 | -75 | 6 | Human | 5.1 | pKi | = | 5.1 | 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 | ||
| 44274477 | 165544 | 0 | None | -3 | 5 | Human | 4.1 | pKi | = | 4.1 | 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 | -3 | 5 | Human | 4.1 | pKi | = | 4.1 | 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 | ||
| 7047822 | 176812 | 15 | None | -3 | 5 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 137 | 1 | 1 | 2 | 1.7 | c1coc([C@H]2CCCN2)c1 | 10.1021/jm800145d | ||
| CHEMBL461088 | 176812 | 15 | None | -3 | 5 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 137 | 1 | 1 | 2 | 1.7 | c1coc([C@H]2CCCN2)c1 | 10.1021/jm800145d | ||
| 73346334 | 92512 | 0 | None | 1 | 7 | Human | 6.1 | pKi | = | 6.1 | 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 | 1 | 7 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 265 | 4 | 1 | 1 | 3.0 | c1ccc(CCN[C@H]2C3C4CC5C6C4CC3C6C52)cc1 | 10.1016/j.bmc.2013.07.045 | ||
| 10225340 | 204311 | 0 | None | -2 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 441 | 6 | 0 | 5 | 4.8 | COc1ccc(S(=O)(=O)c2ccc(C(=O)C3CCN(C4CCCCC4)CC3)cc2)cc1 | 10.1016/s0960-894x(00)00437-6 | ||
| CHEMBL71531 | 204311 | 0 | None | -2 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 441 | 6 | 0 | 5 | 4.8 | COc1ccc(S(=O)(=O)c2ccc(C(=O)C3CCN(C4CCCCC4)CC3)cc2)cc1 | 10.1016/s0960-894x(00)00437-6 | ||
| 410345 | 89774 | 4 | None | -1 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 333 | 8 | 1 | 4 | 3.4 | CCN(CC)CCOC(=O)C(c1ccccc1)C1(O)CCCCC1 | 10.1016/j.bmc.2013.01.072 | ||
| CHEMBL2377269 | 89774 | 4 | None | -1 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 333 | 8 | 1 | 4 | 3.4 | CCN(CC)CCOC(=O)C(c1ccccc1)C1(O)CCCCC1 | 10.1016/j.bmc.2013.01.072 | ||
| 156014820 | 178281 | 0 | None | -4 | 5 | Human | 8.0 | pKi | = | 8.0 | 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 | -4 | 5 | Human | 8.0 | pKi | = | 8.0 | 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 | -4 | 5 | Human | 8.0 | pKi | = | 8.0 | 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 | -4 | 5 | Human | 8.0 | pKi | = | 8.0 | 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 | -4 | 5 | Human | 8.0 | pKi | = | 8.0 | 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 | -4 | 5 | Human | 8.0 | pKi | = | 8.0 | 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 | ||
| 10035281 | 100955 | 0 | None | -1 | 8 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 183 | 1 | 0 | 3 | 1.2 | CC(=O)OC1CC2CCCC1N2C | 10.1021/jm9904001 | ||
| CHEMBL294273 | 100955 | 0 | None | -1 | 8 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 183 | 1 | 0 | 3 | 1.2 | CC(=O)OC1CC2CCCC1N2C | 10.1021/jm9904001 | ||
| 9937474 | 170446 | 0 | None | -457 | 5 | Human | 7.0 | pKi | = | 7.0 | 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 | -457 | 5 | Human | 7.0 | pKi | = | 7.0 | 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 | ||
| 10421982 | 206018 | 0 | None | -1 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 245 | 2 | 0 | 3 | 2.5 | CN1C2CCCC1C(OC(=O)c1ccccc1)C2 | 10.1021/jm9904001 | ||
| CHEMBL85190 | 206018 | 0 | None | -1 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 245 | 2 | 0 | 3 | 2.5 | CN1C2CCCC1C(OC(=O)c1ccccc1)C2 | 10.1021/jm9904001 | ||
| 3055 | 1421 | 44 | None | -1 | 9 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 309 | 6 | 1 | 2 | 4.2 | OC(c1ccccc1)(c1ccccc1)CCCN1CCCCC1 | 10.1016/j.bmcl.2008.03.061 | ||
| 313 | 1421 | 44 | None | -1 | 9 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 309 | 6 | 1 | 2 | 4.2 | OC(c1ccccc1)(c1ccccc1)CCCN1CCCCC1 | 10.1016/j.bmcl.2008.03.061 | ||
| 7163 | 1421 | 44 | None | -1 | 9 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 309 | 6 | 1 | 2 | 4.2 | OC(c1ccccc1)(c1ccccc1)CCCN1CCCCC1 | 10.1016/j.bmcl.2008.03.061 | ||
| CHEMBL936 | 1421 | 44 | None | -1 | 9 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 309 | 6 | 1 | 2 | 4.2 | OC(c1ccccc1)(c1ccccc1)CCCN1CCCCC1 | 10.1016/j.bmcl.2008.03.061 | ||
| DB01231 | 1421 | 44 | None | -1 | 9 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 309 | 6 | 1 | 2 | 4.2 | OC(c1ccccc1)(c1ccccc1)CCCN1CCCCC1 | 10.1016/j.bmcl.2008.03.061 | ||
| 171578 | 12272 | 5 | None | -4 | 5 | Human | 5.0 | pKi | = | 5.0 | 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 | -4 | 5 | Human | 5.0 | pKi | = | 5.0 | 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 | -4 | 5 | Human | 5.0 | pKi | = | 5.0 | 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 | -4 | 7 | Human | 5.0 | pKi | = | 5.0 | 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 | -4 | 7 | Human | 5.0 | pKi | = | 5.0 | 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 | -4 | 7 | Human | 5.0 | pKi | = | 5.0 | 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 | -4 | 7 | Human | 5.0 | pKi | = | 5.0 | 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 | -4 | 7 | Human | 5.0 | pKi | = | 5.0 | 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 | -4 | 7 | Human | 5.0 | pKi | = | 5.0 | 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 | -4 | 7 | Human | 5.0 | pKi | = | 5.0 | 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 | -4 | 7 | Human | 5.0 | pKi | = | 5.0 | 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 | -4 | 7 | Human | 5.0 | pKi | = | 5.0 | 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 | -4 | 7 | Human | 5.0 | pKi | = | 5.0 | 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 | -4 | 7 | Human | 5.0 | pKi | = | 5.0 | 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 | -4 | 7 | Human | 5.0 | pKi | = | 5.0 | 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 | -4 | 7 | Human | 5.0 | pKi | = | 5.0 | 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 | -4 | 7 | Human | 5.0 | pKi | = | 5.0 | 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 | -4 | 7 | Human | 5.0 | pKi | = | 5.0 | 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 | ||
| 162657652 | 180961 | 0 | None | -2 | 4 | Human | 4.0 | pKi | = | 4.0 | Binding | ChEMBL | 335 | 4 | 1 | 3 | 4.2 | CCn1c2ccccc2c2ccc(NCC(=O)N3CCCCC3)cc21 | 10.1016/j.bmcl.2020.127632 | ||
| CHEMBL4758742 | 180961 | 0 | None | -2 | 4 | Human | 4.0 | pKi | = | 4.0 | Binding | ChEMBL | 335 | 4 | 1 | 3 | 4.2 | CCn1c2ccccc2c2ccc(NCC(=O)N3CCCCC3)cc21 | 10.1016/j.bmcl.2020.127632 | ||
| 16086061 | 80189 | 0 | None | -99 | 5 | Human | 7.0 | pKi | = | 7.0 | 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 | -99 | 5 | Human | 7.0 | pKi | = | 7.0 | 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 | ||
| 155554262 | 176531 | 0 | None | -2 | 5 | Human | 7.0 | pKi | = | 7.0 | 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 | -2 | 5 | Human | 7.0 | pKi | = | 7.0 | 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 | -2 | 5 | Human | 7.0 | pKi | = | 7.0 | 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 | ||
| 44593620 | 187912 | 0 | None | -3 | 5 | Human | 7.0 | pKi | = | 7.0 | 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 | -3 | 5 | Human | 7.0 | pKi | = | 7.0 | 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 | ||
| 164614994 | 188478 | 0 | None | -77 | 5 | Human | 6.0 | pKi | = | 6.0 | 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 | -77 | 5 | Human | 6.0 | pKi | = | 6.0 | 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 | -77 | 5 | Human | 6.0 | pKi | = | 6.0 | 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 | ||
| 164627387 | 188582 | 0 | None | -7 | 3 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 832 | 19 | 12 | 11 | -1.4 | CC(=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@@H](CCCNC(=N)N)NCC(=O)NC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4874785 | 188582 | 0 | None | -7 | 3 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 832 | 19 | 12 | 11 | -1.4 | CC(=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@@H](CCCNC(=N)N)NCC(=O)NC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028995 | 188582 | 0 | None | -7 | 3 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 832 | 19 | 12 | 11 | -1.4 | CC(=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@@H](CCCNC(=N)N)NCC(=O)NC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 137640511 | 157042 | 0 | None | -36 | 8 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 286 | 4 | 0 | 2 | 3.1 | CC1CCN(CCCN2C(=O)CCc3ccccc32)CC1 | 10.1021/acs.jmedchem.8b00265 | ||
| CHEMBL4074104 | 157042 | 0 | None | -36 | 8 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 286 | 4 | 0 | 2 | 3.1 | CC1CCN(CCCN2C(=O)CCc3ccccc32)CC1 | 10.1021/acs.jmedchem.8b00265 | ||
| 14925759 | 158014 | 6 | None | -3235 | 13 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 349 | 5 | 0 | 3 | 3.2 | O=C1CCc2ccccc2N1CCCN1CCN(c2ccccc2)CC1 | 10.1021/acs.jmedchem.8b00265 | ||
| CHEMBL4085780 | 158014 | 6 | None | -3235 | 13 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 349 | 5 | 0 | 3 | 3.2 | O=C1CCc2ccccc2N1CCCN1CCN(c2ccccc2)CC1 | 10.1021/acs.jmedchem.8b00265 | ||
| 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 | ||
| 44439392 | 91753 | 0 | None | -4677 | 2 | Human | 4.0 | pKi | = | 4.0 | Binding | ChEMBL | 336 | 5 | 2 | 2 | 5.1 | CCCSc1ccccc1CC1NCCc2c1[nH]c1ccccc21 | 10.1016/j.bmcl.2007.01.093 | ||
| CHEMBL241100 | 91753 | 0 | None | -4677 | 2 | Human | 4.0 | pKi | = | 4.0 | Binding | ChEMBL | 336 | 5 | 2 | 2 | 5.1 | CCCSc1ccccc1CC1NCCc2c1[nH]c1ccccc21 | 10.1016/j.bmcl.2007.01.093 | ||
| 118719930 | 115758 | 0 | None | 1 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 470 | 17 | 1 | 3 | 6.7 | O=C1CCc2ccccc2N1CCCN1CCC(CCCCCCCCCCCCCO)CC1 | 10.1021/jm501173q | ||
| CHEMBL3354077 | 115758 | 0 | None | 1 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 470 | 17 | 1 | 3 | 6.7 | O=C1CCc2ccccc2N1CCCN1CCC(CCCCCCCCCCCCCO)CC1 | 10.1021/jm501173q | ||
| 44576913 | 193290 | 0 | None | -4 | 5 | Human | 7.0 | pKi | = | 7.0 | 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 | -4 | 5 | Human | 7.0 | pKi | = | 7.0 | 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 | -4 | 5 | Human | 7.0 | pKi | = | 7.0 | 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 | ||
| 44439393 | 91780 | 0 | None | -2754 | 2 | Human | 4.0 | pKi | = | 4.0 | Binding | ChEMBL | 308 | 3 | 2 | 2 | 4.3 | CSc1ccccc1CC1NCCc2c1[nH]c1ccccc21 | 10.1016/j.bmcl.2007.01.093 | ||
| CHEMBL241279 | 91780 | 0 | None | -2754 | 2 | Human | 4.0 | pKi | = | 4.0 | Binding | ChEMBL | 308 | 3 | 2 | 2 | 4.3 | CSc1ccccc1CC1NCCc2c1[nH]c1ccccc21 | 10.1016/j.bmcl.2007.01.093 | ||
| 164624458 | 188559 | 0 | None | -29 | 3 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 873 | 19 | 9 | 12 | -0.6 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCNC(=N)N)NCCN1CCN(C(=O)CC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4863121 | 188559 | 0 | None | -29 | 3 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 873 | 19 | 9 | 12 | -0.6 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCNC(=N)N)NCCN1CCN(C(=O)CC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028823 | 188559 | 0 | None | -29 | 3 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 873 | 19 | 9 | 12 | -0.6 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCNC(=N)N)NCCN1CCN(C(=O)CC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 44318817 | 169090 | 0 | None | -5 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 197 | 2 | 0 | 3 | 1.6 | CCC(=O)OC1CC2CCCC1N2C | 10.1021/jm9904001 | ||
| CHEMBL440138 | 169090 | 0 | None | -5 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 197 | 2 | 0 | 3 | 1.6 | CCC(=O)OC1CC2CCCC1N2C | 10.1021/jm9904001 | ||
| 11808040 | 168371 | 0 | None | -7 | 6 | Human | 7.0 | pKi | = | 7.0 | 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 | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 278 | 4 | 0 | 2 | 3.8 | CC(C1=C(CN(C)C)Cc2ccccc21)c1ccccn1 | 10.1021/jm020895l | ||
| 156017826 | 177834 | 0 | None | -4 | 5 | Human | 7.0 | pKi | = | 7.0 | 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 | -4 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 303 | 4 | 0 | 3 | 3.4 | CN(C)C[C@@H]1COC[C@](c2ccccc2)(C2CCCCC2)O1 | 10.1021/acs.jmedchem.9b02100 | ||
| 10951142 | 5190 | 0 | None | -1 | 5 | Human | 7.0 | pKi | = | 7.0 | 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 | -1 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 496 | 6 | 0 | 6 | 5.9 | CCOC(=O)c1c(CC)n(Cc2ccccc2)c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3 | 10.1021/jm011116o | ||
| 71459604 | 83764 | 0 | None | -1 | 14 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 309 | 4 | 1 | 3 | 2.0 | COc1cccc(CCN2C3C4C5CC6C7C5C3C7C2(O)C64)c1 | 10.1016/j.bmcl.2012.08.046 | ||
| CHEMBL2205811 | 83764 | 0 | None | -1 | 14 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 309 | 4 | 1 | 3 | 2.0 | COc1cccc(CCN2C3C4C5CC6C7C5C3C7C2(O)C64)c1 | 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 | ||
| 44448575 | 11885 | 0 | None | -1 | 5 | Human | 5.0 | pKi | = | 5.0 | 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 | 5.0 | pKi | = | 5.0 | 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 | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 324 | 6 | 1 | 3 | 3.0 | CN1CCN(CCCC(O)(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2008.03.061 | ||
| 24865895 | 95976 | 0 | None | -3 | 5 | Human | 5.0 | pKi | = | 5.0 | 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 | -3 | 5 | Human | 5.0 | pKi | = | 5.0 | 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 | -3 | 5 | Human | 5.0 | pKi | = | 5.0 | 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 | ||
| 11729182 | 5199 | 0 | None | -2 | 5 | Human | 5.0 | pKi | = | 5.0 | 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 | -2 | 5 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 405 | 3 | 1 | 4 | 4.0 | CCN(C)C(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3 | 10.1021/jm011116o | ||
| 2745 | 3832 | 42 | None | -5 | 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 | -5 | 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 | -5 | 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 | -5 | 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 | -5 | 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 | -5 | 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 | ||
| 15376 | 3963 | 0 | None | -4 | 4 | Human | 8.4 | pKd | = | 8.4 | Binding | Drug Central | 354 | 2 | 1 | 5 | 3.0 | COC(=O)[C@@]1(O)C[C@]2(CC)CCCN3[C@@H]2c2n1c1ccccc1c2CC3 | None | ||
| 349 | 3963 | 0 | None | -4 | 4 | Human | 8.4 | pKd | = | 8.4 | Binding | Drug Central | 354 | 2 | 1 | 5 | 3.0 | COC(=O)[C@@]1(O)C[C@]2(CC)CCCN3[C@@H]2c2n1c1ccccc1c2CC3 | None | ||
| 3643 | 3963 | 0 | None | -4 | 4 | Human | 8.4 | pKd | = | 8.4 | Binding | Drug Central | 354 | 2 | 1 | 5 | 3.0 | COC(=O)[C@@]1(O)C[C@]2(CC)CCCN3[C@@H]2c2n1c1ccccc1c2CC3 | None | ||
| CHEMBL1165342 | 3963 | 0 | None | -4 | 4 | Human | 8.4 | pKd | = | 8.4 | Binding | Drug Central | 354 | 2 | 1 | 5 | 3.0 | COC(=O)[C@@]1(O)C[C@]2(CC)CCCN3[C@@H]2c2n1c1ccccc1c2CC3 | None | ||
| DB13374 | 3963 | 0 | None | -4 | 4 | Human | 8.4 | pKd | = | 8.4 | Binding | Drug Central | 354 | 2 | 1 | 5 | 3.0 | COC(=O)[C@@]1(O)C[C@]2(CC)CCCN3[C@@H]2c2n1c1ccccc1c2CC3 | None | ||
| 2824 | 3962 | 0 | None | -1 | 4 | Human | 8.3 | pKd | = | 8.3 | Binding | Drug Central | 294 | 1 | 0 | 3 | 3.8 | CC[C@]12CCCN3[C@@H]2c2n(C(=O)C1)c1c(c2CC3)cccc1 | None | ||
| 345 | 3962 | 0 | None | -1 | 4 | Human | 8.3 | pKd | = | 8.3 | Binding | Drug Central | 294 | 1 | 0 | 3 | 3.8 | CC[C@]12CCCN3[C@@H]2c2n(C(=O)C1)c1c(c2CC3)cccc1 | None | ||
| 71203 | 3962 | 0 | None | -1 | 4 | Human | 8.3 | pKd | = | 8.3 | Binding | Drug Central | 294 | 1 | 0 | 3 | 3.8 | CC[C@]12CCCN3[C@@H]2c2n(C(=O)C1)c1c(c2CC3)cccc1 | None | ||
| CHEMBL1892145 | 3962 | 0 | None | -1 | 4 | Human | 8.3 | pKd | = | 8.3 | Binding | Drug Central | 294 | 1 | 0 | 3 | 3.8 | CC[C@]12CCCN3[C@@H]2c2n(C(=O)C1)c1c(c2CC3)cccc1 | None | ||
| DB13793 | 3962 | 0 | None | -1 | 4 | Human | 8.3 | pKd | = | 8.3 | Binding | Drug Central | 294 | 1 | 0 | 3 | 3.8 | CC[C@]12CCCN3[C@@H]2c2n(C(=O)C1)c1c(c2CC3)cccc1 | None | ||
| 92112 | 21673 | 18 | None | -1 | 4 | Human | 8.3 | pKd | = | 8.3 | Binding | Drug Central | 294 | 1 | 0 | 3 | 3.8 | CC[C@@]12CCCN3CCc4c(n(c5ccccc45)C(=O)C1)[C@H]32 | None | ||
| CHEMBL1318553 | 21673 | 18 | None | -1 | 4 | Human | 8.3 | pKd | = | 8.3 | Binding | Drug Central | 294 | 1 | 0 | 3 | 3.8 | CC[C@@]12CCCN3CCc4c(n(c5ccccc45)C(=O)C1)[C@H]32 | None | ||
| 2360 | 3667 | 43 | None | -1 | 5 | Human | 8.3 | pKd | = | 8.3 | Binding | Drug Central | 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 | None | ||
| 2484 | 3667 | 43 | None | -1 | 5 | Human | 8.3 | pKd | = | 8.3 | Binding | Drug Central | 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 | None | ||
| 347 | 3667 | 43 | None | -1 | 5 | Human | 8.3 | pKd | = | 8.3 | Binding | Drug Central | 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 | None | ||
| 441071 | 3667 | 43 | None | -1 | 5 | Human | 8.3 | pKd | = | 8.3 | Binding | Drug Central | 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 | None | ||
| CHEMBL227934 | 3667 | 43 | None | -1 | 5 | Human | 8.3 | pKd | = | 8.3 | Binding | Drug Central | 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 | None | ||
| DB15954 | 3667 | 43 | None | -1 | 5 | Human | 8.3 | pKd | = | 8.3 | Binding | Drug Central | 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 | None | ||
| 2381 | 660 | 48 | None | -9 | 9 | Human | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 311 | 5 | 1 | 2 | 4.0 | OC(C1CC2CC1C=C2)(c1ccccc1)CCN1CCCCC1 | None | ||
| 374 | 660 | 48 | None | -9 | 9 | Human | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 311 | 5 | 1 | 2 | 4.0 | OC(C1CC2CC1C=C2)(c1ccccc1)CCN1CCCCC1 | None | ||
| 7128 | 660 | 48 | None | -9 | 9 | Human | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 311 | 5 | 1 | 2 | 4.0 | OC(C1CC2CC1C=C2)(c1ccccc1)CCN1CCCCC1 | None | ||
| CHEMBL1101 | 660 | 48 | None | -9 | 9 | Human | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 311 | 5 | 1 | 2 | 4.0 | OC(C1CC2CC1C=C2)(c1ccccc1)CCN1CCCCC1 | None | ||
| DB00810 | 660 | 48 | None | -9 | 9 | Human | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 311 | 5 | 1 | 2 | 4.0 | OC(C1CC2CC1C=C2)(c1ccccc1)CCN1CCCCC1 | None | ||
| 316 | 2816 | 19 | None | -9 | 9 | Human | 10.0 | pKd | = | 10.0 | 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 | 10.0 | pKd | = | 10.0 | 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 | 10.0 | pKd | = | 10.0 | 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 | 7651370 | ||
| 316 | 2816 | 19 | None | -9 | 9 | Human | 10.0 | pKd | = | 10.0 | 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 | 10.0 | pKd | = | 10.0 | 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 | 9224827 | ||
| 316 | 2816 | 19 | None | -9 | 9 | Human | 10.0 | pKd | = | 10.0 | 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 | 10.0 | pKd | = | 10.0 | 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 | 10.0 | pKd | = | 10.0 | 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 | 10.0 | pKd | = | 10.0 | 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 | 7651370 | ||
| 317 | 2816 | 19 | None | -9 | 9 | Human | 10.0 | pKd | = | 10.0 | 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 | 10.0 | pKd | = | 10.0 | 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 | 9224827 | ||
| 317 | 2816 | 19 | None | -9 | 9 | Human | 10.0 | pKd | = | 10.0 | 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 | 10.0 | pKd | = | 10.0 | 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 | 10.0 | pKd | = | 10.0 | 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 | 10.0 | pKd | = | 10.0 | 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 | 7651370 | ||
| 71183 | 2816 | 19 | None | -9 | 9 | Human | 10.0 | pKd | = | 10.0 | 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 | 10.0 | pKd | = | 10.0 | 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 | 9224827 | ||
| 71183 | 2816 | 19 | None | -9 | 9 | Human | 10.0 | pKd | = | 10.0 | 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 | 10.0 | pKd | = | 10.0 | 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 | 10.0 | pKd | = | 10.0 | 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 | 10.0 | pKd | = | 10.0 | 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 | 7651370 | ||
| CHEMBL3140030 | 2816 | 19 | None | -9 | 9 | Human | 10.0 | pKd | = | 10.0 | 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 | 10.0 | pKd | = | 10.0 | 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 | 9224827 | ||
| CHEMBL3140030 | 2816 | 19 | None | -9 | 9 | Human | 10.0 | pKd | = | 10.0 | 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 | 10.0 | pKd | = | 10.0 | 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 | 10.0 | pKd | = | 10.0 | 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 | 10.0 | pKd | = | 10.0 | 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 | 7651370 | ||
| CHEMBL376897 | 2816 | 19 | None | -9 | 9 | Human | 10.0 | pKd | = | 10.0 | 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 | 10.0 | pKd | = | 10.0 | 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 | 9224827 | ||
| CHEMBL376897 | 2816 | 19 | None | -9 | 9 | Human | 10.0 | pKd | = | 10.0 | 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 | 10.0 | pKd | = | 10.0 | 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 | 10.0 | pKd | = | 10.0 | 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 | 10.0 | pKd | = | 10.0 | 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 | 7651370 | ||
| DB00462 | 2816 | 19 | None | -9 | 9 | Human | 10.0 | pKd | = | 10.0 | 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 | 10.0 | pKd | = | 10.0 | 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 | 9224827 | ||
| DB00462 | 2816 | 19 | None | -9 | 9 | Human | 10.0 | pKd | = | 10.0 | 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 | ||
| 23056 | 112 | 29 | None | -1 | 8 | Human | 10.1 | pKd | = | 10.1 | Binding | Guide to Pharmacology | 337 | 4 | 1 | 4 | 2.6 | O=C(C(c1ccccc1)(c1ccccc1)O)OC1CN2CCC1CC2 | 2841607 | ||
| 23056 | 112 | 29 | None | -1 | 8 | Human | 10.1 | pKd | = | 10.1 | 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 | 10.1 | pKd | = | 10.1 | Binding | Guide to Pharmacology | 337 | 4 | 1 | 4 | 2.6 | O=C(C(c1ccccc1)(c1ccccc1)O)OC1CN2CCC1CC2 | 2841607 | ||
| 318 | 112 | 29 | None | -1 | 8 | Human | 10.1 | pKd | = | 10.1 | 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 | 10.1 | pKd | = | 10.1 | Binding | Guide to Pharmacology | 337 | 4 | 1 | 4 | 2.6 | O=C(C(c1ccccc1)(c1ccccc1)O)OC1CN2CCC1CC2 | 2841607 | ||
| 3260 | 112 | 29 | None | -1 | 8 | Human | 10.1 | pKd | = | 10.1 | 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 | 10.1 | pKd | = | 10.1 | Binding | Guide to Pharmacology | 337 | 4 | 1 | 4 | 2.6 | O=C(C(c1ccccc1)(c1ccccc1)O)OC1CN2CCC1CC2 | 2841607 | ||
| CHEMBL12980 | 112 | 29 | None | -1 | 8 | Human | 10.1 | pKd | = | 10.1 | Binding | Guide to Pharmacology | 337 | 4 | 1 | 4 | 2.6 | O=C(C(c1ccccc1)(c1ccccc1)O)OC1CN2CCC1CC2 | 7562472 | ||
| 348 | 3774 | 0 | None | -2 | 4 | Human | 4.0 | pKd | = | 4 | Binding | Guide to Pharmacology | 262 | 2 | 1 | 6 | 1.9 | OCCc1sc2=Nc3c(Cn2c1C)cnc(n3)C | 14722259 | ||
| 66706 | 3774 | 0 | None | -2 | 4 | Human | 4.0 | pKd | = | 4 | Binding | Guide to Pharmacology | 262 | 2 | 1 | 6 | 1.9 | OCCc1sc2=Nc3c(Cn2c1C)cnc(n3)C | 14722259 | ||
| 57664406 | 2383 | 50 | None | 1 | 2 | Human | 5.5 | pKd | = | 5.5 | Binding | Guide to Pharmacology | 437 | 5 | 2 | 7 | 1.9 | CN1CCN(CC1)C(=O)COc1nc2sc(c(c2c(c1Cl)C)N)C(=O)NC1CC1 | 24807965 | ||
| 6938 | 2383 | 50 | None | 1 | 2 | Human | 5.5 | pKd | = | 5.5 | Binding | Guide to Pharmacology | 437 | 5 | 2 | 7 | 1.9 | CN1CCN(CC1)C(=O)COc1nc2sc(c(c2c(c1Cl)C)N)C(=O)NC1CC1 | 24807965 | ||
| CHEMBL4089376 | 2383 | 50 | None | 1 | 2 | Human | 5.5 | pKd | = | 5.5 | Binding | Guide to Pharmacology | 437 | 5 | 2 | 7 | 1.9 | CN1CCN(CC1)C(=O)COc1nc2sc(c(c2c(c1Cl)C)N)C(=O)NC1CC1 | 24807965 | ||
| 107867 | 2953 | 55 | None | -2 | 11 | Human | 7.0 | pKd | = | 7 | Binding | Guide to Pharmacology | 421 | 6 | 1 | 5 | 3.5 | CCN(CC1CCCCN1CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | 8759038 | ||
| 309 | 2953 | 55 | None | -2 | 11 | Human | 7.0 | pKd | = | 7 | Binding | Guide to Pharmacology | 421 | 6 | 1 | 5 | 3.5 | CCN(CC1CCCCN1CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | 8759038 | ||
| CHEMBL17045 | 2953 | 55 | None | -2 | 11 | Human | 7.0 | pKd | = | 7 | Binding | Guide to Pharmacology | 421 | 6 | 1 | 5 | 3.5 | CCN(CC1CCCCN1CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | 8759038 | ||
| 187 | 255 | 39 | None | -6 | 9 | Human | 8.2 | pKd | = | 8.2 | Binding | Guide to Pharmacology | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 14722259 | ||
| 294 | 255 | 39 | None | -6 | 9 | Human | 8.2 | pKd | = | 8.2 | Binding | Guide to Pharmacology | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 14722259 | ||
| 65 | 255 | 39 | None | -6 | 9 | Human | 8.2 | pKd | = | 8.2 | Binding | Guide to Pharmacology | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 14722259 | ||
| 8593 | 255 | 39 | None | -6 | 9 | Human | 8.2 | pKd | = | 8.2 | Binding | Guide to Pharmacology | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 14722259 | ||
| CHEMBL667 | 255 | 39 | None | -6 | 9 | Human | 8.2 | pKd | = | 8.2 | Binding | Guide to Pharmacology | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 14722259 | ||
| DB03128 | 255 | 39 | None | -6 | 9 | Human | 8.2 | pKd | = | 8.2 | Binding | Guide to Pharmacology | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 14722259 | ||
| 2381 | 660 | 48 | None | -9 | 9 | Human | 8.6 | pKd | = | 8.6 | Binding | Guide to Pharmacology | 311 | 5 | 1 | 2 | 4.0 | OC(C1CC2CC1C=C2)(c1ccccc1)CCN1CCCCC1 | 1346637 | ||
| 374 | 660 | 48 | None | -9 | 9 | Human | 8.6 | pKd | = | 8.6 | Binding | Guide to Pharmacology | 311 | 5 | 1 | 2 | 4.0 | OC(C1CC2CC1C=C2)(c1ccccc1)CCN1CCCCC1 | 1346637 | ||
| 7128 | 660 | 48 | None | -9 | 9 | Human | 8.6 | pKd | = | 8.6 | Binding | Guide to Pharmacology | 311 | 5 | 1 | 2 | 4.0 | OC(C1CC2CC1C=C2)(c1ccccc1)CCN1CCCCC1 | 1346637 | ||
| CHEMBL1101 | 660 | 48 | None | -9 | 9 | Human | 8.6 | pKd | = | 8.6 | Binding | Guide to Pharmacology | 311 | 5 | 1 | 2 | 4.0 | OC(C1CC2CC1C=C2)(c1ccccc1)CCN1CCCCC1 | 1346637 | ||
| DB00810 | 660 | 48 | None | -9 | 9 | Human | 8.6 | pKd | = | 8.6 | Binding | Guide to Pharmacology | 311 | 5 | 1 | 2 | 4.0 | OC(C1CC2CC1C=C2)(c1ccccc1)CCN1CCCCC1 | 1346637 | ||
| 119357 | 303 | 49 | None | -1 | 6 | Human | 8.7 | pKd | = | 8.7 | Binding | Guide to Pharmacology | 478 | 9 | 2 | 5 | 4.5 | CCCN(CC1CCCCN1CCNC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CCC | 1941609 | ||
| 119357 | 303 | 49 | None | -1 | 6 | Human | 8.7 | pKd | = | 8.7 | Binding | Guide to Pharmacology | 478 | 9 | 2 | 5 | 4.5 | CCCN(CC1CCCCN1CCNC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CCC | 29515448 | ||
| 119357 | 303 | 49 | None | -1 | 6 | Human | 8.7 | pKd | = | 8.7 | Binding | Guide to Pharmacology | 478 | 9 | 2 | 5 | 4.5 | CCCN(CC1CCCCN1CCNC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CCC | 32079174 | ||
| 3264 | 303 | 49 | None | -1 | 6 | Human | 8.7 | pKd | = | 8.7 | Binding | Guide to Pharmacology | 478 | 9 | 2 | 5 | 4.5 | CCCN(CC1CCCCN1CCNC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CCC | 1941609 | ||
| 3264 | 303 | 49 | None | -1 | 6 | Human | 8.7 | pKd | = | 8.7 | Binding | Guide to Pharmacology | 478 | 9 | 2 | 5 | 4.5 | CCCN(CC1CCCCN1CCNC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CCC | 29515448 | ||
| 3264 | 303 | 49 | None | -1 | 6 | Human | 8.7 | pKd | = | 8.7 | Binding | Guide to Pharmacology | 478 | 9 | 2 | 5 | 4.5 | CCCN(CC1CCCCN1CCNC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CCC | 32079174 | ||
| 368 | 303 | 49 | None | -1 | 6 | Human | 8.7 | pKd | = | 8.7 | Binding | Guide to Pharmacology | 478 | 9 | 2 | 5 | 4.5 | CCCN(CC1CCCCN1CCNC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CCC | 1941609 | ||
| 368 | 303 | 49 | None | -1 | 6 | Human | 8.7 | pKd | = | 8.7 | Binding | Guide to Pharmacology | 478 | 9 | 2 | 5 | 4.5 | CCCN(CC1CCCCN1CCNC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CCC | 29515448 | ||
