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 |
| 168278159 | 190336 | 0 | None | 23 | 4 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 839 | 15 | 5 | 15 | 6.6 | Nc1sc(-c2ccc(-c3cn(CCCCCCNc4ncnc5c4ncn5[C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)nn3)cc2)c(-c2cccc(C(F)(F)F)c2)c1C(=O)c1ccccc1 | 10.1021/acs.jmedchem.2c00320 | ||
| CHEMBL5177040 | 190336 | 0 | None | 23 | 4 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 839 | 15 | 5 | 15 | 6.6 | Nc1sc(-c2ccc(-c3cn(CCCCCCNc4ncnc5c4ncn5[C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)nn3)cc2)c(-c2cccc(C(F)(F)F)c2)c1C(=O)c1ccccc1 | 10.1021/acs.jmedchem.2c00320 | ||
| 168278159 | 190336 | 0 | None | 23 | 4 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 839 | 15 | 5 | 15 | 6.6 | Nc1sc(-c2ccc(-c3cn(CCCCCCNc4ncnc5c4ncn5[C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)nn3)cc2)c(-c2cccc(C(F)(F)F)c2)c1C(=O)c1ccccc1 | 10.1021/acs.jmedchem.2c00320 | ||
| CHEMBL5177040 | 190336 | 0 | None | 23 | 4 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 839 | 15 | 5 | 15 | 6.6 | Nc1sc(-c2ccc(-c3cn(CCCCCCNc4ncnc5c4ncn5[C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)nn3)cc2)c(-c2cccc(C(F)(F)F)c2)c1C(=O)c1ccccc1 | 10.1021/acs.jmedchem.2c00320 | ||
| 9975036 | 16296 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 348 | 4 | 3 | 7 | 2.8 | N#Cc1c(N)nc(SCc2ncc[nH]2)c(C#N)c1-c1cccc(O)c1 | 10.1021/acs.jmedchem.6b00552 | ||
| CHEMBL122806 | 16296 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 348 | 4 | 3 | 7 | 2.8 | N#Cc1c(N)nc(SCc2ncc[nH]2)c(C#N)c1-c1cccc(O)c1 | 10.1021/acs.jmedchem.6b00552 | ||
| 9975036 | 16296 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 348 | 4 | 3 | 7 | 2.8 | N#Cc1c(N)nc(SCc2ncc[nH]2)c(C#N)c1-c1cccc(O)c1 | 10.1021/jm049947s | ||
| CHEMBL122806 | 16296 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 348 | 4 | 3 | 7 | 2.8 | N#Cc1c(N)nc(SCc2ncc[nH]2)c(C#N)c1-c1cccc(O)c1 | 10.1021/jm049947s | ||
| 71657835 | 159713 | 3 | None | -1 | 4 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 815 | 15 | 6 | 13 | 6.1 | Nc1sc(-c2ccc(C(=O)NCCCCCCNc3ncnc4c3ncn4[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)cc2)c(-c2cccc(C(F)(F)F)c2)c1C(=O)c1ccccc1 | 10.1021/acs.jmedchem.2c00320 | ||
| CHEMBL4104819 | 159713 | 3 | None | -1 | 4 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 815 | 15 | 6 | 13 | 6.1 | Nc1sc(-c2ccc(C(=O)NCCCCCCNc3ncnc4c3ncn4[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)cc2)c(-c2cccc(C(F)(F)F)c2)c1C(=O)c1ccccc1 | 10.1021/acs.jmedchem.2c00320 | ||
| 44423814 | 142073 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 611 | 9 | 5 | 11 | 2.1 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(Nc4ccc(OCC(=O)Nc5ccc(Br)cc5)cc4)ncnc32)[C@H](O)[C@@H]1O | 10.1016/j.bmc.2007.01.055 | ||
| CHEMBL388193 | 142073 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 611 | 9 | 5 | 11 | 2.1 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(Nc4ccc(OCC(=O)Nc5ccc(Br)cc5)cc4)ncnc32)[C@H](O)[C@@H]1O | 10.1016/j.bmc.2007.01.055 | ||
| 9869857 | 66800 | 11 | None | -213 | 5 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 482 | 8 | 5 | 14 | -0.6 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(N)nc(N[C@H](CO)Cc5ccccc5)nc43)[C@H](O)[C@@H]2O)n1 | 10.1021/jm031143+ | ||
| CHEMBL186113 | 66800 | 11 | None | -213 | 5 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 482 | 8 | 5 | 14 | -0.6 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(N)nc(N[C@H](CO)Cc5ccccc5)nc43)[C@H](O)[C@@H]2O)n1 | 10.1021/jm031143+ | ||
| 49870952 | 58790 | 0 | None | -831 | 2 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 333 | 3 | 3 | 8 | 0.9 | CCCCC#Cc1nc(N)c2ncn([C@@H]3SC[C@@H](O)[C@H]3O)c2n1 | 10.1021/ml1001823 | ||
| CHEMBL1688378 | 58790 | 0 | None | -831 | 2 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 333 | 3 | 3 | 8 | 0.9 | CCCCC#Cc1nc(N)c2ncn([C@@H]3SC[C@@H](O)[C@H]3O)c2n1 | 10.1021/ml1001823 | ||
| 219024 | 3275 | 65 | None | -51 | 5 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 390 | 4 | 5 | 12 | -2.4 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(nc2N)n1ncc(c1)C(=O)NC | 10.1021/jm4011669 | ||
| 2362 | 3275 | 65 | None | -51 | 5 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 390 | 4 | 5 | 12 | -2.4 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(nc2N)n1ncc(c1)C(=O)NC | 10.1021/jm4011669 | ||
| 5596 | 3275 | 65 | None | -51 | 5 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 390 | 4 | 5 | 12 | -2.4 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(nc2N)n1ncc(c1)C(=O)NC | 10.1021/jm4011669 | ||
| CHEMBL317052 | 3275 | 65 | None | -51 | 5 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 390 | 4 | 5 | 12 | -2.4 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(nc2N)n1ncc(c1)C(=O)NC | 10.1021/jm4011669 | ||
| DB06213 | 3275 | 65 | None | -51 | 5 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 390 | 4 | 5 | 12 | -2.4 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(nc2N)n1ncc(c1)C(=O)NC | 10.1021/jm4011669 | ||
| 9910098 | 70654 | 31 | None | - | 1 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 421 | 6 | 4 | 10 | 0.3 | Nc1nc(OCCc2ccc(Cl)cc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O | 10.1021/jm4011669 | ||
| CHEMBL1950553 | 70654 | 31 | None | - | 1 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 421 | 6 | 4 | 10 | 0.3 | Nc1nc(OCCc2ccc(Cl)cc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O | 10.1021/jm4011669 | ||
| 118732976 | 118491 | 0 | None | -213 | 4 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 427 | 5 | 3 | 12 | 0.4 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(N[C@H]5C[C@@H]6CC[C@@H]5C6)ncnc43)[C@H](O)[C@@H]2O)n1 | 10.1021/acs.jmedchem.5b00074 | ||
| CHEMBL3414942 | 118491 | 0 | None | -213 | 4 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 427 | 5 | 3 | 12 | 0.4 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(N[C@H]5C[C@@H]6CC[C@@H]5C6)ncnc43)[C@H](O)[C@@H]2O)n1 | 10.1021/acs.jmedchem.5b00074 | ||
| 377 | 2738 | 53 | None | -48 | 10 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/jm049947s | ||
| 425 | 2738 | 53 | None | -48 | 10 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/jm049947s | ||
| 448222 | 2738 | 53 | None | -48 | 10 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/jm049947s | ||
| CHEMBL464859 | 2738 | 53 | None | -48 | 10 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/jm049947s | ||
| 44423816 | 85189 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 601 | 9 | 5 | 11 | 2.4 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(Nc4ccc(OCC(=O)Nc5ccccc5C(F)(F)F)cc4)ncnc32)[C@H](O)[C@@H]1O | 10.1016/j.bmc.2007.01.055 | ||
| CHEMBL225579 | 85189 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 601 | 9 | 5 | 11 | 2.4 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(Nc4ccc(OCC(=O)Nc5ccccc5C(F)(F)F)cc4)ncnc32)[C@H](O)[C@@H]1O | 10.1016/j.bmc.2007.01.055 | ||
| 16203542 | 85169 | 0 | None | -3 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 504 | 6 | 5 | 10 | 0.9 | Nc1nc(OCCc2c[nH]c3cc(Br)ccc23)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O | 10.1021/jm061278q | ||
| CHEMBL225459 | 85169 | 0 | None | -3 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 504 | 6 | 5 | 10 | 0.9 | Nc1nc(OCCc2c[nH]c3cc(Br)ccc23)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O | 10.1021/jm061278q | ||
| 145965471 | 164152 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 376 | 6 | 2 | 7 | 3.5 | CCOc1ccc(-c2c(C#N)c(N)nc(SCc3ncc[nH]3)c2C#N)cc1 | 10.1016/j.ejmech.2018.02.081 | ||
| CHEMBL4210592 | 164152 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 376 | 6 | 2 | 7 | 3.5 | CCOc1ccc(-c2c(C#N)c(N)nc(SCc3ncc[nH]3)c2C#N)cc1 | 10.1016/j.ejmech.2018.02.081 | ||
| 377 | 2738 | 53 | None | -48 | 10 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/jm061278q | ||
| 425 | 2738 | 53 | None | -48 | 10 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/jm061278q | ||
| 448222 | 2738 | 53 | None | -48 | 10 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/jm061278q | ||
| CHEMBL464859 | 2738 | 53 | None | -48 | 10 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/jm061278q | ||
| 137659441 | 159075 | 0 | None | -87 | 4 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 441 | 6 | 3 | 12 | 0.6 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(NCc5cccc(F)c5)ncnc43)[C@H](O)[C@@H]2O)n1 | 10.1021/acs.jmedchem.7b00291 | ||
| CHEMBL4097468 | 159075 | 0 | None | -87 | 4 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 441 | 6 | 3 | 12 | 0.6 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(NCc5cccc(F)c5)ncnc43)[C@H](O)[C@@H]2O)n1 | 10.1021/acs.jmedchem.7b00291 | ||
| 123683 | 3099 | 63 | None | -1258 | 5 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 510 | 5 | 4 | 9 | 0.4 | CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NCc1cccc(c1)I | 10.1021/jm9804984 | ||
| 422 | 3099 | 63 | None | -1258 | 5 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 510 | 5 | 4 | 9 | 0.4 | CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NCc1cccc(c1)I | 10.1021/jm9804984 | ||
| CHEMBL119709 | 3099 | 63 | None | -1258 | 5 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 510 | 5 | 4 | 9 | 0.4 | CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NCc1cccc(c1)I | 10.1021/jm9804984 | ||
| DB05511 | 3099 | 63 | None | -1258 | 5 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 510 | 5 | 4 | 9 | 0.4 | CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NCc1cccc(c1)I | 10.1021/jm9804984 | ||
| 118732981 | 118496 | 0 | None | -38 | 4 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 495 | 5 | 3 | 12 | 2.0 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(Nc5ccc(Cl)cc5F)nc(Cl)nc43)[C@H](O)[C@@H]2O)n1 | 10.1021/acs.jmedchem.5b00074 | ||
| CHEMBL3414947 | 118496 | 0 | None | -38 | 4 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 495 | 5 | 3 | 12 | 2.0 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(Nc5ccc(Cl)cc5F)nc(Cl)nc43)[C@H](O)[C@@H]2O)n1 | 10.1021/acs.jmedchem.5b00074 | ||
| 11352497 | 122941 | 0 | None | -416 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 498 | 8 | 6 | 15 | -0.9 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(N)nc(N[C@H](CO)Cc5ccc(O)cc5)nc43)[C@H](O)[C@@H]2O)n1 | 10.1021/jm031143+ | ||
| CHEMBL360837 | 122941 | 0 | None | -416 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 498 | 8 | 6 | 15 | -0.9 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(N)nc(N[C@H](CO)Cc5ccc(O)cc5)nc43)[C@H](O)[C@@H]2O)n1 | 10.1021/jm031143+ | ||
| 118732975 | 118490 | 0 | None | -173 | 4 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 407 | 5 | 3 | 12 | 0.1 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(NC5CC5)nc(Cl)nc43)[C@H](O)[C@@H]2O)n1 | 10.1021/acs.jmedchem.5b00074 | ||
| CHEMBL3414941 | 118490 | 0 | None | -173 | 4 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 407 | 5 | 3 | 12 | 0.1 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(NC5CC5)nc(Cl)nc43)[C@H](O)[C@@H]2O)n1 | 10.1021/acs.jmedchem.5b00074 | ||
| 132991435 | 180774 | 0 | None | -123 | 4 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 558 | 8 | 5 | 12 | 0.8 | O=C(NCc1ccc(Nc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1)c1ccc(S(=O)(=O)F)cc1 | 10.1021/acs.jmedchem.6b01561 | ||
| CHEMBL4756472 | 180774 | 0 | None | -123 | 4 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 558 | 8 | 5 | 12 | 0.8 | O=C(NCc1ccc(Nc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1)c1ccc(S(=O)(=O)F)cc1 | 10.1021/acs.jmedchem.6b01561 | ||
| 57388054 | 75454 | 0 | None | -17 | 4 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 607 | 12 | 5 | 10 | 3.5 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(NCCc4ccccc4)nc32)[C@H](O)[C@@H]1O | 10.1021/jm300206u | ||
| CHEMBL2042305 | 75454 | 0 | None | -17 | 4 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 607 | 12 | 5 | 10 | 3.5 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(NCCc4ccccc4)nc32)[C@H](O)[C@@H]1O | 10.1021/jm300206u | ||
| 135543624 | 16277 | 28 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 348 | 4 | 3 | 7 | 2.8 | N#Cc1c(N)nc(SCc2ncc[nH]2)c(C#N)c1-c1ccc(O)cc1 | 10.1021/jm049947s | ||
| CHEMBL122622 | 16277 | 28 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 348 | 4 | 3 | 7 | 2.8 | N#Cc1c(N)nc(SCc2ncc[nH]2)c(C#N)c1-c1ccc(O)cc1 | 10.1021/jm049947s | ||
| 377 | 2738 | 53 | None | -48 | 10 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/acs.jmedchem.2c00320 | ||
| 425 | 2738 | 53 | None | -48 | 10 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/acs.jmedchem.2c00320 | ||
| 448222 | 2738 | 53 | None | -48 | 10 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/acs.jmedchem.2c00320 | ||
| CHEMBL464859 | 2738 | 53 | None | -48 | 10 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/acs.jmedchem.2c00320 | ||
| 44423813 | 168725 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 567 | 9 | 5 | 11 | 2.0 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(Nc4ccc(OCC(=O)Nc5ccc(Cl)cc5)cc4)ncnc32)[C@H](O)[C@@H]1O | 10.1016/j.bmc.2007.01.055 | ||
| CHEMBL437168 | 168725 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 567 | 9 | 5 | 11 | 2.0 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(Nc4ccc(OCC(=O)Nc5ccc(Cl)cc5)cc4)ncnc32)[C@H](O)[C@@H]1O | 10.1016/j.bmc.2007.01.055 | ||
| 145974358 | 164465 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 455 | 8 | 2 | 7 | 4.3 | N#Cc1c(N)nc(SCc2cccc(C(N)=O)c2)c(C#N)c1-c1ccc(OCC2CC2)cc1 | 10.1016/j.ejmech.2018.02.081 | ||
| CHEMBL4214347 | 164465 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 455 | 8 | 2 | 7 | 4.3 | N#Cc1c(N)nc(SCc2cccc(C(N)=O)c2)c(C#N)c1-c1ccc(OCC2CC2)cc1 | 10.1016/j.ejmech.2018.02.081 | ||
| 57387596 | 75460 | 0 | None | -60 | 4 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 492 | 7 | 4 | 9 | 1.6 | CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(F)nc32)[C@H](O)[C@@H]1O | 10.1021/jm300206u | ||
| CHEMBL2042311 | 75460 | 0 | None | -60 | 4 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 492 | 7 | 4 | 9 | 1.6 | CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(F)nc32)[C@H](O)[C@@H]1O | 10.1021/jm300206u | ||
| 11386951 | 66855 | 0 | None | -389 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 527 | 9 | 5 | 16 | -0.7 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(N)nc(N[C@H](CO)Cc5ccc([N+](=O)[O-])cc5)nc43)[C@H](O)[C@@H]2O)n1 | 10.1021/jm031143+ | ||
| CHEMBL186403 | 66855 | 0 | None | -389 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 527 | 9 | 5 | 16 | -0.7 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(N)nc(N[C@H](CO)Cc5ccc([N+](=O)[O-])cc5)nc43)[C@H](O)[C@@H]2O)n1 | 10.1021/jm031143+ | ||
| 57385043 | 75459 | 0 | None | -134 | 4 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 810 | 18 | 6 | 13 | 6.1 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(NCCc4ccc(NC(=O)CCCC[C@H]5CCSS5)cc4)nc32)[C@H](O)[C@@H]1O | 10.1021/jm300206u | ||
| CHEMBL2042310 | 75459 | 0 | None | -134 | 4 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 810 | 18 | 6 | 13 | 6.1 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(NCCc4ccc(NC(=O)CCCC[C@H]5CCSS5)cc4)nc32)[C@H](O)[C@@H]1O | 10.1021/jm300206u | ||
| 76329266 | 106035 | 0 | None | -3 | 4 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 399 | 5 | 5 | 10 | -0.6 | CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4ccccc4)nc(N)nc32)[C@H](O)[C@@H]1O | 10.1039/C3MD00364G | ||
| CHEMBL3133160 | 106035 | 0 | None | -3 | 4 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 399 | 5 | 5 | 10 | -0.6 | CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4ccccc4)nc(N)nc32)[C@H](O)[C@@H]1O | 10.1039/C3MD00364G | ||
| 16203665 | 136653 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 456 | 7 | 5 | 11 | 0.1 | COc1ccc2[nH]cc(CCOc3nc(N)c4ncn([C@@H]5O[C@H](CO)[C@@H](O)[C@H]5O)c4n3)c2c1 | 10.1021/jm061278q | ||
| CHEMBL374028 | 136653 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 456 | 7 | 5 | 11 | 0.1 | COc1ccc2[nH]cc(CCOc3nc(N)c4ncn([C@@H]5O[C@H](CO)[C@@H](O)[C@H]5O)c4n3)c2c1 | 10.1021/jm061278q | ||
| 76311197 | 106031 | 0 | None | -31 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 365 | 6 | 5 | 10 | -1.0 | CCCCNc1nc(N)nc2c1ncn2[C@@H]1O[C@H](C(=O)NC)[C@@H](O)[C@H]1O | 10.1039/C3MD00364G | ||
| CHEMBL3133156 | 106031 | 0 | None | -31 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 365 | 6 | 5 | 10 | -1.0 | CCCCNc1nc(N)nc2c1ncn2[C@@H]1O[C@H](C(=O)NC)[C@@H](O)[C@H]1O | 10.1039/C3MD00364G | ||
| 168282699 | 190994 | 0 | None | -12022 | 3 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 427 | 6 | 4 | 10 | 0.9 | OC[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCC[C@H]4Oc4ccccc4)ncnc32)[C@H](O)[C@@H]1O | 10.1021/acs.jmedchem.2c01414 | ||
| CHEMBL5186757 | 190994 | 0 | None | -12022 | 3 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 427 | 6 | 4 | 10 | 0.9 | OC[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCC[C@H]4Oc4ccccc4)ncnc32)[C@H](O)[C@@H]1O | 10.1021/acs.jmedchem.2c01414 | ||
| 57387824 | 75448 | 0 | None | -8 | 4 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 442 | 7 | 6 | 11 | -0.6 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(NCCc4ccc(N)cc4)nc32)[C@H](O)[C@@H]1O | 10.1021/jm300206u | ||
| CHEMBL2042299 | 75448 | 0 | None | -8 | 4 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 442 | 7 | 6 | 11 | -0.6 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(NCCc4ccc(N)cc4)nc32)[C@H](O)[C@@H]1O | 10.1021/jm300206u | ||
| 16203542 | 85169 | 0 | None | -3 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 504 | 6 | 5 | 10 | 0.9 | Nc1nc(OCCc2c[nH]c3cc(Br)ccc23)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O | 10.1021/jm061278q | ||
| CHEMBL225459 | 85169 | 0 | None | -3 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 504 | 6 | 5 | 10 | 0.9 | Nc1nc(OCCc2c[nH]c3cc(Br)ccc23)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O | 10.1021/jm061278q | ||
| 137651756 | 157462 | 0 | None | -91 | 2 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 355 | 4 | 3 | 9 | -0.1 | O[C@@H]1[C@@H](CCl)O[C@@H](n2cnc3c(N[C@@H]4CCOC4)ncnc32)[C@@H]1O | 10.1021/acs.jmedchem.7b01399 | ||
| CHEMBL4079464 | 157462 | 0 | None | -91 | 2 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 355 | 4 | 3 | 9 | -0.1 | O[C@@H]1[C@@H](CCl)O[C@@H](n2cnc3c(N[C@@H]4CCOC4)ncnc32)[C@@H]1O | 10.1021/acs.jmedchem.7b01399 | ||
| 137657841 | 159546 | 0 | None | -50 | 4 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 475 | 6 | 3 | 12 | 1.2 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(NCc5ccc(Cl)cc5F)ncnc43)[C@H](O)[C@@H]2O)n1 | 10.1021/acs.jmedchem.7b00291 | ||
| CHEMBL4102750 | 159546 | 0 | None | -50 | 4 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 475 | 6 | 3 | 12 | 1.2 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(NCc5ccc(Cl)cc5F)ncnc43)[C@H](O)[C@@H]2O)n1 | 10.1021/acs.jmedchem.7b00291 | ||
| 9869857 | 66800 | 11 | None | -213 | 5 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 482 | 8 | 5 | 14 | -0.6 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(N)nc(N[C@H](CO)Cc5ccccc5)nc43)[C@H](O)[C@@H]2O)n1 | 10.1021/jm4011669 | ||
| CHEMBL186113 | 66800 | 11 | None | -213 | 5 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 482 | 8 | 5 | 14 | -0.6 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(N)nc(N[C@H](CO)Cc5ccccc5)nc43)[C@H](O)[C@@H]2O)n1 | 10.1021/jm4011669 | ||