| 368 | 303 | 49 | None | -1 | 6 | Human | 8.7 | pKd | = | 8.7 | Binding | Guide to Pharmacology | 478 | 9 | 2 | 5 | 4.5 | CCCN(CC1CCCCN1CCNC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CCC | 32079174 | ||
| CHEMBL279453 | 303 | 49 | None | -1 | 6 | Human | 8.7 | pKd | = | 8.7 | Binding | Guide to Pharmacology | 478 | 9 | 2 | 5 | 4.5 | CCCN(CC1CCCCN1CCNC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CCC | 1941609 | ||
| CHEMBL279453 | 303 | 49 | None | -1 | 6 | Human | 8.7 | pKd | = | 8.7 | Binding | Guide to Pharmacology | 478 | 9 | 2 | 5 | 4.5 | CCCN(CC1CCCCN1CCNC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CCC | 29515448 | ||
| CHEMBL279453 | 303 | 49 | None | -1 | 6 | Human | 8.7 | pKd | = | 8.7 | Binding | Guide to Pharmacology | 478 | 9 | 2 | 5 | 4.5 | CCCN(CC1CCCCN1CCNC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CCC | 32079174 | ||
| 21123938 | 730 | 0 | None | 1 | 5 | Human | 3.6 | pKd | None | 3.6 | 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 | 1 | 5 | Human | 3.6 | pKd | None | 3.6 | 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 | ||
| 15376 | 3963 | 0 | None | -4 | 4 | Human | 4.2 | pKd | None | 4.2 | Binding | Guide to Pharmacology | 354 | 2 | 1 | 5 | 3.0 | COC(=O)[C@@]1(O)C[C@]2(CC)CCCN3[C@@H]2c2n1c1ccccc1c2CC3 | 9224827 | ||
| 349 | 3963 | 0 | None | -4 | 4 | Human | 4.2 | pKd | None | 4.2 | Binding | Guide to Pharmacology | 354 | 2 | 1 | 5 | 3.0 | COC(=O)[C@@]1(O)C[C@]2(CC)CCCN3[C@@H]2c2n1c1ccccc1c2CC3 | 9224827 | ||
| 3643 | 3963 | 0 | None | -4 | 4 | Human | 4.2 | pKd | None | 4.2 | Binding | Guide to Pharmacology | 354 | 2 | 1 | 5 | 3.0 | COC(=O)[C@@]1(O)C[C@]2(CC)CCCN3[C@@H]2c2n1c1ccccc1c2CC3 | 9224827 | ||
| CHEMBL1165342 | 3963 | 0 | None | -4 | 4 | Human | 4.2 | pKd | None | 4.2 | Binding | Guide to Pharmacology | 354 | 2 | 1 | 5 | 3.0 | COC(=O)[C@@]1(O)C[C@]2(CC)CCCN3[C@@H]2c2n1c1ccccc1c2CC3 | 9224827 | ||
| DB13374 | 3963 | 0 | None | -4 | 4 | Human | 4.2 | pKd | None | 4.2 | Binding | Guide to Pharmacology | 354 | 2 | 1 | 5 | 3.0 | COC(=O)[C@@]1(O)C[C@]2(CC)CCCN3[C@@H]2c2n1c1ccccc1c2CC3 | 9224827 | ||
| 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 | ||
| 332 | 2021 | 0 | None | -1 | 5 | Human | 4.5 | pKd | None | 4.5 | 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 | -1 | 5 | Human | 4.5 | pKd | None | 4.5 | 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 | -1 | 5 | Human | 4.5 | pKd | None | 4.5 | 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 | ||
| 2824 | 3962 | 0 | None | -1 | 4 | Human | 4.6 | pKd | None | 4.6 | Binding | Guide to Pharmacology | 294 | 1 | 0 | 3 | 3.8 | CC[C@]12CCCN3[C@@H]2c2n(C(=O)C1)c1c(c2CC3)cccc1 | 9224827 | ||
| 345 | 3962 | 0 | None | -1 | 4 | Human | 4.6 | pKd | None | 4.6 | Binding | Guide to Pharmacology | 294 | 1 | 0 | 3 | 3.8 | CC[C@]12CCCN3[C@@H]2c2n(C(=O)C1)c1c(c2CC3)cccc1 | 9224827 | ||
| 71203 | 3962 | 0 | None | -1 | 4 | Human | 4.6 | pKd | None | 4.6 | Binding | Guide to Pharmacology | 294 | 1 | 0 | 3 | 3.8 | CC[C@]12CCCN3[C@@H]2c2n(C(=O)C1)c1c(c2CC3)cccc1 | 9224827 | ||
| CHEMBL1892145 | 3962 | 0 | None | -1 | 4 | Human | 4.6 | pKd | None | 4.6 | Binding | Guide to Pharmacology | 294 | 1 | 0 | 3 | 3.8 | CC[C@]12CCCN3[C@@H]2c2n(C(=O)C1)c1c(c2CC3)cccc1 | 9224827 | ||
| DB13793 | 3962 | 0 | None | -1 | 4 | Human | 4.6 | pKd | None | 4.6 | Binding | Guide to Pharmacology | 294 | 1 | 0 | 3 | 3.8 | CC[C@]12CCCN3[C@@H]2c2n(C(=O)C1)c1c(c2CC3)cccc1 | 9224827 | ||
| 2360 | 3667 | 43 | None | -1 | 5 | Human | 4.9 | pKd | None | 4.9 | 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 | ||
| 2360 | 3667 | 43 | None | -1 | 5 | Human | 4.9 | pKd | None | 4.9 | 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 | 9224827 | ||
| 2484 | 3667 | 43 | None | -1 | 5 | Human | 4.9 | pKd | None | 4.9 | 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 | -1 | 5 | Human | 4.9 | pKd | None | 4.9 | 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 | 9224827 | ||
| 347 | 3667 | 43 | None | -1 | 5 | Human | 4.9 | pKd | None | 4.9 | 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 | -1 | 5 | Human | 4.9 | pKd | None | 4.9 | 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 | 9224827 | ||
| 441071 | 3667 | 43 | None | -1 | 5 | Human | 4.9 | pKd | None | 4.9 | 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 | -1 | 5 | Human | 4.9 | pKd | None | 4.9 | 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 | 9224827 | ||
| CHEMBL227934 | 3667 | 43 | None | -1 | 5 | Human | 4.9 | pKd | None | 4.9 | 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 | -1 | 5 | Human | 4.9 | pKd | None | 4.9 | 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 | 9224827 | ||
| DB15954 | 3667 | 43 | None | -1 | 5 | Human | 4.9 | pKd | None | 4.9 | 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 | -1 | 5 | Human | 4.9 | pKd | None | 4.9 | 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 | 9224827 | ||
| 346 | 3663 | 0 | None | -3 | 3 | Human | 5.3 | pKd | None | 5.3 | Binding | Guide to Pharmacology | 466 | 2 | 2 | 6 | 4.4 | CN[C@@H]1C[C@H]2O[C@]([C@@H]1OC)(C)n1c3ccccc3c3c1c1n2c2ccccc2c1c1c3CNC1=O | 10860942 | ||
| 44259 | 3663 | 0 | None | -3 | 3 | Human | 5.3 | pKd | None | 5.3 | Binding | Guide to Pharmacology | 466 | 2 | 2 | 6 | 4.4 | CN[C@@H]1C[C@H]2O[C@]([C@@H]1OC)(C)n1c3ccccc3c3c1c1n2c2ccccc2c1c1c3CNC1=O | 10860942 | ||
| CHEMBL388978 | 3663 | 0 | None | -3 | 3 | Human | 5.3 | pKd | None | 5.3 | Binding | Guide to Pharmacology | 466 | 2 | 2 | 6 | 4.4 | CN[C@@H]1C[C@H]2O[C@]([C@@H]1OC)(C)n1c3ccccc3c3c1c1n2c2ccccc2c1c1c3CNC1=O | 10860942 | ||
| DB02010 | 3663 | 0 | None | -3 | 3 | Human | 5.3 | pKd | None | 5.3 | Binding | Guide to Pharmacology | 466 | 2 | 2 | 6 | 4.4 | CN[C@@H]1C[C@H]2O[C@]([C@@H]1OC)(C)n1c3ccccc3c3c1c1n2c2ccccc2c1c1c3CNC1=O | 10860942 | ||
| 342 | 729 | 55 | None | 4 | 5 | Human | 5.4 | pKd | None | 5.4 | 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 | 9224827 | ||
| 342 | 729 | 55 | None | 4 | 5 | Human | 5.4 | pKd | None | 5.4 | 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 | 4 | 5 | Human | 5.4 | pKd | None | 5.4 | 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 | 9224827 | ||
| 442021 | 729 | 55 | None | 4 | 5 | Human | 5.4 | pKd | None | 5.4 | 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 | 4 | 5 | Human | 5.4 | pKd | None | 5.4 | 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 | 9224827 | ||
| CHEMBL501756 | 729 | 55 | None | 4 | 5 | Human | 5.4 | pKd | None | 5.4 | 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 | ||
| 341 | 339 | 0 | None | -7 | 4 | Human | 5.6 | pKd | None | 5.6 | Binding | Guide to Pharmacology | 666 | 6 | 2 | 4 | 5.5 | C=CC[N+]12CC[C@@]34[C@@H]2C[C@@H](C(=CCO)C1)C1=CN2c5ccccc5[C@]56[C@@H]2C(=CN([C@H]31)c1c4cccc1)[C@H]1C[C@@H]6[N+](CC1=CCO)(CC5)CC=C | 9224827 | ||
| 5311001 | 339 | 0 | None | -7 | 4 | Human | 5.6 | pKd | None | 5.6 | Binding | Guide to Pharmacology | 666 | 6 | 2 | 4 | 5.5 | C=CC[N+]12CC[C@@]34[C@@H]2C[C@@H](C(=CCO)C1)C1=CN2c5ccccc5[C@]56[C@@H]2C(=CN([C@H]31)c1c4cccc1)[C@H]1C[C@@H]6[N+](CC1=CCO)(CC5)CC=C | 9224827 | ||
| 335 | 1823 | 0 | None | -1 | 4 | Human | 5.7 | pKd | None | 5.7 | Binding | Guide to Pharmacology | 470 | 5 | 2 | 7 | 3.3 | COc1ccc2c(c1)c1c3c(=O)[nH]c(=O)c3c3c(c1n2CC(CN(C)C)O)n(C)c1c3cccc1 | 10860942 | ||
| 3500 | 1823 | 0 | None | -1 | 4 | Human | 5.7 | pKd | None | 5.7 | Binding | Guide to Pharmacology | 470 | 5 | 2 | 7 | 3.3 | COc1ccc2c(c1)c1c3c(=O)[nH]c(=O)c3c3c(c1n2CC(CN(C)C)O)n(C)c1c3cccc1 | 10860942 | ||
| CHEMBL157822 | 1823 | 0 | None | -1 | 4 | Human | 5.7 | pKd | None | 5.7 | Binding | Guide to Pharmacology | 470 | 5 | 2 | 7 | 3.3 | COc1ccc2c(c1)c1c3c(=O)[nH]c(=O)c3c3c(c1n2CC(CN(C)C)O)n(C)c1c3cccc1 | 10860942 | ||
| 15118529 | 4052 | 0 | None | 2 | 4 | Human | 5.9 | pKd | None | 5.9 | Binding | Guide to Pharmacology | 437 | 0 | 1 | 4 | 5.4 | C#C[C@]1(O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=Cc3c(C[C@]12C)cn1c(n3)nc2c1cccc2 | 12435818 | ||
| 340 | 4052 | 0 | None | 2 | 4 | Human | 5.9 | pKd | None | 5.9 | Binding | Guide to Pharmacology | 437 | 0 | 1 | 4 | 5.4 | C#C[C@]1(O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=Cc3c(C[C@]12C)cn1c(n3)nc2c1cccc2 | 12435818 | ||
| CHEMBL1256845 | 4052 | 0 | None | 2 | 4 | Human | 5.9 | pKd | None | 5.9 | Binding | Guide to Pharmacology | 437 | 0 | 1 | 4 | 5.4 | C#C[C@]1(O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=Cc3c(C[C@]12C)cn1c(n3)nc2c1cccc2 | 12435818 | ||
| 339 | 4050 | 0 | None | 1 | 4 | Human | 6.2 | pKd | None | 6.2 | Binding | Guide to Pharmacology | 439 | 0 | 1 | 4 | 5.2 | C#C[C@]1(O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@@H]2[C@]1(C)Cc1cn3c(nc1C2)nc1c3cccc1 | 12435818 | ||
| 9803245 | 4050 | 0 | None | 1 | 4 | Human | 6.2 | pKd | None | 6.2 | Binding | Guide to Pharmacology | 439 | 0 | 1 | 4 | 5.2 | C#C[C@]1(O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@@H]2[C@]1(C)Cc1cn3c(nc1C2)nc1c3cccc1 | 12435818 | ||
| CHEMBL2206331 | 4050 | 0 | None | 1 | 4 | Human | 6.2 | pKd | None | 6.2 | Binding | Guide to Pharmacology | 439 | 0 | 1 | 4 | 5.2 | C#C[C@]1(O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@@H]2[C@]1(C)Cc1cn3c(nc1C2)nc1c3cccc1 | 12435818 | ||
| 16219545 | 2188 | 0 | None | -1 | 2 | Human | 6.4 | pKd | None | 6.4 | Binding | Guide to Pharmacology | 537 | 6 | 2 | 7 | 5.6 | CCCCCCOC(=O)[C@@]1(O)C[C@@H]2O[C@@]1(C)n1c3ccccc3c3c1c1n2c2ccccc2c1c1c3CNC1=O | 10860942 | ||
| 337 | 2188 | 0 | None | -1 | 2 | Human | 6.4 | pKd | None | 6.4 | Binding | Guide to Pharmacology | 537 | 6 | 2 | 7 | 5.6 | CCCCCCOC(=O)[C@@]1(O)C[C@@H]2O[C@@]1(C)n1c3ccccc3c3c1c1n2c2ccccc2c1c1c3CNC1=O | 10860942 | ||
| 42519285 | 2560 | 15 | None | -60 | 5 | Human | 4.5 | pKi | < | 4.5 | 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 | -60 | 5 | Human | 4.5 | pKi | < | 4.5 | 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 | -60 | 5 | Human | 4.5 | pKi | < | 4.5 | 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 | ||
| 23056 | 112 | 29 | 3H-QNB | -1 | 8 | Human | 10.5 | pKi | = | 10.5 | 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 | 10.5 | pKi | = | 10.5 | 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 | 10.5 | pKi | = | 10.5 | 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 | 10.5 | pKi | = | 10.5 | 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 | 10.4 | 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 | ||
| 12057539 | 208018 | 42 | 3H-QNB | -1 | 21 | Human | 10.0 | pKi | = | 10 | 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 | 10.0 | pKi | = | 10 | 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 | 10.0 | pKi | = | 10 | Binding | PDSP KiDatabase | 289 | 4 | 1 | 4 | 1.9 | CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | None | ||
| 325 | 2049 | 0 | 3H-NMS | -1 | 9 | Human | 9.9 | pKi | = | 9.9 | 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 | -1 | 9 | Human | 9.9 | pKi | = | 9.9 | 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 | -1 | 9 | Human | 9.9 | pKi | = | 9.9 | 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 | -1 | 9 | Human | 9.9 | pKi | = | 9.9 | 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 | -1 | 9 | Human | 9.9 | pKi | = | 9.9 | Binding | PDSP KiDatabase | 332 | 5 | 1 | 3 | 2.9 | OCC(c1ccccc1)C(=O)OC1CC2CCC(C1)[N+]2(C)C(C)C | None | ||
| 131632304 | 216011 | 0 | 3H-QNB | 1 | 13 | Rat | 9.9 | pKi | = | 9.9 | Binding | PDSP KiDatabase | 303 | 4 | 1 | 5 | 0.9 | CN1C2CC(CC1C3C2O3)OC(=O)C(CO)C4=CC=CC=C4 | None | ||
| 325 | 2049 | 0 | 3H-NMS | 1 | 9 | Chicken | 9.7 | pKi | = | 9.7 | 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 | 1 | 9 | Chicken | 9.7 | pKi | = | 9.7 | 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 | 1 | 9 | Chicken | 9.7 | pKi | = | 9.7 | 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 | 1 | 9 | Chicken | 9.7 | pKi | = | 9.7 | 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 | 1 | 9 | Chicken | 9.7 | pKi | = | 9.7 | Binding | PDSP KiDatabase | 332 | 5 | 1 | 3 | 2.9 | OCC(c1ccccc1)C(=O)OC1CC2CCC(C1)[N+]2(C)C(C)C | None | ||
| 131632304 | 216011 | 0 | 3H-QNB | -2 | 13 | Human | 9.7 | pKi | = | 9.7 | Binding | PDSP KiDatabase | 303 | 4 | 1 | 5 | 0.9 | CN1C2CC(CC1C3C2O3)OC(=O)C(CO)C4=CC=CC=C4 | None | ||
| 131632304 | 216011 | 0 | 3H-NMS | -2 | 13 | Human | 9.7 | pKi | = | 9.7 | Binding | PDSP KiDatabase | 303 | 4 | 1 | 5 | 0.9 | CN1C2CC(CC1C3C2O3)OC(=O)C(CO)C4=CC=CC=C4 | None | ||
| 12057539 | 208018 | 42 | 3H-NMS | -1 | 21 | Human | 9.6 | pKi | = | 9.6 | 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 | 9.6 | pKi | = | 9.6 | 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 | 9.6 | pKi | = | 9.6 | 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 | 9.5 | pKi | = | 9.5 | 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 | 9.5 | pKi | = | 9.5 | 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 | 9.5 | pKi | = | 9.5 | 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 | 9.5 | pKi | = | 9.5 | 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 | 9.5 | pKi | = | 9.5 | 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 | 9.5 | pKi | = | 9.5 | 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 | 9.5 | pKi | = | 9.5 | 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 | 9.5 | pKi | = | 9.5 | 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 | 9.5 | pKi | = | 9.5 | Binding | PDSP KiDatabase | 289 | 4 | 1 | 4 | 1.9 | CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | None | ||
| 42470 | 216157 | 0 | 3H-NMS | 1 | 6 | Chicken | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 345 | 10 | 0 | 3 | 4.9 | CCN(CCCC(=O)C1CCCCC1)C(C)CC2=CC=C(C=C2)OC | None | ||
| 132947 | 3835 | 9 | 3H-QNB | -15 | 9 | Rat | 9.4 | pKi | = | 9.4 | 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-QNB | -15 | 9 | Rat | 9.4 | pKi | = | 9.4 | 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-QNB | -15 | 9 | Rat | 9.4 | pKi | = | 9.4 | 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 | ||
| 2028 | 2958 | 80 | 3H-NMS | -1 | 11 | Human | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | None | ||
| 359 | 2958 | 80 | 3H-NMS | -1 | 11 | Human | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | None | ||
| 4634 | 2958 | 80 | 3H-NMS | -1 | 11 | Human | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | None | ||
| CHEMBL1231 | 2958 | 80 | 3H-NMS | -1 | 11 | Human | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | None | ||
| DB01062 | 2958 | 80 | 3H-NMS | -1 | 11 | Human | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | None | ||
| 42470 | 216157 | 0 | 3H-NMS | -1 | 6 | Human | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | 345 | 10 | 0 | 3 | 4.9 | CCN(CCCC(=O)C1CCCCC1)C(C)CC2=CC=C(C=C2)OC | None | ||
| 42470 | 216157 | 0 | 3H-NMS | -1 | 6 | Human | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | 345 | 10 | 0 | 3 | 4.9 | CCN(CCCC(=O)C1CCCCC1)C(C)CC2=CC=C(C=C2)OC | None | ||
| 1734 | 116 | 10 | 3H-QNB | -1 | 13 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | None | ||
| 307 | 116 | 10 | 3H-QNB | -1 | 13 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | None | ||
| CHEMBL168067 | 116 | 10 | 3H-QNB | -1 | 13 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | 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 | ||
| 325 | 2049 | 0 | 3H-NMS | -1 | 9 | Human | 9.2 | pKi | = | 9.2 | 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 | -1 | 9 | Human | 9.2 | pKi | = | 9.2 | 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 | -1 | 9 | Human | 9.2 | pKi | = | 9.2 | 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 | -1 | 9 | Human | 9.2 | pKi | = | 9.2 | 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 | -1 | 9 | Human | 9.2 | pKi | = | 9.2 | 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-NMS | -1 | 21 | Chicken | 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-NMS | -1 | 21 | Chicken | 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-NMS | -1 | 21 | Chicken | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 289 | 4 | 1 | 4 | 1.9 | CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | None | ||
| 131632304 | 216011 | 0 | 3H-QNB | -2 | 13 | Human | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 303 | 4 | 1 | 5 | 0.9 | CN1C2CC(CC1C3C2O3)OC(=O)C(CO)C4=CC=CC=C4 | None | ||
| 2745 | 3832 | 42 | 3H-NMS | -5 | 9 | Human | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | None | ||
| 5572 | 3832 | 42 | 3H-NMS | -5 | 9 | Human | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | None | ||
| 66007 | 3832 | 42 | 3H-NMS | -5 | 9 | Human | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | None | ||
| 7315 | 3832 | 42 | 3H-NMS | -5 | 9 | Human | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | None | ||
| CHEMBL1490 | 3832 | 42 | 3H-NMS | -5 | 9 | Human | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | None | ||
| DB00376 | 3832 | 42 | 3H-NMS | -5 | 9 | Human | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | None | ||
| 3246155 | 215937 | 0 | 3H-NMS | -4 | 17 | Human | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 307 | 4 | 0 | 2 | 4.4 | CN1C2CCC1CC(C2)OC(C3=CC=CC=C3)C4=CC=CC=C4 | None | ||
| 131632304 | 216011 | 0 | 3H-NMS | -6 | 13 | Chicken | 9.0 | pKi | = | 9.0 | Binding | PDSP KiDatabase | 303 | 4 | 1 | 5 | 0.9 | CN1C2CC(CC1C3C2O3)OC(=O)C(CO)C4=CC=CC=C4 | None | ||
| 132947 | 3835 | 9 | 3H-QNB | -22 | 9 | Human | 9.0 | pKi | = | 9.0 | 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-QNB | -22 | 9 | Human | 9.0 | pKi | = | 9.0 | 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-QNB | -22 | 9 | Human | 9.0 | pKi | = | 9.0 | 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 | ||
| 12057539 | 208018 | 42 | 3H-Arachidonic Acid | -1 | 21 | Human | 9.0 | pKi | = | 9 | 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 | 9.0 | pKi | = | 9 | 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 | 9.0 | pKi | = | 9 | Binding | PDSP KiDatabase | 289 | 4 | 1 | 4 | 1.9 | CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | None | ||
| 154734599 | 2486 | 12 | 3H-QNB | -3 | 12 | Rat | 9.0 | pKi | = | 9.0 | Binding | PDSP KiDatabase | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | None | ||
| 327 | 2486 | 12 | 3H-QNB | -3 | 12 | Rat | 9.0 | pKi | = | 9.0 | Binding | PDSP KiDatabase | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | None | ||
| 4108 | 2486 | 12 | 3H-QNB | -3 | 12 | Rat | 9.0 | pKi | = | 9.0 | Binding | PDSP KiDatabase | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | None | ||
| CHEMBL27673 | 2486 | 12 | 3H-QNB | -3 | 12 | Rat | 9.0 | pKi | = | 9.0 | Binding | PDSP KiDatabase | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | None | ||
| 12057539 | 208018 | 42 | 3H-cAMP | -5 | 21 | Rat | 9.0 | pKi | = | 9.0 | Binding | PDSP KiDatabase | 289 | 4 | 1 | 4 | 1.9 | CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | None | ||
| 3661 | 208018 | 42 | 3H-cAMP | -5 | 21 | Rat | 9.0 | pKi | = | 9.0 | Binding | PDSP KiDatabase | 289 | 4 | 1 | 4 | 1.9 | CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | None | ||
| CHEMBL9751 | 208018 | 42 | 3H-cAMP | -5 | 21 | Rat | 9.0 | pKi | = | 9.0 | Binding | PDSP KiDatabase | 289 | 4 | 1 | 4 | 1.9 | CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | None | ||
| 3246155 | 215937 | 0 | 3H-QNB | -4 | 17 | Human | 9.0 | pKi | = | 9.0 | Binding | PDSP KiDatabase | 307 | 4 | 0 | 2 | 4.4 | CN1C2CCC1CC(C2)OC(C3=CC=CC=C3)C4=CC=CC=C4 | None | ||
| 1734 | 116 | 10 | 3H-NMS | -1 | 13 | Human | 8.9 | pKi | = | 8.9 | 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 | 8.9 | pKi | = | 8.9 | 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 | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | None | ||
| 1734 | 116 | 10 | 3H-4-DAMP | -1 | 13 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | None | ||
| 307 | 116 | 10 | 3H-4-DAMP | -1 | 13 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | None | ||
| CHEMBL168067 | 116 | 10 | 3H-4-DAMP | -1 | 13 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | None | ||
| 1734 | 116 | 10 | 3H-cAMP | -3 | 13 | Rat | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | None | ||
| 307 | 116 | 10 | 3H-cAMP | -3 | 13 | Rat | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | None | ||
| CHEMBL168067 | 116 | 10 | 3H-cAMP | -3 | 13 | Rat | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | None | ||
| 1734 | 116 | 10 | 3H-NMS | -1 | 13 | Human | 8.9 | pKi | = | 8.9 | 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 | 8.9 | pKi | = | 8.9 | 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 | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | None | ||
| 3042 | 1402 | 35 | 3H-NMS | -1 | 15 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | None | ||
| 355 | 1402 | 35 | 3H-NMS | -1 | 15 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | None | ||
| 868 | 1402 | 35 | 3H-NMS | -1 | 15 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | None | ||
| CHEMBL1123 | 1402 | 35 | 3H-NMS | -1 | 15 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | None | ||
| DB00804 | 1402 | 35 | 3H-NMS | -1 | 15 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | None | ||
| 1734 | 116 | 10 | 3H-QNB | -1 | 13 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | None | ||
| 307 | 116 | 10 | 3H-QNB | -1 | 13 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | None | ||
| CHEMBL168067 | 116 | 10 | 3H-QNB | -1 | 13 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | None | ||
| 2381 | 660 | 48 | 3H-NMS | -3 | 9 | Chicken | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 311 | 5 | 1 | 2 | 4.0 | OC(C1CC2CC1C=C2)(c1ccccc1)CCN1CCCCC1 | None | ||
| 374 | 660 | 48 | 3H-NMS | -3 | 9 | Chicken | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 311 | 5 | 1 | 2 | 4.0 | OC(C1CC2CC1C=C2)(c1ccccc1)CCN1CCCCC1 | None | ||
| 7128 | 660 | 48 | 3H-NMS | -3 | 9 | Chicken | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 311 | 5 | 1 | 2 | 4.0 | OC(C1CC2CC1C=C2)(c1ccccc1)CCN1CCCCC1 | None | ||
| CHEMBL1101 | 660 | 48 | 3H-NMS | -3 | 9 | Chicken | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 311 | 5 | 1 | 2 | 4.0 | OC(C1CC2CC1C=C2)(c1ccccc1)CCN1CCCCC1 | None | ||
| DB00810 | 660 | 48 | 3H-NMS | -3 | 9 | Chicken | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 311 | 5 | 1 | 2 | 4.0 | OC(C1CC2CC1C=C2)(c1ccccc1)CCN1CCCCC1 | None | ||
| 2745 | 3832 | 42 | 3H-NMS | -2 | 9 | Chicken | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | None | ||
| 2745 | 3832 | 42 | 3H-NMS | -5 | 9 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | None | ||
| 5572 | 3832 | 42 | 3H-NMS | -2 | 9 | Chicken | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | None | ||
| 5572 | 3832 | 42 | 3H-NMS | -5 | 9 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | None | ||
| 66007 | 3832 | 42 | 3H-NMS | -2 | 9 | Chicken | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | None | ||
| 66007 | 3832 | 42 | 3H-NMS | -5 | 9 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | None | ||
| 7315 | 3832 | 42 | 3H-NMS | -2 | 9 | Chicken | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | None | ||
| 7315 | 3832 | 42 | 3H-NMS | -5 | 9 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | None | ||
| CHEMBL1490 | 3832 | 42 | 3H-NMS | -2 | 9 | Chicken | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | None | ||
| CHEMBL1490 | 3832 | 42 | 3H-NMS | -5 | 9 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | None | ||
| DB00376 | 3832 | 42 | 3H-NMS | -2 | 9 | Chicken | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | None | ||
| DB00376 | 3832 | 42 | 3H-NMS | -5 | 9 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | None | ||
| 135398745 | 2893 | 112 | 3H-NMS | -32 | 66 | Human | 8.0 | pKi | = | 8 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| 135398745 | 2893 | 112 | 3H-QNB | -32 | 66 | Human | 8.0 | pKi | = | 8 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| 47 | 2893 | 112 | 3H-NMS | -32 | 66 | Human | 8.0 | pKi | = | 8 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| 47 | 2893 | 112 | 3H-QNB | -32 | 66 | Human | 8.0 | pKi | = | 8 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| CHEMBL715 | 2893 | 112 | 3H-NMS | -32 | 66 | Human | 8.0 | pKi | = | 8 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| CHEMBL715 | 2893 | 112 | 3H-QNB | -32 | 66 | Human | 8.0 | pKi | = | 8 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| DB00334 | 2893 | 112 | 3H-NMS | -32 | 66 | Human | 8.0 | pKi | = | 8 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| DB00334 | 2893 | 112 | 3H-QNB | -32 | 66 | Human | 8.0 | pKi | = | 8 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| 154825138 | 216012 | 0 | 3H-4-DAMP | -1 | 12 | Human | 8.0 | pKi | = | 8 | Binding | PDSP KiDatabase | 345 | 2 | 0 | 3 | 4.4 | CC1CCCC(N1C)C=CC2C3CCCCC3CC4C2C(OC4=O)C | None | ||
| None | 216232 | 0 | 3H-NMS | -1 | 5 | Human | 8.0 | pKi | = | 8 | 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 | ||
| 316 | 2816 | 19 | None | -9 | 9 | Human | 8.0 | pKi | = | 8 | 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 | 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 | 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 | 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 | 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 | 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 | ||
| 2293 | 3164 | 27 | None | 1 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 368 | 6 | 0 | 3 | 4.7 | O=C(C1c2ccccc2Oc2c1cccc2)OCC[N+](C(C)C)(C(C)C)C | None | ||
| 329 | 3164 | 27 | None | 1 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 368 | 6 | 0 | 3 | 4.7 | O=C(C1c2ccccc2Oc2c1cccc2)OCC[N+](C(C)C)(C(C)C)C | None | ||
| 4934 | 3164 | 27 | None | 1 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 368 | 6 | 0 | 3 | 4.7 | O=C(C1c2ccccc2Oc2c1cccc2)OCC[N+](C(C)C)(C(C)C)C | None | ||
| CHEMBL1180725 | 3164 | 27 | None | 1 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 368 | 6 | 0 | 3 | 4.7 | O=C(C1c2ccccc2Oc2c1cccc2)OCC[N+](C(C)C)(C(C)C)C | None | ||
| DB00782 | 3164 | 27 | None | 1 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 368 | 6 | 0 | 3 | 4.7 | O=C(C1c2ccccc2Oc2c1cccc2)OCC[N+](C(C)C)(C(C)C)C | None | ||
| 11519069 | 3908 | 3 | None | -3 | 5 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 428 | 8 | 1 | 2 | 5.1 | OC(C12CC[N+](CC1)(CC2)CCOCc1ccccc1)(c1ccccc1)c1ccccc1 | None | ||
| 11519070 | 3908 | 3 | None | -3 | 5 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 428 | 8 | 1 | 2 | 5.1 | OC(C12CC[N+](CC1)(CC2)CCOCc1ccccc1)(c1ccccc1)c1ccccc1 | None | ||
| 4816 | 3908 | 3 | None | -3 | 5 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 428 | 8 | 1 | 2 | 5.1 | OC(C12CC[N+](CC1)(CC2)CCOCc1ccccc1)(c1ccccc1)c1ccccc1 | None | ||
| 7354 | 3908 | 3 | None | -3 | 5 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 428 | 8 | 1 | 2 | 5.1 | OC(C12CC[N+](CC1)(CC2)CCOCc1ccccc1)(c1ccccc1)c1ccccc1 | None | ||
| CHEMBL1187833 | 3908 | 3 | None | -3 | 5 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 428 | 8 | 1 | 2 | 5.1 | OC(C12CC[N+](CC1)(CC2)CCOCc1ccccc1)(c1ccccc1)c1ccccc1 | None | ||
| DB09076 | 3908 | 3 | None | -3 | 5 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 428 | 8 | 1 | 2 | 5.1 | OC(C12CC[N+](CC1)(CC2)CCOCc1ccccc1)(c1ccccc1)c1ccccc1 | None | ||
| 154825138 | 216012 | 0 | 3H-QNB | -1 | 12 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 345 | 2 | 0 | 3 | 4.4 | CC1CCCC(N1C)C=CC2C3CCCCC3CC4C2C(OC4=O)C | None | ||
| 310 | 1909 | 0 | 3H-NMS | -4 | 11 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 331 | 6 | 1 | 2 | 4.0 | O[Si](c1ccccc1)(C1CCCCC1)CCCN1CCCCC1 | None | ||
| 3602 | 1909 | 0 | 3H-NMS | -4 | 11 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 331 | 6 | 1 | 2 | 4.0 | O[Si](c1ccccc1)(C1CCCCC1)CCCN1CCCCC1 | None | ||
| CHEMBL3545990 | 1909 | 0 | 3H-NMS | -4 | 11 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 331 | 6 | 1 | 2 | 4.0 | O[Si](c1ccccc1)(C1CCCCC1)CCCN1CCCCC1 | None | ||
| 154825138 | 216012 | 0 | 3H-NMS | -1 | 12 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 345 | 2 | 0 | 3 | 4.4 | CC1CCCC(N1C)C=CC2C3CCCCC3CC4C2C(OC4=O)C | None | ||
| 308 | 2047 | 23 | 3H-NMS | -4 | 9 | Mouse | 7.0 | pKi | = | 7 | Binding | PDSP KiDatabase | 349 | 6 | 1 | 2 | 4.2 | Fc1ccc(cc1)[Si](C1CCCCC1)(CCCN1CCCCC1)O | None | ||
| 3603 | 2047 | 23 | 3H-NMS | -4 | 9 | Mouse | 7.0 | pKi | = | 7 | Binding | PDSP KiDatabase | 349 | 6 | 1 | 2 | 4.2 | Fc1ccc(cc1)[Si](C1CCCCC1)(CCCN1CCCCC1)O | None | ||
| CHEMBL1256682 | 2047 | 23 | 3H-NMS | -4 | 9 | Mouse | 7.0 | pKi | = | 7 | Binding | PDSP KiDatabase | 349 | 6 | 1 | 2 | 4.2 | Fc1ccc(cc1)[Si](C1CCCCC1)(CCCN1CCCCC1)O | None | ||
| 154734599 | 2486 | 12 | 3H-NMS | -3 | 12 | Rat | 7.0 | pKi | = | 7 | Binding | PDSP KiDatabase | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | None | ||
| 327 | 2486 | 12 | 3H-NMS | -3 | 12 | Rat | 7.0 | pKi | = | 7 | Binding | PDSP KiDatabase | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | None | ||
| 4108 | 2486 | 12 | 3H-NMS | -3 | 12 | Rat | 7.0 | pKi | = | 7 | Binding | PDSP KiDatabase | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | None | ||
| CHEMBL27673 | 2486 | 12 | 3H-NMS | -3 | 12 | Rat | 7.0 | pKi | = | 7 | Binding | PDSP KiDatabase | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | None | ||
| 10090005 | 215961 | 0 | 3H-QNB | -1258 | 11 | Human | 6.0 | pKi | = | 6 | 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 | ||
| 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 | -6918 | 86 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| 3559 | 1898 | 93 | 3H-QNB | -6918 | 86 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| 86 | 1898 | 93 | 3H-QNB | -6918 | 86 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| CHEMBL54 | 1898 | 93 | 3H-QNB | -6918 | 86 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| DB00502 | 1898 | 93 | 3H-QNB | -6918 | 86 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| 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 | ||
| 15897 | 2840 | 0 | 3H-QNB | -173 | 37 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | ||
| 215 | 2840 | 0 | 3H-QNB | -173 | 37 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | ||
| CHEMBL1979333 | 2840 | 0 | 3H-QNB | -173 | 37 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | 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 | -1445 | 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 | -1445 | 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 | -1445 | 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 | -1445 | 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 | -1445 | 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 | ||
| 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 | -190 | 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 | -190 | 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 | -190 | 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 | -190 | 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 | -190 | 54 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | 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 | ||
| 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 | ||
| 1979 | 77297 | 70 | 3H-cAMP | -13 | 4 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 169 | 1 | 0 | 3 | 0.6 | CC(=O)OC1CN2CCC1CC2 | None | ||
| CHEMBL20835 | 77297 | 70 | 3H-cAMP | -13 | 4 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 169 | 1 | 0 | 3 | 0.6 | CC(=O)OC1CN2CCC1CC2 | 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 | ||
| 46780481 | 107504 | 20 | 3H-QNB | -58884 | 54 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | ||
| 9903970 | 107504 | 20 | 3H-QNB | -58884 | 54 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | ||
| CHEMBL3187365 | 107504 | 20 | 3H-QNB | -58884 | 54 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | ||
| CHEMBL3544974 | 107504 | 20 | 3H-QNB | -58884 | 54 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | 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 | ||
| 44208932 | 140682 | 7 | UNDEFINED | -89125 | 37 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 475 | 5 | 1 | 3 | 6.8 | Cc1ccc(Cn2nc(C(=O)NC3C4(C)CCC(C4)C3(C)C)cc2-c2ccc(Cl)c(C)c2)cc1 | None | ||
| CHEMBL381689 | 140682 | 7 | UNDEFINED | -89125 | 37 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 475 | 5 | 1 | 3 | 6.8 | Cc1ccc(Cn2nc(C(=O)NC3C4(C)CCC(C4)C3(C)C)cc2-c2ccc(Cl)c(C)c2)cc1 | 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 | ||
| 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 | ||
| 3337 | 206344 | 27 | 3H-QNB | -190 | 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 | -190 | 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 | -190 | 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 | -190 | 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 | -190 | 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 | ||
| 11954259 | 215954 | 0 | 3H-QNB | -13182 | 44 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 443 | 5 | 0 | 5 | 3.5 | CN1CCN(CC1)CCC=C2C3=CC=CC=C3SC4=C2C=C(C=C4)S(=O)(=O)N(C)C | None | ||
| 11957621 | 216013 | 0 | 3H-QNB | -1 | 10 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 203 | 3 | 2 | 3 | 1.3 | COC1=C(C=CC(=C1)CCN)O.Cl | None | ||
| 11957621 | 216013 | 0 | 3H-QNB | -1 | 10 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 203 | 3 | 2 | 3 | 1.3 | COC1=C(C=CC(=C1)CCN)O.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 | 216213 | 0 | 3H-QNB | -70794 | 30 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 316 | 7 | 3 | 3 | 3.0 | CC(CF)NCC(COC1=CC=CC2=C1C3=CC=CC=C3N2)O | 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 | 216304 | 0 | 3H-QNB | -281 | 28 | Human | 5.0 | pKi | = | 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 | ||
| 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 | ||
| 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 | -10 | 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 | -10 | 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 | -10 | 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 | -10 | 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 | -10 | 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 | -10 | 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 | -10 | 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 | ||
| 135398737 | 955 | 93 | 3H-QNB | -7 | 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 | -7 | 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 | -7 | 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 | -7 | 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 | -7 | 92 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 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 | ||
| 308 | 2047 | 23 | 3H-NMS | -4 | 9 | Rat | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 349 | 6 | 1 | 2 | 4.2 | Fc1ccc(cc1)[Si](C1CCCCC1)(CCCN1CCCCC1)O | None | ||
| 3603 | 2047 | 23 | 3H-NMS | -4 | 9 | Rat | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 349 | 6 | 1 | 2 | 4.2 | Fc1ccc(cc1)[Si](C1CCCCC1)(CCCN1CCCCC1)O | None | ||
| CHEMBL1256682 | 2047 | 23 | 3H-NMS | -4 | 9 | Rat | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 349 | 6 | 1 | 2 | 4.2 | Fc1ccc(cc1)[Si](C1CCCCC1)(CCCN1CCCCC1)O | None | ||
| 1224 | 1420 | 83 | 3H-QNB | -3 | 13 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | None | ||
| 3100 | 1420 | 83 | 3H-QNB | -3 | 13 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | None | ||
| 8980 | 1420 | 83 | 3H-QNB | -3 | 13 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | None | ||
| 916 | 1420 | 83 | 3H-QNB | -3 | 13 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | None | ||
| CHEMBL657 | 1420 | 83 | 3H-QNB | -3 | 13 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | None | ||
| DB01075 | 1420 | 83 | 3H-QNB | -3 | 13 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | None | ||
| 1427 | 2000 | 54 | 3H-QNB | -2 | 27 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | None | ||
| 357 | 2000 | 54 | 3H-QNB | -2 | 27 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | None | ||
| 3696 | 2000 | 54 | 3H-QNB | -2 | 27 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | None | ||
| CHEMBL11 | 2000 | 54 | 3H-QNB | -2 | 27 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | None | ||
| DB00458 | 2000 | 54 | 3H-QNB | -2 | 27 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | None | ||
| 62865 | 1263 | 0 | 3H-4-DAMP | -3 | 15 | Human | 7.9 | pKi | = | 7.9 | 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 | -3 | 15 | Human | 7.9 | pKi | = | 7.9 | 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 | -3 | 15 | Human | 7.9 | pKi | = | 7.9 | 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 | -3 | 15 | Human | 7.9 | pKi | = | 7.9 | 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 | -3 | 15 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 323 | 4 | 0 | 4 | 4.4 | N#Cc1ccc2c(c1)N(CC(CN(C)C)C)c1c(S2)cccc1 | None | ||
| 5387 | 94850 | 31 | 3H-QNB | -3 | 6 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 370 | 2 | 1 | 5 | 2.5 | Cc1scc2c1N(C(=O)CN1CCN(C)CC1)c1ccccc1NC2=O | None | ||
| CHEMBL253978 | 94850 | 31 | 3H-QNB | -3 | 6 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 370 | 2 | 1 | 5 | 2.5 | Cc1scc2c1N(C(=O)CN1CCN(C)CC1)c1ccccc1NC2=O | None | ||
| 135398745 | 2893 | 112 | 3H-NMS | -6 | 66 | Rat | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| 135398745 | 2893 | 112 | 3H-QNB | -6 | 66 | Rat | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| 47 | 2893 | 112 | 3H-NMS | -6 | 66 | Rat | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| 47 | 2893 | 112 | 3H-QNB | -6 | 66 | Rat | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| CHEMBL715 | 2893 | 112 | 3H-NMS | -6 | 66 | Rat | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| CHEMBL715 | 2893 | 112 | 3H-QNB | -6 | 66 | Rat | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| DB00334 | 2893 | 112 | 3H-NMS | -6 | 66 | Rat | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| DB00334 | 2893 | 112 | 3H-QNB | -6 | 66 | Rat | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| 154825138 | 216012 | 0 | 3H-NMS | -1 | 12 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 345 | 2 | 0 | 3 | 4.4 | CC1CCCC(N1C)C=CC2C3CCCCC3CC4C2C(OC4=O)C | None | ||
| 154825138 | 216012 | 0 | 3H-NMS | -3 | 12 | Rat | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 345 | 2 | 0 | 3 | 4.4 | CC1CCCC(N1C)C=CC2C3CCCCC3CC4C2C(OC4=O)C | None | ||
| 154734599 | 2486 | 12 | 3H-NMS | -1 | 12 | Chicken | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | None | ||
| 327 | 2486 | 12 | 3H-NMS | -1 | 12 | Chicken | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | None | ||
| 4108 | 2486 | 12 | 3H-NMS | -1 | 12 | Chicken | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | None | ||
| CHEMBL27673 | 2486 | 12 | 3H-NMS | -1 | 12 | Chicken | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | None | ||
| 154734599 | 2486 | 12 | 3H-NMS | -3 | 12 | Rat | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | None | ||
| 327 | 2486 | 12 | 3H-NMS | -3 | 12 | Rat | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | None | ||
| 4108 | 2486 | 12 | 3H-NMS | -3 | 12 | Rat | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | None | ||
| CHEMBL27673 | 2486 | 12 | 3H-NMS | -3 | 12 | Rat | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | None | ||
| 279 | 1648 | 26 | 3H-QNB | -2 | 18 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 309 | 0 | 0 | 3 | 3.1 | CN1CCN(CC1)C1=Nc2cc(F)ccc2Cc2c1cccc2 | None | ||
| 49381 | 1648 | 26 | 3H-QNB | -2 | 18 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 309 | 0 | 0 | 3 | 3.1 | CN1CCN(CC1)C1=Nc2cc(F)ccc2Cc2c1cccc2 | None | ||
| CHEMBL63756 | 1648 | 26 | 3H-QNB | -2 | 18 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 309 | 0 | 0 | 3 | 3.1 | CN1CCN(CC1)C1=Nc2cc(F)ccc2Cc2c1cccc2 | None | ||
| 2774 | 3839 | 95 | 3H-NMS | 1 | 10 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | None | ||
| 5593 | 3839 | 95 | 3H-NMS | 1 | 10 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | None | ||
| 7319 | 3839 | 95 | 3H-NMS | 1 | 10 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | None | ||
| CHEMBL1200604 | 3839 | 95 | 3H-NMS | 1 | 10 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | None | ||
| DB00809 | 3839 | 95 | 3H-NMS | 1 | 10 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | None | ||
| DB01199 | 3839 | 95 | 3H-NMS | 1 | 10 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | None | ||
| 68617 | 205504 | 62 | 3H-QNB | -20 | 26 | Human | 5.9 | pKi | = | 5.9 | 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 | -20 | 26 | Human | 5.9 | pKi | = | 5.9 | 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 | -20 | 26 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | None | ||
| 154734599 | 2486 | 12 | 3H-NMS | -2 | 12 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | None | ||
| 327 | 2486 | 12 | 3H-NMS | -2 | 12 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | None | ||
| 4108 | 2486 | 12 | 3H-NMS | -2 | 12 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | None | ||
| CHEMBL27673 | 2486 | 12 | 3H-NMS | -2 | 12 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | None | ||
| 1353 | 1898 | 93 | 3H-QNB | -1047 | 86 | Rat | 5.8 | pKi | = | 5.8 | 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 | -1047 | 86 | Rat | 5.8 | pKi | = | 5.8 | 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 | -1047 | 86 | Rat | 5.8 | pKi | = | 5.8 | 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 | -1047 | 86 | Rat | 5.8 | pKi | = | 5.8 | 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 | -1047 | 86 | Rat | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| 2726 | 916 | 68 | 3H-QNB | -25 | 73 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 621 | 916 | 68 | 3H-QNB | -25 | 73 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 83 | 916 | 68 | 3H-QNB | -25 | 73 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| CHEMBL71 | 916 | 68 | 3H-QNB | -25 | 73 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| DB00477 | 916 | 68 | 3H-QNB | -25 | 73 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 242 | 469 | 124 | 3H-QNB | -67 | 52 | Human | 5.8 | pKi | = | 5.8 | 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 | -67 | 52 | Human | 5.8 | pKi | = | 5.8 | 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 | -67 | 52 | Human | 5.8 | pKi | = | 5.8 | 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 | -67 | 52 | Human | 5.8 | pKi | = | 5.8 | 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 | -67 | 52 | Human | 5.8 | pKi | = | 5.8 | 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 | -67 | 52 | Human | 5.8 | pKi | = | 5.8 | 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 | -67 | 52 | Human | 5.8 | pKi | = | 5.8 | 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 | -67 | 52 | Human | 5.8 | pKi | = | 5.8 | 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 | -67 | 52 | Human | 5.8 | pKi | = | 5.8 | 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 | -67 | 52 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
| 11954259 | 215954 | 0 | 3H-QNB | -13182 | 44 | Human | 5.8 | pKi | = | 5.8 | 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 | ||
| 5831 | 215938 | 0 | 3H-cAMP | -25 | 12 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 182 | 3 | 1 | 2 | -3.2 | C[N+](C)(C)CCOC(=O)N.[Cl-] | None | ||
| 310 | 1909 | 0 | 3H-QNB | -4 | 11 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 331 | 6 | 1 | 2 | 4.0 | O[Si](c1ccccc1)(C1CCCCC1)CCCN1CCCCC1 | None | ||
| 3602 | 1909 | 0 | 3H-QNB | -4 | 11 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 331 | 6 | 1 | 2 | 4.0 | O[Si](c1ccccc1)(C1CCCCC1)CCCN1CCCCC1 | None | ||
| CHEMBL3545990 | 1909 | 0 | 3H-QNB | -4 | 11 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 331 | 6 | 1 | 2 | 4.0 | O[Si](c1ccccc1)(C1CCCCC1)CCCN1CCCCC1 | None | ||
| 154734599 | 2486 | 12 | 3H-NMS | -12 | 12 | Mouse | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | None | ||
| 327 | 2486 | 12 | 3H-NMS | -12 | 12 | Mouse | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | None | ||
| 4108 | 2486 | 12 | 3H-NMS | -12 | 12 | Mouse | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | None | ||
| CHEMBL27673 | 2486 | 12 | 3H-NMS | -12 | 12 | Mouse | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 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 | ||
| 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 | ||
| 135409468 | 2022 | 69 | 3H-QNB | -79 | 40 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 312 | 1 | 2 | 4 | 1.7 | Clc1ccc2c(c1)NC(=c1c(=N2)cccc1)N1CCNCC1 | None | ||
| 333 | 2022 | 69 | 3H-QNB | -79 | 40 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 312 | 1 | 2 | 4 | 1.7 | Clc1ccc2c(c1)NC(=c1c(=N2)cccc1)N1CCNCC1 | None | ||
| CHEMBL845 | 2022 | 69 | 3H-QNB | -79 | 40 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 312 | 1 | 2 | 4 | 1.7 | Clc1ccc2c(c1)NC(=c1c(=N2)cccc1)N1CCNCC1 | None | ||
| 4601 | 206724 | 35 | 3H-QNB | -1 | 17 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 269 | 6 | 0 | 2 | 3.7 | Cc1ccccc1C(OCCN(C)C)c1ccccc1 | None | ||
| CHEMBL1201023 | 206724 | 35 | 3H-QNB | -1 | 17 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 269 | 6 | 0 | 2 | 3.7 | Cc1ccccc1C(OCCN(C)C)c1ccccc1 | None | ||
| CHEMBL900 | 206724 | 35 | 3H-QNB | -1 | 17 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 269 | 6 | 0 | 2 | 3.7 | Cc1ccccc1C(OCCN(C)C)c1ccccc1 | None | ||
| 2448 | 99295 | 70 | 3H-QNB | -70 | 18 | Human | 5.8 | pKi | = | 5.8 | 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 | -70 | 18 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 419 | 6 | 1 | 3 | 4.5 | O=C(CCCN1CCC(O)(c2ccc(Br)cc2)CC1)c1ccc(F)cc1 | None | ||
| 11976 | 917 | 59 | 3H-QNB | -11 | 24 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 315 | 3 | 0 | 2 | 5.2 | CN(C)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)Cl | None | ||
| 667467 | 917 | 59 | 3H-QNB | -11 | 24 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 315 | 3 | 0 | 2 | 5.2 | CN(C)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)Cl | None | ||
| CHEMBL908 | 917 | 59 | 3H-QNB | -11 | 24 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 315 | 3 | 0 | 2 | 5.2 | CN(C)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)Cl | None | ||
| DB01239 | 917 | 59 | 3H-QNB | -11 | 24 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 315 | 3 | 0 | 2 | 5.2 | CN(C)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)Cl | None | ||
| 135398737 | 955 | 93 | 3H-NMS | -7 | 92 | Rat | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 135398737 | 955 | 93 | 3H-QNB | -7 | 92 | Rat | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 38 | 955 | 93 | 3H-NMS | -7 | 92 | Rat | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 38 | 955 | 93 | 3H-QNB | -7 | 92 | Rat | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 722 | 955 | 93 | 3H-NMS | -7 | 92 | Rat | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 722 | 955 | 93 | 3H-QNB | -7 | 92 | Rat | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| CHEMBL42 | 955 | 93 | 3H-NMS | -7 | 92 | Rat | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| CHEMBL42 | 955 | 93 | 3H-QNB | -7 | 92 | Rat | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| DB00363 | 955 | 93 | 3H-NMS | -7 | 92 | Rat | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| DB00363 | 955 | 93 | 3H-QNB | -7 | 92 | Rat | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 1712 | 2475 | 43 | 3H-QNB | -3 | 22 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 386 | 4 | 0 | 4 | 4.9 | CN1CCCCC1CCN1c2ccccc2Sc2c1cc(cc2)S(=O)C | None | ||
| 4078 | 2475 | 43 | 3H-QNB | -3 | 22 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 386 | 4 | 0 | 4 | 4.9 | CN1CCCCC1CCN1c2ccccc2Sc2c1cc(cc2)S(=O)C | None | ||
| 7227 | 2475 | 43 | 3H-QNB | -3 | 22 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 386 | 4 | 0 | 4 | 4.9 | CN1CCCCC1CCN1c2ccccc2Sc2c1cc(cc2)S(=O)C | None | ||
| CHEMBL1088 | 2475 | 43 | 3H-QNB | -3 | 22 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 386 | 4 | 0 | 4 | 4.9 | CN1CCCCC1CCN1c2ccccc2Sc2c1cc(cc2)S(=O)C | None | ||
| DB00933 | 2475 | 43 | 3H-QNB | -3 | 22 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 386 | 4 | 0 | 4 | 4.9 | CN1CCCCC1CCN1c2ccccc2Sc2c1cc(cc2)S(=O)C | None | ||
| None | 216230 | 0 | 3H-NMS | -1 | 5 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 311 | 3 | 1 | 2 | 3.9 | C1CCC(CC1)C(C#CCN2CCCCC2)(C3=CC=CC=C3)O | None | ||
| 3652 | 4066 | 79 | 3H-QNB | -3 | 18 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | None | ||
| 57 | 4066 | 79 | 3H-QNB | -3 | 18 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | None | ||
| 60809 | 4066 | 79 | 3H-QNB | -3 | 18 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | None | ||
| CHEMBL21536 | 4066 | 79 | 3H-QNB | -3 | 18 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | None | ||
| DB15357 | 4066 | 79 | 3H-QNB | -3 | 18 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | None | ||
| 11957621 | 216013 | 0 | 3H-NMS | -1 | 10 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 203 | 3 | 2 | 3 | 1.3 | COC1=C(C=CC(=C1)CCN)O.Cl | None | ||
| 11957621 | 216013 | 0 | 3H-NMS | -1 | 10 | Rat | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 203 | 3 | 2 | 3 | 1.3 | COC1=C(C=CC(=C1)CCN)O.Cl | None | ||
| 1734 | 116 | 10 | 3H-QNB | -1 | 13 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | None | ||
| 307 | 116 | 10 | 3H-QNB | -1 | 13 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | None | ||
| CHEMBL168067 | 116 | 10 | 3H-QNB | -1 | 13 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | None | ||
| 2381 | 660 | 48 | 3H-NMS | -9 | 9 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 311 | 5 | 1 | 2 | 4.0 | OC(C1CC2CC1C=C2)(c1ccccc1)CCN1CCCCC1 | None | ||
| 374 | 660 | 48 | 3H-NMS | -9 | 9 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 311 | 5 | 1 | 2 | 4.0 | OC(C1CC2CC1C=C2)(c1ccccc1)CCN1CCCCC1 | None | ||
| 7128 | 660 | 48 | 3H-NMS | -9 | 9 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 311 | 5 | 1 | 2 | 4.0 | OC(C1CC2CC1C=C2)(c1ccccc1)CCN1CCCCC1 | None | ||
| CHEMBL1101 | 660 | 48 | 3H-NMS | -9 | 9 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 311 | 5 | 1 | 2 | 4.0 | OC(C1CC2CC1C=C2)(c1ccccc1)CCN1CCCCC1 | None | ||
| DB00810 | 660 | 48 | 3H-NMS | -9 | 9 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 311 | 5 | 1 | 2 | 4.0 | OC(C1CC2CC1C=C2)(c1ccccc1)CCN1CCCCC1 | None | ||
| 3246155 | 215937 | 0 | 3H-NMS | -9 | 17 | Chicken | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 307 | 4 | 0 | 2 | 4.4 | CN1C2CCC1CC(C2)OC(C3=CC=CC=C3)C4=CC=CC=C4 | None | ||
| 2381 | 660 | 48 | 3H-QNB | -9 | 9 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 311 | 5 | 1 | 2 | 4.0 | OC(C1CC2CC1C=C2)(c1ccccc1)CCN1CCCCC1 | None | ||
| 374 | 660 | 48 | 3H-QNB | -9 | 9 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 311 | 5 | 1 | 2 | 4.0 | OC(C1CC2CC1C=C2)(c1ccccc1)CCN1CCCCC1 | None | ||
| 7128 | 660 | 48 | 3H-QNB | -9 | 9 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 311 | 5 | 1 | 2 | 4.0 | OC(C1CC2CC1C=C2)(c1ccccc1)CCN1CCCCC1 | None | ||
| CHEMBL1101 | 660 | 48 | 3H-QNB | -9 | 9 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 311 | 5 | 1 | 2 | 4.0 | OC(C1CC2CC1C=C2)(c1ccccc1)CCN1CCCCC1 | None | ||
| DB00810 | 660 | 48 | 3H-QNB | -9 | 9 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 311 | 5 | 1 | 2 | 4.0 | OC(C1CC2CC1C=C2)(c1ccccc1)CCN1CCCCC1 | None | ||
| 5387 | 94850 | 31 | 3H-NMS | -1 | 6 | Chicken | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 370 | 2 | 1 | 5 | 2.5 | Cc1scc2c1N(C(=O)CN1CCN(C)CC1)c1ccccc1NC2=O | None | ||
| CHEMBL253978 | 94850 | 31 | 3H-NMS | -1 | 6 | Chicken | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 370 | 2 | 1 | 5 | 2.5 | Cc1scc2c1N(C(=O)CN1CCN(C)CC1)c1ccccc1NC2=O | None | ||
| 2905 | 14466 | 50 | 3H-NMS | -1 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 291 | 6 | 1 | 4 | 2.2 | CN(C)CCOC(=O)C(c1ccccc1)C1(O)CCCC1 | None | ||
| CHEMBL1201338 | 14466 | 50 | 3H-NMS | -1 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 291 | 6 | 1 | 4 | 2.2 | CN(C)CCOC(=O)C(c1ccccc1)C1(O)CCCC1 | None | ||
| 2745 | 3832 | 42 | 3H-QNB | -5 | 9 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | None | ||
| 5572 | 3832 | 42 | 3H-QNB | -5 | 9 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | None | ||
| 66007 | 3832 | 42 | 3H-QNB | -5 | 9 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | None | ||
| 7315 | 3832 | 42 | 3H-QNB | -5 | 9 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | None | ||
| CHEMBL1490 | 3832 | 42 | 3H-QNB | -5 | 9 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | None | ||
| DB00376 | 3832 | 42 | 3H-QNB | -5 | 9 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | None | ||
| 5387 | 94850 | 31 | 3H-NMS | -3 | 6 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 370 | 2 | 1 | 5 | 2.5 | Cc1scc2c1N(C(=O)CN1CCN(C)CC1)c1ccccc1NC2=O | None | ||
| CHEMBL253978 | 94850 | 31 | 3H-NMS | -3 | 6 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 370 | 2 | 1 | 5 | 2.5 | Cc1scc2c1N(C(=O)CN1CCN(C)CC1)c1ccccc1NC2=O | None | ||
| 2028 | 2958 | 80 | 3H-NMS | -1 | 11 | Chicken | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | None | ||
| 359 | 2958 | 80 | 3H-NMS | -1 | 11 | Chicken | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | None | ||
| 4634 | 2958 | 80 | 3H-NMS | -1 | 11 | Chicken | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | None | ||
| CHEMBL1231 | 2958 | 80 | 3H-NMS | -1 | 11 | Chicken | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | None | ||
| DB01062 | 2958 | 80 | 3H-NMS | -1 | 11 | Chicken | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | None | ||
| 154825138 | 216012 | 0 | 3H-NMS | -1 | 12 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 345 | 2 | 0 | 3 | 4.4 | CC1CCCC(N1C)C=CC2C3CCCCC3CC4C2C(OC4=O)C | None | ||
| 4601 | 206724 | 35 | 3H-NMS | -9 | 17 | Chicken | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 269 | 6 | 0 | 2 | 3.7 | Cc1ccccc1C(OCCN(C)C)c1ccccc1 | None | ||
| CHEMBL1201023 | 206724 | 35 | 3H-NMS | -9 | 17 | Chicken | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 269 | 6 | 0 | 2 | 3.7 | Cc1ccccc1C(OCCN(C)C)c1ccccc1 | None | ||
| CHEMBL900 | 206724 | 35 | 3H-NMS | -9 | 17 | Chicken | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 269 | 6 | 0 | 2 | 3.7 | Cc1ccccc1C(OCCN(C)C)c1ccccc1 | None | ||
| 7534 | 216347 | 0 | 3H-NMS | -2 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 291 | 3 | 1 | 4 | 2.5 | CC1CC(CC(N1C)(C)C)OC(=O)C(C2=CC=CC=C2)O | None | ||
| 2200 | 3109 | 46 | 3H-cAMP | -7 | 13 | Rat | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 328 | 3109 | 46 | 3H-cAMP | -7 | 13 | Rat | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 4848 | 3109 | 46 | 3H-cAMP | -7 | 13 | Rat | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| CHEMBL9967 | 3109 | 46 | 3H-cAMP | -7 | 13 | Rat | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| DB00670 | 3109 | 46 | 3H-cAMP | -7 | 13 | Rat | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 1613 | 2333 | 53 | 3H-QNB | -43 | 45 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
| 205 | 2333 | 53 | 3H-QNB | -43 | 45 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
| 3964 | 2333 | 53 | 3H-QNB | -43 | 45 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
| CHEMBL831 | 2333 | 53 | 3H-QNB | -43 | 45 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
| DB00408 | 2333 | 53 | 3H-QNB | -43 | 45 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
| 2337 | 3232 | 77 | 3H-NMS | -26 | 63 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| 50 | 3232 | 77 | 3H-NMS | -26 | 63 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| 5002 | 3232 | 77 | 3H-NMS | -26 | 63 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| CHEMBL716 | 3232 | 77 | 3H-NMS | -26 | 63 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| DB01224 | 3232 | 77 | 3H-NMS | -26 | 63 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| 310 | 1909 | 0 | 3H-NMS | -6 | 11 | Chicken | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 331 | 6 | 1 | 2 | 4.0 | O[Si](c1ccccc1)(C1CCCCC1)CCCN1CCCCC1 | None | ||