| 11352497 | 122941 | 0 | None | -416 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 498 | 8 | 6 | 15 | -0.9 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(N)nc(N[C@H](CO)Cc5ccc(O)cc5)nc43)[C@H](O)[C@@H]2O)n1 | 10.1021/jm031143+ | ||
| CHEMBL360837 | 122941 | 0 | None | -416 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 498 | 8 | 6 | 15 | -0.9 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(N)nc(N[C@H](CO)Cc5ccc(O)cc5)nc43)[C@H](O)[C@@H]2O)n1 | 10.1021/jm031143+ | ||
| 11157262 | 123614 | 0 | None | -537 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 560 | 8 | 5 | 14 | 0.2 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(N)nc(N[C@H](CO)Cc5ccc(Br)cc5)nc43)[C@H](O)[C@@H]2O)n1 | 10.1021/jm031143+ | ||
| CHEMBL361925 | 123614 | 0 | None | -537 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 560 | 8 | 5 | 14 | 0.2 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(N)nc(N[C@H](CO)Cc5ccc(Br)cc5)nc43)[C@H](O)[C@@H]2O)n1 | 10.1021/jm031143+ | ||
| 71459958 | 79190 | 0 | None | - | 1 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 336 | 3 | 4 | 9 | -0.9 | Nc1ncnc2c1ncn2[C@@H]1O[C@H](C(=S)NC2CC2)[C@@H](O)[C@H]1O | 10.1021/jm9804984 | ||
| CHEMBL2113421 | 79190 | 0 | None | - | 1 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 336 | 3 | 4 | 9 | -0.9 | Nc1ncnc2c1ncn2[C@@H]1O[C@H](C(=S)NC2CC2)[C@@H](O)[C@H]1O | 10.1021/jm9804984 | ||
| 118732978 | 118493 | 0 | None | -154 | 4 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 403 | 5 | 3 | 13 | -0.6 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(NC5CCCO5)ncnc43)[C@H](O)[C@@H]2O)n1 | 10.1021/acs.jmedchem.5b00074 | ||
| CHEMBL3414944 | 118493 | 0 | None | -154 | 4 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 403 | 5 | 3 | 13 | -0.6 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(NC5CCCO5)ncnc43)[C@H](O)[C@@H]2O)n1 | 10.1021/acs.jmedchem.5b00074 | ||
| 145977469 | 163968 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 402 | 7 | 2 | 7 | 3.9 | N#Cc1c(N)nc(SCc2cnc[nH]2)c(C#N)c1-c1ccc(OCC2CC2)cc1 | 10.1016/j.ejmech.2018.02.081 | ||
| CHEMBL4208189 | 163968 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 402 | 7 | 2 | 7 | 3.9 | N#Cc1c(N)nc(SCc2cnc[nH]2)c(C#N)c1-c1ccc(OCC2CC2)cc1 | 10.1016/j.ejmech.2018.02.081 | ||
| 57387594 | 75453 | 0 | None | -16 | 4 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 506 | 8 | 4 | 9 | 2.0 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(F)nc32)[C@H](O)[C@@H]1O | 10.1021/jm300206u | ||
| CHEMBL2042304 | 75453 | 0 | None | -16 | 4 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 506 | 8 | 4 | 9 | 2.0 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(F)nc32)[C@H](O)[C@@H]1O | 10.1021/jm300206u | ||
| 377 | 2738 | 53 | None | -48 | 10 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/jm061278q | ||
| 425 | 2738 | 53 | None | -48 | 10 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/jm061278q | ||
| 448222 | 2738 | 53 | None | -48 | 10 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/jm061278q | ||
| CHEMBL464859 | 2738 | 53 | None | -48 | 10 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/jm061278q | ||
| 24827417 | 96318 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 729 | 12 | 6 | 12 | 4.1 | O=C(COc1ccc(Nc2nc(OCCc3c[nH]c4cc(Br)ccc34)nc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1)Nc1ccccc1 | 10.1021/jm701442d | ||
| CHEMBL261546 | 96318 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 729 | 12 | 6 | 12 | 4.1 | O=C(COc1ccc(Nc2nc(OCCc3c[nH]c4cc(Br)ccc34)nc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1)Nc1ccccc1 | 10.1021/jm701442d | ||
| 9954747 | 137086 | 15 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 437 | 6 | 4 | 10 | 0.8 | Nc1nc(OCCc2ccc3ccccc3c2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O | 10.1021/jm061278q | ||
| CHEMBL374760 | 137086 | 15 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 437 | 6 | 4 | 10 | 0.8 | Nc1nc(OCCc2ccc3ccccc3c2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O | 10.1021/jm061278q | ||
| 149362 | 75447 | 6 | None | -12 | 4 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 427 | 7 | 5 | 10 | -0.2 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(NCCc4ccccc4)nc32)[C@H](O)[C@@H]1O | 10.1021/jm300206u | ||
| CHEMBL2042298 | 75447 | 6 | None | -12 | 4 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 427 | 7 | 5 | 10 | -0.2 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(NCCc4ccccc4)nc32)[C@H](O)[C@@H]1O | 10.1021/jm300206u | ||
| 168290627 | 191979 | 0 | None | 3 | 4 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 859 | 11 | 6 | 13 | 6.6 | Nc1sc(-c2ccc(C(=O)NCCC#Cc3ccc(Nc4ncnc5c4ncn5[C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)cc3)cc2)c(-c2cccc(C(F)(F)F)c2)c1C(=O)c1ccccc1 | 10.1021/acs.jmedchem.2c00320 | ||
| CHEMBL5201533 | 191979 | 0 | None | 3 | 4 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 859 | 11 | 6 | 13 | 6.6 | Nc1sc(-c2ccc(C(=O)NCCC#Cc3ccc(Nc4ncnc5c4ncn5[C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)cc3)cc2)c(-c2cccc(C(F)(F)F)c2)c1C(=O)c1ccccc1 | 10.1021/acs.jmedchem.2c00320 | ||
| 137656845 | 159772 | 0 | None | 1 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 800 | 15 | 5 | 12 | 6.5 | O=C(NCCCCCCNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)c1ccc(-c2scc(C(=O)c3ccccc3)c2-c2cccc(C(F)(F)F)c2)cc1 | 10.1021/acs.jmedchem.8b00047 | ||
| CHEMBL4105473 | 159772 | 0 | None | 1 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 800 | 15 | 5 | 12 | 6.5 | O=C(NCCCCCCNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)c1ccc(-c2scc(C(=O)c3ccccc3)c2-c2cccc(C(F)(F)F)c2)cc1 | 10.1021/acs.jmedchem.8b00047 | ||
| 118732972 | 118487 | 0 | None | -234 | 4 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 347 | 4 | 3 | 12 | -1.1 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(NC)ncnc43)[C@H](O)[C@@H]2O)n1 | 10.1021/acs.jmedchem.5b00074 | ||
| CHEMBL3414938 | 118487 | 0 | None | -234 | 4 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 347 | 4 | 3 | 12 | -1.1 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(NC)ncnc43)[C@H](O)[C@@H]2O)n1 | 10.1021/acs.jmedchem.5b00074 | ||
| 57384287 | 75450 | 0 | None | -33 | 4 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 658 | 9 | 6 | 11 | 3.7 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(NCCc4ccc(NC(=O)c5cc(C(C)(C)C)cc(C(C)(C)C)c5)cc4)nc32)[C@H](O)[C@@H]1O | 10.1021/jm300206u | ||
| CHEMBL2042301 | 75450 | 0 | None | -33 | 4 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 658 | 9 | 6 | 11 | 3.7 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(NCCc4ccc(NC(=O)c5cc(C(C)(C)C)cc(C(C)(C)C)c5)cc4)nc32)[C@H](O)[C@@H]1O | 10.1021/jm300206u | ||
| 11776764 | 7867 | 15 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 248 | 2 | 1 | 8 | 1.1 | CSc1nc(N)n2nc(-c3ccco3)nc2n1 | 10.1016/j.bmc.2010.02.039 | ||
| CHEMBL1090123 | 7867 | 15 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 248 | 2 | 1 | 8 | 1.1 | CSc1nc(N)n2nc(-c3ccco3)nc2n1 | 10.1016/j.bmc.2010.02.039 | ||
| 44423812 | 85343 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 551 | 9 | 5 | 11 | 1.5 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(Nc4ccc(OCC(=O)Nc5ccc(F)cc5)cc4)ncnc32)[C@H](O)[C@@H]1O | 10.1016/j.bmc.2007.01.055 | ||
| CHEMBL226194 | 85343 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 551 | 9 | 5 | 11 | 1.5 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(Nc4ccc(OCC(=O)Nc5ccc(F)cc5)cc4)ncnc32)[C@H](O)[C@@H]1O | 10.1016/j.bmc.2007.01.055 | ||
| 377 | 2738 | 53 | None | -48 | 10 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/acs.jmedchem.8b00047 | ||
| 425 | 2738 | 53 | None | -48 | 10 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/acs.jmedchem.8b00047 | ||
| 448222 | 2738 | 53 | None | -48 | 10 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/acs.jmedchem.8b00047 | ||
| CHEMBL464859 | 2738 | 53 | None | -48 | 10 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/acs.jmedchem.8b00047 | ||
| 44423824 | 137560 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 547 | 10 | 5 | 11 | 1.0 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(Nc4ccc(OCC(=O)NCc5ccccc5)cc4)ncnc32)[C@H](O)[C@@H]1O | 10.1016/j.bmc.2007.01.055 | ||
| CHEMBL375501 | 137560 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 547 | 10 | 5 | 11 | 1.0 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(Nc4ccc(OCC(=O)NCc5ccccc5)cc4)ncnc32)[C@H](O)[C@@H]1O | 10.1016/j.bmc.2007.01.055 | ||
| 377 | 2738 | 53 | None | -48 | 10 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/acs.jmedchem.7b00457 | ||
| 425 | 2738 | 53 | None | -48 | 10 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/acs.jmedchem.7b00457 | ||
| 448222 | 2738 | 53 | None | -48 | 10 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/acs.jmedchem.7b00457 | ||
| CHEMBL464859 | 2738 | 53 | None | -48 | 10 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/acs.jmedchem.7b00457 | ||
| 377 | 2738 | 53 | None | -48 | 10 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1016/j.bmc.2007.01.055 | ||
| 425 | 2738 | 53 | None | -48 | 10 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1016/j.bmc.2007.01.055 | ||
| 448222 | 2738 | 53 | None | -48 | 10 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1016/j.bmc.2007.01.055 | ||
| CHEMBL464859 | 2738 | 53 | None | -48 | 10 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1016/j.bmc.2007.01.055 | ||
| 137649841 | 157406 | 0 | None | -1 | 4 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 656 | 14 | 5 | 12 | 3.8 | O=C(NCCCCCCNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)c1cccc(-c2cc(C(=O)c3ccccc3)cs2)c1 | 10.1021/acs.jmedchem.8b00047 | ||
| CHEMBL4078771 | 157406 | 0 | None | -1 | 4 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 656 | 14 | 5 | 12 | 3.8 | O=C(NCCCCCCNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)c1cccc(-c2cc(C(=O)c3ccccc3)cs2)c1 | 10.1021/acs.jmedchem.8b00047 | ||
| 76311194 | 106019 | 0 | None | -100 | 4 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 525 | 5 | 5 | 10 | -0.0 | CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)nc(N)nc32)[C@H](O)[C@@H]1O | 10.1039/C3MD00364G | ||
| CHEMBL3133078 | 106019 | 0 | None | -100 | 4 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 525 | 5 | 5 | 10 | -0.0 | CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)nc(N)nc32)[C@H](O)[C@@H]1O | 10.1039/C3MD00364G | ||
| 76329263 | 106020 | 0 | None | -39 | 4 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 413 | 6 | 5 | 10 | -0.6 | CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCCc4ccccc4)nc(N)nc32)[C@H](O)[C@@H]1O | 10.1039/C3MD00364G | ||
| CHEMBL3133079 | 106020 | 0 | None | -39 | 4 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 413 | 6 | 5 | 10 | -0.6 | CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCCc4ccccc4)nc(N)nc32)[C@H](O)[C@@H]1O | 10.1039/C3MD00364G | ||
| 76332919 | 106028 | 0 | None | -316 | 3 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 323 | 3 | 5 | 10 | -2.2 | CNC(=O)[C@H]1O[C@@H](n2cnc3c(NC)nc(N)nc32)[C@H](O)[C@@H]1O | 10.1039/C3MD00364G | ||
| CHEMBL3133153 | 106028 | 0 | None | -316 | 3 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 323 | 3 | 5 | 10 | -2.2 | CNC(=O)[C@H]1O[C@@H](n2cnc3c(NC)nc(N)nc32)[C@H](O)[C@@H]1O | 10.1039/C3MD00364G | ||
| 76336525 | 106029 | 0 | None | -158 | 3 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 337 | 4 | 5 | 10 | -1.8 | CCNc1nc(N)nc2c1ncn2[C@@H]1O[C@H](C(=O)NC)[C@@H](O)[C@H]1O | 10.1039/C3MD00364G | ||
| CHEMBL3133154 | 106029 | 0 | None | -158 | 3 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 337 | 4 | 5 | 10 | -1.8 | CCNc1nc(N)nc2c1ncn2[C@@H]1O[C@H](C(=O)NC)[C@@H](O)[C@H]1O | 10.1039/C3MD00364G | ||
| 44423821 | 142168 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 589 | 9 | 5 | 11 | 2.6 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(Nc4ccc(OCC(=O)Nc5ccc(C(C)(C)C)cc5)cc4)ncnc32)[C@H](O)[C@@H]1O | 10.1016/j.bmc.2007.01.055 | ||
| CHEMBL388405 | 142168 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 589 | 9 | 5 | 11 | 2.6 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(Nc4ccc(OCC(=O)Nc5ccc(C(C)(C)C)cc5)cc4)ncnc32)[C@H](O)[C@@H]1O | 10.1016/j.bmc.2007.01.055 | ||
| 72141742 | 162552 | 1 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 302 | 5 | 1 | 7 | 0.0 | O=C(CN1CCOC(Cn2cncn2)C1)Nc1cccnc1 | 10.1016/j.ejmech.2017.05.035 | ||
| CHEMBL4168653 | 162552 | 1 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 302 | 5 | 1 | 7 | 0.0 | O=C(CN1CCOC(Cn2cncn2)C1)Nc1cccnc1 | 10.1016/j.ejmech.2017.05.035 | ||
| 377 | 2738 | 53 | None | -48 | 10 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/jm061170a | ||
| 425 | 2738 | 53 | None | -48 | 10 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/jm061170a | ||
| 448222 | 2738 | 53 | None | -48 | 10 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/jm061170a | ||
| CHEMBL464859 | 2738 | 53 | None | -48 | 10 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/jm061170a | ||
| 14157150 | 79200 | 0 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 324 | 3 | 4 | 9 | -1.0 | CCNC(=S)[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O | 10.1021/jm9804984 | ||
| CHEMBL2113431 | 79200 | 0 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 324 | 3 | 4 | 9 | -1.0 | CCNC(=S)[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O | 10.1021/jm9804984 | ||
| 21893339 | 163888 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 366 | 5 | 3 | 7 | 1.6 | CC(=O)Nc1ccc(-c2c(C#N)c(N)nc(SCC(N)=O)c2C#N)cc1 | 10.1016/j.ejmech.2018.02.081 | ||
| CHEMBL4207286 | 163888 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 366 | 5 | 3 | 7 | 1.6 | CC(=O)Nc1ccc(-c2c(C#N)c(N)nc(SCC(N)=O)c2C#N)cc1 | 10.1016/j.ejmech.2018.02.081 | ||
| 137636099 | 155801 | 0 | None | -173 | 4 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 535 | 6 | 3 | 12 | 1.9 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(NCc5cccc(Br)c5)nc(Cl)nc43)[C@H](O)[C@@H]2O)n1 | 10.1021/acs.jmedchem.7b00291 | ||
| CHEMBL4059961 | 155801 | 0 | None | -173 | 4 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 535 | 6 | 3 | 12 | 1.9 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(NCc5cccc(Br)c5)nc(Cl)nc43)[C@H](O)[C@@H]2O)n1 | 10.1021/acs.jmedchem.7b00291 | ||
| 414 | 3357 | 33 | None | -213 | 5 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 385 | 6 | 4 | 9 | 0.5 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N[C@@H](Cc1ccccc1)C | 10.1021/jm061278q | ||
| 93205 | 3357 | 33 | None | -213 | 5 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 385 | 6 | 4 | 9 | 0.5 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N[C@@H](Cc1ccccc1)C | 10.1021/jm061278q | ||
| CHEMBL139000 | 3357 | 33 | None | -213 | 5 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 385 | 6 | 4 | 9 | 0.5 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N[C@@H](Cc1ccccc1)C | 10.1021/jm061278q | ||
| 46885472 | 8301 | 0 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 381 | 4 | 2 | 8 | 3.5 | CSc1nc(NC(=O)Nc2ccc(C)cc2)n2nc(-c3ccco3)nc2n1 | 10.1016/j.bmc.2010.02.039 | ||
| CHEMBL1092869 | 8301 | 0 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 381 | 4 | 2 | 8 | 3.5 | CSc1nc(NC(=O)Nc2ccc(C)cc2)n2nc(-c3ccco3)nc2n1 | 10.1016/j.bmc.2010.02.039 | ||
| 11395785 | 186490 | 0 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 410 | 5 | 4 | 9 | 0.6 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)nc(Cl)nc32)[C@H](O)[C@@H]1O | 10.1021/acs.jmedchem.7b00457 | ||
| CHEMBL487754 | 186490 | 0 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 410 | 5 | 4 | 9 | 0.6 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)nc(Cl)nc32)[C@H](O)[C@@H]1O | 10.1021/acs.jmedchem.7b00457 | ||
| 168280775 | 191133 | 0 | None | -1096 | 4 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 524 | 7 | 4 | 10 | 2.3 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCC[C@H]4Oc4ccc(C(C)(C)C)cc4)ncnc32)[C@H](O)[C@@H]1O | 10.1021/acs.jmedchem.2c01414 | ||
| CHEMBL5188601 | 191133 | 0 | None | -1096 | 4 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 524 | 7 | 4 | 10 | 2.3 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCC[C@H]4Oc4ccc(C(C)(C)C)cc4)ncnc32)[C@H](O)[C@@H]1O | 10.1021/acs.jmedchem.2c01414 | ||
| 137643164 | 158077 | 0 | None | 5 | 4 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 552 | 12 | 5 | 11 | 2.6 | O=C(NCCCCCCNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)c1cccc(-c2cccs2)c1 | 10.1021/acs.jmedchem.8b00047 | ||
| CHEMBL4086624 | 158077 | 0 | None | 5 | 4 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 552 | 12 | 5 | 11 | 2.6 | O=C(NCCCCCCNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)c1cccc(-c2cccs2)c1 | 10.1021/acs.jmedchem.8b00047 | ||
| 46885471 | 8300 | 0 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 367 | 4 | 2 | 8 | 3.1 | CSc1nc(NC(=O)Nc2ccccc2)n2nc(-c3ccco3)nc2n1 | 10.1016/j.bmc.2010.02.039 | ||
| CHEMBL1092868 | 8300 | 0 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 367 | 4 | 2 | 8 | 3.1 | CSc1nc(NC(=O)Nc2ccccc2)n2nc(-c3ccco3)nc2n1 | 10.1016/j.bmc.2010.02.039 | ||
| 24827415 | 159402 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 519 | 7 | 6 | 11 | 0.6 | NNc1nc(OCCc2c[nH]c3cc(Br)ccc23)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O | 10.1021/jm701442d | ||
| CHEMBL410104 | 159402 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 519 | 7 | 6 | 11 | 0.6 | NNc1nc(OCCc2c[nH]c3cc(Br)ccc23)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O | 10.1021/jm701442d | ||
| 16103168 | 83189 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 481 | 6 | 5 | 11 | 0.4 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NNC(=O)c4ccc(C)s4)nc(Cl)nc32)[C@H](O)[C@@H]1O | 10.1021/jm061170a | ||
| CHEMBL218585 | 83189 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 481 | 6 | 5 | 11 | 0.4 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NNC(=O)c4ccc(C)s4)nc(Cl)nc32)[C@H](O)[C@@H]1O | 10.1021/jm061170a | ||
| 44423837 | 85220 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 581 | 10 | 5 | 11 | 1.7 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(Nc4ccc(OCC(=O)NCc5ccccc5)cc4)nc(Cl)nc32)[C@H](O)[C@@H]1O | 10.1016/j.bmc.2007.01.055 | ||
| CHEMBL225944 | 85220 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 581 | 10 | 5 | 11 | 1.7 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(Nc4ccc(OCC(=O)NCc5ccccc5)cc4)nc(Cl)nc32)[C@H](O)[C@@H]1O | 10.1016/j.bmc.2007.01.055 | ||
| 44420921 | 85133 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 393 | 6 | 4 | 11 | -0.3 | Nc1nc(OCCc2cccs2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O | 10.1021/jm061278q | ||
| CHEMBL225233 | 85133 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 393 | 6 | 4 | 11 | -0.3 | Nc1nc(OCCc2cccs2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O | 10.1021/jm061278q | ||
| 137649083 | 157283 | 0 | None | 7 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 849 | 15 | 6 | 13 | 6.7 | Nc1sc(-c2ccc(C(=O)NCCCCCCNc3nc(Cl)nc4c3ncn4[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)cc2)c(-c2cccc(C(F)(F)F)c2)c1C(=O)c1ccccc1 | 10.1021/acs.jmedchem.8b00047 | ||
| CHEMBL4077152 | 157283 | 0 | None | 7 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 849 | 15 | 6 | 13 | 6.7 | Nc1sc(-c2ccc(C(=O)NCCCCCCNc3nc(Cl)nc4c3ncn4[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)cc2)c(-c2cccc(C(F)(F)F)c2)c1C(=O)c1ccccc1 | 10.1021/acs.jmedchem.8b00047 | ||
| 145968949 | 164793 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 409 | 8 | 3 | 8 | 2.0 | N#Cc1c(N)nc(SCC(=O)NCO)c(C#N)c1-c1ccc(OCC2CC2)cc1 | 10.1016/j.ejmech.2018.02.081 | ||
| CHEMBL4218613 | 164793 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 409 | 8 | 3 | 8 | 2.0 | N#Cc1c(N)nc(SCC(=O)NCO)c(C#N)c1-c1ccc(OCC2CC2)cc1 | 10.1016/j.ejmech.2018.02.081 | ||
| 16202726 | 84683 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 552 | 6 | 5 | 10 | 0.7 | Nc1nc(OCCc2c[nH]c3ccc(I)cc23)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O | 10.1021/jm061278q | ||
| CHEMBL222748 | 84683 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 552 | 6 | 5 | 10 | 0.7 | Nc1nc(OCCc2c[nH]c3ccc(I)cc23)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O | 10.1021/jm061278q | ||
| 11174953 | 16730 | 1 | None | -1 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 332 | 4 | 2 | 6 | 3.1 | N#Cc1c(N)nc(SCc2ncc[nH]2)c(C#N)c1-c1ccccc1 | 10.1021/jm049947s | ||
| CHEMBL124345 | 16730 | 1 | None | -1 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 332 | 4 | 2 | 6 | 3.1 | N#Cc1c(N)nc(SCc2ncc[nH]2)c(C#N)c1-c1ccccc1 | 10.1021/jm049947s | ||
| 168283013 | 190851 | 0 | None | -3715 | 4 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 516 | 8 | 4 | 10 | 1.8 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCC[C@H]4OCc4cccc(Cl)c4)ncnc32)[C@H](O)[C@@H]1O | 10.1021/acs.jmedchem.2c01414 | ||
| CHEMBL5184828 | 190851 | 0 | None | -3715 | 4 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 516 | 8 | 4 | 10 | 1.8 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCC[C@H]4OCc4cccc(Cl)c4)ncnc32)[C@H](O)[C@@H]1O | 10.1021/acs.jmedchem.2c01414 | ||
| 137650899 | 157179 | 0 | None | -35 | 4 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 413 | 6 | 3 | 13 | 0.0 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(NCc5ccco5)ncnc43)[C@H](O)[C@@H]2O)n1 | 10.1021/acs.jmedchem.7b00291 | ||
| CHEMBL4076003 | 157179 | 0 | None | -35 | 4 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 413 | 6 | 3 | 13 | 0.0 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(NCc5ccco5)ncnc43)[C@H](O)[C@@H]2O)n1 | 10.1021/acs.jmedchem.7b00291 | ||
| 137657926 | 159744 | 0 | None | -269 | 4 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 421 | 6 | 3 | 12 | 0.3 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(NCC5CC5)nc(Cl)nc43)[C@H](O)[C@@H]2O)n1 | 10.1021/acs.jmedchem.7b00291 | ||
| CHEMBL4105164 | 159744 | 0 | None | -269 | 4 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 421 | 6 | 3 | 12 | 0.3 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(NCC5CC5)nc(Cl)nc43)[C@H](O)[C@@H]2O)n1 | 10.1021/acs.jmedchem.7b00291 | ||
| 76322076 | 106021 | 0 | None | -39 | 4 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 489 | 7 | 5 | 10 | 1.0 | CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(N)nc32)[C@H](O)[C@@H]1O | 10.1039/C3MD00364G | ||
| CHEMBL3133080 | 106021 | 0 | None | -39 | 4 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 489 | 7 | 5 | 10 | 1.0 | CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(N)nc32)[C@H](O)[C@@H]1O | 10.1039/C3MD00364G | ||
| 76318403 | 106032 | 0 | None | -39 | 4 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 363 | 4 | 5 | 10 | -1.3 | CNC(=O)[C@H]1O[C@@H](n2cnc3c(NC4CCC4)nc(N)nc32)[C@H](O)[C@@H]1O | 10.1039/C3MD00364G | ||
| CHEMBL3133157 | 106032 | 0 | None | -39 | 4 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 363 | 4 | 5 | 10 | -1.3 | CNC(=O)[C@H]1O[C@@H](n2cnc3c(NC4CCC4)nc(N)nc32)[C@H](O)[C@@H]1O | 10.1039/C3MD00364G | ||
| 57387337 | 75446 | 0 | None | -6 | 4 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 326 | 3 | 4 | 9 | -1.7 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(F)nc32)[C@H](O)[C@@H]1O | 10.1021/jm300206u | ||
| CHEMBL2042297 | 75446 | 0 | None | -6 | 4 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 326 | 3 | 4 | 9 | -1.7 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(F)nc32)[C@H](O)[C@@H]1O | 10.1021/jm300206u | ||
| 16103185 | 166019 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 467 | 6 | 5 | 11 | 0.1 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NNC(=O)c4cccs4)nc(Cl)nc32)[C@H](O)[C@@H]1O | 10.1021/jm061170a | ||
| CHEMBL425643 | 166019 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 467 | 6 | 5 | 11 | 0.1 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NNC(=O)c4cccs4)nc(Cl)nc32)[C@H](O)[C@@H]1O | 10.1021/jm061170a | ||
| 70689262 | 77948 | 0 | None | -954 | 3 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 496 | 8 | 4 | 14 | 0.5 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(N)nc(N[C@H](C)Cc5ccc(OC)cc5)nc43)[C@H](O)[C@@H]2O)n1 | 10.1021/jm031143+ | ||
| CHEMBL2096798 | 77948 | 0 | None | -954 | 3 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 496 | 8 | 4 | 14 | 0.5 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(N)nc(N[C@H](C)Cc5ccc(OC)cc5)nc43)[C@H](O)[C@@H]2O)n1 | 10.1021/jm031143+ | ||
| 137656913 | 159629 | 0 | None | -371 | 2 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 389 | 4 | 3 | 9 | 0.5 | O[C@@H]1[C@@H](CCl)O[C@@H](n2cnc3c(N[C@@H]4CCOC4)nc(Cl)nc32)[C@@H]1O | 10.1021/acs.jmedchem.7b01399 | ||
| CHEMBL4103712 | 159629 | 0 | None | -371 | 2 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 389 | 4 | 3 | 9 | 0.5 | O[C@@H]1[C@@H](CCl)O[C@@H](n2cnc3c(N[C@@H]4CCOC4)nc(Cl)nc32)[C@@H]1O | 10.1021/acs.jmedchem.7b01399 | ||
| 46885518 | 7766 | 0 | None | - | 1 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 427 | 5 | 2 | 8 | 4.5 | Cc1ccc(NC(=O)Nc2nc(Oc3ccccc3)nc3nc(-c4ccco4)nn23)cc1 | 10.1016/j.bmc.2010.02.039 | ||
| CHEMBL1089441 | 7766 | 0 | None | - | 1 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 427 | 5 | 2 | 8 | 4.5 | Cc1ccc(NC(=O)Nc2nc(Oc3ccccc3)nc3nc(-c4ccco4)nn23)cc1 | 10.1016/j.bmc.2010.02.039 | ||
| 16109359 | 161754 | 0 | None | -758 | 4 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 924 | 21 | 6 | 14 | 4.5 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCCCCNC(=O)CCCCCNC(=O)COc4ccc(/C=C/C5=[N+]6C(=Cc7ccc(-c8cccs8)n7[B-]6(F)F)C=C5)cc4)ncnc32)[C@H](O)[C@@H]1O | 10.1021/jm061279i | ||
| CHEMBL414055 | 161754 | 0 | None | -758 | 4 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 924 | 21 | 6 | 14 | 4.5 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCCCCNC(=O)CCCCCNC(=O)COc4ccc(/C=C/C5=[N+]6C(=Cc7ccc(-c8cccs8)n7[B-]6(F)F)C=C5)cc4)ncnc32)[C@H](O)[C@@H]1O | 10.1021/jm061279i | ||
| 16103167 | 83354 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 451 | 6 | 5 | 11 | -0.4 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NNC(=O)c4ccco4)nc(Cl)nc32)[C@H](O)[C@@H]1O | 10.1021/jm061170a | ||
| CHEMBL219413 | 83354 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 451 | 6 | 5 | 11 | -0.4 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NNC(=O)c4ccco4)nc(Cl)nc32)[C@H](O)[C@@H]1O | 10.1021/jm061170a | ||
| 145977114 | 163747 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 367 | 6 | 2 | 7 | 2.3 | CCOc1ccc(-c2c(C#N)c(N)nc(SCC(=O)NC)c2C#N)cc1 | 10.1016/j.ejmech.2018.02.081 | ||
| CHEMBL4205729 | 163747 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 367 | 6 | 2 | 7 | 2.3 | CCOc1ccc(-c2c(C#N)c(N)nc(SCC(=O)NC)c2C#N)cc1 | 10.1016/j.ejmech.2018.02.081 | ||
| 137650221 | 157231 | 0 | None | -56 | 4 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 463 | 6 | 3 | 13 | 1.2 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(NCc5cccs5)nc(Cl)nc43)[C@H](O)[C@@H]2O)n1 | 10.1021/acs.jmedchem.7b00291 | ||
| CHEMBL4076561 | 157231 | 0 | None | -56 | 4 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 463 | 6 | 3 | 13 | 1.2 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(NCc5cccs5)nc(Cl)nc43)[C@H](O)[C@@H]2O)n1 | 10.1021/acs.jmedchem.7b00291 | ||
| 16202727 | 84710 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 460 | 6 | 5 | 10 | 0.8 | Nc1nc(OCCc2c[nH]c3cc(Cl)ccc23)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O | 10.1021/jm061278q | ||
| CHEMBL222907 | 84710 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 460 | 6 | 5 | 10 | 0.8 | Nc1nc(OCCc2c[nH]c3cc(Cl)ccc23)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O | 10.1021/jm061278q | ||
| 16202725 | 84632 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 460 | 6 | 5 | 10 | 0.8 | Nc1nc(OCCc2c[nH]c3ccc(Cl)cc23)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O | 10.1021/jm061278q | ||
| CHEMBL222442 | 84632 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 460 | 6 | 5 | 10 | 0.8 | Nc1nc(OCCc2c[nH]c3ccc(Cl)cc23)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O | 10.1021/jm061278q | ||
| 23757284 | 85100 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 438 | 4 | 5 | 10 | -0.8 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(C#C[C@@H](O)c4ccccc4)nc32)[C@H](O)[C@@H]1O | 10.1021/jm061278q | ||
| CHEMBL224874 | 85100 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 438 | 4 | 5 | 10 | -0.8 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(C#C[C@@H](O)c4ccccc4)nc32)[C@H](O)[C@@H]1O | 10.1021/jm061278q | ||
| 118732974 | 118489 | 0 | None | -47 | 4 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 373 | 5 | 3 | 12 | -0.6 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(NC5CC5)ncnc43)[C@H](O)[C@@H]2O)n1 | 10.1021/acs.jmedchem.7b00291 | ||
| CHEMBL3414940 | 118489 | 0 | None | -47 | 4 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 373 | 5 | 3 | 12 | -0.6 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(NC5CC5)ncnc43)[C@H](O)[C@@H]2O)n1 | 10.1021/acs.jmedchem.7b00291 | ||
| 137650918 | 157221 | 0 | None | -6 | 4 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 671 | 14 | 6 | 13 | 3.4 | Nc1sc(-c2ccc(C(=O)NCCCCCCNc3ncnc4c3ncn4[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)cc2)cc1C(=O)c1ccccc1 | 10.1021/acs.jmedchem.8b00047 | ||
| CHEMBL4076495 | 157221 | 0 | None | -6 | 4 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 671 | 14 | 6 | 13 | 3.4 | Nc1sc(-c2ccc(C(=O)NCCCCCCNc3ncnc4c3ncn4[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)cc2)cc1C(=O)c1ccccc1 | 10.1021/acs.jmedchem.8b00047 | ||
| 132991434 | 179934 | 0 | None | -23 | 4 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 564 | 8 | 6 | 12 | 2.4 | OC[C@H]1O[C@@H](n2cnc3c(Nc4ccc(CNC(=S)Nc5ccc(N=C=S)cc5)cc4)ncnc32)[C@H](O)[C@@H]1O | 10.1021/acs.jmedchem.6b01561 | ||
| CHEMBL4746617 | 179934 | 0 | None | -23 | 4 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 564 | 8 | 6 | 12 | 2.4 | OC[C@H]1O[C@@H](n2cnc3c(Nc4ccc(CNC(=S)Nc5ccc(N=C=S)cc5)cc4)ncnc32)[C@H](O)[C@@H]1O | 10.1021/acs.jmedchem.6b01561 | ||
| 137651747 | 157457 | 0 | None | -70 | 4 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 475 | 6 | 3 | 12 | 1.2 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(NCc5cccc(F)c5)nc(Cl)nc43)[C@H](O)[C@@H]2O)n1 | 10.1021/acs.jmedchem.7b00291 | ||
| CHEMBL4079433 | 157457 | 0 | None | -70 | 4 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 475 | 6 | 3 | 12 | 1.2 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(NCc5cccc(F)c5)nc(Cl)nc43)[C@H](O)[C@@H]2O)n1 | 10.1021/acs.jmedchem.7b00291 | ||
| 16103178 | 160634 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 431 | 6 | 5 | 11 | -0.8 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NNC(=O)c4ccc(C)o4)ncnc32)[C@H](O)[C@@H]1O | 10.1021/jm061170a | ||
| CHEMBL411332 | 160634 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 431 | 6 | 5 | 11 | -0.8 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NNC(=O)c4ccc(C)o4)ncnc32)[C@H](O)[C@@H]1O | 10.1021/jm061170a | ||
| 57384543 | 75457 | 0 | None | -6 | 4 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 838 | 14 | 6 | 11 | 7.3 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(NCCc4ccc(NC(=O)c5cc(C(C)(C)C)cc(C(C)(C)C)c5)cc4)nc32)[C@H](O)[C@@H]1O | 10.1021/jm300206u | ||
| CHEMBL2042308 | 75457 | 0 | None | -6 | 4 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 838 | 14 | 6 | 11 | 7.3 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(NCCc4ccc(NC(=O)c5cc(C(C)(C)C)cc(C(C)(C)C)c5)cc4)nc32)[C@H](O)[C@@H]1O | 10.1021/jm300206u | ||
| 449 | 2625 | 52 | None | 1 | 4 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 486 | 9 | 2 | 8 | 3.3 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)C#N | 10.1016/j.ejmech.2017.05.035 | ||
| 453 | 2625 | 52 | None | 1 | 4 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 486 | 9 | 2 | 8 | 3.3 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)C#N | 10.1016/j.ejmech.2017.05.035 | ||
| 6603931 | 2625 | 52 | None | 1 | 4 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 486 | 9 | 2 | 8 | 3.3 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)C#N | 10.1016/j.ejmech.2017.05.035 | ||
| CHEMBL273807 | 2625 | 52 | None | 1 | 4 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 486 | 9 | 2 | 8 | 3.3 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)C#N | 10.1016/j.ejmech.2017.05.035 | ||
| 136015813 | 162340 | 4 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 322 | 6 | 2 | 7 | 2.6 | CCCc1cc(O)nc(SC(C)C(=O)Nc2cc(C)no2)n1 | 10.1016/j.ejmech.2017.05.035 | ||
| CHEMBL4165135 | 162340 | 4 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 322 | 6 | 2 | 7 | 2.6 | CCCc1cc(O)nc(SC(C)C(=O)Nc2cc(C)no2)n1 | 10.1016/j.ejmech.2017.05.035 | ||
| 168273986 | 190152 | 0 | None | -234422 | 2 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 505 | 6 | 4 | 10 | 1.6 | OC[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCC[C@H]4Oc4cccc(Br)c4)ncnc32)[C@H](O)[C@@H]1O | 10.1021/acs.jmedchem.2c01414 | ||
| CHEMBL5174052 | 190152 | 0 | None | -234422 | 2 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 505 | 6 | 4 | 10 | 1.6 | OC[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCC[C@H]4Oc4cccc(Br)c4)ncnc32)[C@H](O)[C@@H]1O | 10.1021/acs.jmedchem.2c01414 | ||
| 137648928 | 157381 | 0 | None | -97 | 4 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 549 | 6 | 3 | 12 | 1.0 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(NCc5cccc(I)c5)ncnc43)[C@H](O)[C@@H]2O)n1 | 10.1021/acs.jmedchem.7b00291 | ||
| CHEMBL4078479 | 157381 | 0 | None | -97 | 4 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 549 | 6 | 3 | 12 | 1.0 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(NCc5cccc(I)c5)ncnc43)[C@H](O)[C@@H]2O)n1 | 10.1021/acs.jmedchem.7b00291 | ||
| 2844 | 282 | 107 | None | -16 | 5 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 267 | 2 | 4 | 9 | -2.0 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/acs.jmedchem.5b00828 | ||
| 60961 | 282 | 107 | None | -16 | 5 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 267 | 2 | 4 | 9 | -2.0 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/acs.jmedchem.5b00828 | ||
| 90 | 282 | 107 | None | -16 | 5 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 267 | 2 | 4 | 9 | -2.0 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/acs.jmedchem.5b00828 | ||
| CHEMBL477 | 282 | 107 | None | -16 | 5 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 267 | 2 | 4 | 9 | -2.0 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/acs.jmedchem.5b00828 | ||
| DB00640 | 282 | 107 | None | -16 | 5 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 267 | 2 | 4 | 9 | -2.0 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/acs.jmedchem.5b00828 | ||
| 137661132 | 159151 | 0 | None | -316 | 4 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 491 | 6 | 3 | 12 | 1.7 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(NCc5cccc(Cl)c5)nc(Cl)nc43)[C@H](O)[C@@H]2O)n1 | 10.1021/acs.jmedchem.7b00291 | ||
| CHEMBL4098377 | 159151 | 0 | None | -316 | 4 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 491 | 6 | 3 | 12 | 1.7 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(NCc5cccc(Cl)c5)nc(Cl)nc43)[C@H](O)[C@@H]2O)n1 | 10.1021/acs.jmedchem.7b00291 | ||
| 44423825 | 85371 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 577 | 11 | 5 | 12 | 1.0 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(Nc4ccc(OCC(=O)NCc5ccc(OC)cc5)cc4)ncnc32)[C@H](O)[C@@H]1O | 10.1016/j.bmc.2007.01.055 | ||
| CHEMBL226304 | 85371 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 577 | 11 | 5 | 12 | 1.0 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(Nc4ccc(OCC(=O)NCc5ccc(OC)cc5)cc4)ncnc32)[C@H](O)[C@@H]1O | 10.1016/j.bmc.2007.01.055 | ||
| 377 | 2738 | 53 | None | -48 | 10 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1016/s0960-894x(01)00347-x | ||
| 425 | 2738 | 53 | None | -48 | 10 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1016/s0960-894x(01)00347-x | ||
| 448222 | 2738 | 53 | None | -48 | 10 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1016/s0960-894x(01)00347-x | ||
| CHEMBL464859 | 2738 | 53 | None | -48 | 10 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1016/s0960-894x(01)00347-x | ||
| 2844 | 282 | 107 | None | -16 | 5 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 267 | 2 | 4 | 9 | -2.0 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1016/j.bmcl.2011.02.053 | ||
| 60961 | 282 | 107 | None | -16 | 5 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 267 | 2 | 4 | 9 | -2.0 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1016/j.bmcl.2011.02.053 | ||
| 90 | 282 | 107 | None | -16 | 5 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 267 | 2 | 4 | 9 | -2.0 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1016/j.bmcl.2011.02.053 | ||
| CHEMBL477 | 282 | 107 | None | -16 | 5 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 267 | 2 | 4 | 9 | -2.0 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1016/j.bmcl.2011.02.053 | ||
| DB00640 | 282 | 107 | None | -16 | 5 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 267 | 2 | 4 | 9 | -2.0 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1016/j.bmcl.2011.02.053 | ||
| 2844 | 282 | 107 | None | -16 | 5 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 267 | 2 | 4 | 9 | -2.0 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1016/j.bmcl.2010.05.056 | ||
| 60961 | 282 | 107 | None | -16 | 5 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 267 | 2 | 4 | 9 | -2.0 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1016/j.bmcl.2010.05.056 | ||
| 90 | 282 | 107 | None | -16 | 5 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 267 | 2 | 4 | 9 | -2.0 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1016/j.bmcl.2010.05.056 | ||
| CHEMBL477 | 282 | 107 | None | -16 | 5 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 267 | 2 | 4 | 9 | -2.0 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1016/j.bmcl.2010.05.056 | ||
| DB00640 | 282 | 107 | None | -16 | 5 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 267 | 2 | 4 | 9 | -2.0 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1016/j.bmcl.2010.05.056 | ||
| 2844 | 282 | 107 | None | -16 | 5 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 267 | 2 | 4 | 9 | -2.0 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/jm4011669 | ||
| 60961 | 282 | 107 | None | -16 | 5 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 267 | 2 | 4 | 9 | -2.0 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/jm4011669 | ||
| 90 | 282 | 107 | None | -16 | 5 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 267 | 2 | 4 | 9 | -2.0 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/jm4011669 | ||
| CHEMBL477 | 282 | 107 | None | -16 | 5 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 267 | 2 | 4 | 9 | -2.0 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/jm4011669 | ||