| 3602 | 1909 | 0 | 3H-NMS | -6 | 11 | Chicken | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 331 | 6 | 1 | 2 | 4.0 | O[Si](c1ccccc1)(C1CCCCC1)CCCN1CCCCC1 | None | ||
| CHEMBL3545990 | 1909 | 0 | 3H-NMS | -6 | 11 | Chicken | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 331 | 6 | 1 | 2 | 4.0 | O[Si](c1ccccc1)(C1CCCCC1)CCCN1CCCCC1 | None | ||
| 2200 | 3109 | 46 | 3H-NMS | -1 | 13 | Chicken | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 328 | 3109 | 46 | 3H-NMS | -1 | 13 | Chicken | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 4848 | 3109 | 46 | 3H-NMS | -1 | 13 | Chicken | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| CHEMBL9967 | 3109 | 46 | 3H-NMS | -1 | 13 | Chicken | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| DB00670 | 3109 | 46 | 3H-NMS | -1 | 13 | Chicken | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 73707487 | 216348 | 0 | 3H-NMS | -1 | 9 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 355 | 3 | 1 | 4 | 2.5 | CN1C2CCC1CC(C2)OC(=O)C(C3=CC=CC=C3)O.Br | None | ||
| 208 | 2843 | 0 | 3H-QNB | -28 | 13 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 295 | 5 | 1 | 2 | 4.2 | NCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | None | ||
| 4541 | 2843 | 0 | 3H-QNB | -28 | 13 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 295 | 5 | 1 | 2 | 4.2 | NCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | None | ||
| CHEMBL1494 | 2843 | 0 | 3H-QNB | -28 | 13 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 295 | 5 | 1 | 2 | 4.2 | NCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | None | ||
| 2745 | 3832 | 42 | 3H-NMS | -5 | 9 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | None | ||
| 5572 | 3832 | 42 | 3H-NMS | -5 | 9 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | None | ||
| 66007 | 3832 | 42 | 3H-NMS | -5 | 9 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | None | ||
| 7315 | 3832 | 42 | 3H-NMS | -5 | 9 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | None | ||
| CHEMBL1490 | 3832 | 42 | 3H-NMS | -5 | 9 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | None | ||
| DB00376 | 3832 | 42 | 3H-NMS | -5 | 9 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | None | ||
| 135398737 | 955 | 93 | 3H-NMS | -7 | 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 | -7 | 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 | -7 | 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 | -7 | 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 | -7 | 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 | -7 | 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 | -7 | 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 | -7 | 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 | -7 | 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 | -7 | 92 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 2200 | 3109 | 46 | 3H-QNB | -2 | 13 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 328 | 3109 | 46 | 3H-QNB | -2 | 13 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 4848 | 3109 | 46 | 3H-QNB | -2 | 13 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| CHEMBL9967 | 3109 | 46 | 3H-QNB | -2 | 13 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| DB00670 | 3109 | 46 | 3H-QNB | -2 | 13 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 135398737 | 955 | 93 | 3H-QNB | -7 | 92 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 38 | 955 | 93 | 3H-QNB | -7 | 92 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 722 | 955 | 93 | 3H-QNB | -7 | 92 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| CHEMBL42 | 955 | 93 | 3H-QNB | -7 | 92 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| DB00363 | 955 | 93 | 3H-QNB | -7 | 92 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 1209 | 1645 | 75 | 3H-QNB | -23 | 32 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | None | ||
| 203 | 1645 | 75 | 3H-QNB | -23 | 32 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | None | ||
| 3386 | 1645 | 75 | 3H-QNB | -23 | 32 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | None | ||
| CHEMBL41 | 1645 | 75 | 3H-QNB | -23 | 32 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | None | ||
| DB00472 | 1645 | 75 | 3H-QNB | -23 | 32 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | None | ||
| 2389 | 3306 | 118 | 3H-QNB | -1445 | 68 | Human | 5.5 | pKi | = | 5.5 | 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 | -1445 | 68 | Human | 5.5 | pKi | = | 5.5 | 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 | -1445 | 68 | Human | 5.5 | pKi | = | 5.5 | 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 | -1445 | 68 | Human | 5.5 | pKi | = | 5.5 | 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 | -1445 | 68 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| None | 216230 | 0 | 3H-NMS | -1 | 5 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 311 | 3 | 1 | 2 | 3.9 | C1CCC(CC1)C(C#CCN2CCCCC2)(C3=CC=CC=C3)O | None | ||
| 130169 | 3578 | 0 | 3H-NMS | -2 | 5 | Human | 8.5 | pKi | = | 8.5 | 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 | -2 | 5 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 333 | 4 | 1 | 2 | 2.1 | C[N+]1(C)CCN(CC1)C[Si](c1ccccc1)(C1CCCCC1)O | None | ||
| 2774 | 3839 | 95 | 3H-QNB | 1 | 10 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | None | ||
| 5593 | 3839 | 95 | 3H-QNB | 1 | 10 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | None | ||
| 7319 | 3839 | 95 | 3H-QNB | 1 | 10 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | None | ||
| CHEMBL1200604 | 3839 | 95 | 3H-QNB | 1 | 10 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | None | ||
| DB00809 | 3839 | 95 | 3H-QNB | 1 | 10 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | None | ||
| DB01199 | 3839 | 95 | 3H-QNB | 1 | 10 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | None | ||
| 71128 | 96781 | 25 | 3H-NMS | -30 | 8 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 325 | 8 | 0 | 3 | 3.9 | CCN(CC)CCOC(=O)C(C)(c1ccccc1)c1ccccc1 | None | ||
| CHEMBL26505 | 96781 | 25 | 3H-NMS | -30 | 8 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 325 | 8 | 0 | 3 | 3.9 | CCN(CC)CCOC(=O)C(C)(c1ccccc1)c1ccccc1 | None | ||
| 1613 | 2333 | 53 | 3H-QNB | -43 | 45 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
| 205 | 2333 | 53 | 3H-QNB | -43 | 45 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
| 3964 | 2333 | 53 | 3H-QNB | -43 | 45 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
| CHEMBL831 | 2333 | 53 | 3H-QNB | -43 | 45 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
| DB00408 | 2333 | 53 | 3H-QNB | -43 | 45 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
| 15897 | 2840 | 0 | 3H-QNB | -173 | 37 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | ||
| 215 | 2840 | 0 | 3H-QNB | -173 | 37 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | ||
| CHEMBL1979333 | 2840 | 0 | 3H-QNB | -173 | 37 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | ||
| 154734599 | 2486 | 12 | 3H-4-DAMP | -2 | 12 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | None | ||
| 154734599 | 2486 | 12 | 3H-NMS | -2 | 12 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | None | ||
| 327 | 2486 | 12 | 3H-4-DAMP | -2 | 12 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | None | ||
| 327 | 2486 | 12 | 3H-NMS | -2 | 12 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | None | ||
| 4108 | 2486 | 12 | 3H-4-DAMP | -2 | 12 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | None | ||
| 4108 | 2486 | 12 | 3H-NMS | -2 | 12 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | None | ||
| CHEMBL27673 | 2486 | 12 | 3H-4-DAMP | -2 | 12 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | None | ||
| CHEMBL27673 | 2486 | 12 | 3H-NMS | -2 | 12 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | None | ||
| None | 216231 | 0 | 3H-4-DAMP | -1 | 5 | Human | 7.5 | pKi | = | 7.5 | 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 | ||
| None | 216231 | 0 | 3H-NMS | -1 | 5 | Human | 7.5 | pKi | = | 7.5 | 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 | ||
| 114743 | 216075 | 0 | 3H-QNB | -1 | 8 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 291 | 1 | 1 | 1 | 4.9 | C1CC(C2=CC=CC=C2C1C3=CC(=C(C=C3)Cl)Cl)N | None | ||
| 135398745 | 2893 | 112 | 3H-NMS | -32 | 66 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| 135398745 | 2893 | 112 | 3H-NMSP | -32 | 66 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| 47 | 2893 | 112 | 3H-NMS | -32 | 66 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| 47 | 2893 | 112 | 3H-NMSP | -32 | 66 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| CHEMBL715 | 2893 | 112 | 3H-NMS | -32 | 66 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| CHEMBL715 | 2893 | 112 | 3H-NMSP | -32 | 66 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| DB00334 | 2893 | 112 | 3H-NMS | -32 | 66 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| DB00334 | 2893 | 112 | 3H-NMSP | -32 | 66 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| 154734599 | 2486 | 12 | 3H-QNB | -2 | 12 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | None | ||
| 327 | 2486 | 12 | 3H-QNB | -2 | 12 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | None | ||
| 4108 | 2486 | 12 | 3H-QNB | -2 | 12 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | None | ||
| CHEMBL27673 | 2486 | 12 | 3H-QNB | -2 | 12 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | None | ||
| 43815 | 186896 | 64 | 3H-QNB | -8 | 25 | Human | 6.5 | pKi | = | 6.5 | 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 | -8 | 25 | Human | 6.5 | pKi | = | 6.5 | 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 | -8 | 25 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 329 | 4 | 1 | 4 | 3.3 | Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1 | None | ||
| 2200 | 3109 | 46 | 3H-NMS | -2 | 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-NMS | -2 | 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-NMS | -2 | 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-NMS | -2 | 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-NMS | -2 | 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 | ||
| 310 | 1909 | 0 | 3H-QNB | -4 | 11 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 331 | 6 | 1 | 2 | 4.0 | O[Si](c1ccccc1)(C1CCCCC1)CCCN1CCCCC1 | None | ||
| 3602 | 1909 | 0 | 3H-QNB | -4 | 11 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 331 | 6 | 1 | 2 | 4.0 | O[Si](c1ccccc1)(C1CCCCC1)CCCN1CCCCC1 | None | ||
| CHEMBL3545990 | 1909 | 0 | 3H-QNB | -4 | 11 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 331 | 6 | 1 | 2 | 4.0 | O[Si](c1ccccc1)(C1CCCCC1)CCCN1CCCCC1 | None | ||
| 2200 | 3109 | 46 | 3H-NMS | -7 | 13 | Rat | 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-NMS | -7 | 13 | Rat | 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-NMS | -7 | 13 | Rat | 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-NMS | -7 | 13 | Rat | 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-NMS | -7 | 13 | Rat | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 3947 | 206372 | 53 | 3H-QNB | -6 | 16 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 418 | 7 | 0 | 3 | 5.8 | CN(CCCN1c2ccccc2CCc2ccccc21)CC(=O)c1ccc(Cl)cc1 | None | ||
| CHEMBL87708 | 206372 | 53 | 3H-QNB | -6 | 16 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 418 | 7 | 0 | 3 | 5.8 | CN(CCCN1c2ccccc2CCc2ccccc21)CC(=O)c1ccc(Cl)cc1 | None | ||
| 135398745 | 2893 | 112 | 35S-GTPGammaS | -32 | 66 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| 47 | 2893 | 112 | 35S-GTPGammaS | -32 | 66 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| CHEMBL715 | 2893 | 112 | 35S-GTPGammaS | -32 | 66 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| DB00334 | 2893 | 112 | 35S-GTPGammaS | -32 | 66 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| 4839 | 216349 | 0 | 3H-NMS | 1 | 5 | Chicken | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 323 | 5 | 0 | 3 | 3.8 | CCN1CCCC(C1)OC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3 | None | ||
| None | 216109 | 0 | 3H-QNB | -3801 | 24 | Human | 5.4 | pKi | = | 5.4 | 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 | ||
| 2200 | 3109 | 46 | 3H-NMS | -2 | 13 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 328 | 3109 | 46 | 3H-NMS | -2 | 13 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 4848 | 3109 | 46 | 3H-NMS | -2 | 13 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| CHEMBL9967 | 3109 | 46 | 3H-NMS | -2 | 13 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| DB00670 | 3109 | 46 | 3H-NMS | -2 | 13 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 154734599 | 2486 | 12 | 3H-NMS | -2 | 12 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | None | ||
| 327 | 2486 | 12 | 3H-NMS | -2 | 12 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | None | ||
| 4108 | 2486 | 12 | 3H-NMS | -2 | 12 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | None | ||
| CHEMBL27673 | 2486 | 12 | 3H-NMS | -2 | 12 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | None | ||
| 2200 | 3109 | 46 | 3H-4-DAMP | -2 | 13 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 328 | 3109 | 46 | 3H-4-DAMP | -2 | 13 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 4848 | 3109 | 46 | 3H-4-DAMP | -2 | 13 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| CHEMBL9967 | 3109 | 46 | 3H-4-DAMP | -2 | 13 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| DB00670 | 3109 | 46 | 3H-4-DAMP | -2 | 13 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 15897 | 2840 | 0 | 3H-QNB | -173 | 37 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | ||
| 215 | 2840 | 0 | 3H-QNB | -173 | 37 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | ||
| CHEMBL1979333 | 2840 | 0 | 3H-QNB | -173 | 37 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | ||
| 2370 | 620 | 31 | None | -1 | 5 | Human | 8.4 | pKi | = | 8.4 | Binding | Drug Central | 161 | 3 | 1 | 2 | 0.2 | CC(C[N+](C)(C)C)OC(=O)N | None | ||
| 297 | 620 | 31 | None | -1 | 5 | Human | 8.4 | pKi | = | 8.4 | Binding | Drug Central | 161 | 3 | 1 | 2 | 0.2 | CC(C[N+](C)(C)C)OC(=O)N | None | ||
| 358 | 620 | 31 | None | -1 | 5 | Human | 8.4 | pKi | = | 8.4 | Binding | Drug Central | 161 | 3 | 1 | 2 | 0.2 | CC(C[N+](C)(C)C)OC(=O)N | None | ||
| CHEMBL1482 | 620 | 31 | None | -1 | 5 | Human | 8.4 | pKi | = | 8.4 | Binding | Drug Central | 161 | 3 | 1 | 2 | 0.2 | CC(C[N+](C)(C)C)OC(=O)N | None | ||
| DB01019 | 620 | 31 | None | -1 | 5 | Human | 8.4 | pKi | = | 8.4 | Binding | Drug Central | 161 | 3 | 1 | 2 | 0.2 | CC(C[N+](C)(C)C)OC(=O)N | None | ||
| 310 | 1909 | 0 | 3H-QNB | -4 | 11 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 331 | 6 | 1 | 2 | 4.0 | O[Si](c1ccccc1)(C1CCCCC1)CCCN1CCCCC1 | None | ||
| 3602 | 1909 | 0 | 3H-QNB | -4 | 11 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 331 | 6 | 1 | 2 | 4.0 | O[Si](c1ccccc1)(C1CCCCC1)CCCN1CCCCC1 | None | ||
| CHEMBL3545990 | 1909 | 0 | 3H-QNB | -4 | 11 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 331 | 6 | 1 | 2 | 4.0 | O[Si](c1ccccc1)(C1CCCCC1)CCCN1CCCCC1 | None | ||
| 71202 | 216346 | 0 | 3H-NMS | -1 | 5 | Chicken | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 340 | 3 | 0 | 3 | 4.9 | CC1(C2=CC=CC=C2N(C3=CC=CC=C31)C(=O)SCCN(C)C)C | None | ||
| 10938 | 1689 | 0 | None | -1 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | Drug Central | 140 | 2 | 0 | 1 | 1.5 | C[N+](Cc1ccco1)(C)C | None | ||
| 299 | 1689 | 0 | None | -1 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | Drug Central | 140 | 2 | 0 | 1 | 1.5 | C[N+](Cc1ccco1)(C)C | None | ||
| 3256 | 1689 | 0 | None | -1 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | Drug Central | 140 | 2 | 0 | 1 | 1.5 | C[N+](Cc1ccco1)(C)C | None | ||
| CHEMBL2110739 | 1689 | 0 | None | -1 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | Drug Central | 140 | 2 | 0 | 1 | 1.5 | C[N+](Cc1ccco1)(C)C | None | ||
| 1734 | 116 | 10 | 3H-QNB | -3 | 13 | Rat | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | None | ||
| 307 | 116 | 10 | 3H-QNB | -3 | 13 | Rat | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | None | ||
| CHEMBL168067 | 116 | 10 | 3H-QNB | -3 | 13 | Rat | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | None | ||
| 2905 | 14466 | 50 | 3H-NMS | -2 | 5 | Chicken | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 291 | 6 | 1 | 4 | 2.2 | CN(C)CCOC(=O)C(c1ccccc1)C1(O)CCCC1 | None | ||
| CHEMBL1201338 | 14466 | 50 | 3H-NMS | -2 | 5 | Chicken | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 291 | 6 | 1 | 4 | 2.2 | CN(C)CCOC(=O)C(c1ccccc1)C1(O)CCCC1 | None | ||
| 1734 | 116 | 10 | 3H-NMS | -8 | 13 | Chicken | 8.3 | pKi | = | 8.3 | 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 | -8 | 13 | Chicken | 8.3 | pKi | = | 8.3 | 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 | -8 | 13 | Chicken | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | None | ||
| 4919 | 206211 | 23 | 3H-NMS | -1 | 9 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 287 | 5 | 1 | 2 | 3.9 | OC(CCN1CCCC1)(c1ccccc1)C1CCCCC1 | None | ||
| CHEMBL86715 | 206211 | 23 | 3H-NMS | -1 | 9 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 287 | 5 | 1 | 2 | 3.9 | OC(CCN1CCCC1)(c1ccccc1)C1CCCCC1 | None | ||
| 2726 | 916 | 68 | 3H-QNB | -25 | 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 | -25 | 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 | -25 | 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 | -25 | 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 | -25 | 73 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 2200 | 3109 | 46 | 3H-NMS | -30 | 13 | Mouse | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 328 | 3109 | 46 | 3H-NMS | -30 | 13 | Mouse | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 4848 | 3109 | 46 | 3H-NMS | -30 | 13 | Mouse | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| CHEMBL9967 | 3109 | 46 | 3H-NMS | -30 | 13 | Mouse | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| DB00670 | 3109 | 46 | 3H-NMS | -30 | 13 | Mouse | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 2774 | 3839 | 95 | 3H-QNB | 1 | 10 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | None | ||
| 5593 | 3839 | 95 | 3H-QNB | 1 | 10 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | None | ||
| 7319 | 3839 | 95 | 3H-QNB | 1 | 10 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | None | ||
| CHEMBL1200604 | 3839 | 95 | 3H-QNB | 1 | 10 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | None | ||
| DB00809 | 3839 | 95 | 3H-QNB | 1 | 10 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | None | ||
| DB01199 | 3839 | 95 | 3H-QNB | 1 | 10 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | None | ||
| 154734599 | 2486 | 12 | 3H-cAMP | -3 | 12 | Rat | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | None | ||
| 327 | 2486 | 12 | 3H-cAMP | -3 | 12 | Rat | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | None | ||
| 4108 | 2486 | 12 | 3H-cAMP | -3 | 12 | Rat | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | None | ||
| CHEMBL27673 | 2486 | 12 | 3H-cAMP | -3 | 12 | Rat | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | None | ||
| 1979 | 77297 | 70 | 3H-cAMP | -13 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 169 | 1 | 0 | 3 | 0.6 | CC(=O)OC1CN2CCC1CC2 | None | ||
| CHEMBL20835 | 77297 | 70 | 3H-cAMP | -13 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 169 | 1 | 0 | 3 | 0.6 | CC(=O)OC1CN2CCC1CC2 | None | ||
| 7534 | 216347 | 0 | 3H-NMS | -4 | 5 | Chicken | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 291 | 3 | 1 | 4 | 2.5 | CC1CC(CC(N1C)(C)C)OC(=O)C(C2=CC=CC=C2)O | None | ||
| 6450478 | 215987 | 0 | 3H-QNB | -10 | 12 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 340 | 0 | 0 | 6 | 3.4 | CN1CCN(CC1)C2=NC3=CSC=C3C(=CC#N)C4=CSC=C42 | None | ||
| 15387 | 45792 | 55 | 3H-QNB | -22 | 24 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 263 | 5 | 0 | 2 | 3.5 | CC1CCN(CCCC(=O)c2ccc(F)cc2)CC1 | None | ||
| CHEMBL1531134 | 45792 | 55 | 3H-QNB | -22 | 24 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 263 | 5 | 0 | 2 | 3.5 | CC1CCN(CCCC(=O)c2ccc(F)cc2)CC1 | None | ||
| 154825138 | 216012 | 0 | 3H-NMS | -3 | 12 | Rat | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 345 | 2 | 0 | 3 | 4.4 | CC1CCCC(N1C)C=CC2C3CCCCC3CC4C2C(OC4=O)C | None | ||
| 2200 | 3109 | 46 | 3H-NMS | -7 | 13 | Rat | 6.3 | pKi | = | 6.3 | 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 | 6.3 | pKi | = | 6.3 | 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 | 6.3 | pKi | = | 6.3 | 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 | 6.3 | pKi | = | 6.3 | 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 | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 310 | 1909 | 0 | 3H-cAMP | -10 | 11 | Rat | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 331 | 6 | 1 | 2 | 4.0 | O[Si](c1ccccc1)(C1CCCCC1)CCCN1CCCCC1 | None | ||
| 3602 | 1909 | 0 | 3H-cAMP | -10 | 11 | Rat | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 331 | 6 | 1 | 2 | 4.0 | O[Si](c1ccccc1)(C1CCCCC1)CCCN1CCCCC1 | None | ||
| CHEMBL3545990 | 1909 | 0 | 3H-cAMP | -10 | 11 | Rat | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 331 | 6 | 1 | 2 | 4.0 | O[Si](c1ccccc1)(C1CCCCC1)CCCN1CCCCC1 | None | ||
| 2200 | 3109 | 46 | 3H-NMS | -7 | 13 | Rat | 6.3 | pKi | = | 6.3 | 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 | 6.3 | pKi | = | 6.3 | 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 | 6.3 | pKi | = | 6.3 | 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 | 6.3 | pKi | = | 6.3 | 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 | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 3012003 | 216119 | 0 | 3H-QNB | -2 | 12 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 311 | 5 | 0 | 3 | 3.8 | CN1CCC(C(C1)COC2=CC=C(C=C2)OC)C3=CC=CC=C3 | None | ||
| 101 | 3793 | 24 | 3H-QNB | -1949 | 14 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 440 | 6 | 0 | 6 | 3.9 | O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
| 55752 | 3793 | 24 | 3H-QNB | -1949 | 14 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 440 | 6 | 0 | 6 | 3.9 | O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
| CHEMBL35057 | 3793 | 24 | 3H-QNB | -1949 | 14 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 440 | 6 | 0 | 6 | 3.9 | O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
| 3294 | 1993 | 111 | None | -301 | 45 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | None | ||
| 71360 | 1993 | 111 | None | -301 | 45 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | None | ||
| 87 | 1993 | 111 | None | -301 | 45 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | None | ||
| CHEMBL14376 | 1993 | 111 | None | -301 | 45 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | None | ||
| DB04946 | 1993 | 111 | None | -301 | 45 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | None | ||
| 71202 | 216346 | 0 | 3H-NMS | -1 | 5 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 340 | 3 | 0 | 3 | 4.9 | CC1(C2=CC=CC=C2N(C3=CC=CC=C31)C(=O)SCCN(C)C)C | None | ||
| 66265 | 93984 | 15 | None | -1 | 19 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 231 | 4 | 1 | 1 | 3.2 | CCN[C@@H](C)Cc1cccc(C(F)(F)F)c1 | None | ||
| CHEMBL248702 | 93984 | 15 | None | -1 | 19 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 231 | 4 | 1 | 1 | 3.2 | CCN[C@@H](C)Cc1cccc(C(F)(F)F)c1 | None | ||
| 1734 | 116 | 10 | 3H-NMS | -3 | 13 | Rat | 8.3 | pKi | = | 8.3 | 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 | -3 | 13 | Rat | 8.3 | pKi | = | 8.3 | 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 | -3 | 13 | Rat | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | None | ||
| 2719 | 914 | 74 | None | -5 | 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 | -5 | 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 | -5 | 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 | -5 | 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 | -5 | 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 | -1 | 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 | -1 | 9 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 335 | 9 | 2 | 4 | 3.8 | CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12 | None | ||
| 3389 | 217683 | 0 | None | -1 | 26 | Human | 8.3 | pKi | = | 8.3 | 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 | ||
| 15387 | 45792 | 55 | None | -22 | 24 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 263 | 5 | 0 | 2 | 3.5 | CC1CCN(CCCC(=O)c2ccc(F)cc2)CC1 | None | ||
| CHEMBL1531134 | 45792 | 55 | None | -22 | 24 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 263 | 5 | 0 | 2 | 3.5 | CC1CCN(CCCC(=O)c2ccc(F)cc2)CC1 | None | ||
| 3042 | 1402 | 35 | 3H-NMS | -3 | 15 | Chicken | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | None | ||
| 355 | 1402 | 35 | 3H-NMS | -3 | 15 | Chicken | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | None | ||
| 868 | 1402 | 35 | 3H-NMS | -3 | 15 | Chicken | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | None | ||
| CHEMBL1123 | 1402 | 35 | 3H-NMS | -3 | 15 | Chicken | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | None | ||
| DB00804 | 1402 | 35 | 3H-NMS | -3 | 15 | Chicken | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | None | ||
| 71128 | 96781 | 25 | 3H-NMS | -6 | 8 | Chicken | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 325 | 8 | 0 | 3 | 3.9 | CCN(CC)CCOC(=O)C(C)(c1ccccc1)c1ccccc1 | None | ||
| CHEMBL26505 | 96781 | 25 | 3H-NMS | -6 | 8 | Chicken | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 325 | 8 | 0 | 3 | 3.9 | CCN(CC)CCOC(=O)C(C)(c1ccccc1)c1ccccc1 | None | ||
| 1209 | 1645 | 75 | None | -23 | 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 | -23 | 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 | -23 | 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 | -23 | 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 | -23 | 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 | ||
| 2389 | 3306 | 118 | None | -1445 | 68 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| 5073 | 3306 | 118 | None | -1445 | 68 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| 96 | 3306 | 118 | None | -1445 | 68 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| CHEMBL85 | 3306 | 118 | None | -1445 | 68 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| DB00734 | 3306 | 118 | None | -1445 | 68 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| 5831 | 215938 | 0 | None | -1 | 12 | Rat | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 182 | 3 | 1 | 2 | -3.2 | C[N+](C)(C)CCOC(=O)N.[Cl-] | None | ||
| 187 | 255 | 39 | None | -6 | 9 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | None | ||
| 294 | 255 | 39 | None | -6 | 9 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | None | ||
| 65 | 255 | 39 | None | -6 | 9 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | None | ||
| 8593 | 255 | 39 | None | -6 | 9 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | None | ||
| CHEMBL667 | 255 | 39 | None | -6 | 9 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | None | ||
| DB03128 | 255 | 39 | None | -6 | 9 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | None | ||
| 21158560 | 112766 | 7 | None | -1 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 666 | 6 | 2 | 4 | 5.5 | C=CC[N@@+]12CC[C@@]34c5ccccc5N5/C=C6/[C@H]7C[C@H]8[C@@]9(CC[N@@+]8(CC=C)C/C7=C/CO)c7ccccc7N(/C=C(/[C@@H](C[C@@H]31)/C(=C\CO)C2)[C@H]54)[C@@H]69 | None | ||
| CHEMBL3305985 | 112766 | 7 | None | -1 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 666 | 6 | 2 | 4 | 5.5 | C=CC[N@@+]12CC[C@@]34c5ccccc5N5/C=C6/[C@H]7C[C@H]8[C@@]9(CC[N@@+]8(CC=C)C/C7=C/CO)c7ccccc7N(/C=C(/[C@@H](C[C@@H]31)/C(=C\CO)C2)[C@H]54)[C@@H]69 | None | ||
| 1734 | 116 | 10 | 3H-NMS | -10 | 13 | Mouse | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | None | ||
| 1734 | 116 | 10 | 3H-NMS | -3 | 13 | Rat | 8.3 | pKi | = | 8.3 | 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 | -10 | 13 | Mouse | 8.3 | pKi | = | 8.3 | 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 | -3 | 13 | Rat | 8.3 | pKi | = | 8.3 | 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 | -10 | 13 | Mouse | 8.3 | pKi | = | 8.3 | 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 | -3 | 13 | Rat | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | None | ||
| 441383 | 20301 | 57 | None | -5 | 17 | Human | 8.2 | pKi | = | 8.2 | 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 | -5 | 17 | Human | 8.2 | pKi | = | 8.2 | 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 | ||
| 2448 | 99295 | 70 | None | -70 | 18 | Human | 8.2 | pKi | = | 8.2 | 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 | -70 | 18 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 419 | 6 | 1 | 3 | 4.5 | O=C(CCCN1CCC(O)(c2ccc(Br)cc2)CC1)c1ccc(F)cc1 | None | ||
| 107782 | 14436 | 18 | None | -1 | 5 | Human | 8.2 | pKi | = | 8.2 | 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 | -1 | 5 | Human | 8.2 | pKi | = | 8.2 | 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 | -1 | 5 | Human | 8.2 | pKi | = | 8.2 | 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 | ||
| 2812 | 4747 | 101 | None | -19 | 34 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 344 | 4 | 0 | 2 | 5.4 | Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 | None | ||
| CHEMBL104 | 4747 | 101 | None | -19 | 34 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 344 | 4 | 0 | 2 | 5.4 | Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 | None | ||
| 1726 | 2480 | 13 | None | -32 | 5 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 160 | 3 | 0 | 2 | 0.6 | CC(C[N+](C)(C)C)OC(=O)C | None | ||
| 1993 | 2480 | 13 | None | -32 | 5 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 160 | 3 | 0 | 2 | 0.6 | CC(C[N+](C)(C)C)OC(=O)C | None | ||
| 7438 | 2480 | 13 | None | -32 | 5 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 160 | 3 | 0 | 2 | 0.6 | CC(C[N+](C)(C)C)OC(=O)C | None | ||
| CHEMBL978 | 2480 | 13 | None | -32 | 5 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 160 | 3 | 0 | 2 | 0.6 | CC(C[N+](C)(C)C)OC(=O)C | None | ||
| DB06709 | 2480 | 13 | None | -32 | 5 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 160 | 3 | 0 | 2 | 0.6 | CC(C[N+](C)(C)C)OC(=O)C | None | ||
| 1726 | 2480 | 13 | None | -12 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 160 | 3 | 0 | 2 | 0.6 | CC(C[N+](C)(C)C)OC(=O)C | None | ||
| 1993 | 2480 | 13 | None | -12 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 160 | 3 | 0 | 2 | 0.6 | CC(C[N+](C)(C)C)OC(=O)C | None | ||
| 7438 | 2480 | 13 | None | -12 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 160 | 3 | 0 | 2 | 0.6 | CC(C[N+](C)(C)C)OC(=O)C | None | ||
| CHEMBL978 | 2480 | 13 | None | -12 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 160 | 3 | 0 | 2 | 0.6 | CC(C[N+](C)(C)C)OC(=O)C | None | ||
| DB06709 | 2480 | 13 | None | -12 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 160 | 3 | 0 | 2 | 0.6 | CC(C[N+](C)(C)C)OC(=O)C | None | ||
| 212 | 3777 | 47 | None | -5 | 25 | Human | 8.2 | pKi | = | 8.2 | 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 | 8.2 | pKi | = | 8.2 | 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 | 8.2 | pKi | = | 8.2 | 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 | 8.2 | pKi | = | 8.2 | 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 | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 443 | 5 | 0 | 5 | 3.5 | CN1CCN(CC1)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)S(=O)(=O)N(C)C | None | ||
| 242 | 469 | 124 | None | -67 | 52 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
| 34 | 469 | 124 | None | -67 | 52 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
| 60795 | 469 | 124 | None | -67 | 52 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
| CHEMBL1112 | 469 | 124 | None | -67 | 52 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
| DB01238 | 469 | 124 | None | -67 | 52 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
| 68617 | 205504 | 62 | None | -20 | 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 | -20 | 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 | -20 | 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 | ||
| 2200 | 3109 | 46 | 3H-NMS | -2 | 13 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 328 | 3109 | 46 | 3H-NMS | -2 | 13 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 4848 | 3109 | 46 | 3H-NMS | -2 | 13 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| CHEMBL9967 | 3109 | 46 | 3H-NMS | -2 | 13 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| DB00670 | 3109 | 46 | 3H-NMS | -2 | 13 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 154825138 | 216012 | 0 | 3H-NMS | -3 | 12 | Rat | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 345 | 2 | 0 | 3 | 4.4 | CC1CCCC(N1C)C=CC2C3CCCCC3CC4C2C(OC4=O)C | None | ||
| 2200 | 3109 | 46 | 3H-QNB | -7 | 13 | Rat | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 328 | 3109 | 46 | 3H-QNB | -7 | 13 | Rat | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 4848 | 3109 | 46 | 3H-QNB | -7 | 13 | Rat | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| CHEMBL9967 | 3109 | 46 | 3H-QNB | -7 | 13 | Rat | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| DB00670 | 3109 | 46 | 3H-QNB | -7 | 13 | Rat | 7.3 | pKi | = | 7.3 | 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 | 7.3 | pKi | = | 7.3 | 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 | 7.3 | pKi | = | 7.3 | 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 | 7.3 | pKi | = | 7.3 | 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 | 7.3 | pKi | = | 7.3 | 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 | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 1212 | 1649 | 50 | 3H-QNB | -501 | 66 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
| 204 | 1649 | 50 | 3H-QNB | -501 | 66 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
| 3372 | 1649 | 50 | 3H-QNB | -501 | 66 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
| CHEMBL726 | 1649 | 50 | 3H-QNB | -501 | 66 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
| DB00623 | 1649 | 50 | 3H-QNB | -501 | 66 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
| 2200 | 3109 | 46 | 3H-QNB | -2 | 13 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 328 | 3109 | 46 | 3H-QNB | -2 | 13 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 4848 | 3109 | 46 | 3H-QNB | -2 | 13 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| CHEMBL9967 | 3109 | 46 | 3H-QNB | -2 | 13 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| DB00670 | 3109 | 46 | 3H-QNB | -2 | 13 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 187 | 255 | 39 | 3H-NMS | -6 | 9 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | None | ||
| 294 | 255 | 39 | 3H-NMS | -6 | 9 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | None | ||
| 65 | 255 | 39 | 3H-NMS | -6 | 9 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | None | ||
| 8593 | 255 | 39 | 3H-NMS | -6 | 9 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | None | ||
| CHEMBL667 | 255 | 39 | 3H-NMS | -6 | 9 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | None | ||
| DB03128 | 255 | 39 | 3H-NMS | -6 | 9 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | None | ||
| None | 216213 | 0 | 3H-QNB | -70794 | 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 | ||
| 2337 | 3232 | 77 | 3H-QNB | -26 | 63 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| 50 | 3232 | 77 | 3H-QNB | -26 | 63 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| 5002 | 3232 | 77 | 3H-QNB | -26 | 63 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| CHEMBL716 | 3232 | 77 | 3H-QNB | -26 | 63 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| DB01224 | 3232 | 77 | 3H-QNB | -26 | 63 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| 135398737 | 955 | 93 | 3H-NMS | -7 | 92 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 135398737 | 955 | 93 | 3H-QNB | -7 | 92 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 38 | 955 | 93 | 3H-NMS | -7 | 92 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 38 | 955 | 93 | 3H-QNB | -7 | 92 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 722 | 955 | 93 | 3H-NMS | -7 | 92 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 722 | 955 | 93 | 3H-QNB | -7 | 92 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| CHEMBL42 | 955 | 93 | 3H-NMS | -7 | 92 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| CHEMBL42 | 955 | 93 | 3H-QNB | -7 | 92 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| DB00363 | 955 | 93 | 3H-NMS | -7 | 92 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| DB00363 | 955 | 93 | 3H-QNB | -7 | 92 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 154825138 | 216012 | 0 | 3H-QNB | -3 | 12 | Rat | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 345 | 2 | 0 | 3 | 4.4 | CC1CCCC(N1C)C=CC2C3CCCCC3CC4C2C(OC4=O)C | None | ||
| 4919 | 206211 | 23 | 3H-NMS | -1 | 9 | Chicken | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 287 | 5 | 1 | 2 | 3.9 | OC(CCN1CCCC1)(c1ccccc1)C1CCCCC1 | None | ||
| CHEMBL86715 | 206211 | 23 | 3H-NMS | -1 | 9 | Chicken | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 287 | 5 | 1 | 2 | 3.9 | OC(CCN1CCCC1)(c1ccccc1)C1CCCCC1 | None | ||
| 1613 | 2333 | 53 | None | -43 | 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 | -43 | 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 | -43 | 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 | -43 | 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 | -43 | 45 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | 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 | ||
| 1016 | 3720 | 78 | None | -12 | 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 | -12 | 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 | -12 | 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 | -12 | 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 | -12 | 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 | -12 | 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 | ||
| 154825138 | 216012 | 0 | 3H-NMS | -1 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 345 | 2 | 0 | 3 | 4.4 | CC1CCCC(N1C)C=CC2C3CCCCC3CC4C2C(OC4=O)C | 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 | ||
| 657255 | 199061 | 34 | None | -9 | 15 | Human | 8.2 | pKi | = | 8.2 | 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 | -9 | 15 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 337 | 12 | 2 | 3 | 5.6 | CCCCCCCCN[C@H](C)[C@@H](O)c1ccc(SC(C)C)cc1 | None | ||
| 103 | 4122 | 61 | None | -190 | 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 | -190 | 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 | -190 | 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 | -190 | 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 | -190 | 54 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | 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 | -89 | 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 | -89 | 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 | ||
| 2337 | 3232 | 77 | None | -26 | 63 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| 50 | 3232 | 77 | None | -26 | 63 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| 5002 | 3232 | 77 | None | -26 | 63 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| CHEMBL716 | 3232 | 77 | None | -26 | 63 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| DB01224 | 3232 | 77 | None | -26 | 63 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | 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 | ||
| 176 | 397 | 66 | None | -1 | 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 | -1 | 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 | -1 | 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 | -1 | 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 | -1 | 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 | ||
| 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 | ||
| 154825138 | 216012 | 0 | 3H-NMS | 1 | 12 | Chicken | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 345 | 2 | 0 | 3 | 4.4 | CC1CCCC(N1C)C=CC2C3CCCCC3CC4C2C(OC4=O)C | None | ||
| 1212 | 1649 | 50 | None | -501 | 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 | -501 | 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 | -501 | 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 | -501 | 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 | -501 | 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 | ||
| 124 | 2960 | 47 | None | -77 | 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 | -77 | 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 | -77 | 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 | -77 | 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 | -77 | 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 | ||
| 4189 | 206899 | 96 | None | -10 | 34 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | None | ||
| CHEMBL1559 | 206899 | 96 | None | -10 | 34 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | None | ||
| CHEMBL91 | 206899 | 96 | None | -10 | 34 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | None | ||
| 21855 | 84217 | 42 | None | -20 | 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 | -20 | 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 | ||
| 132947 | 3835 | 9 | 3H-NMS | -22 | 9 | Human | 8.2 | pKi | = | 8.2 | 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 | -22 | 9 | Human | 8.2 | pKi | = | 8.2 | 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 | -22 | 9 | Human | 8.2 | pKi | = | 8.2 | 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 | ||
| 129989 | 450 | 51 | 3H-NMS | -1 | 9 | Human | 8.2 | pKi | = | 8.2 | 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 | -1 | 9 | Human | 8.2 | pKi | = | 8.2 | 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 | -1 | 9 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 463 | 9 | 1 | 5 | 4.5 | CCN(CCCCC1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | None | ||
| 3947 | 206372 | 53 | None | -6 | 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 | -6 | 16 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 418 | 7 | 0 | 3 | 5.8 | CN(CCCN1c2ccccc2CCc2ccccc21)CC(=O)c1ccc(Cl)cc1 | None | ||
| 2200 | 3109 | 46 | None | -7 | 13 | Rat | 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 | -7 | 13 | Rat | 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 | -7 | 13 | Rat | 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 | -7 | 13 | Rat | 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 | -7 | 13 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 3198 | 205490 | 76 | None | -8 | 34 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | None | ||
| CHEMBL1201049 | 205490 | 76 | None | -8 | 34 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | None | ||
| CHEMBL808 | 205490 | 76 | None | -8 | 34 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | None | ||
| 135 | 2515 | 43 | None | -22 | 58 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
| 1796 | 2515 | 43 | None | -22 | 58 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
| 4184 | 2515 | 43 | None | -22 | 58 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
| CHEMBL6437 | 2515 | 43 | None | -22 | 58 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
| DB06148 | 2515 | 43 | None | -22 | 58 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
| 1210 | 915 | 51 | None | -57 | 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 | -57 | 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 | -57 | 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 | -57 | 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 | -57 | 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 | -57 | 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 | -57 | 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 | -57 | 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 | -57 | 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 | -57 | 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 | -57 | 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 | -57 | 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 | -57 | 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 | -57 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
| 237 | 204842 | 48 | None | -1 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | None | ||
| CHEMBL546257 | 204842 | 48 | None | -1 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | None | ||
| CHEMBL554190 | 204842 | 48 | None | -1 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | None | ||
| CHEMBL7568 | 204842 | 48 | None | -1 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | None | ||
| 2247 | 504 | 81 | None | -23 | 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 | -23 | 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 | -23 | 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 | -23 | 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 | -23 | 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 | ||
| 191 | 402 | 98 | None | -29 | 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 | -29 | 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 | -29 | 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 | -29 | 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 | -29 | 29 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | 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 | ||
| 60838 | 183850 | 99 | None | 1 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 586 | 4 | 1 | 9 | 4.1 | CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC | None | ||
| CHEMBL481 | 183850 | 99 | None | 1 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 586 | 4 | 1 | 9 | 4.1 | CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC | None | ||
| 4735 | 195092 | 96 | None | -6 | 10 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 340 | 10 | 4 | 4 | 2.9 | N=C(N)c1ccc(OCCCCCOc2ccc(C(=N)N)cc2)cc1 | None | ||
| CHEMBL361506 | 195092 | 96 | None | -6 | 10 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 340 | 10 | 4 | 4 | 2.9 | N=C(N)c1ccc(OCCCCCOc2ccc(C(=N)N)cc2)cc1 | None | ||
| CHEMBL55 | 195092 | 96 | None | -6 | 10 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 340 | 10 | 4 | 4 | 2.9 | N=C(N)c1ccc(OCCCCCOc2ccc(C(=N)N)cc2)cc1 | None | ||
| 2274 | 3151 | 58 | None | -16 | 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 | -16 | 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 | -16 | 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 | -16 | 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 | -16 | 32 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | None | ||
| 154059 | 3610 | 51 | None | -5 | 8 | Human | 8.2 | pKi | = | 8.2 | 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 | -5 | 8 | Human | 8.2 | pKi | = | 8.2 | 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 | -5 | 8 | Human | 8.2 | pKi | = | 8.2 | 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 | -5 | 8 | Human | 8.2 | pKi | = | 8.2 | 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 | -5 | 8 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 362 | 2 | 0 | 3 | 3.9 | O=C(N1CCc2c([C@@H]1c1ccccc1)cccc2)O[C@H]1CN2CCC1CC2 | 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 | ||
| 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 | ||
| 6726 | 1269 | 51 | None | -5 | 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 | -5 | 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 | -5 | 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 | -5 | 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 | -5 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | None | ||
| 3191 | 102831 | 97 | None | -5 | 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 | -5 | 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 | ||
| 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 | ||
| 1224 | 1420 | 83 | None | -3 | 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 | -3 | 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 | -3 | 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 | -3 | 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 | -3 | 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 | -3 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | 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 | ||
| 2230 | 464 | 60 | 3H-QNB | -218 | 10 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | None | ||
| 296 | 464 | 60 | 3H-QNB | -218 | 10 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | None | ||
| CHEMBL7303 | 464 | 60 | 3H-QNB | -218 | 10 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | None | ||
| DB04365 | 464 | 60 | 3H-QNB | -218 | 10 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | None | ||
| 154825138 | 216012 | 0 | 3H-NMS | -9 | 12 | Mouse | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 345 | 2 | 0 | 3 | 4.4 | CC1CCCC(N1C)C=CC2C3CCCCC3CC4C2C(OC4=O)C | None | ||
| 20980871 | 216403 | 0 | 3H-QNB | -15 | 8 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 295 | 3 | 0 | 2 | 4.7 | CN(C)CCC=C1C2=CC=CC=C2CSC3=CC=CC=C31 | None | ||
| 2200 | 3109 | 46 | 3H-NMS | -2 | 13 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 328 | 3109 | 46 | 3H-NMS | -2 | 13 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 4848 | 3109 | 46 | 3H-NMS | -2 | 13 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| CHEMBL9967 | 3109 | 46 | 3H-NMS | -2 | 13 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| DB00670 | 3109 | 46 | 3H-NMS | -2 | 13 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 4839 | 216349 | 0 | 3H-NMS | -1 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 323 | 5 | 0 | 3 | 3.8 | CCN1CCCC(C1)OC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3 | None | ||
| 154734599 | 2486 | 12 | 3H-QNB | -2 | 12 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | None | ||
| 327 | 2486 | 12 | 3H-QNB | -2 | 12 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | None | ||
| 4108 | 2486 | 12 | 3H-QNB | -2 | 12 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | None | ||
| CHEMBL27673 | 2486 | 12 | 3H-QNB | -2 | 12 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | None | ||
| 2337 | 3232 | 77 | 3H-QNB | -26 | 63 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| 2337 | 3232 | 77 | 3H-NMS | -74 | 63 | Rat | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| 50 | 3232 | 77 | 3H-QNB | -26 | 63 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| 50 | 3232 | 77 | 3H-NMS | -74 | 63 | Rat | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| 5002 | 3232 | 77 | 3H-QNB | -26 | 63 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| 5002 | 3232 | 77 | 3H-NMS | -74 | 63 | Rat | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| CHEMBL716 | 3232 | 77 | 3H-QNB | -26 | 63 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| CHEMBL716 | 3232 | 77 | 3H-NMS | -74 | 63 | Rat | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| DB01224 | 3232 | 77 | 3H-QNB | -26 | 63 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| DB01224 | 3232 | 77 | 3H-NMS | -74 | 63 | Rat | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| 5387 | 94850 | 31 | 3H-QNB | -22 | 6 | Rat | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 370 | 2 | 1 | 5 | 2.5 | Cc1scc2c1N(C(=O)CN1CCN(C)CC1)c1ccccc1NC2=O | None | ||
| CHEMBL253978 | 94850 | 31 | 3H-QNB | -22 | 6 | Rat | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 370 | 2 | 1 | 5 | 2.5 | Cc1scc2c1N(C(=O)CN1CCN(C)CC1)c1ccccc1NC2=O | None | ||
| 2774 | 3839 | 95 | 3H-NMS | -5 | 10 | Chicken | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | None | ||
| 5593 | 3839 | 95 | 3H-NMS | -5 | 10 | Chicken | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | None | ||
| 7319 | 3839 | 95 | 3H-NMS | -5 | 10 | Chicken | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | None | ||
| CHEMBL1200604 | 3839 | 95 | 3H-NMS | -5 | 10 | Chicken | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | None | ||
| DB00809 | 3839 | 95 | 3H-NMS | -5 | 10 | Chicken | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | None | ||
| DB01199 | 3839 | 95 | 3H-NMS | -5 | 10 | Chicken | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | None | ||
| 3337 | 206344 | 27 | 3H-QNB | -190 | 41 | Human | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | ||
| 65801 | 206344 | 27 | 3H-QNB | -190 | 41 | Human | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | ||
| 66264 | 206344 | 27 | 3H-QNB | -190 | 41 | Human | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | ||
| 91452 | 206344 | 27 | 3H-QNB | -190 | 41 | Human | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | ||
| CHEMBL87493 | 206344 | 27 | 3H-QNB | -190 | 41 | Human | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | ||
| 4919 | 206211 | 23 | 3H-QNB | -1 | 9 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 287 | 5 | 1 | 2 | 3.9 | OC(CCN1CCCC1)(c1ccccc1)C1CCCCC1 | None | ||
| CHEMBL86715 | 206211 | 23 | 3H-QNB | -1 | 9 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 287 | 5 | 1 | 2 | 3.9 | OC(CCN1CCCC1)(c1ccccc1)C1CCCCC1 | None | ||
| 4212 | 198656 | 82 | None | -1 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 444 | 12 | 8 | 10 | -0.1 | O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21 | None | ||
| CHEMBL1417019 | 198656 | 82 | None | -1 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 444 | 12 | 8 | 10 | -0.1 | O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21 | None | ||
| CHEMBL58 | 198656 | 82 | None | -1 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 444 | 12 | 8 | 10 | -0.1 | O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21 | None | ||
| 1530 | 2169 | 50 | None | -32 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | None | ||
| 3827 | 2169 | 50 | None | -32 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | None | ||
| 7206 | 2169 | 50 | None | -32 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | None | ||
| CHEMBL534 | 2169 | 50 | None | -32 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | None | ||
| DB00920 | 2169 | 50 | None | -32 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | None | ||
| 1971 | 2846 | 38 | None | -3 | 30 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | None | ||
| 2404 | 2846 | 38 | None | -3 | 30 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | None | ||
| 4543 | 2846 | 38 | None | -3 | 30 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | None | ||
| CHEMBL445 | 2846 | 38 | None | -3 | 30 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | None | ||
| DB00540 | 2846 | 38 | None | -3 | 30 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | None | ||
| 1225 | 1459 | 26 | None | -85 | 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 | -85 | 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 | -85 | 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 | -85 | 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 | -85 | 22 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 279 | 3 | 0 | 2 | 4.0 | CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C | None | ||
| 2200 | 3109 | 46 | None | -2 | 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 | -2 | 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 | -2 | 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 | -2 | 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 | -2 | 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 | ||
| 3652 | 4066 | 79 | None | -3 | 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 | -3 | 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 | -3 | 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 | -3 | 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 | -3 | 18 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | None | ||
| 180 | 400 | 56 | 3H-QNB | -6 | 40 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | None | ||