| DB00640 | 282 | 107 | None | -16 | 5 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 267 | 2 | 4 | 9 | -2.0 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/jm4011669 | ||
| 168278159 | 190336 | 0 | None | 23 | 4 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 839 | 15 | 5 | 15 | 6.6 | Nc1sc(-c2ccc(-c3cn(CCCCCCNc4ncnc5c4ncn5[C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)nn3)cc2)c(-c2cccc(C(F)(F)F)c2)c1C(=O)c1ccccc1 | 10.1021/acs.jmedchem.2c00320 | ||
| CHEMBL5177040 | 190336 | 0 | None | 23 | 4 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 839 | 15 | 5 | 15 | 6.6 | Nc1sc(-c2ccc(-c3cn(CCCCCCNc4ncnc5c4ncn5[C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)nn3)cc2)c(-c2cccc(C(F)(F)F)c2)c1C(=O)c1ccccc1 | 10.1021/acs.jmedchem.2c00320 | ||
| 377 | 2738 | 53 | None | -48 | 10 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/jm031143+ | ||
| 425 | 2738 | 53 | None | -48 | 10 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/jm031143+ | ||
| 448222 | 2738 | 53 | None | -48 | 10 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/jm031143+ | ||
| CHEMBL464859 | 2738 | 53 | None | -48 | 10 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/jm031143+ | ||
| 76325694 | 106034 | 0 | None | -39 | 4 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 391 | 4 | 5 | 10 | -0.5 | CNC(=O)[C@H]1O[C@@H](n2cnc3c(NC4CCCCC4)nc(N)nc32)[C@H](O)[C@@H]1O | 10.1039/C3MD00364G | ||
| CHEMBL3133159 | 106034 | 0 | None | -39 | 4 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 391 | 4 | 5 | 10 | -0.5 | CNC(=O)[C@H]1O[C@@H](n2cnc3c(NC4CCCCC4)nc(N)nc32)[C@H](O)[C@@H]1O | 10.1039/C3MD00364G | ||
| 57388055 | 75455 | 0 | None | -40 | 4 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 622 | 12 | 6 | 11 | 3.1 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(NCCc4ccc(N)cc4)nc32)[C@H](O)[C@@H]1O | 10.1021/jm300206u | ||
| CHEMBL2042306 | 75455 | 0 | None | -40 | 4 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 622 | 12 | 6 | 11 | 3.1 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(NCCc4ccc(N)cc4)nc32)[C@H](O)[C@@H]1O | 10.1021/jm300206u | ||
| 137641990 | 158055 | 0 | None | -48 | 4 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 447 | 6 | 3 | 13 | 0.7 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(NCc5ccco5)nc(Cl)nc43)[C@H](O)[C@@H]2O)n1 | 10.1021/acs.jmedchem.7b00291 | ||
| CHEMBL4086325 | 158055 | 0 | None | -48 | 4 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 447 | 6 | 3 | 13 | 0.7 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(NCc5ccco5)nc(Cl)nc43)[C@H](O)[C@@H]2O)n1 | 10.1021/acs.jmedchem.7b00291 | ||
| 16204411 | 84718 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 376 | 6 | 5 | 10 | -1.0 | Nc1nc(OCCc2cc[nH]c2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O | 10.1021/jm061278q | ||
| CHEMBL222945 | 84718 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 376 | 6 | 5 | 10 | -1.0 | Nc1nc(OCCc2cc[nH]c2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O | 10.1021/jm061278q | ||
| 168290340 | 191869 | 0 | None | -7943 | 3 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 475 | 7 | 4 | 10 | 1.6 | OC[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCC[C@H]4OCc4ccccc4Cl)ncnc32)[C@H](O)[C@@H]1O | 10.1021/acs.jmedchem.2c01414 | ||
| CHEMBL5199871 | 191869 | 0 | None | -7943 | 3 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 475 | 7 | 4 | 10 | 1.6 | OC[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCC[C@H]4OCc4ccccc4Cl)ncnc32)[C@H](O)[C@@H]1O | 10.1021/acs.jmedchem.2c01414 | ||
| 16103165 | 83353 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 447 | 6 | 5 | 11 | -0.3 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NNC(=O)c4ccc(C)s4)ncnc32)[C@H](O)[C@@H]1O | 10.1021/jm061170a | ||
| CHEMBL219411 | 83353 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 447 | 6 | 5 | 11 | -0.3 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NNC(=O)c4ccc(C)s4)ncnc32)[C@H](O)[C@@H]1O | 10.1021/jm061170a | ||
| 137639588 | 156860 | 0 | None | -1 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 815 | 15 | 6 | 13 | 6.1 | Nc1sc(-c2ccccc2C(=O)NCCCCCCNc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(-c2cccc(C(F)(F)F)c2)c1C(=O)c1ccccc1 | 10.1021/acs.jmedchem.8b00047 | ||
| CHEMBL4072009 | 156860 | 0 | None | -1 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 815 | 15 | 6 | 13 | 6.1 | Nc1sc(-c2ccccc2C(=O)NCCCCCCNc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(-c2cccc(C(F)(F)F)c2)c1C(=O)c1ccccc1 | 10.1021/acs.jmedchem.8b00047 | ||
| 24827289 | 167399 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 613 | 9 | 6 | 12 | 1.7 | O=C(NNc1nc(OCCc2c[nH]c3cc(Br)ccc23)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)c1ccco1 | 10.1021/jm701442d | ||
| CHEMBL429684 | 167399 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 613 | 9 | 6 | 12 | 1.7 | O=C(NNc1nc(OCCc2c[nH]c3cc(Br)ccc23)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)c1ccco1 | 10.1021/jm701442d | ||
| 3044933 | 16451 | 6 | None | - | 1 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 322 | 4 | 4 | 9 | -1.4 | CCCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O | 10.1021/jm9804984 | ||
| CHEMBL1235128 | 16451 | 6 | None | - | 1 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 322 | 4 | 4 | 9 | -1.4 | CCCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O | 10.1021/jm9804984 | ||
| 57388056 | 75456 | 0 | None | -9 | 4 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 685 | 12 | 5 | 10 | 4.2 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(NCCc4ccc(Br)cc4)nc32)[C@H](O)[C@@H]1O | 10.1021/jm300206u | ||
| CHEMBL2042307 | 75456 | 0 | None | -9 | 4 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 685 | 12 | 5 | 10 | 4.2 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(NCCc4ccc(Br)cc4)nc32)[C@H](O)[C@@H]1O | 10.1021/jm300206u | ||
| 16203429 | 84778 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 426 | 6 | 5 | 10 | 0.1 | Nc1nc(OCCc2c[nH]c3ccccc23)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O | 10.1021/jm061278q | ||
| CHEMBL223366 | 84778 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 426 | 6 | 5 | 10 | 0.1 | Nc1nc(OCCc2c[nH]c3ccccc23)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O | 10.1021/jm061278q | ||
| 377 | 2738 | 53 | None | -48 | 10 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1039/C3MD00364G | ||
| 425 | 2738 | 53 | None | -48 | 10 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1039/C3MD00364G | ||
| 448222 | 2738 | 53 | None | -48 | 10 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1039/C3MD00364G | ||
| CHEMBL464859 | 2738 | 53 | None | -48 | 10 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1039/C3MD00364G | ||
| 44423815 | 85355 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 659 | 9 | 5 | 11 | 1.9 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(Nc4ccc(OCC(=O)Nc5ccc(I)cc5)cc4)ncnc32)[C@H](O)[C@@H]1O | 10.1016/j.bmc.2007.01.055 | ||
| CHEMBL226242 | 85355 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 659 | 9 | 5 | 11 | 1.9 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(Nc4ccc(OCC(=O)Nc5ccc(I)cc5)cc4)ncnc32)[C@H](O)[C@@H]1O | 10.1016/j.bmc.2007.01.055 | ||
| 44423822 | 85370 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 618 | 10 | 5 | 13 | 1.2 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(Nc4ccc(OCC(=O)Nc5ccc(N6CCOCC6)cc5)cc4)ncnc32)[C@H](O)[C@@H]1O | 10.1016/j.bmc.2007.01.055 | ||
| CHEMBL226303 | 85370 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 618 | 10 | 5 | 13 | 1.2 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(Nc4ccc(OCC(=O)Nc5ccc(N6CCOCC6)cc5)cc4)ncnc32)[C@H](O)[C@@H]1O | 10.1016/j.bmc.2007.01.055 | ||
| 70689262 | 77948 | 0 | None | -954 | 3 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 496 | 8 | 4 | 14 | 0.5 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(N)nc(N[C@H](C)Cc5ccc(OC)cc5)nc43)[C@H](O)[C@@H]2O)n1 | 10.1021/jm031143+ | ||
| CHEMBL2096798 | 77948 | 0 | None | -954 | 3 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 496 | 8 | 4 | 14 | 0.5 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(N)nc(N[C@H](C)Cc5ccc(OC)cc5)nc43)[C@H](O)[C@@H]2O)n1 | 10.1021/jm031143+ | ||
| 71456259 | 79204 | 0 | None | - | 1 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 376 | 4 | 4 | 9 | -0.9 | Nc1ncnc2c1ncn2[C@@H]1O[C@H](C(=O)NCCC(F)(F)F)[C@@H](O)[C@H]1O | 10.1021/jm9804984 | ||
| CHEMBL2113435 | 79204 | 0 | None | - | 1 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 376 | 4 | 4 | 9 | -0.9 | Nc1ncnc2c1ncn2[C@@H]1O[C@H](C(=O)NCCC(F)(F)F)[C@@H](O)[C@H]1O | 10.1021/jm9804984 | ||
| 44423838 | 142252 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 573 | 9 | 5 | 11 | 1.8 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(Nc4ccc(OCC(=O)NC5CCCCC5)cc4)nc(Cl)nc32)[C@H](O)[C@@H]1O | 10.1016/j.bmc.2007.01.055 | ||
| CHEMBL388505 | 142252 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 573 | 9 | 5 | 11 | 1.8 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(Nc4ccc(OCC(=O)NC5CCCCC5)cc4)nc(Cl)nc32)[C@H](O)[C@@H]1O | 10.1016/j.bmc.2007.01.055 | ||
| 11717831 | 582 | 48 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 379 | 7 | 2 | 7 | 2.4 | N#Cc1c(N)nc(c(c1c1ccc(cc1)OCC1CC1)C#N)SCC(=O)N | 10.1016/j.ejmech.2018.02.081 | ||
| 3289 | 582 | 48 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 379 | 7 | 2 | 7 | 2.4 | N#Cc1c(N)nc(c(c1c1ccc(cc1)OCC1CC1)C#N)SCC(=O)N | 10.1016/j.ejmech.2018.02.081 | ||
| CHEMBL4202825 | 582 | 48 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 379 | 7 | 2 | 7 | 2.4 | N#Cc1c(N)nc(c(c1c1ccc(cc1)OCC1CC1)C#N)SCC(=O)N | 10.1016/j.ejmech.2018.02.081 | ||
| 123683 | 3099 | 63 | None | -1258 | 5 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 510 | 5 | 4 | 9 | 0.4 | CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NCc1cccc(c1)I | 10.1039/C3MD00364G | ||
| 422 | 3099 | 63 | None | -1258 | 5 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 510 | 5 | 4 | 9 | 0.4 | CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NCc1cccc(c1)I | 10.1039/C3MD00364G | ||
| CHEMBL119709 | 3099 | 63 | None | -1258 | 5 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 510 | 5 | 4 | 9 | 0.4 | CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NCc1cccc(c1)I | 10.1039/C3MD00364G | ||
| DB05511 | 3099 | 63 | None | -1258 | 5 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 510 | 5 | 4 | 9 | 0.4 | CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NCc1cccc(c1)I | 10.1039/C3MD00364G | ||
| 377 | 2738 | 53 | None | -48 | 10 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/jm9804984 | ||
| 425 | 2738 | 53 | None | -48 | 10 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/jm9804984 | ||
| 448222 | 2738 | 53 | None | -48 | 10 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/jm9804984 | ||
| CHEMBL464859 | 2738 | 53 | None | -48 | 10 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/jm9804984 | ||
| 44423826 | 85373 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 539 | 9 | 5 | 11 | 1.2 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(Nc4ccc(OCC(=O)NC5CCCCC5)cc4)ncnc32)[C@H](O)[C@@H]1O | 10.1016/j.bmc.2007.01.055 | ||
| CHEMBL226307 | 85373 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 539 | 9 | 5 | 11 | 1.2 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(Nc4ccc(OCC(=O)NC5CCCCC5)cc4)ncnc32)[C@H](O)[C@@H]1O | 10.1016/j.bmc.2007.01.055 | ||
| 118732979 | 118494 | 0 | None | -426 | 4 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 437 | 5 | 3 | 13 | 0.0 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(NC5CCCO5)nc(Cl)nc43)[C@H](O)[C@@H]2O)n1 | 10.1021/acs.jmedchem.5b00074 | ||
| CHEMBL3414945 | 118494 | 0 | None | -426 | 4 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 437 | 5 | 3 | 13 | 0.0 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(NC5CCCO5)nc(Cl)nc43)[C@H](O)[C@@H]2O)n1 | 10.1021/acs.jmedchem.5b00074 | ||
| 44423823 | 142170 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 534 | 9 | 5 | 12 | 0.7 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(Nc4ccc(OCC(=O)Nc5ccncc5)cc4)ncnc32)[C@H](O)[C@@H]1O | 10.1016/j.bmc.2007.01.055 | ||
| CHEMBL388406 | 142170 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 534 | 9 | 5 | 12 | 0.7 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(Nc4ccc(OCC(=O)Nc5ccncc5)cc4)ncnc32)[C@H](O)[C@@H]1O | 10.1016/j.bmc.2007.01.055 | ||
| 44423817 | 85356 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 563 | 10 | 5 | 12 | 1.4 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(Nc4ccc(OCC(=O)Nc5ccc(OC)cc5)cc4)ncnc32)[C@H](O)[C@@H]1O | 10.1016/j.bmc.2007.01.055 | ||
| CHEMBL226243 | 85356 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 563 | 10 | 5 | 12 | 1.4 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(Nc4ccc(OCC(=O)Nc5ccc(OC)cc5)cc4)ncnc32)[C@H](O)[C@@H]1O | 10.1016/j.bmc.2007.01.055 | ||
| 10688700 | 76903 | 0 | None | - | 1 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 342 | 4 | 4 | 9 | -1.6 | Nc1ncnc2c1ncn2[C@@H]1O[C@H](C(=O)NCCCl)[C@@H](O)[C@H]1O | 10.1021/jm9804984 | ||
| CHEMBL2070399 | 76903 | 0 | None | - | 1 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 342 | 4 | 4 | 9 | -1.6 | Nc1ncnc2c1ncn2[C@@H]1O[C@H](C(=O)NCCCl)[C@@H](O)[C@H]1O | 10.1021/jm9804984 | ||
| 16203668 | 96311 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 454 | 8 | 5 | 10 | 1.0 | CCNc1nc(OCCc2c[nH]c3ccccc23)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O | 10.1021/jm061278q | ||
| CHEMBL261515 | 96311 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 454 | 8 | 5 | 10 | 1.0 | CCNc1nc(OCCc2c[nH]c3ccccc23)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O | 10.1021/jm061278q | ||
| 377 | 2738 | 53 | None | -48 | 10 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/jm4011669 | ||
| 425 | 2738 | 53 | None | -48 | 10 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/jm4011669 | ||
| 448222 | 2738 | 53 | None | -48 | 10 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/jm4011669 | ||
| CHEMBL464859 | 2738 | 53 | None | -48 | 10 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/jm4011669 | ||
| 10449535 | 76905 | 0 | None | -2187 | 3 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 334 | 3 | 4 | 9 | -1.3 | Nc1ncnc2c1ncn2[C@@H]1O[C@H](C(=O)NC2CCC2)[C@@H](O)[C@H]1O | 10.1021/jm9804984 | ||
| CHEMBL2070507 | 76905 | 0 | None | -2187 | 3 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 334 | 3 | 4 | 9 | -1.3 | Nc1ncnc2c1ncn2[C@@H]1O[C@H](C(=O)NC2CCC2)[C@@H](O)[C@H]1O | 10.1021/jm9804984 | ||
| 377 | 2738 | 53 | None | -48 | 10 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/acs.jmedchem.2c00320 | ||
| 425 | 2738 | 53 | None | -48 | 10 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/acs.jmedchem.2c00320 | ||
| 448222 | 2738 | 53 | None | -48 | 10 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/acs.jmedchem.2c00320 | ||
| CHEMBL464859 | 2738 | 53 | None | -48 | 10 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/acs.jmedchem.2c00320 | ||
| 145967103 | 164113 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 376 | 6 | 2 | 7 | 3.5 | CCOc1ccc(-c2c(C#N)c(N)nc(SCc3ccn[nH]3)c2C#N)cc1 | 10.1016/j.ejmech.2018.02.081 | ||
| CHEMBL4210096 | 164113 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 376 | 6 | 2 | 7 | 3.5 | CCOc1ccc(-c2c(C#N)c(N)nc(SCc3ccn[nH]3)c2C#N)cc1 | 10.1016/j.ejmech.2018.02.081 | ||
| 127043828 | 141100 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 538 | 15 | 0 | 9 | 4.1 | CCCCn1c(=O)c2c(nc3n2CCCN3CCc2ccc(OCCN(CC)CC)cc2)n(CCCC)c1=O | 10.1016/j.bmc.2016.07.028 | ||
| CHEMBL3827331 | 141100 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 538 | 15 | 0 | 9 | 4.1 | CCCCn1c(=O)c2c(nc3n2CCCN3CCc2ccc(OCCN(CC)CC)cc2)n(CCCC)c1=O | 10.1016/j.bmc.2016.07.028 | ||
| 15729982 | 7868 | 0 | None | - | 1 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 245 | 2 | 1 | 8 | 0.4 | CN(C)c1nc(N)n2nc(-c3ccco3)nc2n1 | 10.1016/j.bmc.2010.02.039 | ||
| CHEMBL1090124 | 7868 | 0 | None | - | 1 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 245 | 2 | 1 | 8 | 0.4 | CN(C)c1nc(N)n2nc(-c3ccco3)nc2n1 | 10.1016/j.bmc.2010.02.039 | ||
| 11256992 | 17912 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 362 | 5 | 2 | 7 | 3.1 | COc1cccc(-c2c(C#N)c(N)nc(SCc3ncc[nH]3)c2C#N)c1 | 10.1021/jm049947s | ||
| CHEMBL125979 | 17912 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 362 | 5 | 2 | 7 | 3.1 | COc1cccc(-c2c(C#N)c(N)nc(SCc3ncc[nH]3)c2C#N)c1 | 10.1021/jm049947s | ||
| 51112335 | 162211 | 6 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 311 | 4 | 2 | 6 | 2.4 | Cc1cc(NC(=O)CNc2ccc3c(c2)OC(F)(F)O3)on1 | 10.1016/j.ejmech.2017.05.035 | ||
| CHEMBL4163380 | 162211 | 6 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 311 | 4 | 2 | 6 | 2.4 | Cc1cc(NC(=O)CNc2ccc3c(c2)OC(F)(F)O3)on1 | 10.1016/j.ejmech.2017.05.035 | ||
| 56783276 | 162447 | 3 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 319 | 6 | 1 | 7 | 1.6 | CC(C)c1noc(OCC(=O)NCc2ccc3c(c2)OCO3)n1 | 10.1016/j.ejmech.2017.05.035 | ||
| CHEMBL4167064 | 162447 | 3 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 319 | 6 | 1 | 7 | 1.6 | CC(C)c1noc(OCC(=O)NCc2ccc3c(c2)OCO3)n1 | 10.1016/j.ejmech.2017.05.035 | ||
| 16103186 | 158824 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 481 | 6 | 5 | 11 | 0.4 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NNC(=O)c4sccc4C)nc(Cl)nc32)[C@H](O)[C@@H]1O | 10.1021/jm061170a | ||
| CHEMBL409483 | 158824 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 481 | 6 | 5 | 11 | 0.4 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NNC(=O)c4sccc4C)nc(Cl)nc32)[C@H](O)[C@@H]1O | 10.1021/jm061170a | ||
| 3071852 | 8365 | 7 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 294 | 3 | 1 | 8 | 2.2 | Nc1nc(Oc2ccccc2)nc2nc(-c3ccco3)nn12 | 10.1016/j.bmc.2010.02.039 | ||
| CHEMBL1093313 | 8365 | 7 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 294 | 3 | 1 | 8 | 2.2 | Nc1nc(Oc2ccccc2)nc2nc(-c3ccco3)nn12 | 10.1016/j.bmc.2010.02.039 | ||
| 145965011 | 164176 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 470 | 8 | 1 | 8 | 4.9 | COC(=O)c1cccc(CSc2nc(N)c(C#N)c(-c3ccc(OCC4CC4)cc3)c2C#N)c1 | 10.1016/j.ejmech.2018.02.081 | ||
| CHEMBL4210852 | 164176 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 470 | 8 | 1 | 8 | 4.9 | COC(=O)c1cccc(CSc2nc(N)c(C#N)c(-c3ccc(OCC4CC4)cc3)c2C#N)c1 | 10.1016/j.ejmech.2018.02.081 | ||
| 118732971 | 118485 | 0 | None | -147 | 4 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 333 | 3 | 3 | 12 | -1.6 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)n1 | 10.1021/acs.jmedchem.5b00074 | ||
| CHEMBL3414936 | 118485 | 0 | None | -147 | 4 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 333 | 3 | 3 | 12 | -1.6 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)n1 | 10.1021/acs.jmedchem.5b00074 | ||
| 131432 | 137032 | 12 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 387 | 6 | 4 | 10 | -0.4 | Nc1nc(OCCc2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O | 10.1021/jm061278q | ||
| CHEMBL374685 | 137032 | 12 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 387 | 6 | 4 | 10 | -0.4 | Nc1nc(OCCc2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O | 10.1021/jm061278q | ||
| 137661505 | 159472 | 0 | None | 2 | 4 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 815 | 15 | 6 | 13 | 6.1 | Nc1sc(-c2cccc(C(=O)NCCCCCCNc3ncnc4c3ncn4[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2)c(-c2cccc(C(F)(F)F)c2)c1C(=O)c1ccccc1 | 10.1021/acs.jmedchem.8b00047 | ||
| CHEMBL4101850 | 159472 | 0 | None | 2 | 4 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 815 | 15 | 6 | 13 | 6.1 | Nc1sc(-c2cccc(C(=O)NCCCCCCNc3ncnc4c3ncn4[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2)c(-c2cccc(C(F)(F)F)c2)c1C(=O)c1ccccc1 | 10.1021/acs.jmedchem.8b00047 | ||
| 44423820 | 142074 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 577 | 9 | 5 | 13 | 1.1 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(Nc4ccc(OCC(=O)Nc5ccc6c(c5)OCO6)cc4)ncnc32)[C@H](O)[C@@H]1O | 10.1016/j.bmc.2007.01.055 | ||
| CHEMBL388194 | 142074 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 577 | 9 | 5 | 13 | 1.1 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(Nc4ccc(OCC(=O)Nc5ccc6c(c5)OCO6)cc4)ncnc32)[C@H](O)[C@@H]1O | 10.1016/j.bmc.2007.01.055 | ||
| 118732973 | 118488 | 0 | None | -446 | 4 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 381 | 4 | 3 | 12 | -0.5 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(NC)nc(Cl)nc43)[C@H](O)[C@@H]2O)n1 | 10.1021/acs.jmedchem.5b00074 | ||
| CHEMBL3414939 | 118488 | 0 | None | -446 | 4 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 381 | 4 | 3 | 12 | -0.5 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(NC)nc(Cl)nc43)[C@H](O)[C@@H]2O)n1 | 10.1021/acs.jmedchem.5b00074 | ||
| 57387825 | 75449 | 0 | None | -8 | 4 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 505 | 7 | 5 | 10 | 0.6 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(NCCc4ccc(Br)cc4)nc32)[C@H](O)[C@@H]1O | 10.1021/jm300206u | ||
| CHEMBL2042300 | 75449 | 0 | None | -8 | 4 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 505 | 7 | 5 | 10 | 0.6 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(NCCc4ccc(Br)cc4)nc32)[C@H](O)[C@@H]1O | 10.1021/jm300206u | ||
| 16103187 | 83268 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 450 | 6 | 6 | 10 | -0.7 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NNC(=O)c4ccc[nH]4)nc(Cl)nc32)[C@H](O)[C@@H]1O | 10.1021/jm061170a | ||
| CHEMBL218989 | 83268 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 450 | 6 | 6 | 10 | -0.7 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NNC(=O)c4ccc[nH]4)nc(Cl)nc32)[C@H](O)[C@@H]1O | 10.1021/jm061170a | ||
| 44423828 | 85372 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 597 | 10 | 5 | 12 | 2.0 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(Nc4ccc(OCC(=O)Nc5ccc(OC)cc5)cc4)nc(Cl)nc32)[C@H](O)[C@@H]1O | 10.1016/j.bmc.2007.01.055 | ||
| CHEMBL226305 | 85372 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 597 | 10 | 5 | 12 | 2.0 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(Nc4ccc(OCC(=O)Nc5ccc(OC)cc5)cc4)nc(Cl)nc32)[C@H](O)[C@@H]1O | 10.1016/j.bmc.2007.01.055 | ||
| 377 | 2738 | 53 | None | -48 | 10 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/jm061279i | ||
| 425 | 2738 | 53 | None | -48 | 10 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/jm061279i | ||
| 448222 | 2738 | 53 | None | -48 | 10 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/jm061279i | ||
| CHEMBL464859 | 2738 | 53 | None | -48 | 10 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/jm061279i | ||
| 16203540 | 84597 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 504 | 6 | 5 | 10 | 0.9 | Nc1nc(OCCc2c[nH]c3ccc(Br)cc23)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O | 10.1021/jm061278q | ||
| CHEMBL222194 | 84597 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 504 | 6 | 5 | 10 | 0.9 | Nc1nc(OCCc2c[nH]c3ccc(Br)cc23)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O | 10.1021/jm061278q | ||
| 16103177 | 83340 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 495 | 6 | 5 | 11 | -0.3 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NNC(=O)c4ccc(Br)o4)ncnc32)[C@H](O)[C@@H]1O | 10.1021/jm061170a | ||
| CHEMBL219361 | 83340 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 495 | 6 | 5 | 11 | -0.3 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NNC(=O)c4ccc(Br)o4)ncnc32)[C@H](O)[C@@H]1O | 10.1021/jm061170a | ||
| 21128750 | 201640 | 0 | None | - | 1 | Human | 4.4 | pEC50 | = | 4.4 | Functional | ChEMBL | 322 | 3 | 4 | 9 | -1.4 | CC(C)NC(=O)[C@H]1OC(n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O | 10.1021/jm9804984 | ||
| CHEMBL606095 | 201640 | 0 | None | - | 1 | Human | 4.4 | pEC50 | = | 4.4 | Functional | ChEMBL | 322 | 3 | 4 | 9 | -1.4 | CC(C)NC(=O)[C@H]1OC(n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O | 10.1021/jm9804984 | ||
| 137658761 | 159158 | 0 | None | -66 | 3 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 413 | 4 | 3 | 8 | 2.2 | O[C@@H]1[C@@H](CCl)O[C@@H](n2cnc3c(Nc4ccc(Cl)cc4F)ncnc32)[C@@H]1O | 10.1021/acs.jmedchem.7b01399 | ||
| CHEMBL4098408 | 159158 | 0 | None | -66 | 3 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 413 | 4 | 3 | 8 | 2.2 | O[C@@H]1[C@@H](CCl)O[C@@H](n2cnc3c(Nc4ccc(Cl)cc4F)ncnc32)[C@@H]1O | 10.1021/acs.jmedchem.7b01399 | ||
| 145975919 | 163841 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 353 | 6 | 2 | 7 | 2.1 | CCOc1ccc(-c2c(C#N)c(N)nc(SCC(N)=O)c2C#N)cc1 | 10.1016/j.ejmech.2018.02.081 | ||
| CHEMBL4206762 | 163841 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 353 | 6 | 2 | 7 | 2.1 | CCOc1ccc(-c2c(C#N)c(N)nc(SCC(N)=O)c2C#N)cc1 | 10.1016/j.ejmech.2018.02.081 | ||
| 377 | 2738 | 53 | None | -48 | 10 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1016/j.bmcl.2009.11.131 | ||
| 425 | 2738 | 53 | None | -48 | 10 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1016/j.bmcl.2009.11.131 | ||
| 448222 | 2738 | 53 | None | -48 | 10 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1016/j.bmcl.2009.11.131 | ||
| CHEMBL464859 | 2738 | 53 | None | -48 | 10 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1016/j.bmcl.2009.11.131 | ||
| 168269860 | 189952 | 0 | None | -17782 | 3 | Human | 4.4 | pEC50 | = | 4.4 | Functional | ChEMBL | 512 | 9 | 4 | 11 | 1.1 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCC[C@H]4OCc4cccc(OC)c4)ncnc32)[C@H](O)[C@@H]1O | 10.1021/acs.jmedchem.2c01414 | ||
| CHEMBL5170857 | 189952 | 0 | None | -17782 | 3 | Human | 4.4 | pEC50 | = | 4.4 | Functional | ChEMBL | 512 | 9 | 4 | 11 | 1.1 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCC[C@H]4OCc4cccc(OC)c4)ncnc32)[C@H](O)[C@@H]1O | 10.1021/acs.jmedchem.2c01414 | ||
| 118734376 | 118612 | 0 | None | -14 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 602 | 10 | 4 | 12 | 1.5 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(N4CCN(c5ccc(OCCCc6ccccc6)cc5)CC4)nc32)[C@H](O)[C@@H]1O | 10.1021/acs.jmedchem.5b00215 | ||
| CHEMBL3416810 | 118612 | 0 | None | -14 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 602 | 10 | 4 | 12 | 1.5 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(N4CCN(c5ccc(OCCCc6ccccc6)cc5)CC4)nc32)[C@H](O)[C@@H]1O | 10.1021/acs.jmedchem.5b00215 | ||
| 3086599 | 901 | 45 | None | -1 | 6 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 499 | 10 | 6 | 11 | -0.2 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(NCCc1ccc(cc1)CCC(=O)O)nc2N | 10.1039/C3MD00364G | ||
| 375 | 901 | 45 | None | -1 | 6 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 499 | 10 | 6 | 11 | -0.2 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(NCCc1ccc(cc1)CCC(=O)O)nc2N | 10.1039/C3MD00364G | ||
| 424 | 901 | 45 | None | -1 | 6 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 499 | 10 | 6 | 11 | -0.2 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(NCCc1ccc(cc1)CCC(=O)O)nc2N | 10.1039/C3MD00364G | ||
| CHEMBL331372 | 901 | 45 | None | -1 | 6 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 499 | 10 | 6 | 11 | -0.2 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(NCCc1ccc(cc1)CCC(=O)O)nc2N | 10.1039/C3MD00364G | ||
| 76336527 | 106036 | 0 | None | -630 | 4 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 433 | 5 | 5 | 10 | 0.0 | CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4cccc(Cl)c4)nc(N)nc32)[C@H](O)[C@@H]1O | 10.1039/C3MD00364G | ||
| CHEMBL3133161 | 106036 | 0 | None | -630 | 4 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 433 | 5 | 5 | 10 | 0.0 | CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4cccc(Cl)c4)nc(N)nc32)[C@H](O)[C@@H]1O | 10.1039/C3MD00364G | ||
| 71657835 | 159713 | 3 | None | -1 | 4 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 815 | 15 | 6 | 13 | 6.1 | Nc1sc(-c2ccc(C(=O)NCCCCCCNc3ncnc4c3ncn4[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)cc2)c(-c2cccc(C(F)(F)F)c2)c1C(=O)c1ccccc1 | 10.1021/acs.jmedchem.2c00320 | ||
| CHEMBL4104819 | 159713 | 3 | None | -1 | 4 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 815 | 15 | 6 | 13 | 6.1 | Nc1sc(-c2ccc(C(=O)NCCCCCCNc3ncnc4c3ncn4[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)cc2)c(-c2cccc(C(F)(F)F)c2)c1C(=O)c1ccccc1 | 10.1021/acs.jmedchem.2c00320 | ||
| 377 | 2738 | 53 | None | -48 | 10 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/acs.jmedchem.2c00320 | ||
| 425 | 2738 | 53 | None | -48 | 10 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/acs.jmedchem.2c00320 | ||
| 448222 | 2738 | 53 | None | -48 | 10 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/acs.jmedchem.2c00320 | ||
| CHEMBL464859 | 2738 | 53 | None | -48 | 10 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/acs.jmedchem.2c00320 | ||
| 57384544 | 75458 | 0 | None | -57 | 4 | Human | 4.4 | pEC50 | = | 4.4 | Functional | ChEMBL | 854 | 14 | 7 | 12 | 7.0 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(NCCc4ccc(NC(=O)c5cc(C(C)(C)C)c(O)c(C(C)(C)C)c5)cc4)nc32)[C@H](O)[C@@H]1O | 10.1021/jm300206u | ||
| CHEMBL2042309 | 75458 | 0 | None | -57 | 4 | Human | 4.4 | pEC50 | = | 4.4 | Functional | ChEMBL | 854 | 14 | 7 | 12 | 7.0 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(NCCc4ccc(NC(=O)c5cc(C(C)(C)C)c(O)c(C(C)(C)C)c5)cc4)nc32)[C@H](O)[C@@H]1O | 10.1021/jm300206u | ||
| 137647420 | 157677 | 0 | None | -194 | 4 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 501 | 6 | 3 | 12 | 1.2 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(NCc5cccc(Br)c5)ncnc43)[C@H](O)[C@@H]2O)n1 | 10.1021/acs.jmedchem.7b00291 | ||
| CHEMBL4081876 | 157677 | 0 | None | -194 | 4 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 501 | 6 | 3 | 12 | 1.2 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(NCc5cccc(Br)c5)ncnc43)[C@H](O)[C@@H]2O)n1 | 10.1021/acs.jmedchem.7b00291 | ||
| 44423827 | 85384 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 567 | 9 | 5 | 11 | 2.0 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(Nc4ccc(OCC(=O)Nc5ccccc5)cc4)nc(Cl)nc32)[C@H](O)[C@@H]1O | 10.1016/j.bmc.2007.01.055 | ||
| CHEMBL226356 | 85384 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 567 | 9 | 5 | 11 | 2.0 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(Nc4ccc(OCC(=O)Nc5ccccc5)cc4)nc(Cl)nc32)[C@H](O)[C@@H]1O | 10.1016/j.bmc.2007.01.055 | ||
| 377 | 2738 | 53 | None | -48 | 10 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/acs.jmedchem.6b01561 | ||
| 425 | 2738 | 53 | None | -48 | 10 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/acs.jmedchem.6b01561 | ||
| 448222 | 2738 | 53 | None | -48 | 10 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/acs.jmedchem.6b01561 | ||
| CHEMBL464859 | 2738 | 53 | None | -48 | 10 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/acs.jmedchem.6b01561 | ||
| 46885404 | 7991 | 0 | None | - | 1 | Human | 4.4 | pEC50 | = | 4.4 | Functional | ChEMBL | 396 | 6 | 1 | 9 | 2.7 | COc1ccc(CC(=O)Nc2nc(SC)nc3nc(-c4ccco4)nn23)cc1 | 10.1016/j.bmc.2010.02.039 | ||
| CHEMBL1090806 | 7991 | 0 | None | - | 1 | Human | 4.4 | pEC50 | = | 4.4 | Functional | ChEMBL | 396 | 6 | 1 | 9 | 2.7 | COc1ccc(CC(=O)Nc2nc(SC)nc3nc(-c4ccco4)nn23)cc1 | 10.1016/j.bmc.2010.02.039 | ||
| 168293442 | 192111 | 0 | None | -17782 | 4 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 546 | 7 | 4 | 10 | 1.8 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCC[C@H]4Oc4cccc(Br)c4)ncnc32)[C@H](O)[C@@H]1O | 10.1021/acs.jmedchem.2c01414 | ||
| CHEMBL5203632 | 192111 | 0 | None | -17782 | 4 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 546 | 7 | 4 | 10 | 1.8 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCC[C@H]4Oc4cccc(Br)c4)ncnc32)[C@H](O)[C@@H]1O | 10.1021/acs.jmedchem.2c01414 | ||
| 168297905 | 192407 | 0 | None | -2041 | 4 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 516 | 8 | 4 | 10 | 1.8 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCC[C@H]4OCc4ccccc4Cl)ncnc32)[C@H](O)[C@@H]1O | 10.1021/acs.jmedchem.2c01414 | ||
| CHEMBL5208245 | 192407 | 0 | None | -2041 | 4 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 516 | 8 | 4 | 10 | 1.8 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCC[C@H]4OCc4ccccc4Cl)ncnc32)[C@H](O)[C@@H]1O | 10.1021/acs.jmedchem.2c01414 | ||
| 377 | 2738 | 53 | None | -48 | 10 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/jm031143+ | ||
| 425 | 2738 | 53 | None | -48 | 10 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/jm031143+ | ||
| 448222 | 2738 | 53 | None | -48 | 10 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/jm031143+ | ||
| CHEMBL464859 | 2738 | 53 | None | -48 | 10 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/jm031143+ | ||
| 137646655 | 157602 | 0 | None | -6 | 4 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 711 | 13 | 6 | 12 | 4.8 | Nc1cc(-c2cccc(C(F)(F)F)c2)c(-c2ccc(C(=O)NCCCCCCNc3ncnc4c3ncn4[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)cc2)s1 | 10.1021/acs.jmedchem.8b00047 | ||
| CHEMBL4081224 | 157602 | 0 | None | -6 | 4 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 711 | 13 | 6 | 12 | 4.8 | Nc1cc(-c2cccc(C(F)(F)F)c2)c(-c2ccc(C(=O)NCCCCCCNc3ncnc4c3ncn4[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)cc2)s1 | 10.1021/acs.jmedchem.8b00047 | ||
| 44423818 | 85357 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 593 | 11 | 5 | 13 | 1.4 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(Nc4ccc(OCC(=O)Nc5ccc(OC)c(OC)c5)cc4)ncnc32)[C@H](O)[C@@H]1O | 10.1016/j.bmc.2007.01.055 | ||
| CHEMBL226244 | 85357 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 593 | 11 | 5 | 13 | 1.4 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(Nc4ccc(OCC(=O)Nc5ccc(OC)c(OC)c5)cc4)ncnc32)[C@H](O)[C@@H]1O | 10.1016/j.bmc.2007.01.055 | ||
| 16103184 | 83267 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 467 | 6 | 5 | 11 | 0.1 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NNC(=O)c4ccsc4)nc(Cl)nc32)[C@H](O)[C@@H]1O | 10.1021/jm061170a | ||
| CHEMBL218988 | 83267 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 467 | 6 | 5 | 11 | 0.1 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NNC(=O)c4ccsc4)nc(Cl)nc32)[C@H](O)[C@@H]1O | 10.1021/jm061170a | ||
| 3042985 | 79203 | 2 | None | - | 1 | Human | 4.4 | pEC50 | = | 4.4 | Functional | ChEMBL | 310 | 3 | 4 | 10 | -2.3 | CONC(=O)[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O | 10.1021/jm9804984 | ||
| CHEMBL2113434 | 79203 | 2 | None | - | 1 | Human | 4.4 | pEC50 | = | 4.4 | Functional | ChEMBL | 310 | 3 | 4 | 10 | -2.3 | CONC(=O)[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O | 10.1021/jm9804984 | ||
| 98567 | 191757 | 18 | None | -1174 | 3 | Human | 4.4 | pEC50 | = | 4.4 | Functional | ChEMBL | 294 | 2 | 4 | 9 | -2.2 | CNC(=O)[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O | 10.1021/jm9804984 | ||
| CHEMBL519809 | 191757 | 18 | None | -1174 | 3 | Human | 4.4 | pEC50 | = | 4.4 | Functional | ChEMBL | 294 | 2 | 4 | 9 | -2.2 | CNC(=O)[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O | 10.1021/jm9804984 | ||
| 16365293 | 162874 | 3 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 344 | 5 | 2 | 8 | 0.6 | CC(OC(=O)c1nccnc1N)C(=O)NCc1ccc2c(c1)OCO2 | 10.1016/j.ejmech.2017.05.035 | ||
| CHEMBL4173768 | 162874 | 3 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 344 | 5 | 2 | 8 | 0.6 | CC(OC(=O)c1nccnc1N)C(=O)NCc1ccc2c(c1)OCO2 | 10.1016/j.ejmech.2017.05.035 | ||
| 137652475 | 157121 | 0 | None | -6 | 4 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 829 | 16 | 6 | 13 | 6.5 | Nc1sc(-c2ccc(C(=O)NCCCCCCCNc3ncnc4c3ncn4[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)cc2)c(-c2cccc(C(F)(F)F)c2)c1C(=O)c1ccccc1 | 10.1021/acs.jmedchem.8b00047 | ||
| CHEMBL4075186 | 157121 | 0 | None | -6 | 4 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 829 | 16 | 6 | 13 | 6.5 | Nc1sc(-c2ccc(C(=O)NCCCCCCCNc3ncnc4c3ncn4[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)cc2)c(-c2cccc(C(F)(F)F)c2)c1C(=O)c1ccccc1 | 10.1021/acs.jmedchem.8b00047 | ||
| 10256007 | 122903 | 0 | None | -47 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 516 | 8 | 5 | 14 | 0.1 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(N)nc(N[C@H](CO)Cc5ccc(Cl)cc5)nc43)[C@H](O)[C@@H]2O)n1 | 10.1021/jm031143+ | ||
| CHEMBL360646 | 122903 | 0 | None | -47 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 516 | 8 | 5 | 14 | 0.1 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(N)nc(N[C@H](CO)Cc5ccc(Cl)cc5)nc43)[C@H](O)[C@@H]2O)n1 | 10.1021/jm031143+ | ||
| 10388920 | 69795 | 7 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 447 | 7 | 4 | 9 | 1.7 | OC[C@H]1O[C@@H](n2cnc3c(NCC(c4ccccc4)c4ccccc4)ncnc32)[C@H](O)[C@@H]1O | 10.1021/acsmedchemlett.0c00509 | ||
| CHEMBL193692 | 69795 | 7 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 447 | 7 | 4 | 9 | 1.7 | OC[C@H]1O[C@@H](n2cnc3c(NCC(c4ccccc4)c4ccccc4)ncnc32)[C@H](O)[C@@H]1O | 10.1021/acsmedchemlett.0c00509 | ||
| 168285984 | 191718 | 0 | None | -5248 | 4 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 461 | 6 | 4 | 10 | 1.5 | OC[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCC[C@H]4Oc4ccccc4Cl)ncnc32)[C@H](O)[C@@H]1O | 10.1021/acs.jmedchem.2c01414 | ||
| CHEMBL5197358 | 191718 | 0 | None | -5248 | 4 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 461 | 6 | 4 | 10 | 1.5 | OC[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCC[C@H]4Oc4ccccc4Cl)ncnc32)[C@H](O)[C@@H]1O | 10.1021/acs.jmedchem.2c01414 | ||
| 76336526 | 106030 | 0 | None | -501 | 3 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 351 | 5 | 5 | 10 | -1.4 | CCCNc1nc(N)nc2c1ncn2[C@@H]1O[C@H](C(=O)NC)[C@@H](O)[C@H]1O | 10.1039/C3MD00364G | ||
| CHEMBL3133155 | 106030 | 0 | None | -501 | 3 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 351 | 5 | 5 | 10 | -1.4 | CCCNc1nc(N)nc2c1ncn2[C@@H]1O[C@H](C(=O)NC)[C@@H](O)[C@H]1O | 10.1039/C3MD00364G | ||
| 145972065 | 164518 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 403 | 7 | 2 | 8 | 3.3 | N#Cc1c(N)nc(SCc2ncn[nH]2)c(C#N)c1-c1ccc(OCC2CC2)cc1 | 10.1016/j.ejmech.2018.02.081 | ||
| CHEMBL4215091 | 164518 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 403 | 7 | 2 | 8 | 3.3 | N#Cc1c(N)nc(SCc2ncn[nH]2)c(C#N)c1-c1ccc(OCC2CC2)cc1 | 10.1016/j.ejmech.2018.02.081 | ||
| 9869857 | 66800 | 11 | None | -213 | 5 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 482 | 8 | 5 | 14 | -0.6 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(N)nc(N[C@H](CO)Cc5ccccc5)nc43)[C@H](O)[C@@H]2O)n1 | 10.1016/j.bmcl.2009.11.131 | ||
| CHEMBL186113 | 66800 | 11 | None | -213 | 5 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 482 | 8 | 5 | 14 | -0.6 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(N)nc(N[C@H](CO)Cc5ccccc5)nc43)[C@H](O)[C@@H]2O)n1 | 10.1016/j.bmcl.2009.11.131 | ||