| 200 | 400 | 56 | 3H-QNB | -6 | 40 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | None | ||
| 2160 | 400 | 56 | 3H-QNB | -6 | 40 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | None | ||
| CHEMBL629 | 400 | 56 | 3H-QNB | -6 | 40 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | None | ||
| DB00321 | 400 | 56 | 3H-QNB | -6 | 40 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | None | ||
| 5284550 | 41691 | 15 | None | -1 | 9 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 295 | 3 | 0 | 2 | 4.7 | CN(C)CC/C=C1\c2ccccc2CSc2ccccc21 | None | ||
| CHEMBL1492500 | 41691 | 15 | None | -1 | 9 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 295 | 3 | 0 | 2 | 4.7 | CN(C)CC/C=C1\c2ccccc2CSc2ccccc21 | None | ||
| 4011 | 82379 | 49 | None | -11 | 24 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 277 | 4 | 1 | 1 | 4.2 | CNCCCC12CCC(c3ccccc31)c1ccccc12 | None | ||
| CHEMBL21731 | 82379 | 49 | None | -11 | 24 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 277 | 4 | 1 | 1 | 4.2 | CNCCCC12CCC(c3ccccc31)c1ccccc12 | 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 | -25 | 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 | -25 | 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 | -25 | 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 | -25 | 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 | -25 | 73 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 3055 | 1421 | 44 | None | -1 | 9 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 309 | 6 | 1 | 2 | 4.2 | OC(c1ccccc1)(c1ccccc1)CCCN1CCCCC1 | None | ||
| 313 | 1421 | 44 | None | -1 | 9 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 309 | 6 | 1 | 2 | 4.2 | OC(c1ccccc1)(c1ccccc1)CCCN1CCCCC1 | None | ||
| 7163 | 1421 | 44 | None | -1 | 9 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 309 | 6 | 1 | 2 | 4.2 | OC(c1ccccc1)(c1ccccc1)CCCN1CCCCC1 | None | ||
| CHEMBL936 | 1421 | 44 | None | -1 | 9 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 309 | 6 | 1 | 2 | 4.2 | OC(c1ccccc1)(c1ccccc1)CCCN1CCCCC1 | None | ||
| DB01231 | 1421 | 44 | None | -1 | 9 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 309 | 6 | 1 | 2 | 4.2 | OC(c1ccccc1)(c1ccccc1)CCCN1CCCCC1 | None | ||
| 2335 | 11816 | 22 | None | 1 | 12 | Human | 8.1 | pKi | = | 8.1 | 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 | 8.1 | pKi | = | 8.1 | 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 | 8.1 | pKi | = | 8.1 | 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 | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | None | ||
| 43815 | 186896 | 64 | None | -8 | 25 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 329 | 4 | 1 | 4 | 3.3 | Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1 | None | ||
| CHEMBL1708 | 186896 | 64 | None | -8 | 25 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 329 | 4 | 1 | 4 | 3.3 | Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1 | None | ||
| CHEMBL490 | 186896 | 64 | None | -8 | 25 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 329 | 4 | 1 | 4 | 3.3 | Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1 | None | ||
| 5831 | 215938 | 0 | 3H-QNB | -25 | 12 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 182 | 3 | 1 | 2 | -3.2 | C[N+](C)(C)CCOC(=O)N.[Cl-] | None | ||
| 135398745 | 2893 | 112 | None | -32 | 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 | -32 | 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 | -32 | 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 | -32 | 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 | ||
| 124087 | 1377 | 114 | None | -7 | 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 | -7 | 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 | -7 | 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 | -7 | 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 | -7 | 15 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | 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 | ||
| 1712 | 2475 | 43 | None | -3 | 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 | -3 | 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 | -3 | 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 | -3 | 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 | -3 | 22 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 386 | 4 | 0 | 4 | 4.9 | CN1CCCCC1CCN1c2ccccc2Sc2c1cc(cc2)S(=O)C | 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 | ||
| 42470 | 216157 | 0 | 3H-cAMP | -21 | 6 | Rat | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 345 | 10 | 0 | 3 | 4.9 | CCN(CCCC(=O)C1CCCCC1)C(C)CC2=CC=C(C=C2)OC | 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 | -1 | 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 | -1 | 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 | -1 | 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 | -1 | 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 | -1 | 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 | -3 | 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 | -3 | 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 | -3 | 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 | -3 | 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 | -3 | 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 | ||
| 3337 | 206344 | 27 | 3H-QNB | -190 | 41 | Human | 5.1 | pKi | = | 5.1 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | ||
| 65801 | 206344 | 27 | 3H-QNB | -190 | 41 | Human | 5.1 | pKi | = | 5.1 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | ||
| 66264 | 206344 | 27 | 3H-QNB | -190 | 41 | Human | 5.1 | pKi | = | 5.1 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | ||
| 91452 | 206344 | 27 | 3H-QNB | -190 | 41 | Human | 5.1 | pKi | = | 5.1 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | ||
| CHEMBL87493 | 206344 | 27 | 3H-QNB | -190 | 41 | Human | 5.1 | pKi | = | 5.1 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | ||
| 154734599 | 2486 | 12 | 3H-QNB | -2 | 12 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | None | ||
| 327 | 2486 | 12 | 3H-QNB | -2 | 12 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | None | ||
| 4108 | 2486 | 12 | 3H-QNB | -2 | 12 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | None | ||
| CHEMBL27673 | 2486 | 12 | 3H-QNB | -2 | 12 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | None | ||
| 73707487 | 216348 | 0 | 3H-NMS | -10 | 9 | Chicken | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 355 | 3 | 1 | 4 | 2.5 | CN1C2CCC1CC(C2)OC(=O)C(C3=CC=CC=C3)O.Br | None | ||
| 2337 | 3232 | 77 | 3H-QNB | -26 | 63 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| 50 | 3232 | 77 | 3H-QNB | -26 | 63 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| 5002 | 3232 | 77 | 3H-QNB | -26 | 63 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| CHEMBL716 | 3232 | 77 | 3H-QNB | -26 | 63 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| DB01224 | 3232 | 77 | 3H-QNB | -26 | 63 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| 103 | 4122 | 61 | 3H-QNB | -190 | 54 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 2875 | 4122 | 61 | 3H-QNB | -190 | 54 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 5736 | 4122 | 61 | 3H-QNB | -190 | 54 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| CHEMBL285802 | 4122 | 61 | 3H-QNB | -190 | 54 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| DB09225 | 4122 | 61 | 3H-QNB | -190 | 54 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 310 | 1909 | 0 | 3H-QNB | -10 | 11 | Rat | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 331 | 6 | 1 | 2 | 4.0 | O[Si](c1ccccc1)(C1CCCCC1)CCCN1CCCCC1 | None | ||
| 3602 | 1909 | 0 | 3H-QNB | -10 | 11 | Rat | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 331 | 6 | 1 | 2 | 4.0 | O[Si](c1ccccc1)(C1CCCCC1)CCCN1CCCCC1 | None | ||
| CHEMBL3545990 | 1909 | 0 | 3H-QNB | -10 | 11 | Rat | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 331 | 6 | 1 | 2 | 4.0 | O[Si](c1ccccc1)(C1CCCCC1)CCCN1CCCCC1 | None | ||
| 277 | 1289 | 62 | 3H-QNB | -6 | 46 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | ||
| 2913 | 1289 | 62 | 3H-QNB | -6 | 46 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | ||
| 765 | 1289 | 62 | 3H-QNB | -6 | 46 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | ||
| CHEMBL516 | 1289 | 62 | 3H-QNB | -6 | 46 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | ||
| DB00434 | 1289 | 62 | 3H-QNB | -6 | 46 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | ||
| 100 | 3776 | 58 | None | -14 | 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 | -14 | 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 | -14 | 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 | -14 | 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 | -14 | 56 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
| 319 | 1312 | 44 | None | -9 | 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 | -9 | 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 | -9 | 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 | -9 | 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 | -9 | 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 | -9 | 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 | ||
| 154734599 | 2486 | 12 | 3H-NMS | -2 | 12 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | None | ||
| 327 | 2486 | 12 | 3H-NMS | -2 | 12 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | None | ||
| 4108 | 2486 | 12 | 3H-NMS | -2 | 12 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | None | ||
| CHEMBL27673 | 2486 | 12 | 3H-NMS | -2 | 12 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | None | ||
| 180 | 400 | 56 | None | -6 | 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 | -6 | 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 | -6 | 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 | -6 | 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 | -6 | 40 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | None | ||
| 4919 | 206211 | 23 | None | -1 | 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 | -1 | 9 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 287 | 5 | 1 | 2 | 3.9 | OC(CCN1CCCC1)(c1ccccc1)C1CCCCC1 | 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 | ||
| 2774 | 3839 | 95 | 3H-NMS | 1 | 10 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | None | ||
| 5593 | 3839 | 95 | 3H-NMS | 1 | 10 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | None | ||
| 7319 | 3839 | 95 | 3H-NMS | 1 | 10 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | None | ||
| CHEMBL1200604 | 3839 | 95 | 3H-NMS | 1 | 10 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | None | ||
| DB00809 | 3839 | 95 | 3H-NMS | 1 | 10 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | None | ||
| DB01199 | 3839 | 95 | 3H-NMS | 1 | 10 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | None | ||
| 5648 | 78382 | 9 | None | -1 | 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 | -1 | 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 | -1 | 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 | ||
| 2028 | 2958 | 80 | None | -1 | 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 | -1 | 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 | -1 | 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 | -1 | 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 | -1 | 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 | ||
| 2774 | 3839 | 95 | None | 1 | 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 | 1 | 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 | 1 | 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 | 1 | 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 | 1 | 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 | 1 | 10 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | 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 | ||
| 26987 | 946 | 33 | None | -38 | 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 | -38 | 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 | -38 | 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 | -38 | 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 | -38 | 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 | ||
| 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 | ||
| None | 216202 | 0 | 3H-NMS | -10 | 6 | Human | 8.1 | pKi | = | 8.1 | 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 | ||
| 277 | 1289 | 62 | None | -6 | 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 | -6 | 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 | -6 | 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 | -6 | 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 | -6 | 46 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | ||
| 1201549 | 594 | 24 | None | -1 | 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 | -1 | 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 | -1 | 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 | -1 | 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 | -1 | 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 | -1 | 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 | ||
| 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 | ||
| 4601 | 206724 | 35 | 3H-NMS | -1 | 17 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 269 | 6 | 0 | 2 | 3.7 | Cc1ccccc1C(OCCN(C)C)c1ccccc1 | None | ||
| CHEMBL1201023 | 206724 | 35 | 3H-NMS | -1 | 17 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 269 | 6 | 0 | 2 | 3.7 | Cc1ccccc1C(OCCN(C)C)c1ccccc1 | None | ||
| CHEMBL900 | 206724 | 35 | 3H-NMS | -1 | 17 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 269 | 6 | 0 | 2 | 3.7 | Cc1ccccc1C(OCCN(C)C)c1ccccc1 | None | ||
| 1225 | 1459 | 26 | 3H-QNB | -85 | 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 | -85 | 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 | -85 | 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 | -85 | 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 | -85 | 22 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 279 | 3 | 0 | 2 | 4.0 | CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C | None | ||
| 1615 | 167767 | 24 | 3H-QNB | -22 | 45 | Human | 5.1 | pKi | = | 5.1 | Binding | PDSP KiDatabase | 193 | 3 | 1 | 3 | 1.6 | CNC(C)Cc1ccc2c(c1)OCO2 | None | ||
| CHEMBL43048 | 167767 | 24 | 3H-QNB | -22 | 45 | Human | 5.1 | pKi | = | 5.1 | Binding | PDSP KiDatabase | 193 | 3 | 1 | 3 | 1.6 | CNC(C)Cc1ccc2c(c1)OCO2 | None | ||
| 3294 | 1993 | 111 | 3H-NMS | -301 | 45 | Human | 5.1 | pKi | = | 5.1 | Binding | PDSP KiDatabase | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | None | ||
| 71360 | 1993 | 111 | 3H-NMS | -301 | 45 | Human | 5.1 | pKi | = | 5.1 | Binding | PDSP KiDatabase | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | None | ||
| 87 | 1993 | 111 | 3H-NMS | -301 | 45 | Human | 5.1 | pKi | = | 5.1 | Binding | PDSP KiDatabase | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | None | ||
| CHEMBL14376 | 1993 | 111 | 3H-NMS | -301 | 45 | Human | 5.1 | pKi | = | 5.1 | Binding | PDSP KiDatabase | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | None | ||
| DB04946 | 1993 | 111 | 3H-NMS | -301 | 45 | Human | 5.1 | pKi | = | 5.1 | Binding | PDSP KiDatabase | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | None | ||
| 1971 | 2846 | 38 | 3H-QNB | -3 | 30 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | None | ||
| 2404 | 2846 | 38 | 3H-QNB | -3 | 30 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | None | ||
| 4543 | 2846 | 38 | 3H-QNB | -3 | 30 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | None | ||
| CHEMBL445 | 2846 | 38 | 3H-QNB | -3 | 30 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | None | ||
| DB00540 | 2846 | 38 | 3H-QNB | -3 | 30 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | None | ||
| 100 | 3776 | 58 | 3H-QNB | -14 | 56 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
| 2637 | 3776 | 58 | 3H-QNB | -14 | 56 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
| 5452 | 3776 | 58 | 3H-QNB | -14 | 56 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
| CHEMBL479 | 3776 | 58 | 3H-QNB | -14 | 56 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
| DB00679 | 3776 | 58 | 3H-QNB | -14 | 56 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
| 11693 | 1814 | 16 | None | 1 | 5 | Human | 8.0 | pKi | = | 8.0 | 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 | 8.0 | pKi | = | 8.0 | 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 | 8.0 | pKi | = | 8.0 | 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 | 8.0 | pKi | = | 8.0 | 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 | 8.0 | pKi | = | 8.0 | 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 | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | None | ||
| 25897919 | 55622 | 14 | None | -3 | 8 | Human | 8.0 | pKi | = | 8.0 | 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 | -3 | 8 | Human | 8.0 | pKi | = | 8.0 | 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 | -3 | 8 | Human | 8.0 | pKi | = | 8.0 | 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 | -3 | 8 | Human | 8.0 | pKi | = | 8.0 | 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 | ||
| 10129 | 3297 | 0 | None | -1 | 5 | Human | 8.0 | pKi | = | 8.0 | 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 | -1 | 5 | Human | 8.0 | pKi | = | 8.0 | 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 | -1 | 5 | Human | 8.0 | pKi | = | 8.0 | 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 | -1 | 5 | Human | 8.0 | pKi | = | 8.0 | 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 | -1 | 5 | Human | 8.0 | pKi | = | 8.0 | 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 | ||
| 12057539 | 208018 | 42 | None | -5 | 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 | -5 | 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 | -5 | 21 | Rat | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 289 | 4 | 1 | 4 | 1.9 | CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | None | ||
| 11968014 | 12726 | 5 | None | -12 | 9 | Human | 8.0 | pKi | = | 8.0 | 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 | -12 | 9 | Human | 8.0 | pKi | = | 8.0 | 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 | ||
| 3042 | 1402 | 35 | None | -1 | 15 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | None | ||
| 355 | 1402 | 35 | None | -1 | 15 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | None | ||
| 868 | 1402 | 35 | None | -1 | 15 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | None | ||
| CHEMBL1123 | 1402 | 35 | None | -1 | 15 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | None | ||
| DB00804 | 1402 | 35 | None | -1 | 15 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | 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 | ||
| 2039 | 2961 | 19 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 348 | 8 | 1 | 3 | 3.5 | CC[N+](CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)(CC)C | None | ||
| 5749 | 2961 | 19 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 348 | 8 | 1 | 3 | 3.5 | CC[N+](CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)(CC)C | None | ||
| 7257 | 2961 | 19 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 348 | 8 | 1 | 3 | 3.5 | CC[N+](CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)(CC)C | None | ||
| CHEMBL1201286 | 2961 | 19 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 348 | 8 | 1 | 3 | 3.5 | CC[N+](CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)(CC)C | None | ||
| DB00219 | 2961 | 19 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 348 | 8 | 1 | 3 | 3.5 | CC[N+](CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)(CC)C | None | ||
| 154417 | 23149 | 60 | None | -1 | 5 | Human | 8.0 | pKi | = | 8 | 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 | 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 | ||
| 100 | 3776 | 58 | 3H-QNB | -14 | 56 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
| 2637 | 3776 | 58 | 3H-QNB | -14 | 56 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
| 5452 | 3776 | 58 | 3H-QNB | -14 | 56 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
| CHEMBL479 | 3776 | 58 | 3H-QNB | -14 | 56 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
| DB00679 | 3776 | 58 | 3H-QNB | -14 | 56 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
| 308 | 2047 | 23 | 3H-NMS | -4 | 9 | Rat | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 349 | 6 | 1 | 2 | 4.2 | Fc1ccc(cc1)[Si](C1CCCCC1)(CCCN1CCCCC1)O | None | ||
| 3603 | 2047 | 23 | 3H-NMS | -4 | 9 | Rat | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 349 | 6 | 1 | 2 | 4.2 | Fc1ccc(cc1)[Si](C1CCCCC1)(CCCN1CCCCC1)O | None | ||
| CHEMBL1256682 | 2047 | 23 | 3H-NMS | -4 | 9 | Rat | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 349 | 6 | 1 | 2 | 4.2 | Fc1ccc(cc1)[Si](C1CCCCC1)(CCCN1CCCCC1)O | None | ||
| 2774 | 3839 | 95 | 3H-QNB | -7 | 10 | Rat | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | None | ||
| 5593 | 3839 | 95 | 3H-QNB | -7 | 10 | Rat | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | None | ||
| 7319 | 3839 | 95 | 3H-QNB | -7 | 10 | Rat | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | None | ||
| CHEMBL1200604 | 3839 | 95 | 3H-QNB | -7 | 10 | Rat | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | None | ||
| DB00809 | 3839 | 95 | 3H-QNB | -7 | 10 | Rat | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | None | ||
| DB01199 | 3839 | 95 | 3H-QNB | -7 | 10 | Rat | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | None | ||
| 135398745 | 2893 | 112 | 3H-QNB | -32 | 66 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| 47 | 2893 | 112 | 3H-QNB | -32 | 66 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| CHEMBL715 | 2893 | 112 | 3H-QNB | -32 | 66 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| DB00334 | 2893 | 112 | 3H-QNB | -32 | 66 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| 10104 | 3540 | 12 | None | -9 | 6 | Human | 6.5 | pKi | = | 6.5 | 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 | -9 | 6 | Human | 6.5 | pKi | = | 6.5 | 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 | -9 | 6 | Human | 6.5 | pKi | = | 6.5 | 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 | -1 | 5 | Human | 9.3 | pKi | = | 9.3 | 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 | -1 | 5 | Human | 9.3 | pKi | = | 9.3 | 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 | -1 | 5 | Human | 9.3 | pKi | = | 9.3 | 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 | -1 | 5 | Human | 9.3 | pKi | = | 9.3 | 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 | -1 | 5 | Human | 9.3 | pKi | = | 9.3 | 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 | ||
| 123603 | 880 | 29 | None | -1 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | Guide to Pharmacology | 199 | 0 | 0 | 3 | 1.6 | CC1SCC2(O1)CN1CCC2CC1 | 9399977 | ||
| 2684 | 880 | 29 | None | -1 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | Guide to Pharmacology | 199 | 0 | 0 | 3 | 1.6 | CC1SCC2(O1)CN1CCC2CC1 | 9399977 | ||
| 584 | 880 | 29 | None | -1 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | Guide to Pharmacology | 199 | 0 | 0 | 3 | 1.6 | CC1SCC2(O1)CN1CCC2CC1 | 9399977 | ||
| 9658 | 880 | 29 | None | -1 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | Guide to Pharmacology | 199 | 0 | 0 | 3 | 1.6 | CC1SCC2(O1)CN1CCC2CC1 | 9399977 | ||
| CHEMBL168815 | 880 | 29 | None | -1 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | Guide to Pharmacology | 199 | 0 | 0 | 3 | 1.6 | CC1SCC2(O1)CN1CCC2CC1 | 9399977 | ||
| 11434515 | 261 | 6 | None | 1 | 5 | Human | 10.0 | pKi | = | 10 | 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 | 10.0 | pKi | = | 10 | 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 | 10.0 | pKi | = | 10 | 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 | 10.0 | pKi | = | 10 | 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 | 10.0 | pKi | = | 10 | 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 | 10.0 | pKi | = | 10 | 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 | ||
| 2293 | 3164 | 27 | None | 1 | 4 | Human | 10.2 | pKi | = | 10.2 | Binding | Guide to Pharmacology | 368 | 6 | 0 | 3 | 4.7 | O=C(C1c2ccccc2Oc2c1cccc2)OCC[N+](C(C)C)(C(C)C)C | 12049493 | ||
| 329 | 3164 | 27 | None | 1 | 4 | Human | 10.2 | pKi | = | 10.2 | Binding | Guide to Pharmacology | 368 | 6 | 0 | 3 | 4.7 | O=C(C1c2ccccc2Oc2c1cccc2)OCC[N+](C(C)C)(C(C)C)C | 12049493 | ||
| 4934 | 3164 | 27 | None | 1 | 4 | Human | 10.2 | pKi | = | 10.2 | Binding | Guide to Pharmacology | 368 | 6 | 0 | 3 | 4.7 | O=C(C1c2ccccc2Oc2c1cccc2)OCC[N+](C(C)C)(C(C)C)C | 12049493 | ||
| CHEMBL1180725 | 3164 | 27 | None | 1 | 4 | Human | 10.2 | pKi | = | 10.2 | Binding | Guide to Pharmacology | 368 | 6 | 0 | 3 | 4.7 | O=C(C1c2ccccc2Oc2c1cccc2)OCC[N+](C(C)C)(C(C)C)C | 12049493 | ||
| DB00782 | 3164 | 27 | None | 1 | 4 | Human | 10.2 | pKi | = | 10.2 | Binding | Guide to Pharmacology | 368 | 6 | 0 | 3 | 4.7 | O=C(C1c2ccccc2Oc2c1cccc2)OCC[N+](C(C)C)(C(C)C)C | 12049493 | ||
| 11519069 | 3908 | 3 | None | -3 | 5 | Human | 10.3 | pKi | = | 10.3 | Binding | Guide to Pharmacology | 428 | 8 | 1 | 2 | 5.1 | OC(C12CC[N+](CC1)(CC2)CCOCc1ccccc1)(c1ccccc1)c1ccccc1 | 23435542 | ||
| 11519070 | 3908 | 3 | None | -3 | 5 | Human | 10.3 | pKi | = | 10.3 | Binding | Guide to Pharmacology | 428 | 8 | 1 | 2 | 5.1 | OC(C12CC[N+](CC1)(CC2)CCOCc1ccccc1)(c1ccccc1)c1ccccc1 | 23435542 | ||
| 4816 | 3908 | 3 | None | -3 | 5 | Human | 10.3 | pKi | = | 10.3 | Binding | Guide to Pharmacology | 428 | 8 | 1 | 2 | 5.1 | OC(C12CC[N+](CC1)(CC2)CCOCc1ccccc1)(c1ccccc1)c1ccccc1 | 23435542 | ||
| 7354 | 3908 | 3 | None | -3 | 5 | Human | 10.3 | pKi | = | 10.3 | Binding | Guide to Pharmacology | 428 | 8 | 1 | 2 | 5.1 | OC(C12CC[N+](CC1)(CC2)CCOCc1ccccc1)(c1ccccc1)c1ccccc1 | 23435542 | ||
| CHEMBL1187833 | 3908 | 3 | None | -3 | 5 | Human | 10.3 | pKi | = | 10.3 | Binding | Guide to Pharmacology | 428 | 8 | 1 | 2 | 5.1 | OC(C12CC[N+](CC1)(CC2)CCOCc1ccccc1)(c1ccccc1)c1ccccc1 | 23435542 | ||
| DB09076 | 3908 | 3 | None | -3 | 5 | Human | 10.3 | pKi | = | 10.3 | Binding | Guide to Pharmacology | 428 | 8 | 1 | 2 | 5.1 | OC(C12CC[N+](CC1)(CC2)CCOCc1ccccc1)(c1ccccc1)c1ccccc1 | 23435542 | ||
| 367 | 3795 | 12 | None | -10 | 8 | Human | 10.4 | pKi | = | 10.4 | 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 | -10 | 8 | Human | 10.4 | pKi | = | 10.4 | 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 | -10 | 8 | Human | 10.4 | pKi | = | 10.4 | 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 | -10 | 8 | Human | 10.4 | pKi | = | 10.4 | 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 | -10 | 8 | Human | 10.4 | pKi | = | 10.4 | 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 | -10 | 8 | Human | 10.4 | pKi | = | 10.4 | 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 | -10 | 8 | Human | 10.4 | pKi | = | 10.4 | 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 | -10 | 8 | Human | 10.4 | pKi | = | 10.4 | 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 | -10 | 8 | Human | 10.4 | pKi | = | 10.4 | 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 | -10 | 8 | Human | 10.4 | pKi | = | 10.4 | 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 | -10 | 8 | Human | 10.4 | pKi | = | 10.4 | 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 | -10 | 8 | Human | 10.4 | pKi | = | 10.4 | 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 | -10 | 8 | Human | 10.4 | pKi | = | 10.4 | 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 | -10 | 8 | Human | 10.4 | pKi | = | 10.4 | 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 | ||
| 23056 | 112 | 29 | None | -1 | 8 | Human | 10.4 | pKi | = | 10.4 | Binding | Guide to Pharmacology | 337 | 4 | 1 | 4 | 2.6 | O=C(C(c1ccccc1)(c1ccccc1)O)OC1CN2CCC1CC2 | 29860464 | ||
| 318 | 112 | 29 | None | -1 | 8 | Human | 10.4 | pKi | = | 10.4 | Binding | Guide to Pharmacology | 337 | 4 | 1 | 4 | 2.6 | O=C(C(c1ccccc1)(c1ccccc1)O)OC1CN2CCC1CC2 | 29860464 | ||