| 168297825 | 192259 | 0 | None | -8317 | 4 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 461 | 6 | 4 | 10 | 1.5 | OC[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCC[C@H]4Oc4cccc(Cl)c4)ncnc32)[C@H](O)[C@@H]1O | 10.1021/acs.jmedchem.2c01414 | ||
| CHEMBL5205907 | 192259 | 0 | None | -8317 | 4 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 461 | 6 | 4 | 10 | 1.5 | OC[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCC[C@H]4Oc4cccc(Cl)c4)ncnc32)[C@H](O)[C@@H]1O | 10.1021/acs.jmedchem.2c01414 | ||
| 168286257 | 191572 | 0 | None | 6 | 4 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 863 | 14 | 6 | 13 | 6.3 | Nc1sc(-c2ccc(C(=O)NCCc3ccc(CCNc4ncnc5c4ncn5[C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)cc3)cc2)c(-c2cccc(C(F)(F)F)c2)c1C(=O)c1ccccc1 | 10.1021/acs.jmedchem.2c00320 | ||
| CHEMBL5195260 | 191572 | 0 | None | 6 | 4 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 863 | 14 | 6 | 13 | 6.3 | Nc1sc(-c2ccc(C(=O)NCCc3ccc(CCNc4ncnc5c4ncn5[C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)cc3)cc2)c(-c2cccc(C(F)(F)F)c2)c1C(=O)c1ccccc1 | 10.1021/acs.jmedchem.2c00320 | ||
| 2844 | 282 | 107 | None | -16 | 5 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 267 | 2 | 4 | 9 | -2.0 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/acs.jmedchem.2c01414 | ||
| 60961 | 282 | 107 | None | -16 | 5 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 267 | 2 | 4 | 9 | -2.0 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/acs.jmedchem.2c01414 | ||
| 90 | 282 | 107 | None | -16 | 5 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 267 | 2 | 4 | 9 | -2.0 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/acs.jmedchem.2c01414 | ||
| CHEMBL477 | 282 | 107 | None | -16 | 5 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 267 | 2 | 4 | 9 | -2.0 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/acs.jmedchem.2c01414 | ||
| DB00640 | 282 | 107 | None | -16 | 5 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 267 | 2 | 4 | 9 | -2.0 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/acs.jmedchem.2c01414 | ||
| 168293183 | 192102 | 0 | None | 1 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 767 | 16 | 6 | 13 | 4.7 | Nc1sc(CCC(=O)NCCCCCCNc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(-c2cccc(C(F)(F)F)c2)c1C(=O)c1ccccc1 | 10.1021/acs.jmedchem.2c00320 | ||
| CHEMBL5203535 | 192102 | 0 | None | 1 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 767 | 16 | 6 | 13 | 4.7 | Nc1sc(CCC(=O)NCCCCCCNc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(-c2cccc(C(F)(F)F)c2)c1C(=O)c1ccccc1 | 10.1021/acs.jmedchem.2c00320 | ||
| 137642153 | 158344 | 0 | None | -35 | 4 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 429 | 6 | 3 | 13 | 0.5 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(NCc5cccs5)ncnc43)[C@H](O)[C@@H]2O)n1 | 10.1021/acs.jmedchem.7b00291 | ||
| CHEMBL4089741 | 158344 | 0 | None | -35 | 4 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 429 | 6 | 3 | 13 | 0.5 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(NCc5cccs5)ncnc43)[C@H](O)[C@@H]2O)n1 | 10.1021/acs.jmedchem.7b00291 | ||
| 44423819 | 85358 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 593 | 11 | 5 | 13 | 1.4 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(Nc4ccc(OCC(=O)Nc5cc(OC)cc(OC)c5)cc4)ncnc32)[C@H](O)[C@@H]1O | 10.1016/j.bmc.2007.01.055 | ||
| CHEMBL226245 | 85358 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 593 | 11 | 5 | 13 | 1.4 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(Nc4ccc(OCC(=O)Nc5cc(OC)cc(OC)c5)cc4)ncnc32)[C@H](O)[C@@H]1O | 10.1016/j.bmc.2007.01.055 | ||
| 118732980 | 118495 | 0 | None | -63 | 4 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 461 | 5 | 3 | 12 | 1.4 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(Nc5ccc(Cl)cc5F)ncnc43)[C@H](O)[C@@H]2O)n1 | 10.1021/acs.jmedchem.5b00074 | ||
| CHEMBL3414946 | 118495 | 0 | None | -63 | 4 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 461 | 5 | 3 | 12 | 1.4 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(Nc5ccc(Cl)cc5F)ncnc43)[C@H](O)[C@@H]2O)n1 | 10.1021/acs.jmedchem.5b00074 | ||
| 10403711 | 96304 | 33 | None | -501 | 3 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 320 | 3 | 4 | 9 | -1.7 | Nc1ncnc2c1ncn2[C@@H]1O[C@H](C(=O)NC2CC2)[C@@H](O)[C@H]1O | 10.1021/jm9804984 | ||
| CHEMBL261482 | 96304 | 33 | None | -501 | 3 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 320 | 3 | 4 | 9 | -1.7 | Nc1ncnc2c1ncn2[C@@H]1O[C@H](C(=O)NC2CC2)[C@@H](O)[C@H]1O | 10.1021/jm9804984 | ||
| 44420926 | 138039 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 350 | 4 | 6 | 9 | -2.1 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC(=N)N)ncnc32)[C@H](O)[C@@H]1O | 10.1021/jm061278q | ||
| CHEMBL376542 | 138039 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 350 | 4 | 6 | 9 | -2.1 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC(=N)N)ncnc32)[C@H](O)[C@@H]1O | 10.1021/jm061278q | ||
| 215610 | 76906 | 4 | None | -239 | 2 | Human | 4.3 | pEC50 | = | 4.3 | Functional | ChEMBL | 348 | 3 | 4 | 9 | -0.9 | Nc1ncnc2c1ncn2[C@@H]1O[C@H](C(=O)NC2CCCC2)[C@@H](O)[C@H]1O | 10.1021/jm9804984 | ||
| CHEMBL2070508 | 76906 | 4 | None | -239 | 2 | Human | 4.3 | pEC50 | = | 4.3 | Functional | ChEMBL | 348 | 3 | 4 | 9 | -0.9 | Nc1ncnc2c1ncn2[C@@H]1O[C@H](C(=O)NC2CCCC2)[C@@H](O)[C@H]1O | 10.1021/jm9804984 | ||
| 56627882 | 118486 | 0 | None | -141 | 4 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 367 | 3 | 3 | 12 | -0.9 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(N)nc(Cl)nc43)[C@H](O)[C@@H]2O)n1 | 10.1021/acs.jmedchem.5b00074 | ||
| CHEMBL3414937 | 118486 | 0 | None | -141 | 4 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 367 | 3 | 3 | 12 | -0.9 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(N)nc(Cl)nc43)[C@H](O)[C@@H]2O)n1 | 10.1021/acs.jmedchem.5b00074 | ||
| 11157262 | 123614 | 0 | None | -537 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 560 | 8 | 5 | 14 | 0.2 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(N)nc(N[C@H](CO)Cc5ccc(Br)cc5)nc43)[C@H](O)[C@@H]2O)n1 | 10.1021/jm031143+ | ||
| CHEMBL361925 | 123614 | 0 | None | -537 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 560 | 8 | 5 | 14 | 0.2 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(N)nc(N[C@H](CO)Cc5ccc(Br)cc5)nc43)[C@H](O)[C@@H]2O)n1 | 10.1021/jm031143+ | ||
| 137638080 | 156811 | 0 | None | -269 | 4 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 457 | 6 | 3 | 12 | 1.1 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(NCc5cccc(Cl)c5)ncnc43)[C@H](O)[C@@H]2O)n1 | 10.1021/acs.jmedchem.7b00291 | ||
| CHEMBL4071338 | 156811 | 0 | None | -269 | 4 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 457 | 6 | 3 | 12 | 1.1 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(NCc5cccc(Cl)c5)ncnc43)[C@H](O)[C@@H]2O)n1 | 10.1021/acs.jmedchem.7b00291 | ||
| 168293564 | 192133 | 0 | None | 45 | 4 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 849 | 13 | 6 | 13 | 6.8 | Nc1sc(-c2ccc(C(=O)NCCCc3ccc(Nc4ncnc5c4ncn5[C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)cc3)cc2)c(-c2cccc(C(F)(F)F)c2)c1C(=O)c1ccccc1 | 10.1021/acs.jmedchem.2c00320 | ||
| CHEMBL5203917 | 192133 | 0 | None | 45 | 4 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 849 | 13 | 6 | 13 | 6.8 | Nc1sc(-c2ccc(C(=O)NCCCc3ccc(Nc4ncnc5c4ncn5[C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)cc3)cc2)c(-c2cccc(C(F)(F)F)c2)c1C(=O)c1ccccc1 | 10.1021/acs.jmedchem.2c00320 | ||
| 137653409 | 159013 | 0 | None | -1 | 4 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 567 | 12 | 6 | 12 | 2.2 | Nc1ccc(-c2cccc(C(=O)NCCCCCCNc3ncnc4c3ncn4[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2)s1 | 10.1021/acs.jmedchem.8b00047 | ||
| CHEMBL4096796 | 159013 | 0 | None | -1 | 4 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 567 | 12 | 6 | 12 | 2.2 | Nc1ccc(-c2cccc(C(=O)NCCCCCCNc3ncnc4c3ncn4[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2)s1 | 10.1021/acs.jmedchem.8b00047 | ||
| 168288912 | 191604 | 0 | None | -4897 | 4 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 502 | 7 | 4 | 10 | 1.6 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCC[C@H]4Oc4ccccc4Cl)ncnc32)[C@H](O)[C@@H]1O | 10.1021/acs.jmedchem.2c01414 | ||
| CHEMBL5195714 | 191604 | 0 | None | -4897 | 4 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 502 | 7 | 4 | 10 | 1.6 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCC[C@H]4Oc4ccccc4Cl)ncnc32)[C@H](O)[C@@H]1O | 10.1021/acs.jmedchem.2c01414 | ||
| 16103169 | 82641 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 481 | 7 | 5 | 11 | -0.0 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NNC(=O)Cc4cccs4)nc(Cl)nc32)[C@H](O)[C@@H]1O | 10.1021/jm061170a | ||
| CHEMBL217952 | 82641 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 481 | 7 | 5 | 11 | -0.0 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NNC(=O)Cc4cccs4)nc(Cl)nc32)[C@H](O)[C@@H]1O | 10.1021/jm061170a | ||
| 57384288 | 75451 | 0 | None | -426 | 4 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 674 | 9 | 7 | 12 | 3.4 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(NCCc4ccc(NC(=O)c5cc(C(C)(C)C)c(O)c(C(C)(C)C)c5)cc4)nc32)[C@H](O)[C@@H]1O | 10.1021/jm300206u | ||
| CHEMBL2042302 | 75451 | 0 | None | -426 | 4 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 674 | 9 | 7 | 12 | 3.4 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(NCCc4ccc(NC(=O)c5cc(C(C)(C)C)c(O)c(C(C)(C)C)c5)cc4)nc32)[C@H](O)[C@@H]1O | 10.1021/jm300206u | ||
| 118719026 | 115409 | 0 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 582 | 13 | 4 | 8 | 2.1 | CC(C)(C)OC(=O)C1CCCN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1 | 10.1021/jm4011669 | ||
| CHEMBL3350613 | 115409 | 0 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 582 | 13 | 4 | 8 | 2.1 | CC(C)(C)OC(=O)C1CCCN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1 | 10.1021/jm4011669 | ||
| 137650461 | 157232 | 0 | None | -1 | 4 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 857 | 16 | 6 | 13 | 6.4 | CC(=O)Nc1sc(-c2ccc(C(=O)NCCCCCCNc3ncnc4c3ncn4[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)cc2)c(-c2cccc(C(F)(F)F)c2)c1C(=O)c1ccccc1 | 10.1021/acs.jmedchem.8b00047 | ||
| CHEMBL4076565 | 157232 | 0 | None | -1 | 4 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 857 | 16 | 6 | 13 | 6.4 | CC(=O)Nc1sc(-c2ccc(C(=O)NCCCCCCNc3ncnc4c3ncn4[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)cc2)c(-c2cccc(C(F)(F)F)c2)c1C(=O)c1ccccc1 | 10.1021/acs.jmedchem.8b00047 | ||
| 137634444 | 156139 | 0 | None | 1 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 801 | 14 | 6 | 13 | 5.7 | Nc1sc(-c2ccc(C(=O)NCCCCCNc3ncnc4c3ncn4[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)cc2)c(-c2cccc(C(F)(F)F)c2)c1C(=O)c1ccccc1 | 10.1021/acs.jmedchem.8b00047 | ||
| CHEMBL4063841 | 156139 | 0 | None | 1 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 801 | 14 | 6 | 13 | 5.7 | Nc1sc(-c2ccc(C(=O)NCCCCCNc3ncnc4c3ncn4[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)cc2)c(-c2cccc(C(F)(F)F)c2)c1C(=O)c1ccccc1 | 10.1021/acs.jmedchem.8b00047 | ||
| 377 | 2738 | 53 | None | -48 | 10 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/acs.jmedchem.2c01414 | ||
| 425 | 2738 | 53 | None | -48 | 10 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/acs.jmedchem.2c01414 | ||
| 448222 | 2738 | 53 | None | -48 | 10 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/acs.jmedchem.2c01414 | ||
| CHEMBL464859 | 2738 | 53 | None | -48 | 10 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/acs.jmedchem.2c01414 | ||
| 137642036 | 158128 | 0 | None | -177 | 4 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 387 | 6 | 3 | 12 | -0.4 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(NCC5CC5)ncnc43)[C@H](O)[C@@H]2O)n1 | 10.1021/acs.jmedchem.7b00291 | ||
| CHEMBL4087306 | 158128 | 0 | None | -177 | 4 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 387 | 6 | 3 | 12 | -0.4 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(NCC5CC5)ncnc43)[C@H](O)[C@@H]2O)n1 | 10.1021/acs.jmedchem.7b00291 | ||
| 57387822 | 75461 | 0 | None | -3 | 3 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 840 | 13 | 7 | 12 | 6.6 | CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(NCCc4ccc(NC(=O)c5cc(C(C)(C)C)c(O)c(C(C)(C)C)c5)cc4)nc32)[C@H](O)[C@@H]1O | 10.1021/jm300206u | ||
| CHEMBL2042312 | 75461 | 0 | None | -3 | 3 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 840 | 13 | 7 | 12 | 6.6 | CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(NCCc4ccc(NC(=O)c5cc(C(C)(C)C)c(O)c(C(C)(C)C)c5)cc4)nc32)[C@H](O)[C@@H]1O | 10.1021/jm300206u | ||
| 118732974 | 118489 | 0 | None | -47 | 4 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 373 | 5 | 3 | 12 | -0.6 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(NC5CC5)ncnc43)[C@H](O)[C@@H]2O)n1 | 10.1021/acs.jmedchem.5b00074 | ||
| CHEMBL3414940 | 118489 | 0 | None | -47 | 4 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 373 | 5 | 3 | 12 | -0.6 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(NC5CC5)ncnc43)[C@H](O)[C@@H]2O)n1 | 10.1021/acs.jmedchem.5b00074 | ||
| 118732975 | 118490 | 0 | None | -173 | 4 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 407 | 5 | 3 | 12 | 0.1 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(NC5CC5)nc(Cl)nc43)[C@H](O)[C@@H]2O)n1 | 10.1021/acs.jmedchem.7b00291 | ||
| CHEMBL3414941 | 118490 | 0 | None | -173 | 4 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 407 | 5 | 3 | 12 | 0.1 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(NC5CC5)nc(Cl)nc43)[C@H](O)[C@@H]2O)n1 | 10.1021/acs.jmedchem.7b00291 | ||
| 10436433 | 131347 | 0 | None | -478 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 512 | 9 | 5 | 15 | -0.6 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(N)nc(N[C@H](CO)Cc5ccc(OC)cc5)nc43)[C@H](O)[C@@H]2O)n1 | 10.1021/jm031143+ | ||
| CHEMBL368880 | 131347 | 0 | None | -478 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 512 | 9 | 5 | 15 | -0.6 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(N)nc(N[C@H](CO)Cc5ccc(OC)cc5)nc43)[C@H](O)[C@@H]2O)n1 | 10.1021/jm031143+ | ||
| 44423811 | 85342 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 533 | 9 | 5 | 11 | 1.3 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(Nc4ccc(OCC(=O)Nc5ccccc5)cc4)ncnc32)[C@H](O)[C@@H]1O | 10.1016/j.bmc.2007.01.055 | ||
| CHEMBL226193 | 85342 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 533 | 9 | 5 | 11 | 1.3 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(Nc4ccc(OCC(=O)Nc5ccccc5)cc4)ncnc32)[C@H](O)[C@@H]1O | 10.1016/j.bmc.2007.01.055 | ||
| 162645916 | 179472 | 0 | None | -9 | 4 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 414 | 6 | 4 | 11 | 0.8 | OC[C@H]1O[C@@H](n2cnc3c(Nc4ccc(CN=C=S)cc4)ncnc32)[C@H](O)[C@@H]1O | 10.1021/acs.jmedchem.6b01561 | ||
| CHEMBL4741079 | 179472 | 0 | None | -9 | 4 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 414 | 6 | 4 | 11 | 0.8 | OC[C@H]1O[C@@H](n2cnc3c(Nc4ccc(CN=C=S)cc4)ncnc32)[C@H](O)[C@@H]1O | 10.1021/acs.jmedchem.6b01561 | ||
| 118734347 | 118585 | 0 | None | -45 | 2 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 637 | 8 | 5 | 12 | 0.0 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(NCCN4CCN(c5ccc(I)cc5)CC4)nc32)[C@H](O)[C@@H]1O | 10.1021/acs.jmedchem.5b00215 | ||
| CHEMBL3416782 | 118585 | 0 | None | -45 | 2 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 637 | 8 | 5 | 12 | 0.0 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(NCCN4CCN(c5ccc(I)cc5)CC4)nc32)[C@H](O)[C@@H]1O | 10.1021/acs.jmedchem.5b00215 | ||
| 57384289 | 75452 | 0 | None | -112 | 4 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 630 | 13 | 6 | 13 | 2.5 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(NCCc4ccc(NC(=O)CCCC[C@H]5CCSS5)cc4)nc32)[C@H](O)[C@@H]1O | 10.1021/jm300206u | ||
| CHEMBL2042303 | 75452 | 0 | None | -112 | 4 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 630 | 13 | 6 | 13 | 2.5 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(NCCc4ccc(NC(=O)CCCC[C@H]5CCSS5)cc4)nc32)[C@H](O)[C@@H]1O | 10.1021/jm300206u | ||
| 137646828 | 157982 | 0 | None | -1 | 4 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 856 | 16 | 6 | 13 | 6.2 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCCCCCCNC(=O)c4ccc(-c5sc(N)c(C(=O)c6ccccc6)c5-c5cccc(C(F)(F)F)c5)cc4)ncnc32)[C@H](O)[C@@H]1O | 10.1021/acs.jmedchem.8b00047 | ||
| CHEMBL4085418 | 157982 | 0 | None | -1 | 4 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 856 | 16 | 6 | 13 | 6.2 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCCCCCCNC(=O)c4ccc(-c5sc(N)c(C(=O)c6ccccc6)c5-c5cccc(C(F)(F)F)c5)cc4)ncnc32)[C@H](O)[C@@H]1O | 10.1021/acs.jmedchem.8b00047 | ||
| 16203539 | 136324 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 444 | 6 | 5 | 10 | 0.3 | Nc1nc(OCCc2c[nH]c3ccc(F)cc23)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O | 10.1021/jm061278q | ||
| CHEMBL373478 | 136324 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 444 | 6 | 5 | 10 | 0.3 | Nc1nc(OCCc2c[nH]c3ccc(F)cc23)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O | 10.1021/jm061278q | ||
| 76329265 | 106033 | 0 | None | -50 | 4 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 377 | 4 | 5 | 10 | -0.9 | CNC(=O)[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)nc(N)nc32)[C@H](O)[C@@H]1O | 10.1039/C3MD00364G | ||
| CHEMBL3133158 | 106033 | 0 | None | -50 | 4 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 377 | 4 | 5 | 10 | -0.9 | CNC(=O)[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)nc(N)nc32)[C@H](O)[C@@H]1O | 10.1039/C3MD00364G | ||
| 168283120 | 191037 | 0 | None | -60255 | 4 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 498 | 8 | 4 | 11 | 1.0 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCC[C@H]4Oc4cccc(OC)c4)ncnc32)[C@H](O)[C@@H]1O | 10.1021/acs.jmedchem.2c01414 | ||
| CHEMBL5187330 | 191037 | 0 | None | -60255 | 4 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 498 | 8 | 4 | 11 | 1.0 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCC[C@H]4Oc4cccc(OC)c4)ncnc32)[C@H](O)[C@@H]1O | 10.1021/acs.jmedchem.2c01414 | ||
| 168287894 | 191327 | 0 | None | -776 | 4 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 502 | 7 | 4 | 10 | 1.6 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCC[C@H]4Oc4ccc(Cl)cc4)ncnc32)[C@H](O)[C@@H]1O | 10.1021/acs.jmedchem.2c01414 | ||
| CHEMBL5191989 | 191327 | 0 | None | -776 | 4 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 502 | 7 | 4 | 10 | 1.6 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCC[C@H]4Oc4ccc(Cl)cc4)ncnc32)[C@H](O)[C@@H]1O | 10.1021/acs.jmedchem.2c01414 | ||
| 71657835 | 159713 | 3 | None | -1 | 4 | Human | 4.1 | pEC50 | = | 4.1 | Functional | ChEMBL | 815 | 15 | 6 | 13 | 6.1 | Nc1sc(-c2ccc(C(=O)NCCCCCCNc3ncnc4c3ncn4[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)cc2)c(-c2cccc(C(F)(F)F)c2)c1C(=O)c1ccccc1 | 10.1021/acs.jmedchem.2c00320 | ||
| CHEMBL4104819 | 159713 | 3 | None | -1 | 4 | Human | 4.1 | pEC50 | = | 4.1 | Functional | ChEMBL | 815 | 15 | 6 | 13 | 6.1 | Nc1sc(-c2ccc(C(=O)NCCCCCCNc3ncnc4c3ncn4[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)cc2)c(-c2cccc(C(F)(F)F)c2)c1C(=O)c1ccccc1 | 10.1021/acs.jmedchem.2c00320 | ||
| 16103176 | 83194 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 417 | 6 | 5 | 11 | -1.1 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NNC(=O)c4ccco4)ncnc32)[C@H](O)[C@@H]1O | 10.1021/jm061170a | ||
| CHEMBL218596 | 83194 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 417 | 6 | 5 | 11 | -1.1 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NNC(=O)c4ccco4)ncnc32)[C@H](O)[C@@H]1O | 10.1021/jm061170a | ||
| 118732982 | 118497 | 0 | None | -91 | 4 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 583 | 6 | 3 | 12 | 1.7 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(NCc5ccccc5I)nc(Cl)nc43)[C@H](O)[C@@H]2O)n1 | 10.1021/acs.jmedchem.5b00074 | ||
| CHEMBL3414948 | 118497 | 0 | None | -91 | 4 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 583 | 6 | 3 | 12 | 1.7 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(NCc5ccccc5I)nc(Cl)nc43)[C@H](O)[C@@H]2O)n1 | 10.1021/acs.jmedchem.5b00074 | ||
| 145976032 | 163563 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 402 | 7 | 2 | 7 | 3.9 | N#Cc1c(N)nc(SCc2ccn[nH]2)c(C#N)c1-c1ccc(OCC2CC2)cc1 | 10.1016/j.ejmech.2018.02.081 | ||
| CHEMBL4203420 | 163563 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 402 | 7 | 2 | 7 | 3.9 | N#Cc1c(N)nc(SCc2ccn[nH]2)c(C#N)c1-c1ccc(OCC2CC2)cc1 | 10.1016/j.ejmech.2018.02.081 | ||
| 155535452 | 172066 | 0 | None | -14 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 286 | 4 | 2 | 7 | 1.8 | N#Cc1c(N)nc(SCCO)c(C#N)c1-c1ccoc1 | 10.1021/acs.jmedchem.9b00106 | ||
| CHEMBL4472401 | 172066 | 0 | None | -14 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 286 | 4 | 2 | 7 | 1.8 | N#Cc1c(N)nc(SCCO)c(C#N)c1-c1ccoc1 | 10.1021/acs.jmedchem.9b00106 | ||
| 118734374 | 118609 | 0 | None | -22 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 642 | 8 | 4 | 12 | 2.1 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(N4CCN(c5ccc(OCc6ccc(C(F)(F)F)cc6)cc5)CC4)nc32)[C@H](O)[C@@H]1O | 10.1021/acs.jmedchem.5b00215 | ||
| CHEMBL3416808 | 118609 | 0 | None | -22 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 642 | 8 | 4 | 12 | 2.1 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(N4CCN(c5ccc(OCc6ccc(C(F)(F)F)cc6)cc5)CC4)nc32)[C@H](O)[C@@H]1O | 10.1021/acs.jmedchem.5b00215 | ||
| 69961639 | 175708 | 0 | None | -8 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 302 | 4 | 2 | 7 | 2.2 | N#Cc1c(N)nc(SCCO)c(C#N)c1-c1cccs1 | 10.1021/acs.jmedchem.9b00106 | ||
| CHEMBL4582726 | 175708 | 0 | None | -8 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 302 | 4 | 2 | 7 | 2.2 | N#Cc1c(N)nc(SCCO)c(C#N)c1-c1cccs1 | 10.1021/acs.jmedchem.9b00106 | ||
| 46865897 | 7765 | 0 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 413 | 5 | 2 | 8 | 4.2 | O=C(Nc1ccccc1)Nc1nc(Oc2ccccc2)nc2nc(-c3ccco3)nn12 | 10.1016/j.bmc.2010.02.039 | ||
| CHEMBL1089440 | 7765 | 0 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 413 | 5 | 2 | 8 | 4.2 | O=C(Nc1ccccc1)Nc1nc(Oc2ccccc2)nc2nc(-c3ccco3)nn12 | 10.1016/j.bmc.2010.02.039 | ||
| 16202841 | 84647 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 442 | 6 | 6 | 11 | -0.2 | Nc1nc(OCCc2c[nH]c3ccc(O)cc23)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O | 10.1021/jm061278q | ||
| CHEMBL222500 | 84647 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 442 | 6 | 6 | 11 | -0.2 | Nc1nc(OCCc2c[nH]c3ccc(O)cc23)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O | 10.1021/jm061278q | ||
| 11164346 | 16104 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 362 | 5 | 2 | 7 | 3.1 | COc1ccc(-c2c(C#N)c(N)nc(SCc3ncc[nH]3)c2C#N)cc1 | 10.1021/jm049947s | ||
| CHEMBL122396 | 16104 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 362 | 5 | 2 | 7 | 3.1 | COc1ccc(-c2c(C#N)c(N)nc(SCc3ncc[nH]3)c2C#N)cc1 | 10.1021/jm049947s | ||
| 145973077 | 164653 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 402 | 7 | 2 | 7 | 3.9 | N#Cc1c(N)nc(SCc2ncc[nH]2)c(C#N)c1-c1ccc(OCC2CC2)cc1 | 10.1016/j.ejmech.2018.02.081 | ||
| CHEMBL4216880 | 164653 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 402 | 7 | 2 | 7 | 3.9 | N#Cc1c(N)nc(SCc2ncc[nH]2)c(C#N)c1-c1ccc(OCC2CC2)cc1 | 10.1016/j.ejmech.2018.02.081 | ||
| 137641858 | 158283 | 0 | None | 1 | 4 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 696 | 13 | 5 | 11 | 5.3 | O=C(NCCCCCCNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)c1ccc(-c2sccc2-c2cccc(C(F)(F)F)c2)cc1 | 10.1021/acs.jmedchem.8b00047 | ||
| CHEMBL4089092 | 158283 | 0 | None | 1 | 4 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 696 | 13 | 5 | 11 | 5.3 | O=C(NCCCCCCNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)c1ccc(-c2sccc2-c2cccc(C(F)(F)F)c2)cc1 | 10.1021/acs.jmedchem.8b00047 | ||
| 168269866 | 189964 | 0 | None | -3090 | 4 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 468 | 7 | 4 | 10 | 1.0 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCC[C@H]4Oc4ccccc4)ncnc32)[C@H](O)[C@@H]1O | 10.1021/acs.jmedchem.2c01414 | ||
| CHEMBL5171042 | 189964 | 0 | None | -3090 | 4 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 468 | 7 | 4 | 10 | 1.0 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCC[C@H]4Oc4ccccc4)ncnc32)[C@H](O)[C@@H]1O | 10.1021/acs.jmedchem.2c01414 | ||
| 118734372 | 118607 | 0 | None | -17 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 608 | 8 | 4 | 12 | 1.7 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(N4CCN(c5ccc(OCc6ccc(Cl)cc6)cc5)CC4)nc32)[C@H](O)[C@@H]1O | 10.1021/acs.jmedchem.5b00215 | ||
| CHEMBL3416806 | 118607 | 0 | None | -17 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 608 | 8 | 4 | 12 | 1.7 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(N4CCN(c5ccc(OCc6ccc(Cl)cc6)cc5)CC4)nc32)[C@H](O)[C@@H]1O | 10.1021/acs.jmedchem.5b00215 | ||
| 118734345 | 118583 | 0 | None | -301 | 2 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 545 | 8 | 5 | 12 | 0.1 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(NCCN4CCN(c5ccc(Cl)cc5)CC4)nc32)[C@H](O)[C@@H]1O | 10.1021/acs.jmedchem.5b00215 | ||
| CHEMBL3416780 | 118583 | 0 | None | -301 | 2 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 545 | 8 | 5 | 12 | 0.1 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(NCCN4CCN(c5ccc(Cl)cc5)CC4)nc32)[C@H](O)[C@@H]1O | 10.1021/acs.jmedchem.5b00215 | ||
| 118734346 | 118584 | 0 | None | -218 | 2 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 589 | 8 | 5 | 12 | 0.2 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(NCCN4CCN(c5ccc(Br)cc5)CC4)nc32)[C@H](O)[C@@H]1O | 10.1021/acs.jmedchem.5b00215 | ||
| CHEMBL3416781 | 118584 | 0 | None | -218 | 2 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 589 | 8 | 5 | 12 | 0.2 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(NCCN4CCN(c5ccc(Br)cc5)CC4)nc32)[C@H](O)[C@@H]1O | 10.1021/acs.jmedchem.5b00215 | ||
| 89534951 | 164407 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 393 | 7 | 2 | 7 | 2.7 | CNC(=O)CSc1nc(N)c(C#N)c(-c2ccc(OCC3CC3)cc2)c1C#N | 10.1016/j.ejmech.2018.02.081 | ||
| CHEMBL4213681 | 164407 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 393 | 7 | 2 | 7 | 2.7 | CNC(=O)CSc1nc(N)c(C#N)c(-c2ccc(OCC3CC3)cc2)c1C#N | 10.1016/j.ejmech.2018.02.081 | ||
| 377 | 2738 | 53 | None | -48 | 10 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/acsmedchemlett.0c00509 | ||
| 425 | 2738 | 53 | None | -48 | 10 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/acsmedchemlett.0c00509 | ||
| 448222 | 2738 | 53 | None | -48 | 10 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/acsmedchemlett.0c00509 | ||
| CHEMBL464859 | 2738 | 53 | None | -48 | 10 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/acsmedchemlett.0c00509 | ||
| 168272212 | 190407 | 0 | None | -2 | 4 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 518 | 10 | 5 | 10 | 1.9 | O=C(NCCCCc1ccc(Nc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1)c1ccccc1 | 10.1021/acs.jmedchem.2c00320 | ||
| CHEMBL5178142 | 190407 | 0 | None | -2 | 4 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 518 | 10 | 5 | 10 | 1.9 | O=C(NCCCCc1ccc(Nc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1)c1ccccc1 | 10.1021/acs.jmedchem.2c00320 | ||
| 71657835 | 159713 | 3 | None | -1 | 4 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 815 | 15 | 6 | 13 | 6.1 | Nc1sc(-c2ccc(C(=O)NCCCCCCNc3ncnc4c3ncn4[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)cc2)c(-c2cccc(C(F)(F)F)c2)c1C(=O)c1ccccc1 | 10.1021/acs.jmedchem.8b00047 | ||
| CHEMBL4104819 | 159713 | 3 | None | -1 | 4 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 815 | 15 | 6 | 13 | 6.1 | Nc1sc(-c2ccc(C(=O)NCCCCCCNc3ncnc4c3ncn4[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)cc2)c(-c2cccc(C(F)(F)F)c2)c1C(=O)c1ccccc1 | 10.1021/acs.jmedchem.8b00047 | ||
| 9869857 | 66800 | 11 | None | -213 | 5 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 482 | 8 | 5 | 14 | -0.6 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(N)nc(N[C@H](CO)Cc5ccccc5)nc43)[C@H](O)[C@@H]2O)n1 | 10.1021/jm031143+ | ||
| CHEMBL186113 | 66800 | 11 | None | -213 | 5 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 482 | 8 | 5 | 14 | -0.6 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(N)nc(N[C@H](CO)Cc5ccccc5)nc43)[C@H](O)[C@@H]2O)n1 | 10.1021/jm031143+ | ||
| 24827290 | 156331 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 707 | 11 | 5 | 12 | 3.0 | O=C(COc1ccc(Nc2nc(OCCc3c[nH]c4cc(Br)ccc34)nc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1)N1CCCC1 | 10.1021/jm701442d | ||
| CHEMBL406594 | 156331 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 707 | 11 | 5 | 12 | 3.0 | O=C(COc1ccc(Nc2nc(OCCc3c[nH]c4cc(Br)ccc34)nc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1)N1CCCC1 | 10.1021/jm701442d | ||
| 137634052 | 156621 | 0 | None | 6 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 830 | 15 | 7 | 14 | 5.7 | Nc1nc(NCCCCCCNC(=O)c2ccc(-c3sc(N)c(C(=O)c4ccccc4)c3-c3cccc(C(F)(F)F)c3)cc2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 | 10.1021/acs.jmedchem.8b00047 | ||
| CHEMBL4069296 | 156621 | 0 | None | 6 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 830 | 15 | 7 | 14 | 5.7 | Nc1nc(NCCCCCCNC(=O)c2ccc(-c3sc(N)c(C(=O)c4ccccc4)c3-c3cccc(C(F)(F)F)c3)cc2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 | 10.1021/acs.jmedchem.8b00047 | ||
| 168276883 | 190176 | 0 | None | -1862 | 4 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 502 | 7 | 4 | 10 | 1.6 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCC[C@H]4Oc4cccc(Cl)c4)ncnc32)[C@H](O)[C@@H]1O | 10.1021/acs.jmedchem.2c01414 | ||
| CHEMBL5174429 | 190176 | 0 | None | -1862 | 4 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 502 | 7 | 4 | 10 | 1.6 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCC[C@H]4Oc4cccc(Cl)c4)ncnc32)[C@H](O)[C@@H]1O | 10.1021/acs.jmedchem.2c01414 | ||
| 155541051 | 172942 | 0 | None | -251 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 406 | 5 | 1 | 8 | 4.2 | COC(=O)c1cccc(CSc2nc(N)c(C#N)c(-c3cccs3)c2C#N)c1 | 10.1021/acs.jmedchem.9b00106 | ||
| CHEMBL4517597 | 172942 | 0 | None | -251 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 406 | 5 | 1 | 8 | 4.2 | COC(=O)c1cccc(CSc2nc(N)c(C#N)c(-c3cccs3)c2C#N)c1 | 10.1021/acs.jmedchem.9b00106 | ||
| 16203669 | 84976 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 467 | 7 | 5 | 10 | 0.3 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(OCCc4c[nH]c5ccccc45)nc32)[C@H](O)[C@@H]1O | 10.1021/jm061278q | ||
| CHEMBL223845 | 84976 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 467 | 7 | 5 | 10 | 0.3 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(OCCc4c[nH]c5ccccc45)nc32)[C@H](O)[C@@H]1O | 10.1021/jm061278q | ||
| 156018418 | 177769 | 0 | None | - | 1 | Human | 9.5 | pIC50 | = | 9.5 | Functional | ChEMBL | 500 | 7 | 3 | 11 | 1.8 | Nc1nc(NCCN2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)nc2sc(-c3ccco3)nc12 | 10.1016/j.bmcl.2020.127067 | ||
| CHEMBL4643397 | 177769 | 0 | None | - | 1 | Human | 9.5 | pIC50 | = | 9.5 | Functional | ChEMBL | 500 | 7 | 3 | 11 | 1.8 | Nc1nc(NCCN2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)nc2sc(-c3ccco3)nc12 | 10.1016/j.bmcl.2020.127067 | ||
| 3284 | 3194 | 35 | None | - | 1 | Human | 9.0 | pIC50 | = | 9.0 | Functional | ChEMBL | 528 | 6 | 2 | 7 | 2.7 | CCCn1c(=O)[nH]c2c(c1=O)[nH]c(n2)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)Cl | 10.1021/jm900413e | ||
| 44185871 | 3194 | 35 | None | - | 1 | Human | 9.0 | pIC50 | = | 9.0 | Functional | ChEMBL | 528 | 6 | 2 | 7 | 2.7 | CCCn1c(=O)[nH]c2c(c1=O)[nH]c(n2)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)Cl | 10.1021/jm900413e | ||
| 5728 | 3194 | 35 | None | - | 1 | Human | 9.0 | pIC50 | = | 9.0 | Functional | ChEMBL | 528 | 6 | 2 | 7 | 2.7 | CCCn1c(=O)[nH]c2c(c1=O)[nH]c(n2)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)Cl | 10.1021/jm900413e | ||
| CHEMBL483688 | 3194 | 35 | None | - | 1 | Human | 9.0 | pIC50 | = | 9.0 | Functional | ChEMBL | 528 | 6 | 2 | 7 | 2.7 | CCCn1c(=O)[nH]c2c(c1=O)[nH]c(n2)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)Cl | 10.1021/jm900413e | ||
| 12066874 | 204230 | 0 | None | - | 1 | Human | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 262 | 1 | 1 | 5 | 2.7 | Oc1c(-c2ccccc2)nnc2nc3ccccc3n12 | 10.1021/jm201177b | ||
| CHEMBL7113 | 204230 | 0 | None | - | 1 | Human | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 262 | 1 | 1 | 5 | 2.7 | Oc1c(-c2ccccc2)nnc2nc3ccccc3n12 | 10.1021/jm201177b | ||
| 25207803 | 5653 | 0 | None | 10 | 4 | Human | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 381 | 6 | 2 | 8 | 4.0 | CNc1cc2nc(NCc3cccnc3)nc(C(=O)c3cccs3)c2s1 | nan | ||
| CHEMBL1077943 | 5653 | 0 | None | 10 | 4 | Human | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 381 | 6 | 2 | 8 | 4.0 | CNc1cc2nc(NCc3cccnc3)nc(C(=O)c3cccs3)c2s1 | nan | ||
| 156821415 | 185449 | 0 | None | 5 | 2 | Human | 8.8 | pIC50 | = | 8.8 | Functional | ChEMBL | 398 | 4 | 1 | 8 | 3.0 | Nc1nc(-c2ccccc2)c(-c2ccnnc2)c2nc(Cc3ncccc3F)nn12 | 10.1021/acsmedchemlett.1c00620 | ||
| CHEMBL4862010 | 185449 | 0 | None | 5 | 2 | Human | 8.8 | pIC50 | = | 8.8 | Functional | ChEMBL | 398 | 4 | 1 | 8 | 3.0 | Nc1nc(-c2ccccc2)c(-c2ccnnc2)c2nc(Cc3ncccc3F)nn12 | 10.1021/acsmedchemlett.1c00620 | ||
| 44186667 | 185635 | 0 | None | - | 1 | Human | 8.8 | pIC50 | = | 8.8 | Functional | ChEMBL | 576 | 7 | 2 | 7 | 3.0 | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc(C(F)(F)F)cc5)CC4)cc3)[nH]c2c1=O | 10.1021/jm900413e | ||
| CHEMBL486479 | 185635 | 0 | None | - | 1 | Human | 8.8 | pIC50 | = | 8.8 | Functional | ChEMBL | 576 | 7 | 2 | 7 | 3.0 | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc(C(F)(F)F)cc5)CC4)cc3)[nH]c2c1=O | 10.1021/jm900413e | ||
| 44186622 | 184205 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 542 | 7 | 2 | 7 | 2.7 | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5cccc(Cl)c5)CC4)cc3)[nH]c2c1=O | 10.1021/jm900413e | ||
| CHEMBL483469 | 184205 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 542 | 7 | 2 | 7 | 2.7 | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5cccc(Cl)c5)CC4)cc3)[nH]c2c1=O | 10.1021/jm900413e | ||
| 10641040 | 9733 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8 | Functional | ChEMBL | 342 | 3 | 0 | 6 | 3.4 | O=c1c(-c2ccco2)nnc2n(Cc3ccccc3)c3ccccc3n12 | 10.1021/jm201177b | ||
| CHEMBL113518 | 9733 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8 | Functional | ChEMBL | 342 | 3 | 0 | 6 | 3.4 | O=c1c(-c2ccco2)nnc2n(Cc3ccccc3)c3ccccc3n12 | 10.1021/jm201177b | ||
| 11605883 | 79923 | 6 | None | - | 1 | Human | 8.0 | pIC50 | = | 8 | Functional | ChEMBL | 508 | 7 | 2 | 7 | 2.0 | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccccc5)CC4)cc3)[nH]c2c1=O | 10.1021/jm900413e | ||
| CHEMBL212625 | 79923 | 6 | None | - | 1 | Human | 8.0 | pIC50 | = | 8 | Functional | ChEMBL | 508 | 7 | 2 | 7 | 2.0 | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccccc5)CC4)cc3)[nH]c2c1=O | 10.1021/jm900413e | ||
| 44185933 | 186685 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 522 | 8 | 2 | 7 | 2.0 | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(CCc5ccccc5)CC4)cc3)[nH]c2c1=O | 10.1021/jm900413e | ||
| CHEMBL488541 | 186685 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 522 | 8 | 2 | 7 | 2.0 | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(CCc5ccccc5)CC4)cc3)[nH]c2c1=O | 10.1021/jm900413e | ||
| 135493268 | 110459 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 449 | 8 | 2 | 8 | 2.3 | CCCn1c(=O)c2nc(-c3cc(NC(=O)Cc4ccccc4)nn3C)[nH]c2n(CCC)c1=O | 10.1021/jm0309654 | ||
| CHEMBL32481 | 110459 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 449 | 8 | 2 | 8 | 2.3 | CCCn1c(=O)c2nc(-c3cc(NC(=O)Cc4ccccc4)nn3C)[nH]c2n(CCC)c1=O | 10.1021/jm0309654 | ||
| 134142435 | 145313 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 341 | 4 | 2 | 7 | 3.7 | Nc1nc(NCc2cccc(F)c2)nc2sc(-c3ccco3)nc12 | 10.1021/acs.jmedchem.6b01068 | ||
| CHEMBL3913413 | 145313 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 341 | 4 | 2 | 7 | 3.7 | Nc1nc(NCc2cccc(F)c2)nc2sc(-c3ccco3)nc12 | 10.1021/acs.jmedchem.6b01068 | ||
| 45481749 | 198511 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 437 | 5 | 1 | 8 | 4.1 | CCn1cc2c(nc(NC(=O)Cc3ccc4ccccc4c3)n3nc(-c4ccco4)nc23)n1 | 10.1016/j.bmc.2009.05.038 | ||
| CHEMBL578008 | 198511 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 437 | 5 | 1 | 8 | 4.1 | CCn1cc2c(nc(NC(=O)Cc3ccc4ccccc4c3)n3nc(-c4ccco4)nc23)n1 | 10.1016/j.bmc.2009.05.038 | ||
| 60156108 | 76957 | 0 | None | -69 | 2 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 532 | 5 | 3 | 9 | 2.9 | Cn1cc2c(nc(NC(=O)NC3CCN(C(=O)NCc4ccc(F)cc4)CC3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm300323t | ||
| CHEMBL2071046 | 76957 | 0 | None | -69 | 2 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 532 | 5 | 3 | 9 | 2.9 | Cn1cc2c(nc(NC(=O)NC3CCN(C(=O)NCc4ccc(F)cc4)CC3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm300323t | ||
| 135874429 | 95726 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 483 | 8 | 2 | 8 | 3.2 | CCCn1c(=O)c2[nH]c(-c3cc(C)n(CC(=O)Nc4cccc(Cl)c4)n3)nc2n(CCC)c1=O | 10.1016/j.bmc.2007.11.058 | ||
| CHEMBL258473 | 95726 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 483 | 8 | 2 | 8 | 3.2 | CCCn1c(=O)c2[nH]c(-c3cc(C)n(CC(=O)Nc4cccc(Cl)c4)n3)nc2n(CCC)c1=O | 10.1016/j.bmc.2007.11.058 | ||
| 57429602 | 157215 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 500 | 7 | 1 | 8 | 3.5 | CCCn1c(=O)c2[nH]c(-c3cnn(CC#Cc4cccc(OC(F)(F)F)c4)c3)nc2n(CCC)c1=O | 10.1016/j.ejmech.2021.113907 | ||
| CHEMBL4076435 | 157215 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 500 | 7 | 1 | 8 | 3.5 | CCCn1c(=O)c2[nH]c(-c3cnn(CC#Cc4cccc(OC(F)(F)F)c4)c3)nc2n(CCC)c1=O | 10.1016/j.ejmech.2021.113907 | ||
| 51039214 | 71494 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 342 | 5 | 3 | 9 | 1.5 | NCC1CCC(CNc2nc(N)n3nc(-c4ccco4)nc3n2)CC1 | 10.1021/jm101349u | ||
| CHEMBL1927444 | 71494 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 342 | 5 | 3 | 9 | 1.5 | NCC1CCC(CNc2nc(N)n3nc(-c4ccco4)nc3n2)CC1 | 10.1021/jm101349u | ||
| CHEMBL1962813 | 71494 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 342 | 5 | 3 | 9 | 1.5 | NCC1CCC(CNc2nc(N)n3nc(-c4ccco4)nc3n2)CC1 | 10.1021/jm101349u | ||
| 135522388 | 100084 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 543 | 9 | 2 | 9 | 2.9 | CCCn1c(=O)c2nc(-c3cc(OCC(=O)Nc4ccc(Br)cc4)nn3C)[nH]c2n(CCC)c1=O | 10.1021/jm0309654 | ||
| CHEMBL287529 | 100084 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 543 | 9 | 2 | 9 | 2.9 | CCCn1c(=O)c2nc(-c3cc(OCC(=O)Nc4ccc(Br)cc4)nn3C)[nH]c2n(CCC)c1=O | 10.1021/jm0309654 | ||
| 46883206 | 6285 | 0 | None | 10 | 2 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 347 | 5 | 1 | 7 | 3.3 | O=C(c1cccnc1)c1nc(NCc2cccnc2)nc2ccsc12 | 10.1016/j.bmcl.2009.08.040 | ||