| 3260 | 112 | 29 | None | -1 | 8 | Human | 10.4 | pKi | = | 10.4 | Binding | Guide to Pharmacology | 337 | 4 | 1 | 4 | 2.6 | O=C(C(c1ccccc1)(c1ccccc1)O)OC1CN2CCC1CC2 | 29860464 | ||
| CHEMBL12980 | 112 | 29 | None | -1 | 8 | Human | 10.4 | pKi | = | 10.4 | Binding | Guide to Pharmacology | 337 | 4 | 1 | 4 | 2.6 | O=C(C(c1ccccc1)(c1ccccc1)O)OC1CN2CCC1CC2 | 29860464 | ||
| 2370 | 620 | 31 | None | -1 | 5 | Human | 4.0 | pKi | = | 4 | Binding | Guide to Pharmacology | 161 | 3 | 1 | 2 | 0.2 | CC(C[N+](C)(C)C)OC(=O)N | 7620715 | ||
| 2370 | 620 | 31 | None | -1 | 5 | Human | 4.0 | pKi | = | 4 | Binding | Guide to Pharmacology | 161 | 3 | 1 | 2 | 0.2 | CC(C[N+](C)(C)C)OC(=O)N | 9224827 | ||
| 297 | 620 | 31 | None | -1 | 5 | Human | 4.0 | pKi | = | 4 | Binding | Guide to Pharmacology | 161 | 3 | 1 | 2 | 0.2 | CC(C[N+](C)(C)C)OC(=O)N | 7620715 | ||
| 297 | 620 | 31 | None | -1 | 5 | Human | 4.0 | pKi | = | 4 | Binding | Guide to Pharmacology | 161 | 3 | 1 | 2 | 0.2 | CC(C[N+](C)(C)C)OC(=O)N | 9224827 | ||
| 358 | 620 | 31 | None | -1 | 5 | Human | 4.0 | pKi | = | 4 | Binding | Guide to Pharmacology | 161 | 3 | 1 | 2 | 0.2 | CC(C[N+](C)(C)C)OC(=O)N | 7620715 | ||
| 358 | 620 | 31 | None | -1 | 5 | Human | 4.0 | pKi | = | 4 | Binding | Guide to Pharmacology | 161 | 3 | 1 | 2 | 0.2 | CC(C[N+](C)(C)C)OC(=O)N | 9224827 | ||
| CHEMBL1482 | 620 | 31 | None | -1 | 5 | Human | 4.0 | pKi | = | 4 | Binding | Guide to Pharmacology | 161 | 3 | 1 | 2 | 0.2 | CC(C[N+](C)(C)C)OC(=O)N | 7620715 | ||
| CHEMBL1482 | 620 | 31 | None | -1 | 5 | Human | 4.0 | pKi | = | 4 | Binding | Guide to Pharmacology | 161 | 3 | 1 | 2 | 0.2 | CC(C[N+](C)(C)C)OC(=O)N | 9224827 | ||
| DB01019 | 620 | 31 | None | -1 | 5 | Human | 4.0 | pKi | = | 4 | Binding | Guide to Pharmacology | 161 | 3 | 1 | 2 | 0.2 | CC(C[N+](C)(C)C)OC(=O)N | 7620715 | ||
| DB01019 | 620 | 31 | None | -1 | 5 | Human | 4.0 | pKi | = | 4 | Binding | Guide to Pharmacology | 161 | 3 | 1 | 2 | 0.2 | CC(C[N+](C)(C)C)OC(=O)N | 9224827 | ||
| 2551 | 791 | 23 | None | -21 | 11 | Human | 4.6 | pKi | = | 4.6 | Binding | Guide to Pharmacology | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10323594 | ||
| 2551 | 791 | 23 | None | -21 | 11 | Human | 4.6 | pKi | = | 4.6 | Binding | Guide to Pharmacology | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 9224827 | ||
| 298 | 791 | 23 | None | -21 | 11 | Human | 4.6 | pKi | = | 4.6 | Binding | Guide to Pharmacology | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10323594 | ||
| 298 | 791 | 23 | None | -21 | 11 | Human | 4.6 | pKi | = | 4.6 | Binding | Guide to Pharmacology | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 9224827 | ||
| 488 | 791 | 23 | None | -21 | 11 | Human | 4.6 | pKi | = | 4.6 | Binding | Guide to Pharmacology | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10323594 | ||
| 488 | 791 | 23 | None | -21 | 11 | Human | 4.6 | pKi | = | 4.6 | Binding | Guide to Pharmacology | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 9224827 | ||
| CHEMBL965 | 791 | 23 | None | -21 | 11 | Human | 4.6 | pKi | = | 4.6 | Binding | Guide to Pharmacology | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10323594 | ||
| CHEMBL965 | 791 | 23 | None | -21 | 11 | Human | 4.6 | pKi | = | 4.6 | Binding | Guide to Pharmacology | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 9224827 | ||
| DB00411 | 791 | 23 | None | -21 | 11 | Human | 4.6 | pKi | = | 4.6 | Binding | Guide to Pharmacology | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10323594 | ||
| DB00411 | 791 | 23 | None | -21 | 11 | Human | 4.6 | pKi | = | 4.6 | Binding | Guide to Pharmacology | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 9224827 | ||
| 187 | 255 | 39 | None | -6 | 9 | Human | 5.1 | pKi | = | 5.1 | Binding | Guide to Pharmacology | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 23798605 | ||
| 187 | 255 | 39 | None | -6 | 9 | Human | 5.1 | pKi | = | 5.1 | Binding | Guide to Pharmacology | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 9224827 | ||
| 294 | 255 | 39 | None | -6 | 9 | Human | 5.1 | pKi | = | 5.1 | Binding | Guide to Pharmacology | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 23798605 | ||
| 294 | 255 | 39 | None | -6 | 9 | Human | 5.1 | pKi | = | 5.1 | Binding | Guide to Pharmacology | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 9224827 | ||
| 65 | 255 | 39 | None | -6 | 9 | Human | 5.1 | pKi | = | 5.1 | Binding | Guide to Pharmacology | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 23798605 | ||
| 65 | 255 | 39 | None | -6 | 9 | Human | 5.1 | pKi | = | 5.1 | Binding | Guide to Pharmacology | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 9224827 | ||
| 8593 | 255 | 39 | None | -6 | 9 | Human | 5.1 | pKi | = | 5.1 | Binding | Guide to Pharmacology | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 23798605 | ||
| 8593 | 255 | 39 | None | -6 | 9 | Human | 5.1 | pKi | = | 5.1 | Binding | Guide to Pharmacology | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 9224827 | ||
| CHEMBL667 | 255 | 39 | None | -6 | 9 | Human | 5.1 | pKi | = | 5.1 | Binding | Guide to Pharmacology | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 23798605 | ||
| CHEMBL667 | 255 | 39 | None | -6 | 9 | Human | 5.1 | pKi | = | 5.1 | Binding | Guide to Pharmacology | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 9224827 | ||
| DB03128 | 255 | 39 | None | -6 | 9 | Human | 5.1 | pKi | = | 5.1 | Binding | Guide to Pharmacology | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 23798605 | ||
| DB03128 | 255 | 39 | None | -6 | 9 | Human | 5.1 | pKi | = | 5.1 | Binding | Guide to Pharmacology | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 9224827 | ||
| 302 | 2956 | 25 | None | -7 | 8 | Human | 5.2 | pKi | = | 5.2 | Binding | Guide to Pharmacology | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | 7620715 | ||
| 302 | 2956 | 25 | None | -7 | 8 | Human | 5.2 | pKi | = | 5.2 | Binding | Guide to Pharmacology | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | 9224827 | ||
| 4630 | 2956 | 25 | None | -7 | 8 | Human | 5.2 | pKi | = | 5.2 | Binding | Guide to Pharmacology | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | 7620715 | ||
| 4630 | 2956 | 25 | None | -7 | 8 | Human | 5.2 | pKi | = | 5.2 | Binding | Guide to Pharmacology | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | 9224827 | ||
| CHEMBL7634 | 2956 | 25 | None | -7 | 8 | Human | 5.2 | pKi | = | 5.2 | Binding | Guide to Pharmacology | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | 7620715 | ||
| CHEMBL7634 | 2956 | 25 | None | -7 | 8 | Human | 5.2 | pKi | = | 5.2 | Binding | Guide to Pharmacology | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | 9224827 | ||
| 2166 | 3101 | 49 | None | -17 | 8 | Human | 5.2 | pKi | = | 5.2 | Binding | Guide to Pharmacology | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 7620715 | ||
| 2166 | 3101 | 49 | None | -17 | 8 | Human | 5.2 | pKi | = | 5.2 | Binding | Guide to Pharmacology | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 9224827 | ||
| 305 | 3101 | 49 | None | -17 | 8 | Human | 5.2 | pKi | = | 5.2 | Binding | Guide to Pharmacology | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 7620715 | ||
| 305 | 3101 | 49 | None | -17 | 8 | Human | 5.2 | pKi | = | 5.2 | Binding | Guide to Pharmacology | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 9224827 | ||
| 5910 | 3101 | 49 | None | -17 | 8 | Human | 5.2 | pKi | = | 5.2 | Binding | Guide to Pharmacology | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 7620715 | ||
| 5910 | 3101 | 49 | None | -17 | 8 | Human | 5.2 | pKi | = | 5.2 | Binding | Guide to Pharmacology | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 9224827 | ||
| CHEMBL550 | 3101 | 49 | None | -17 | 8 | Human | 5.2 | pKi | = | 5.2 | Binding | Guide to Pharmacology | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 7620715 | ||
| CHEMBL550 | 3101 | 49 | None | -17 | 8 | Human | 5.2 | pKi | = | 5.2 | Binding | Guide to Pharmacology | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 9224827 | ||
| DB01085 | 3101 | 49 | None | -17 | 8 | Human | 5.2 | pKi | = | 5.2 | Binding | Guide to Pharmacology | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 7620715 | ||
| DB01085 | 3101 | 49 | None | -17 | 8 | Human | 5.2 | pKi | = | 5.2 | Binding | Guide to Pharmacology | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 9224827 | ||
| 2230 | 464 | 60 | None | -218 | 10 | Human | 5.5 | pKi | = | 5.5 | Binding | Guide to Pharmacology | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 32717485 | ||
| 2230 | 464 | 60 | None | -218 | 10 | Human | 5.5 | pKi | = | 5.5 | Binding | Guide to Pharmacology | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 7620715 | ||
| 2230 | 464 | 60 | None | -218 | 10 | Human | 5.5 | pKi | = | 5.5 | Binding | Guide to Pharmacology | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 9224827 | ||
| 296 | 464 | 60 | None | -218 | 10 | Human | 5.5 | pKi | = | 5.5 | Binding | Guide to Pharmacology | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 32717485 | ||
| 296 | 464 | 60 | None | -218 | 10 | Human | 5.5 | pKi | = | 5.5 | Binding | Guide to Pharmacology | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 7620715 | ||
| 296 | 464 | 60 | None | -218 | 10 | Human | 5.5 | pKi | = | 5.5 | Binding | Guide to Pharmacology | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 9224827 | ||
| CHEMBL7303 | 464 | 60 | None | -218 | 10 | Human | 5.5 | pKi | = | 5.5 | Binding | Guide to Pharmacology | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 32717485 | ||
| CHEMBL7303 | 464 | 60 | None | -218 | 10 | Human | 5.5 | pKi | = | 5.5 | Binding | Guide to Pharmacology | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 7620715 | ||
| CHEMBL7303 | 464 | 60 | None | -218 | 10 | Human | 5.5 | pKi | = | 5.5 | Binding | Guide to Pharmacology | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 9224827 | ||
| DB04365 | 464 | 60 | None | -218 | 10 | Human | 5.5 | pKi | = | 5.5 | Binding | Guide to Pharmacology | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 32717485 | ||
| DB04365 | 464 | 60 | None | -218 | 10 | Human | 5.5 | pKi | = | 5.5 | Binding | Guide to Pharmacology | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 7620715 | ||
| DB04365 | 464 | 60 | None | -218 | 10 | Human | 5.5 | pKi | = | 5.5 | Binding | Guide to Pharmacology | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 9224827 | ||
| 1726 | 2480 | 13 | None | -32 | 5 | Rat | 5.8 | pKi | = | 5.8 | Binding | Guide to Pharmacology | 160 | 3 | 0 | 2 | 0.6 | CC(C[N+](C)(C)C)OC(=O)C | 7620715 | ||
| 1726 | 2480 | 13 | None | -32 | 5 | Rat | 5.8 | pKi | = | 5.8 | Binding | Guide to Pharmacology | 160 | 3 | 0 | 2 | 0.6 | CC(C[N+](C)(C)C)OC(=O)C | 9622546 | ||
| 1993 | 2480 | 13 | None | -32 | 5 | Rat | 5.8 | pKi | = | 5.8 | Binding | Guide to Pharmacology | 160 | 3 | 0 | 2 | 0.6 | CC(C[N+](C)(C)C)OC(=O)C | 7620715 | ||
| 1993 | 2480 | 13 | None | -32 | 5 | Rat | 5.8 | pKi | = | 5.8 | Binding | Guide to Pharmacology | 160 | 3 | 0 | 2 | 0.6 | CC(C[N+](C)(C)C)OC(=O)C | 9622546 | ||
| 7438 | 2480 | 13 | None | -32 | 5 | Rat | 5.8 | pKi | = | 5.8 | Binding | Guide to Pharmacology | 160 | 3 | 0 | 2 | 0.6 | CC(C[N+](C)(C)C)OC(=O)C | 7620715 | ||
| 7438 | 2480 | 13 | None | -32 | 5 | Rat | 5.8 | pKi | = | 5.8 | Binding | Guide to Pharmacology | 160 | 3 | 0 | 2 | 0.6 | CC(C[N+](C)(C)C)OC(=O)C | 9622546 | ||
| CHEMBL978 | 2480 | 13 | None | -32 | 5 | Rat | 5.8 | pKi | = | 5.8 | Binding | Guide to Pharmacology | 160 | 3 | 0 | 2 | 0.6 | CC(C[N+](C)(C)C)OC(=O)C | 7620715 | ||
| CHEMBL978 | 2480 | 13 | None | -32 | 5 | Rat | 5.8 | pKi | = | 5.8 | Binding | Guide to Pharmacology | 160 | 3 | 0 | 2 | 0.6 | CC(C[N+](C)(C)C)OC(=O)C | 9622546 | ||
| DB06709 | 2480 | 13 | None | -32 | 5 | Rat | 5.8 | pKi | = | 5.8 | Binding | Guide to Pharmacology | 160 | 3 | 0 | 2 | 0.6 | CC(C[N+](C)(C)C)OC(=O)C | 7620715 | ||
| DB06709 | 2480 | 13 | None | -32 | 5 | Rat | 5.8 | pKi | = | 5.8 | Binding | Guide to Pharmacology | 160 | 3 | 0 | 2 | 0.6 | CC(C[N+](C)(C)C)OC(=O)C | 9622546 | ||
| 24768606 | 3999 | 58 | None | -79 | 5 | Human | 5.9 | pKi | = | 5.9 | Binding | Guide to Pharmacology | 432 | 6 | 1 | 8 | 1.1 | O=C(N1CCN(CC1)c1ccncc1)CCNS(=O)(=O)c1cccc2c1nsn2 | 19407080 | ||
| 3274 | 3999 | 58 | None | -79 | 5 | Human | 5.9 | pKi | = | 5.9 | Binding | Guide to Pharmacology | 432 | 6 | 1 | 8 | 1.1 | O=C(N1CCN(CC1)c1ccncc1)CCNS(=O)(=O)c1cccc2c1nsn2 | 19407080 | ||
| CHEMBL1628667 | 3999 | 58 | None | -79 | 5 | Human | 5.9 | pKi | = | 5.9 | Binding | Guide to Pharmacology | 432 | 6 | 1 | 8 | 1.1 | O=C(N1CCN(CC1)c1ccncc1)CCNS(=O)(=O)c1cccc2c1nsn2 | 19407080 | ||
| 129786 | 1878 | 0 | None | -17 | 4 | Rat | 6.2 | pKi | = | 6.2 | Binding | Guide to Pharmacology | 379 | 2 | 3 | 5 | 0.8 | NC(=N)N1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 8813552 | ||
| 3276 | 1878 | 0 | None | -17 | 4 | Rat | 6.2 | pKi | = | 6.2 | Binding | Guide to Pharmacology | 379 | 2 | 3 | 5 | 0.8 | NC(=N)N1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 8813552 | ||
| 154059 | 3610 | 51 | None | -5 | 8 | Human | 6.8 | pKi | = | 6.8 | 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 | -5 | 8 | Human | 6.8 | pKi | = | 6.8 | 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 | -5 | 8 | Human | 6.8 | pKi | = | 6.8 | 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 | -5 | 8 | Human | 6.8 | pKi | = | 6.8 | 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 | -5 | 8 | Human | 6.8 | pKi | = | 6.8 | Binding | Guide to Pharmacology | 362 | 2 | 0 | 3 | 3.9 | O=C(N1CCc2c([C@@H]1c1ccccc1)cccc2)O[C@H]1CN2CCC1CC2 | 20590605 | ||
| 2774 | 3839 | 95 | None | 1 | 10 | Human | 6.9 | pKi | = | 6.9 | Binding | Guide to Pharmacology | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | 29860464 | ||
| 5593 | 3839 | 95 | None | 1 | 10 | Human | 6.9 | pKi | = | 6.9 | Binding | Guide to Pharmacology | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | 29860464 | ||
| 7319 | 3839 | 95 | None | 1 | 10 | Human | 6.9 | pKi | = | 6.9 | Binding | Guide to Pharmacology | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | 29860464 | ||
| CHEMBL1200604 | 3839 | 95 | None | 1 | 10 | Human | 6.9 | pKi | = | 6.9 | Binding | Guide to Pharmacology | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | 29860464 | ||
| DB00809 | 3839 | 95 | None | 1 | 10 | Human | 6.9 | pKi | = | 6.9 | Binding | Guide to Pharmacology | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | 29860464 | ||
| DB01199 | 3839 | 95 | None | 1 | 10 | Human | 6.9 | pKi | = | 6.9 | Binding | Guide to Pharmacology | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | 29860464 | ||
| 154734599 | 2486 | 12 | None | -2 | 12 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 1994002 | ||
| 154734599 | 2486 | 12 | None | -2 | 12 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 2704370 | ||
| 154734599 | 2486 | 12 | None | -2 | 12 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 8759038 | ||
| 154734599 | 2486 | 12 | None | -2 | 12 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 9113359 | ||
| 327 | 2486 | 12 | None | -2 | 12 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 1994002 | ||
| 327 | 2486 | 12 | None | -2 | 12 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 2704370 | ||
| 327 | 2486 | 12 | None | -2 | 12 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 8759038 | ||
| 327 | 2486 | 12 | None | -2 | 12 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 9113359 | ||
| 4108 | 2486 | 12 | None | -2 | 12 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 1994002 | ||
| 4108 | 2486 | 12 | None | -2 | 12 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 2704370 | ||
| 4108 | 2486 | 12 | None | -2 | 12 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 8759038 | ||
| 4108 | 2486 | 12 | None | -2 | 12 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 9113359 | ||
| CHEMBL27673 | 2486 | 12 | None | -2 | 12 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 1994002 | ||
| CHEMBL27673 | 2486 | 12 | None | -2 | 12 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 2704370 | ||
| CHEMBL27673 | 2486 | 12 | None | -2 | 12 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 8759038 | ||
| CHEMBL27673 | 2486 | 12 | None | -2 | 12 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 9113359 | ||
| 5282426 | 1454 | 0 | None | -15 | 6 | Human | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 295 | 3 | 0 | 2 | 4.7 | CN(CC/C=C/1\c2ccccc2SCc2c1cccc2)C | 8100134 | ||
| 7549 | 1454 | 0 | None | -15 | 6 | Human | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 295 | 3 | 0 | 2 | 4.7 | CN(CC/C=C/1\c2ccccc2SCc2c1cccc2)C | 8100134 | ||
| CHEMBL108947 | 1454 | 0 | None | -15 | 6 | Human | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 295 | 3 | 0 | 2 | 4.7 | CN(CC/C=C/1\c2ccccc2SCc2c1cccc2)C | 8100134 | ||
| 2200 | 3109 | 46 | None | -2 | 13 | Human | 7.3 | pKi | = | 7.3 | Binding | Guide to Pharmacology | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 12049493 | ||
| 2200 | 3109 | 46 | None | -2 | 13 | Human | 7.3 | pKi | = | 7.3 | Binding | Guide to Pharmacology | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 1994002 | ||
| 2200 | 3109 | 46 | None | -2 | 13 | Human | 7.3 | pKi | = | 7.3 | Binding | Guide to Pharmacology | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 2043926 | ||
| 2200 | 3109 | 46 | None | -2 | 13 | Human | 7.3 | pKi | = | 7.3 | Binding | Guide to Pharmacology | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 7925952 | ||
| 2200 | 3109 | 46 | None | -2 | 13 | Human | 7.3 | pKi | = | 7.3 | Binding | Guide to Pharmacology | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 9113359 | ||
| 328 | 3109 | 46 | None | -2 | 13 | Human | 7.3 | pKi | = | 7.3 | Binding | Guide to Pharmacology | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 12049493 | ||
| 328 | 3109 | 46 | None | -2 | 13 | Human | 7.3 | pKi | = | 7.3 | Binding | Guide to Pharmacology | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 1994002 | ||
| 328 | 3109 | 46 | None | -2 | 13 | Human | 7.3 | pKi | = | 7.3 | Binding | Guide to Pharmacology | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 2043926 | ||
| 328 | 3109 | 46 | None | -2 | 13 | Human | 7.3 | pKi | = | 7.3 | Binding | Guide to Pharmacology | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 7925952 | ||
| 328 | 3109 | 46 | None | -2 | 13 | Human | 7.3 | pKi | = | 7.3 | Binding | Guide to Pharmacology | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 9113359 | ||
| 4848 | 3109 | 46 | None | -2 | 13 | Human | 7.3 | pKi | = | 7.3 | Binding | Guide to Pharmacology | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 12049493 | ||
| 4848 | 3109 | 46 | None | -2 | 13 | Human | 7.3 | pKi | = | 7.3 | Binding | Guide to Pharmacology | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 1994002 | ||
| 4848 | 3109 | 46 | None | -2 | 13 | Human | 7.3 | pKi | = | 7.3 | Binding | Guide to Pharmacology | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 2043926 | ||
| 4848 | 3109 | 46 | None | -2 | 13 | Human | 7.3 | pKi | = | 7.3 | Binding | Guide to Pharmacology | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 7925952 | ||
| 4848 | 3109 | 46 | None | -2 | 13 | Human | 7.3 | pKi | = | 7.3 | Binding | Guide to Pharmacology | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 9113359 | ||
| CHEMBL9967 | 3109 | 46 | None | -2 | 13 | Human | 7.3 | pKi | = | 7.3 | Binding | Guide to Pharmacology | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 12049493 | ||
| CHEMBL9967 | 3109 | 46 | None | -2 | 13 | Human | 7.3 | pKi | = | 7.3 | Binding | Guide to Pharmacology | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 1994002 | ||
| CHEMBL9967 | 3109 | 46 | None | -2 | 13 | Human | 7.3 | pKi | = | 7.3 | Binding | Guide to Pharmacology | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 2043926 | ||
| CHEMBL9967 | 3109 | 46 | None | -2 | 13 | Human | 7.3 | pKi | = | 7.3 | Binding | Guide to Pharmacology | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 7925952 | ||
| CHEMBL9967 | 3109 | 46 | None | -2 | 13 | Human | 7.3 | pKi | = | 7.3 | Binding | Guide to Pharmacology | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 9113359 | ||
| DB00670 | 3109 | 46 | None | -2 | 13 | Human | 7.3 | pKi | = | 7.3 | Binding | Guide to Pharmacology | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 12049493 | ||
| DB00670 | 3109 | 46 | None | -2 | 13 | Human | 7.3 | pKi | = | 7.3 | Binding | Guide to Pharmacology | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 1994002 | ||
| DB00670 | 3109 | 46 | None | -2 | 13 | Human | 7.3 | pKi | = | 7.3 | Binding | Guide to Pharmacology | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 2043926 | ||
| DB00670 | 3109 | 46 | None | -2 | 13 | Human | 7.3 | pKi | = | 7.3 | Binding | Guide to Pharmacology | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 7925952 | ||
| DB00670 | 3109 | 46 | None | -2 | 13 | Human | 7.3 | pKi | = | 7.3 | Binding | Guide to Pharmacology | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 9113359 | ||
| 11498 | 2997 | 41 | None | 38 | 6 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 392 | 3 | 1 | 5 | 4.1 | CCOC(=O)c1c(C)[nH]c2c1c1CN3CCc4c(C3Oc1cc2)ccc(c4)OC | 10576595 | ||
| 11498 | 2997 | 41 | None | 38 | 6 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 392 | 3 | 1 | 5 | 4.1 | CCOC(=O)c1c(C)[nH]c2c1c1CN3CCc4c(C3Oc1cc2)ccc(c4)OC | 27085897 | ||
| 4995951 | 2997 | 41 | None | 38 | 6 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 392 | 3 | 1 | 5 | 4.1 | CCOC(=O)c1c(C)[nH]c2c1c1CN3CCc4c(C3Oc1cc2)ccc(c4)OC | 10576595 | ||
| 4995951 | 2997 | 41 | None | 38 | 6 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 392 | 3 | 1 | 5 | 4.1 | CCOC(=O)c1c(C)[nH]c2c1c1CN3CCc4c(C3Oc1cc2)ccc(c4)OC | 27085897 | ||
| CHEMBL59898 | 2997 | 41 | None | 38 | 6 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 392 | 3 | 1 | 5 | 4.1 | CCOC(=O)c1c(C)[nH]c2c1c1CN3CCc4c(C3Oc1cc2)ccc(c4)OC | 10576595 | ||
| CHEMBL59898 | 2997 | 41 | None | 38 | 6 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 392 | 3 | 1 | 5 | 4.1 | CCOC(=O)c1c(C)[nH]c2c1c1CN3CCc4c(C3Oc1cc2)ccc(c4)OC | 27085897 | ||
| 3652 | 4066 | 79 | None | -3 | 18 | Human | 7.6 | pKi | = | 7.6 | Binding | Guide to Pharmacology | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10323594 | ||
| 3652 | 4066 | 79 | None | -3 | 18 | Human | 7.6 | pKi | = | 7.6 | Binding | Guide to Pharmacology | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 35380782 | ||
| 3652 | 4066 | 79 | None | -3 | 18 | Human | 7.6 | pKi | = | 7.6 | Binding | Guide to Pharmacology | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 36782010 | ||
| 3652 | 4066 | 79 | None | -3 | 18 | Human | 7.6 | pKi | = | 7.6 | Binding | Guide to Pharmacology | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 9884068 | ||
| 57 | 4066 | 79 | None | -3 | 18 | Human | 7.6 | pKi | = | 7.6 | Binding | Guide to Pharmacology | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10323594 | ||
| 57 | 4066 | 79 | None | -3 | 18 | Human | 7.6 | pKi | = | 7.6 | Binding | Guide to Pharmacology | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 35380782 | ||
| 57 | 4066 | 79 | None | -3 | 18 | Human | 7.6 | pKi | = | 7.6 | Binding | Guide to Pharmacology | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 36782010 | ||
| 57 | 4066 | 79 | None | -3 | 18 | Human | 7.6 | pKi | = | 7.6 | Binding | Guide to Pharmacology | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 9884068 | ||
| 60809 | 4066 | 79 | None | -3 | 18 | Human | 7.6 | pKi | = | 7.6 | Binding | Guide to Pharmacology | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10323594 | ||
| 60809 | 4066 | 79 | None | -3 | 18 | Human | 7.6 | pKi | = | 7.6 | Binding | Guide to Pharmacology | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 35380782 | ||
| 60809 | 4066 | 79 | None | -3 | 18 | Human | 7.6 | pKi | = | 7.6 | Binding | Guide to Pharmacology | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 36782010 | ||
| 60809 | 4066 | 79 | None | -3 | 18 | Human | 7.6 | pKi | = | 7.6 | Binding | Guide to Pharmacology | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 9884068 | ||
| CHEMBL21536 | 4066 | 79 | None | -3 | 18 | Human | 7.6 | pKi | = | 7.6 | Binding | Guide to Pharmacology | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10323594 | ||
| CHEMBL21536 | 4066 | 79 | None | -3 | 18 | Human | 7.6 | pKi | = | 7.6 | Binding | Guide to Pharmacology | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 35380782 | ||
| CHEMBL21536 | 4066 | 79 | None | -3 | 18 | Human | 7.6 | pKi | = | 7.6 | Binding | Guide to Pharmacology | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 36782010 | ||
| CHEMBL21536 | 4066 | 79 | None | -3 | 18 | Human | 7.6 | pKi | = | 7.6 | Binding | Guide to Pharmacology | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 9884068 | ||
| DB15357 | 4066 | 79 | None | -3 | 18 | Human | 7.6 | pKi | = | 7.6 | Binding | Guide to Pharmacology | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10323594 | ||
| DB15357 | 4066 | 79 | None | -3 | 18 | Human | 7.6 | pKi | = | 7.6 | Binding | Guide to Pharmacology | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 35380782 | ||
| DB15357 | 4066 | 79 | None | -3 | 18 | Human | 7.6 | pKi | = | 7.6 | Binding | Guide to Pharmacology | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 36782010 | ||
| DB15357 | 4066 | 79 | None | -3 | 18 | Human | 7.6 | pKi | = | 7.6 | Binding | Guide to Pharmacology | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 9884068 | ||
| 119357 | 303 | 49 | None | -1 | 6 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 478 | 9 | 2 | 5 | 4.5 | CCCN(CC1CCCCN1CCNC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CCC | 1994002 | ||
| 119357 | 303 | 49 | None | -1 | 6 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 478 | 9 | 2 | 5 | 4.5 | CCCN(CC1CCCCN1CCNC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CCC | 27085897 | ||
| 3264 | 303 | 49 | None | -1 | 6 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 478 | 9 | 2 | 5 | 4.5 | CCCN(CC1CCCCN1CCNC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CCC | 1994002 | ||
| 3264 | 303 | 49 | None | -1 | 6 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 478 | 9 | 2 | 5 | 4.5 | CCCN(CC1CCCCN1CCNC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CCC | 27085897 | ||
| 368 | 303 | 49 | None | -1 | 6 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 478 | 9 | 2 | 5 | 4.5 | CCCN(CC1CCCCN1CCNC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CCC | 1994002 | ||
| 368 | 303 | 49 | None | -1 | 6 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 478 | 9 | 2 | 5 | 4.5 | CCCN(CC1CCCCN1CCNC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CCC | 27085897 | ||
| CHEMBL279453 | 303 | 49 | None | -1 | 6 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 478 | 9 | 2 | 5 | 4.5 | CCCN(CC1CCCCN1CCNC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CCC | 1994002 | ||
| CHEMBL279453 | 303 | 49 | None | -1 | 6 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 478 | 9 | 2 | 5 | 4.5 | CCCN(CC1CCCCN1CCNC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CCC | 27085897 | ||
| 319 | 1312 | 44 | None | -9 | 9 | Human | 7.7 | pKi | = | 7.7 | 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 | -9 | 9 | Human | 7.7 | pKi | = | 7.7 | 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 | -9 | 9 | Human | 7.7 | pKi | = | 7.7 | 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 | -9 | 9 | Human | 7.7 | pKi | = | 7.7 | 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 | -9 | 9 | Human | 7.7 | pKi | = | 7.7 | 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 | -9 | 9 | Human | 7.7 | pKi | = | 7.7 | 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 | -9 | 9 | Human | 7.7 | pKi | = | 7.7 | 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 | -9 | 9 | Human | 7.7 | pKi | = | 7.7 | 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 | -9 | 9 | Human | 7.7 | pKi | = | 7.7 | 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 | -9 | 9 | Human | 7.7 | pKi | = | 7.7 | 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 | -9 | 9 | Human | 7.7 | pKi | = | 7.7 | 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 | -9 | 9 | Human | 7.7 | pKi | = | 7.7 | 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 | -9 | 9 | Human | 7.7 | pKi | = | 7.7 | 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 | -9 | 9 | Human | 7.7 | pKi | = | 7.7 | 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 | -9 | 9 | Human | 7.7 | pKi | = | 7.7 | 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 | -9 | 9 | Human | 7.7 | pKi | = | 7.7 | 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 | -9 | 9 | Human | 7.7 | pKi | = | 7.7 | 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 | -9 | 9 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 9671109 | ||
| 132947 | 3835 | 9 | None | -22 | 9 | Human | 7.9 | pKi | = | 7.9 | 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 | 18595721 | ||
| 361 | 3835 | 9 | None | -22 | 9 | Human | 7.9 | pKi | = | 7.9 | 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 | 18595721 | ||
| CHEMBL265256 | 3835 | 9 | None | -22 | 9 | Human | 7.9 | pKi | = | 7.9 | 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 | 18595721 | ||
| 129989 | 450 | 51 | None | -1 | 9 | Human | 8.0 | pKi | = | 8 | 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 | -1 | 9 | Human | 8.0 | pKi | = | 8 | 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 | -1 | 9 | Human | 8.0 | pKi | = | 8 | 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 | -1 | 9 | Human | 8.0 | pKi | = | 8 | 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 | -1 | 9 | Human | 8.0 | pKi | = | 8 | 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 | -1 | 9 | Human | 8.0 | pKi | = | 8 | Binding | Guide to Pharmacology | 463 | 9 | 1 | 5 | 4.5 | CCN(CCCCC1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | 9671109 | ||
| 324 | 1912 | 15 | None | -1 | 9 | Human | 8.1 | pKi | = | 8.1 | 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 | -1 | 9 | Human | 8.1 | pKi | = | 8.1 | 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 | -1 | 9 | Human | 8.1 | pKi | = | 8.1 | 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 | -1 | 9 | Human | 8.1 | pKi | = | 8.1 | 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 | -1 | 9 | Human | 8.1 | pKi | = | 8.1 | 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 | -1 | 9 | Human | 8.1 | pKi | = | 8.1 | 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 | -1 | 9 | Human | 8.1 | pKi | = | 8.1 | 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 | -1 | 9 | Human | 8.1 | pKi | = | 8.1 | 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 | -1 | 9 | Human | 8.1 | pKi | = | 8.1 | 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 | ||
| 2200 | 3109 | 46 | None | -2 | 13 | Human | 8.1 | pKi | = | 8.1 | Binding | Guide to Pharmacology | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 29860464 | ||
| 328 | 3109 | 46 | None | -2 | 13 | Human | 8.1 | pKi | = | 8.1 | Binding | Guide to Pharmacology | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 29860464 | ||
| 4848 | 3109 | 46 | None | -2 | 13 | Human | 8.1 | pKi | = | 8.1 | Binding | Guide to Pharmacology | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 29860464 | ||
| CHEMBL9967 | 3109 | 46 | None | -2 | 13 | Human | 8.1 | pKi | = | 8.1 | Binding | Guide to Pharmacology | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 29860464 | ||
| DB00670 | 3109 | 46 | None | -2 | 13 | Human | 8.1 | pKi | = | 8.1 | Binding | Guide to Pharmacology | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 29860464 | ||
| 180 | 400 | 56 | None | -6 | 40 | Human | 8.1 | pKi | = | 8.1 | Binding | Guide to Pharmacology | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | 8100134 | ||
| 200 | 400 | 56 | None | -6 | 40 | Human | 8.1 | pKi | = | 8.1 | Binding | Guide to Pharmacology | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | 8100134 | ||
| 2160 | 400 | 56 | None | -6 | 40 | Human | 8.1 | pKi | = | 8.1 | Binding | Guide to Pharmacology | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | 8100134 | ||
| CHEMBL629 | 400 | 56 | None | -6 | 40 | Human | 8.1 | pKi | = | 8.1 | Binding | Guide to Pharmacology | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | 8100134 | ||
| DB00321 | 400 | 56 | None | -6 | 40 | Human | 8.1 | pKi | = | 8.1 | Binding | Guide to Pharmacology | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | 8100134 | ||
| 10894911 | 2996 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 412 | 6 | 1 | 4 | 5.3 | c1ccc(cc1)CN1CCC(CC1)CCNc1nnc2c(c1)CCCc1c2cccc1 | 27085897 | ||
| 11499 | 2996 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 412 | 6 | 1 | 4 | 5.3 | c1ccc(cc1)CN1CCC(CC1)CCNc1nnc2c(c1)CCCc1c2cccc1 | 27085897 | ||
| CHEMBL88223 | 2996 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 412 | 6 | 1 | 4 | 5.3 | c1ccc(cc1)CN1CCC(CC1)CCNc1nnc2c(c1)CCCc1c2cccc1 | 27085897 | ||
| 3042 | 1402 | 35 | None | -1 | 15 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | 29860464 | ||
| 355 | 1402 | 35 | None | -1 | 15 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | 29860464 | ||
| 868 | 1402 | 35 | None | -1 | 15 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | 29860464 | ||
| CHEMBL1123 | 1402 | 35 | None | -1 | 15 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | 29860464 | ||
| DB00804 | 1402 | 35 | None | -1 | 15 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | 29860464 | ||
| 2705 | 3813 | 64 | None | -1 | 10 | Human | 8.4 | pKi | = | 8.4 | 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 | 8.4 | pKi | = | 8.4 | 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 | 8.4 | pKi | = | 8.4 | 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 | 8.4 | pKi | = | 8.4 | 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 | 8.4 | pKi | = | 8.4 | 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 | 8.4 | pKi | = | 8.4 | 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 | 8.4 | pKi | = | 8.4 | 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 | 8.4 | pKi | = | 8.4 | 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 | 8.4 | pKi | = | 8.4 | 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 | 8.4 | pKi | = | 8.4 | 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 | ||
| 129140 | 3903 | 0 | None | 1 | 4 | Human | 8.4 | pKi | = | 8.4 | 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 | 8.4 | pKi | = | 8.4 | 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 | 8.4 | pKi | = | 8.4 | 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 | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 383 | 2 | 1 | 3 | 4.3 | CN1CCC(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1c(Cl)ccc2 | 9671109 | ||
| 324 | 1912 | 15 | None | -1 | 9 | Human | 8.4 | pKi | = | 8.4 | 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 | 29860464 | ||
| 6436265 | 1912 | 15 | None | -1 | 9 | Human | 8.4 | pKi | = | 8.4 | 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 | 29860464 | ||
| CHEMBL277642 | 1912 | 15 | None | -1 | 9 | Human | 8.4 | pKi | = | 8.4 | 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 | 29860464 | ||
| 313 | 2672 | 0 | None | 2 | 6 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | None | None | None | None | 29860464 | ||||
| 2028 | 2958 | 80 | None | -1 | 11 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | 20590605 | ||
| 2028 | 2958 | 80 | None | -1 | 11 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | 22243489 | ||
| 359 | 2958 | 80 | None | -1 | 11 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | 20590605 | ||
| 359 | 2958 | 80 | None | -1 | 11 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | 22243489 | ||
| 4634 | 2958 | 80 | None | -1 | 11 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | 20590605 | ||
| 4634 | 2958 | 80 | None | -1 | 11 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | 22243489 | ||
| CHEMBL1231 | 2958 | 80 | None | -1 | 11 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | 20590605 | ||
| CHEMBL1231 | 2958 | 80 | None | -1 | 11 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | 22243489 | ||
| DB01062 | 2958 | 80 | None | -1 | 11 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | 20590605 | ||
| DB01062 | 2958 | 80 | None | -1 | 11 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | 22243489 | ||
| 313 | 2672 | 0 | None | 2 | 6 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | None | None | None | None | 7925952 | ||||
| 313 | 2672 | 0 | None | 2 | 6 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | None | None | None | None | 9862767 | ||||
| 1734 | 116 | 10 | None | -1 | 13 | Human | 8.9 | pKi | = | 8.9 | 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 | 8.9 | pKi | = | 8.9 | 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 | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | 1994002 | ||
| 174174 | 521 | 49 | None | -2 | 14 | Human | 9.1 | pKi | = | 9.1 | 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 | 9.1 | pKi | = | 9.1 | 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 | 12049493 | ||
| 174174 | 521 | 49 | None | -2 | 14 | Human | 9.1 | pKi | = | 9.1 | 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 | ||
| 174174 | 521 | 49 | None | -2 | 14 | Human | 9.1 | pKi | = | 9.1 | 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 | 3443095 | ||
| 260 | 521 | 49 | None | -2 | 14 | Human | 9.1 | pKi | = | 9.1 | 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 | 9.1 | pKi | = | 9.1 | 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 | 12049493 | ||
| 260 | 521 | 49 | None | -2 | 14 | Human | 9.1 | pKi | = | 9.1 | 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 | 9.1 | pKi | = | 9.1 | 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 | 3443095 | ||
| 320 | 521 | 49 | None | -2 | 14 | Human | 9.1 | pKi | = | 9.1 | 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 | 9.1 | pKi | = | 9.1 | 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 | 12049493 | ||
| 320 | 521 | 49 | None | -2 | 14 | Human | 9.1 | pKi | = | 9.1 | 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 | 9.1 | pKi | = | 9.1 | 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 | 3443095 | ||
| CHEMBL517712 | 521 | 49 | None | -2 | 14 | Human | 9.1 | pKi | = | 9.1 | 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 | 9.1 | pKi | = | 9.1 | 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 | 12049493 | ||
| CHEMBL517712 | 521 | 49 | None | -2 | 14 | Human | 9.1 | pKi | = | 9.1 | 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 | 9.1 | pKi | = | 9.1 | 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 | 3443095 | ||
| DB00572 | 521 | 49 | None | -2 | 14 | Human | 9.1 | pKi | = | 9.1 | 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 | 9.1 | pKi | = | 9.1 | 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 | 12049493 | ||
| DB00572 | 521 | 49 | None | -2 | 14 | Human | 9.1 | pKi | = | 9.1 | 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 | 9.1 | pKi | = | 9.1 | 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 | 3443095 | ||
| 325 | 2049 | 0 | None | -1 | 9 | Human | 9.2 | pKi | = | 9.2 | 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 | -1 | 9 | Human | 9.2 | pKi | = | 9.2 | 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 | -1 | 9 | Human | 9.2 | pKi | = | 9.2 | 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 | -1 | 9 | Human | 9.2 | pKi | = | 9.2 | 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 | -1 | 9 | Human | 9.2 | pKi | = | 9.2 | Binding | Guide to Pharmacology | 332 | 5 | 1 | 3 | 2.9 | OCC(c1ccccc1)C(=O)OC1CC2CCC(C1)[N+]2(C)C(C)C | 11303071 | ||
| 3000322 | 3536 | 38 | None | -1 | 6 | Human | 9.3 | pKi | = | 9.3 | 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 | 12049493 | ||
| 3000322 | 3536 | 38 | None | -1 | 6 | Human | 9.3 | pKi | = | 9.3 | 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 | -1 | 6 | Human | 9.3 | pKi | = | 9.3 | 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 | 12049493 | ||
| 330 | 3536 | 38 | None | -1 | 6 | Human | 9.3 | pKi | = | 9.3 | 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 | -1 | 6 | Human | 9.3 | pKi | = | 9.3 | 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 | 12049493 | ||
| CHEMBL569713 | 3536 | 38 | None | -1 | 6 | Human | 9.3 | pKi | = | 9.3 | 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 | -1 | 6 | Human | 9.3 | pKi | = | 9.3 | 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 | 12049493 | ||
| DB00747 | 3536 | 38 | None | -1 | 6 | Human | 9.3 | pKi | = | 9.3 | 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 | ||
| 10470 | 2471 | 7 | None | 4 | 3 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | 340 | 4 | 1 | 3 | 2.7 | O=C(C(c1ccccc1)(c1ccccc1)O)OC1CCC[N+](C1)(C)C | 29860464 | ||
| 1689 | 2471 | 7 | None | 4 | 3 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | 340 | 4 | 1 | 3 | 2.7 | O=C(C(c1ccccc1)(c1ccccc1)O)OC1CCC[N+](C1)(C)C | 29860464 | ||
| 4057 | 2471 | 7 | None | 4 | 3 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | 340 | 4 | 1 | 3 | 2.7 | O=C(C(c1ccccc1)(c1ccccc1)O)OC1CCC[N+](C1)(C)C | 29860464 | ||
| CHEMBL524004 | 2471 | 7 | None | 4 | 3 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | 340 | 4 | 1 | 3 | 2.7 | O=C(C(c1ccccc1)(c1ccccc1)O)OC1CCC[N+](C1)(C)C | 29860464 | ||
| DB04843 | 2471 | 7 | None | 4 | 3 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | 340 | 4 | 1 | 3 | 2.7 | O=C(C(c1ccccc1)(c1ccccc1)O)OC1CCC[N+](C1)(C)C | 29860464 | ||
| 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 | ||
| 11693 | 1814 | 16 | None | 1 | 5 | Human | 9.6 | pKi | = | 9.6 | 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 | 9.6 | pKi | = | 9.6 | 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 | 9.6 | pKi | = | 9.6 | 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 | 9.6 | pKi | = | 9.6 | 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 | 9.6 | pKi | = | 9.6 | 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 | 9.6 | pKi | = | 9.6 | 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 | 9.6 | pKi | = | 9.6 | 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 | 9.6 | pKi | = | 9.6 | 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 | 9.6 | pKi | = | 9.6 | 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 | 9.6 | pKi | = | 9.6 | 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 | 9.6 | pKi | = | 9.6 | 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 | 9.6 | pKi | = | 9.6 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | 22854200 | ||
| 174174 | 521 | 49 | None | 1 | 14 | Rat | 9.7 | pKi | = | 9.7 | 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 | 9.7 | pKi | = | 9.7 | 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 | 9.7 | pKi | = | 9.7 | 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 | 9.7 | pKi | = | 9.7 | 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 | 9.7 | pKi | = | 9.7 | 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 | ||
| 2039 | 2961 | 19 | None | - | 1 | Human | 9.8 | pKi | = | 9.8 | Binding | Guide to Pharmacology | 348 | 8 | 1 | 3 | 3.5 | CC[N+](CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)(CC)C | 29860464 | ||
| 5749 | 2961 | 19 | None | - | 1 | Human | 9.8 | pKi | = | 9.8 | Binding | Guide to Pharmacology | 348 | 8 | 1 | 3 | 3.5 | CC[N+](CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)(CC)C | 29860464 | ||
| 7257 | 2961 | 19 | None | - | 1 | Human | 9.8 | pKi | = | 9.8 | Binding | Guide to Pharmacology | 348 | 8 | 1 | 3 | 3.5 | CC[N+](CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)(CC)C | 29860464 | ||
| CHEMBL1201286 | 2961 | 19 | None | - | 1 | Human | 9.8 | pKi | = | 9.8 | Binding | Guide to Pharmacology | 348 | 8 | 1 | 3 | 3.5 | CC[N+](CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)(CC)C | 29860464 | ||
| DB00219 | 2961 | 19 | None | - | 1 | Human | 9.8 | pKi | = | 9.8 | Binding | Guide to Pharmacology | 348 | 8 | 1 | 3 | 3.5 | CC[N+](CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)(CC)C | 29860464 | ||
| 314 | 2673 | 0 | None | -1122018 | 5 | Human | 5.0 | pKi | > | 5 | Binding | Guide to Pharmacology | None | None | None | None | 10799315 | ||||
| 3337 | 206344 | 27 | None | -190 | 41 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | ||
| 65801 | 206344 | 27 | None | -190 | 41 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | ||
| 66264 | 206344 | 27 | None | -190 | 41 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | ||
| 91452 | 206344 | 27 | None | -190 | 41 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | ||
| CHEMBL87493 | 206344 | 27 | None | -190 | 41 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | ||
| 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 | ||
| 11976 | 917 | 59 | None | -11 | 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 | -11 | 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 | -11 | 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 | -11 | 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 | ||
| 10938 | 1689 | 0 | None | -1 | 4 | Human | 4.3 | pKi | None | 4.3 | Binding | Guide to Pharmacology | 140 | 2 | 0 | 1 | 1.5 | C[N+](Cc1ccco1)(C)C | 9224827 | ||
| 299 | 1689 | 0 | None | -1 | 4 | Human | 4.3 | pKi | None | 4.3 | Binding | Guide to Pharmacology | 140 | 2 | 0 | 1 | 1.5 | C[N+](Cc1ccco1)(C)C | 9224827 | ||
| 3256 | 1689 | 0 | None | -1 | 4 | Human | 4.3 | pKi | None | 4.3 | Binding | Guide to Pharmacology | 140 | 2 | 0 | 1 | 1.5 | C[N+](Cc1ccco1)(C)C | 9224827 | ||
| CHEMBL2110739 | 1689 | 0 | None | -1 | 4 | Human | 4.3 | pKi | None | 4.3 | Binding | Guide to Pharmacology | 140 | 2 | 0 | 1 | 1.5 | C[N+](Cc1ccco1)(C)C | 9224827 | ||
| 300 | 2493 | 15 | None | -3 | 6 | Human | 4.7 | pKi | None | 4.7 | Binding | Guide to Pharmacology | 154 | 2 | 0 | 1 | 1.8 | Cc1ccc(o1)C[N+](C)(C)C | 9224827 | ||
| 4141 | 2493 | 15 | None | -3 | 6 | Human | 4.7 | pKi | None | 4.7 | Binding | Guide to Pharmacology | 154 | 2 | 0 | 1 | 1.8 | Cc1ccc(o1)C[N+](C)(C)C | 9224827 | ||
| CHEMBL92387 | 2493 | 15 | None | -3 | 6 | Human | 4.7 | pKi | None | 4.7 | Binding | Guide to Pharmacology | 154 | 2 | 0 | 1 | 1.8 | Cc1ccc(o1)C[N+](C)(C)C | 9224827 | ||
| 303 | 2957 | 17 | None | -70 | 6 | Human | 5.2 | pKi | None | 5.2 | Binding | Guide to Pharmacology | 195 | 2 | 0 | 1 | 0.3 | O=C1CCCN1CC#CC[N+](C)(C)C | 9224827 | ||
| 4629 | 2957 | 17 | None | -70 | 6 | Human | 5.2 | pKi | None | 5.2 | Binding | Guide to Pharmacology | 195 | 2 | 0 | 1 | 0.3 | O=C1CCCN1CC#CC[N+](C)(C)C | 9224827 | ||
| 8595 | 2957 | 17 | None | -70 | 6 | Human | 5.2 | pKi | None | 5.2 | Binding | Guide to Pharmacology | 195 | 2 | 0 | 1 | 0.3 | O=C1CCCN1CC#CC[N+](C)(C)C | 9224827 | ||
| CHEMBL44674 | 2957 | 17 | None | -70 | 6 | Human | 5.2 | pKi | None | 5.2 | Binding | Guide to Pharmacology | 195 | 2 | 0 | 1 | 0.3 | O=C1CCCN1CC#CC[N+](C)(C)C | 9224827 | ||
| 22991950 | 2314 | 0 | None | -5 | 6 | Human | 5.3 | pKi | None | 5.3 | 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 | -5 | 6 | Human | 5.3 | pKi | None | 5.3 | 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 | 5.5 | pKi | None | 5.5 | 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 | 5.5 | pKi | None | 5.5 | 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 | 5.5 | pKi | None | 5.5 | Binding | Guide to Pharmacology | 154 | 2 | 0 | 3 | 0.9 | CO/N=C/C1=CCCN(C1)C | 10323594 | ||
| 2229 | 463 | 22 | None | -2 | 6 | Human | 5.9 | pKi | None | 5.9 | Binding | Guide to Pharmacology | 179 | 2 | 0 | 3 | 0.4 | CN1CC(=CCC1)C(=O)OCC#C | 9224827 | ||
| 295 | 463 | 22 | None | -2 | 6 | Human | 5.9 | pKi | None | 5.9 | Binding | Guide to Pharmacology | 179 | 2 | 0 | 3 | 0.4 | CN1CC(=CCC1)C(=O)OCC#C | 9224827 | ||
| CHEMBL128365 | 463 | 22 | None | -2 | 6 | Human | 5.9 | pKi | None | 5.9 | Binding | Guide to Pharmacology | 179 | 2 | 0 | 3 | 0.4 | CN1CC(=CCC1)C(=O)OCC#C | 9224827 | ||
| 312 | 2671 | 0 | None | -3 | 2 | Human | 5.9 | pKi | None | 5.9 | Binding | Guide to Pharmacology | None | None | None | None | 12512959 | ||||
| 290 | 2456 | 6 | None | -4 | 7 | Human | 6.2 | pKi | None | 6.2 | Binding | Guide to Pharmacology | 316 | 3 | 1 | 2 | -0.4 | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] | 7680092 | ||
| 4022 | 2456 | 6 | None | -4 | 7 | Human | 6.2 | pKi | None | 6.2 | Binding | Guide to Pharmacology | 316 | 3 | 1 | 2 | -0.4 | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] | 7680092 | ||
| 5926 | 2456 | 6 | None | -4 | 7 | Human | 6.2 | pKi | None | 6.2 | Binding | Guide to Pharmacology | 316 | 3 | 1 | 2 | -0.4 | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] | 7680092 | ||
| CHEMBL40554 | 2456 | 6 | None | -4 | 7 | Human | 6.2 | pKi | None | 6.2 | Binding | Guide to Pharmacology | 316 | 3 | 1 | 2 | -0.4 | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] | 7680092 | ||
| CHEMBL74300 | 2456 | 6 | None | -4 | 7 | Human | 6.2 | pKi | None | 6.2 | Binding | Guide to Pharmacology | 316 | 3 | 1 | 2 | -0.4 | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] | 7680092 | ||
| 107867 | 2953 | 55 | None | -4 | 11 | Rat | 6.5 | pKi | None | 6.5 | Binding | Guide to Pharmacology | 421 | 6 | 1 | 5 | 3.5 | CCN(CC1CCCCN1CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | 1325587 | ||
| 309 | 2953 | 55 | None | -4 | 11 | Rat | 6.5 | pKi | None | 6.5 | Binding | Guide to Pharmacology | 421 | 6 | 1 | 5 | 3.5 | CCN(CC1CCCCN1CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | 1325587 | ||
| CHEMBL17045 | 2953 | 55 | None | -4 | 11 | Rat | 6.5 | pKi | None | 6.5 | Binding | Guide to Pharmacology | 421 | 6 | 1 | 5 | 3.5 | CCN(CC1CCCCN1CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | 1325587 | ||
| 310 | 1909 | 0 | None | -4 | 11 | Human | 7.1 | pKi | None | 7.1 | Binding | Guide to Pharmacology | 331 | 6 | 1 | 2 | 4.0 | O[Si](c1ccccc1)(C1CCCCC1)CCCN1CCCCC1 | 2704370 | ||
| 310 | 1909 | 0 | None | -4 | 11 | Human | 7.1 | pKi | None | 7.1 | Binding | Guide to Pharmacology | 331 | 6 | 1 | 2 | 4.0 | O[Si](c1ccccc1)(C1CCCCC1)CCCN1CCCCC1 | 8759038 | ||
| 3602 | 1909 | 0 | None | -4 | 11 | Human | 7.1 | pKi | None | 7.1 | Binding | Guide to Pharmacology | 331 | 6 | 1 | 2 | 4.0 | O[Si](c1ccccc1)(C1CCCCC1)CCCN1CCCCC1 | 2704370 | ||
| 3602 | 1909 | 0 | None | -4 | 11 | Human | 7.1 | pKi | None | 7.1 | Binding | Guide to Pharmacology | 331 | 6 | 1 | 2 | 4.0 | O[Si](c1ccccc1)(C1CCCCC1)CCCN1CCCCC1 | 8759038 | ||
| CHEMBL3545990 | 1909 | 0 | None | -4 | 11 | Human | 7.1 | pKi | None | 7.1 | Binding | Guide to Pharmacology | 331 | 6 | 1 | 2 | 4.0 | O[Si](c1ccccc1)(C1CCCCC1)CCCN1CCCCC1 | 2704370 | ||
| CHEMBL3545990 | 1909 | 0 | None | -4 | 11 | Human | 7.1 | pKi | None | 7.1 | 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 | ||
| 311 | 2670 | 0 | None | -2 | 2 | Human | 7.1 | pKi | None | 7.1 | Binding | Guide to Pharmacology | None | None | None | None | 12512959 | ||||
| 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 | 7.2 | pKi | None | 7.2 | 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 | 7.2 | pKi | None | 7.2 | 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 | 7.2 | pKi | None | 7.2 | 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 | 7.2 | pKi | None | 7.2 | 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 | 7.2 | pKi | None | 7.2 | Binding | Guide to Pharmacology | 193 | 2 | 0 | 4 | 0.9 | CO/N=C(/[C@H]1CN2CCC1CC2)\C#N | 10323594 | ||
| 308 | 2047 | 23 | None | -2 | 9 | Human | 7.3 | pKi | None | 7.3 | Binding | Guide to Pharmacology | 349 | 6 | 1 | 2 | 4.2 | Fc1ccc(cc1)[Si](C1CCCCC1)(CCCN1CCCCC1)O | 12049493 | ||
| 308 | 2047 | 23 | None | -2 | 9 | Human | 7.3 | pKi | None | 7.3 | Binding | Guide to Pharmacology | 349 | 6 | 1 | 2 | 4.2 | Fc1ccc(cc1)[Si](C1CCCCC1)(CCCN1CCCCC1)O | 8759038 | ||
| 3603 | 2047 | 23 | None | -2 | 9 | Human | 7.3 | pKi | None | 7.3 | Binding | Guide to Pharmacology | 349 | 6 | 1 | 2 | 4.2 | Fc1ccc(cc1)[Si](C1CCCCC1)(CCCN1CCCCC1)O | 12049493 | ||
| 3603 | 2047 | 23 | None | -2 | 9 | Human | 7.3 | pKi | None | 7.3 | Binding | Guide to Pharmacology | 349 | 6 | 1 | 2 | 4.2 | Fc1ccc(cc1)[Si](C1CCCCC1)(CCCN1CCCCC1)O | 8759038 | ||
| CHEMBL1256682 | 2047 | 23 | None | -2 | 9 | Human | 7.3 | pKi | None | 7.3 | Binding | Guide to Pharmacology | 349 | 6 | 1 | 2 | 4.2 | Fc1ccc(cc1)[Si](C1CCCCC1)(CCCN1CCCCC1)O | 12049493 | ||
| CHEMBL1256682 | 2047 | 23 | None | -2 | 9 | Human | 7.3 | pKi | None | 7.3 | Binding | Guide to Pharmacology | 349 | 6 | 1 | 2 | 4.2 | Fc1ccc(cc1)[Si](C1CCCCC1)(CCCN1CCCCC1)O | 8759038 | ||
| 10426487 | 2821 | 7 | None | -3 | 5 | Human | 7.3 | pKi | None | 7.3 | Binding | Guide to Pharmacology | 325 | 3 | 0 | 5 | 2.8 | C1CN2CCC1C(C2)c1nsnc1OCC#Cc1ccccc1 | 11504829 | ||
| 291 | 2821 | 7 | None | -3 | 5 | Human | 7.3 | pKi | None | 7.3 | Binding | Guide to Pharmacology | 325 | 3 | 0 | 5 | 2.8 | C1CN2CCC1C(C2)c1nsnc1OCC#Cc1ccccc1 | 11504829 | ||
| CHEMBL99521 | 2821 | 7 | None | -3 | 5 | Human | 7.3 | pKi | None | 7.3 | Binding | Guide to Pharmacology | 325 | 3 | 0 | 5 | 2.8 | C1CN2CCC1C(C2)c1nsnc1OCC#Cc1ccccc1 | 11504829 | ||
| 310 | 1909 | 0 | None | -10 | 11 | Rat | 7.7 | pKi | None | 7.7 | Binding | Guide to Pharmacology | 331 | 6 | 1 | 2 | 4.0 | O[Si](c1ccccc1)(C1CCCCC1)CCCN1CCCCC1 | 1325587 | ||
| 3602 | 1909 | 0 | None | -10 | 11 | Rat | 7.7 | pKi | None | 7.7 | Binding | Guide to Pharmacology | 331 | 6 | 1 | 2 | 4.0 | O[Si](c1ccccc1)(C1CCCCC1)CCCN1CCCCC1 | 1325587 | ||
| CHEMBL3545990 | 1909 | 0 | None | -10 | 11 | Rat | 7.7 | pKi | None | 7.7 | Binding | Guide to Pharmacology | 331 | 6 | 1 | 2 | 4.0 | O[Si](c1ccccc1)(C1CCCCC1)CCCN1CCCCC1 | 1325587 | ||
| 293 | 2823 | 0 | None | -3 | 5 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 572 | 6 | 0 | 10 | 3.9 | C1CN2CCC1C(C2)c1nsnc1OCC#Cc1cccc(c1)C#CCOc1nsnc1C1CN2CCC1CC2 | 11504829 | ||
| 9985526 | 2823 | 0 | None | -3 | 5 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 572 | 6 | 0 | 10 | 3.9 | C1CN2CCC1C(C2)c1nsnc1OCC#Cc1cccc(c1)C#CCOc1nsnc1C1CN2CCC1CC2 | 11504829 | ||
| 1371 | 1910 | 11 | None | -1 | 5 | Human | 8.3 | pKi | None | 8.3 | 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 | 8.3 | pKi | None | 8.3 | 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 | 8.3 | pKi | None | 8.3 | 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 | 8.3 | pKi | None | 8.3 | 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 | 8.3 | pKi | None | 8.3 | 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 | -2 | 5 | Human | 8.5 | pKi | None | 8.5 | 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 | -2 | 5 | Human | 8.5 | pKi | None | 8.5 | Binding | Guide to Pharmacology | 333 | 4 | 1 | 2 | 2.1 | C[N+]1(C)CCN(CC1)C[Si](c1ccccc1)(C1CCCCC1)O | 2704370 | ||
| 11757797 | 2822 | 0 | None | -31 | 5 | Human | 8.6 | pKi | None | 8.6 | Binding | Guide to Pharmacology | 572 | 6 | 0 | 10 | 3.9 | C1CN2CCC1C(C2)c1nsnc1OCC#Cc1ccc(cc1)C#CCOc1nsnc1C1CN2CCC1CC2 | 11504829 | ||
| 292 | 2822 | 0 | None | -31 | 5 | Human | 8.6 | pKi | None | 8.6 | Binding | Guide to Pharmacology | 572 | 6 | 0 | 10 | 3.9 | C1CN2CCC1C(C2)c1nsnc1OCC#Cc1ccc(cc1)C#CCOc1nsnc1C1CN2CCC1CC2 | 11504829 | ||
| 10062394 | 3025 | 1 | None | 1 | 4 | Human | 8.7 | pKi | None | 8.7 | Binding | Guide to Pharmacology | 283 | 6 | 0 | 5 | 3.5 | CCCCCSc1nsnc1C1=CCCN(C1)C | 9224827 | ||
| 304 | 3025 | 1 | None | 1 | 4 | Human | 8.7 | pKi | None | 8.7 | Binding | Guide to Pharmacology | 283 | 6 | 0 | 5 | 3.5 | CCCCCSc1nsnc1C1=CCCN(C1)C | 9224827 | ||
| CHEMBL130715 | 3025 | 1 | None | 1 | 4 | Human | 8.7 | pKi | None | 8.7 | Binding | Guide to Pharmacology | 283 | 6 | 0 | 5 | 3.5 | CCCCCSc1nsnc1C1=CCCN(C1)C | 9224827 | ||
| 1734 | 116 | 10 | None | -3 | 13 | Rat | 9.1 | pKi | None | 9.1 | 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 | -3 | 13 | Rat | 9.1 | pKi | None | 9.1 | 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 | -3 | 13 | Rat | 9.1 | pKi | None | 9.1 | Binding | Guide to Pharmacology | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | 1325587 | ||