| CHEMBL1081873 | 6285 | 0 | None | 10 | 2 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 347 | 5 | 1 | 7 | 3.3 | O=C(c1cccnc1)c1nc(NCc2cccnc2)nc2ccsc12 | 10.1016/j.bmcl.2009.08.040 | ||
| 145436767 | 162454 | 0 | None | -4365 | 2 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 324 | 4 | 2 | 8 | 2.9 | Nc1nc(NCc2cccnc2)nc2sc(-c3ccco3)nc12 | 10.1016/j.ejmech.2018.06.020 | ||
| CHEMBL4167125 | 162454 | 0 | None | -4365 | 2 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 324 | 4 | 2 | 8 | 2.9 | Nc1nc(NCc2cccnc2)nc2sc(-c3ccco3)nc12 | 10.1016/j.ejmech.2018.06.020 | ||
| 136042340 | 71137 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 527 | 8 | 2 | 9 | 3.6 | CCCn1c(=O)c2[nH]c(-c3cc(OCc4nc5cc(Br)ccc5[nH]4)no3)nc2n(CCC)c1=O | 10.1021/jm201292w | ||
| CHEMBL1955916 | 71137 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 527 | 8 | 2 | 9 | 3.6 | CCCn1c(=O)c2[nH]c(-c3cc(OCc4nc5cc(Br)ccc5[nH]4)no3)nc2n(CCC)c1=O | 10.1021/jm201292w | ||
| 10007115 | 116318 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 527 | 8 | 1 | 8 | 5.7 | O=C(Cc1cccc2ccccc12)Nc1nc2nn(CCCc3ccccc3)cc2c2nc(-c3ccco3)nn12 | 10.1021/jm030852k | ||
| CHEMBL335950 | 116318 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 527 | 8 | 1 | 8 | 5.7 | O=C(Cc1cccc2ccccc12)Nc1nc2nn(CCCc3ccccc3)cc2c2nc(-c3ccco3)nn12 | 10.1021/jm030852k | ||
| 52947525 | 17627 | 0 | None | -389 | 3 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 451 | 6 | 2 | 7 | 5.2 | COc1ccc(Nc2c(-c3ccc4nccnc4c3)c(C)nn2-c2ccccc2)c(C(=O)O)c1 | 10.1016/j.bmcl.2010.07.095 | ||
| CHEMBL1258397 | 17627 | 0 | None | -389 | 3 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 451 | 6 | 2 | 7 | 5.2 | COc1ccc(Nc2c(-c3ccc4nccnc4c3)c(C)nn2-c2ccccc2)c(C(=O)O)c1 | 10.1016/j.bmcl.2010.07.095 | ||
| 1922 | 202795 | 44 | None | -363 | 9 | Rat | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 256 | 1 | 1 | 5 | 0.6 | Cn1c(=O)c2nc(-c3ccccc3)[nH]c2n(C)c1=O | 10.1021/jm990499b | ||
| CHEMBL62350 | 202795 | 44 | None | -363 | 9 | Rat | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 256 | 1 | 1 | 5 | 0.6 | Cn1c(=O)c2nc(-c3ccccc3)[nH]c2n(C)c1=O | 10.1021/jm990499b | ||
| 145960667 | 161458 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 285 | 4 | 2 | 6 | 2.6 | Cc1nc2c(N)nc(NCCc3ccccc3)nc2s1 | 10.1016/j.bmc.2018.05.048 | ||
| CHEMBL4127811 | 161458 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 285 | 4 | 2 | 6 | 2.6 | Cc1nc2c(N)nc(NCCc3ccccc3)nc2s1 | 10.1016/j.bmc.2018.05.048 | ||
| 60156105 | 76955 | 0 | None | -38 | 2 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 514 | 5 | 3 | 9 | 2.8 | Cn1cc2c(nc(NC(=O)NC3CCN(C(=O)NCc4ccccc4)CC3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm300323t | ||
| CHEMBL2071044 | 76955 | 0 | None | -38 | 2 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 514 | 5 | 3 | 9 | 2.8 | Cn1cc2c(nc(NC(=O)NC3CCN(C(=O)NCc4ccccc4)CC3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm300323t | ||
| 45481761 | 197982 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 539 | 8 | 1 | 8 | 5.8 | O=C(Cc1ccc(-c2ccccc2)cc1)Nc1nc2nn(CCc3ccccc3)cc2c2nc(-c3ccco3)nn12 | 10.1016/j.bmc.2009.05.038 | ||
| CHEMBL573771 | 197982 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 539 | 8 | 1 | 8 | 5.8 | O=C(Cc1ccc(-c2ccccc2)cc1)Nc1nc2nn(CCc3ccccc3)cc2c2nc(-c3ccco3)nn12 | 10.1016/j.bmc.2009.05.038 | ||
| 51051249 | 69258 | 1 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 217 | 1 | 2 | 8 | -0.1 | Nc1nc(N)n2nc(-c3ccco3)nc2n1 | 10.1021/jm101349u | ||
| CHEMBL1927632 | 69258 | 1 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 217 | 1 | 2 | 8 | -0.1 | Nc1nc(N)n2nc(-c3ccco3)nc2n1 | 10.1021/jm101349u | ||
| 127046494 | 139720 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 307 | 3 | 2 | 7 | 2.4 | Nc1nc(-c2ccco2)nc2cn(Cc3ccccc3O)nc12 | 10.1016/j.bmc.2016.04.048 | ||
| CHEMBL3798383 | 139720 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 307 | 3 | 2 | 7 | 2.4 | Nc1nc(-c2ccco2)nc2cn(Cc3ccccc3O)nc12 | 10.1016/j.bmc.2016.04.048 | ||
| 145436765 | 162771 | 0 | None | -2511 | 2 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 343 | 5 | 2 | 8 | 3.6 | Nc1nc(NCCc2cccs2)nc2sc(-c3ccco3)nc12 | 10.1016/j.ejmech.2018.06.020 | ||
| CHEMBL4172264 | 162771 | 0 | None | -2511 | 2 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 343 | 5 | 2 | 8 | 3.6 | Nc1nc(NCCc2cccs2)nc2sc(-c3ccco3)nc12 | 10.1016/j.ejmech.2018.06.020 | ||
| 136042342 | 71139 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 479 | 9 | 2 | 10 | 2.8 | CCCn1c(=O)c2[nH]c(-c3cc(OCc4nc5cc(OC)ccc5[nH]4)no3)nc2n(CCC)c1=O | 10.1021/jm201292w | ||
| CHEMBL1955918 | 71139 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 479 | 9 | 2 | 10 | 2.8 | CCCn1c(=O)c2[nH]c(-c3cc(OCc4nc5cc(OC)ccc5[nH]4)no3)nc2n(CCC)c1=O | 10.1021/jm201292w | ||
| 135874414 | 96226 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 575 | 8 | 2 | 8 | 3.1 | CCCn1c(=O)c2[nH]c(-c3cc(C)n(CC(=O)Nc4ccc(I)cc4)n3)nc2n(CCC)c1=O | 10.1016/j.bmc.2007.11.058 | ||
| CHEMBL261027 | 96226 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 575 | 8 | 2 | 8 | 3.1 | CCCn1c(=O)c2[nH]c(-c3cc(C)n(CC(=O)Nc4ccc(I)cc4)n3)nc2n(CCC)c1=O | 10.1016/j.bmc.2007.11.058 | ||
| 135443359 | 489 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 509 | 9 | 3 | 11 | -0.1 | CCCn1c2=N/C(=c\3/cc([nH]n3C)OCC(=O)Nc3ccc(cc3)C(=O)O)/N=c2c(=O)n(c1=O)CCC | 10.1021/jm0309654 | ||
| 441 | 489 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 509 | 9 | 3 | 11 | -0.1 | CCCn1c2=N/C(=c\3/cc([nH]n3C)OCC(=O)Nc3ccc(cc3)C(=O)O)/N=c2c(=O)n(c1=O)CCC | 10.1021/jm0309654 | ||
| CHEMBL431703 | 489 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 509 | 9 | 3 | 11 | -0.1 | CCCn1c2=N/C(=c\3/cc([nH]n3C)OCC(=O)Nc3ccc(cc3)C(=O)O)/N=c2c(=O)n(c1=O)CCC | 10.1021/jm0309654 | ||
| 127036844 | 137533 | 0 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 397 | 7 | 2 | 8 | 4.0 | c1ccc(CNc2nc(NCc3ccccc3)n3nc(-c4ccco4)nc3n2)cc1 | 10.1016/j.ejmech.2015.12.019 | ||
| CHEMBL3754573 | 137533 | 0 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 397 | 7 | 2 | 8 | 4.0 | c1ccc(CNc2nc(NCc3ccccc3)n3nc(-c4ccco4)nc3n2)cc1 | 10.1016/j.ejmech.2015.12.019 | ||
| 49797906 | 10712 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 467 | 7 | 1 | 7 | 4.3 | CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3cnn(Cc4cccc(F)c4)c3)sc12 | 10.1016/j.bmcl.2010.05.056 | ||
| CHEMBL1171165 | 10712 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 467 | 7 | 1 | 7 | 4.3 | CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3cnn(Cc4cccc(F)c4)c3)sc12 | 10.1016/j.bmcl.2010.05.056 | ||
| 9930130 | 10769 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 387 | 5 | 1 | 5 | 4.1 | CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(F)cc3)sc12 | 10.1016/j.bmcl.2010.05.056 | ||
| CHEMBL1171897 | 10769 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 387 | 5 | 1 | 5 | 4.1 | CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(F)cc3)sc12 | 10.1016/j.bmcl.2010.05.056 | ||
| 25231167 | 6185 | 0 | None | 20 | 2 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 313 | 5 | 2 | 6 | 2.4 | CCNC(=O)c1nc(NCc2cccnc2)nc2ccsc12 | 10.1016/j.bmcl.2009.08.040 | ||
| CHEMBL1081335 | 6185 | 0 | None | 20 | 2 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 313 | 5 | 2 | 6 | 2.4 | CCNC(=O)c1nc(NCc2cccnc2)nc2ccsc12 | 10.1016/j.bmcl.2009.08.040 | ||
| 16071896 | 57995 | 44 | None | 4 | 2 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 335 | 4 | 1 | 5 | 3.1 | O=C(Nc1cnc(-c2ccncc2F)c(-c2cccnc2)n1)C1CC1 | 10.1021/ml100249e | ||
| CHEMBL1672627 | 57995 | 44 | None | 4 | 2 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 335 | 4 | 1 | 5 | 3.1 | O=C(Nc1cnc(-c2ccncc2F)c(-c2cccnc2)n1)C1CC1 | 10.1021/ml100249e | ||
| 71508481 | 86247 | 6 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 250 | 1 | 1 | 5 | 2.7 | Nc1nc2ccccc2c2cc(-c3ccco3)nn12 | 10.1016/j.bmc.2012.10.031 | ||
| CHEMBL2312725 | 86247 | 6 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 250 | 1 | 1 | 5 | 2.7 | Nc1nc2ccccc2c2cc(-c3ccco3)nn12 | 10.1016/j.bmc.2012.10.031 | ||
| 135529386 | 488 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 537 | 10 | 2 | 12 | 0.4 | CCOC(=O)c1ccc(cc1)NC(=O)COc1c/c(=C\2/N=c3c(=N2)c(=O)n(c(=O)n3CCC)CCC)/n([nH]1)C | 10.1021/jm0309654 | ||
| 440 | 488 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 537 | 10 | 2 | 12 | 0.4 | CCOC(=O)c1ccc(cc1)NC(=O)COc1c/c(=C\2/N=c3c(=N2)c(=O)n(c(=O)n3CCC)CCC)/n([nH]1)C | 10.1021/jm0309654 | ||
| CHEMBL284615 | 488 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 537 | 10 | 2 | 12 | 0.4 | CCOC(=O)c1ccc(cc1)NC(=O)COc1c/c(=C\2/N=c3c(=N2)c(=O)n(c(=O)n3CCC)CCC)/n([nH]1)C | 10.1021/jm0309654 | ||
| 135546657 | 157674 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 509 | 10 | 2 | 10 | 2.3 | CCCn1c(=O)c2[nH]c(-c3cc(NC(=O)Cc4ccc(OC)c(OC)c4)nn3C)nc2n(CCC)c1=O | 10.1021/jm0309654 | ||
| CHEMBL408186 | 157674 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 509 | 10 | 2 | 10 | 2.3 | CCCn1c(=O)c2[nH]c(-c3cc(NC(=O)Cc4ccc(OC)c(OC)c4)nn3C)nc2n(CCC)c1=O | 10.1021/jm0309654 | ||
| 145954471 | 162358 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 367 | 5 | 2 | 8 | 3.9 | COc1cccc(CNc2nc(N)c3nc(-c4ccc(C)o4)sc3n2)c1 | 10.1016/j.ejmech.2018.06.020 | ||
| CHEMBL4165484 | 162358 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 367 | 5 | 2 | 8 | 3.9 | COc1cccc(CNc2nc(N)c3nc(-c4ccc(C)o4)sc3n2)c1 | 10.1016/j.ejmech.2018.06.020 | ||
| 11793210 | 185848 | 0 | None | -7 | 2 | Rat | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 365 | 1 | 2 | 6 | 2.8 | Cn1c(-c2ccc(F)cc2)nc2c(N)nc(C#CC3(O)CCCCC3)nc21 | 10.1021/jm990499b | ||
| CHEMBL48681 | 185848 | 0 | None | -7 | 2 | Rat | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 365 | 1 | 2 | 6 | 2.8 | Cn1c(-c2ccc(F)cc2)nc2c(N)nc(C#CC3(O)CCCCC3)nc21 | 10.1021/jm990499b | ||
| 57395163 | 69760 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 404 | 4 | 2 | 9 | 2.9 | COc1ccc(NC(=O)Nc2nc3cnn(C)c3c3nc(-c4ccco4)nn23)cc1 | 10.1016/j.bmc.2011.11.037 | ||
| CHEMBL1935756 | 69760 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 404 | 4 | 2 | 9 | 2.9 | COc1ccc(NC(=O)Nc2nc3cnn(C)c3c3nc(-c4ccco4)nn23)cc1 | 10.1016/j.bmc.2011.11.037 | ||
| 45482090 | 197933 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 463 | 7 | 1 | 8 | 4.6 | CC(C)CCn1cc2c(nc(NC(=O)Cc3ccc(Cl)cc3)n3nc(-c4ccco4)nc23)n1 | 10.1016/j.bmc.2009.05.038 | ||
| CHEMBL573327 | 197933 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 463 | 7 | 1 | 8 | 4.6 | CC(C)CCn1cc2c(nc(NC(=O)Cc3ccc(Cl)cc3)n3nc(-c4ccco4)nc23)n1 | 10.1016/j.bmc.2009.05.038 | ||
| 118708225 | 113331 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 319 | 3 | 1 | 5 | 3.1 | Nc1nc(Cc2ccccc2F)nc2cn(-c3ccccc3)nc12 | 10.1016/j.ejmech.2014.07.060 | ||
| CHEMBL3317565 | 113331 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 319 | 3 | 1 | 5 | 3.1 | Nc1nc(Cc2ccccc2F)nc2cn(-c3ccccc3)nc12 | 10.1016/j.ejmech.2014.07.060 | ||
| 45482075 | 198280 | 0 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 451 | 6 | 1 | 8 | 4.5 | CCCn1cc2c(nc(NC(=O)Cc3cccc4ccccc34)n3nc(-c4ccco4)nc23)n1 | 10.1016/j.bmc.2009.05.038 | ||
| CHEMBL576018 | 198280 | 0 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 451 | 6 | 1 | 8 | 4.5 | CCCn1cc2c(nc(NC(=O)Cc3cccc4ccccc34)n3nc(-c4ccco4)nc23)n1 | 10.1016/j.bmc.2009.05.038 | ||
| 46882998 | 5609 | 0 | None | -10 | 2 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 303 | 4 | 1 | 6 | 3.7 | CCNc1nc(C(=O)c2ccc(C)s2)c2sccc2n1 | 10.1016/j.bmcl.2009.08.040 | ||
| CHEMBL1077752 | 5609 | 0 | None | -10 | 2 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 303 | 4 | 1 | 6 | 3.7 | CCNc1nc(C(=O)c2ccc(C)s2)c2sccc2n1 | 10.1016/j.bmcl.2009.08.040 | ||
| 164627235 | 186389 | 0 | None | -22 | 2 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 433 | 4 | 2 | 7 | 3.2 | Cc1cc(-c2c(-c3ccc(F)cc3)nc(N)n3nc(CN4CCCCC4)nc23)c[nH]c1=O | 10.1021/acsmedchemlett.1c00620 | ||
| CHEMBL4876056 | 186389 | 0 | None | -22 | 2 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 433 | 4 | 2 | 7 | 3.2 | Cc1cc(-c2c(-c3ccc(F)cc3)nc(N)n3nc(CN4CCCCC4)nc23)c[nH]c1=O | 10.1021/acsmedchemlett.1c00620 | ||
| 135493281 | 109599 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 483 | 8 | 2 | 8 | 2.9 | CCCn1c(=O)c2nc(-c3cc(NC(=O)Cc4ccc(Cl)cc4)nn3C)[nH]c2n(CCC)c1=O | 10.1021/jm0309654 | ||
| CHEMBL32225 | 109599 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 483 | 8 | 2 | 8 | 2.9 | CCCn1c(=O)c2nc(-c3cc(NC(=O)Cc4ccc(Cl)cc4)nn3C)[nH]c2n(CCC)c1=O | 10.1021/jm0309654 | ||
| 46883205 | 5818 | 0 | None | -2 | 2 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 376 | 6 | 1 | 7 | 3.9 | COc1ccc(C(=O)c2nc(NCc3cccnc3)nc3ccsc23)cc1 | 10.1016/j.bmcl.2009.08.040 | ||
| CHEMBL1079232 | 5818 | 0 | None | -2 | 2 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 376 | 6 | 1 | 7 | 3.9 | COc1ccc(C(=O)c2nc(NCc3cccnc3)nc3ccsc23)cc1 | 10.1016/j.bmcl.2009.08.040 | ||
| 155554091 | 175667 | 0 | None | -4 | 3 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 375 | 5 | 2 | 7 | 3.1 | N#Cc1c(N)nc(SCc2cccc(C(N)=O)c2)c(C#N)c1-c1ccco1 | 10.1021/acs.jmedchem.9b00106 | ||
| CHEMBL4581984 | 175667 | 0 | None | -4 | 3 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 375 | 5 | 2 | 7 | 3.1 | N#Cc1c(N)nc(SCc2cccc(C(N)=O)c2)c(C#N)c1-c1ccco1 | 10.1021/acs.jmedchem.9b00106 | ||
| 49798140 | 10838 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 484 | 9 | 1 | 7 | 3.6 | CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(C(=O)N(C)CCOC)cc3)sc12 | 10.1016/j.bmcl.2010.05.056 | ||
| CHEMBL1172442 | 10838 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 484 | 9 | 1 | 7 | 3.6 | CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(C(=O)N(C)CCOC)cc3)sc12 | 10.1016/j.bmcl.2010.05.056 | ||
| 25231166 | 6321 | 0 | None | 181 | 2 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 353 | 4 | 1 | 6 | 3.5 | CC(Nc1nc(C(=O)N2CCCC2)c2sccc2n1)c1cccnc1 | 10.1016/j.bmcl.2009.08.040 | ||
| CHEMBL1082064 | 6321 | 0 | None | 181 | 2 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 353 | 4 | 1 | 6 | 3.5 | CC(Nc1nc(C(=O)N2CCCC2)c2sccc2n1)c1cccnc1 | 10.1016/j.bmcl.2009.08.040 | ||
| 54581142 | 60702 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 598 | 8 | 2 | 7 | 5.2 | CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)[C@H]3CC[C@H](NS(=O)(=O)c4cccc(C(F)(F)F)c4)CC3)sc12 | 10.1016/j.bmcl.2011.02.053 | ||
| CHEMBL1760896 | 60702 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 598 | 8 | 2 | 7 | 5.2 | CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)[C@H]3CC[C@H](NS(=O)(=O)c4cccc(C(F)(F)F)c4)CC3)sc12 | 10.1016/j.bmcl.2011.02.053 | ||
| 145436761 | 162813 | 0 | None | -1 | 2 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 325 | 4 | 2 | 9 | 2.3 | Nc1nc(NCc2cnccn2)nc2sc(-c3ccco3)nc12 | 10.1016/j.ejmech.2018.06.020 | ||
| CHEMBL4172818 | 162813 | 0 | None | -1 | 2 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 325 | 4 | 2 | 9 | 2.3 | Nc1nc(NCc2cnccn2)nc2sc(-c3ccco3)nc12 | 10.1016/j.ejmech.2018.06.020 | ||
| 11826924 | 118719 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 479 | 8 | 1 | 9 | 4.0 | O=C(COc1ccccc1)Nc1nc2nn(CCc3ccccc3)cc2c2nc(-c3ccco3)nn12 | 10.1021/jm030852k | ||
| CHEMBL341777 | 118719 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 479 | 8 | 1 | 9 | 4.0 | O=C(COc1ccccc1)Nc1nc2nn(CCc3ccccc3)cc2c2nc(-c3ccco3)nn12 | 10.1021/jm030852k | ||
| 10665407 | 190724 | 0 | None | - | 1 | Rat | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 348 | 1 | 2 | 7 | 2.1 | Cn1c(-c2ccccn2)nc2c(N)nc(C#CC3(O)CCCCC3)nc21 | 10.1021/jm990499b | ||
| CHEMBL51829 | 190724 | 0 | None | - | 1 | Rat | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 348 | 1 | 2 | 7 | 2.1 | Cn1c(-c2ccccn2)nc2c(N)nc(C#CC3(O)CCCCC3)nc21 | 10.1021/jm990499b | ||
| 45482076 | 198079 | 0 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 391 | 4 | 1 | 8 | 2.6 | Cn1cc2c(nc(NC(=O)Cc3ccc(F)cc3)n3nc(-c4ccco4)nc23)n1 | 10.1016/j.bmc.2009.05.038 | ||
| CHEMBL574483 | 198079 | 0 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 391 | 4 | 1 | 8 | 2.6 | Cn1cc2c(nc(NC(=O)Cc3ccc(F)cc3)n3nc(-c4ccco4)nc23)n1 | 10.1016/j.bmc.2009.05.038 | ||
| 46238067 | 8474 | 0 | None | -229 | 2 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 420 | 5 | 2 | 5 | 5.2 | O=C(Nc1ccccc1)Nc1nc(-c2ccccc2)nc2nn(Cc3ccccc3)cc12 | 10.1021/jm901785w | ||
| CHEMBL1094132 | 8474 | 0 | None | -229 | 2 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 420 | 5 | 2 | 5 | 5.2 | O=C(Nc1ccccc1)Nc1nc(-c2ccccc2)nc2nn(Cc3ccccc3)cc12 | 10.1021/jm901785w | ||
| 46238066 | 8473 | 0 | None | -173 | 2 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 439 | 5 | 1 | 5 | 5.4 | O=C(Nc1nc(-c2ccccc2)nc2nn(Cc3ccccc3)cc12)c1cccc(Cl)c1 | 10.1021/jm901785w | ||
| CHEMBL1094131 | 8473 | 0 | None | -173 | 2 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 439 | 5 | 1 | 5 | 5.4 | O=C(Nc1nc(-c2ccccc2)nc2nn(Cc3ccccc3)cc12)c1cccc(Cl)c1 | 10.1021/jm901785w | ||
| 145962529 | 161367 | 0 | None | -1 | 3 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 291 | 4 | 2 | 7 | 2.7 | Cc1nc2c(N)nc(NCCc3cccs3)nc2s1 | 10.1016/j.bmc.2018.05.048 | ||
| CHEMBL4126427 | 161367 | 0 | None | -1 | 3 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 291 | 4 | 2 | 7 | 2.7 | Cc1nc2c(N)nc(NCCc3cccs3)nc2s1 | 10.1016/j.bmc.2018.05.048 | ||
| 15729970 | 137273 | 0 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 299 | 3 | 2 | 8 | 2.1 | Nc1nc(NC2CCCCC2)nc2nc(-c3ccco3)nn12 | 10.1016/j.ejmech.2015.12.019 | ||
| CHEMBL3752431 | 137273 | 0 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 299 | 3 | 2 | 8 | 2.1 | Nc1nc(NC2CCCCC2)nc2nc(-c3ccco3)nn12 | 10.1016/j.ejmech.2015.12.019 | ||
| 145964662 | 164414 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 433 | 8 | 3 | 6 | 2.2 | CCCn1c(=O)[nH]c2nc(-c3ccc(OCC(=O)NCc4ccccc4)cc3)[nH]c2c1=O | 10.1021/acs.jmedchem.7b01627 | ||
| CHEMBL4213768 | 164414 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 433 | 8 | 3 | 6 | 2.2 | CCCn1c(=O)[nH]c2nc(-c3ccc(OCC(=O)NCc4ccccc4)cc3)[nH]c2c1=O | 10.1021/acs.jmedchem.7b01627 | ||
| 45481758 | 198323 | 0 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 379 | 4 | 1 | 9 | 2.5 | Cn1cc2c(nc(NC(=O)Cc3ccsc3)n3nc(-c4ccco4)nc23)n1 | 10.1016/j.bmc.2009.05.038 | ||
| CHEMBL576369 | 198323 | 0 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 379 | 4 | 1 | 9 | 2.5 | Cn1cc2c(nc(NC(=O)Cc3ccsc3)n3nc(-c4ccco4)nc23)n1 | 10.1016/j.bmc.2009.05.038 | ||
| 45481619 | 198304 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 463 | 7 | 1 | 8 | 4.6 | CC(C)CCn1cc2c(nc(NC(=O)Cc3cccc(Cl)c3)n3nc(-c4ccco4)nc23)n1 | 10.1016/j.bmc.2009.05.038 | ||
| CHEMBL576185 | 198304 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 463 | 7 | 1 | 8 | 4.6 | CC(C)CCn1cc2c(nc(NC(=O)Cc3cccc(Cl)c3)n3nc(-c4ccco4)nc23)n1 | 10.1016/j.bmc.2009.05.038 | ||
| 53248698 | 60693 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 534 | 6 | 1 | 6 | 4.8 | CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)[C@@H]3CCN(C(=O)c4cccc(C(F)(F)F)c4)C3)sc12 | 10.1016/j.bmcl.2011.02.053 | ||
| CHEMBL1760886 | 60693 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 534 | 6 | 1 | 6 | 4.8 | CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)[C@@H]3CCN(C(=O)c4cccc(C(F)(F)F)c4)C3)sc12 | 10.1016/j.bmcl.2011.02.053 | ||
| 10544916 | 188285 | 0 | None | 15 | 2 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 337 | 1 | 2 | 7 | 2.3 | Cn1c(-c2ccco2)nc2c(N)nc(C#CC3(O)CCCCC3)nc21 | 10.1021/jm990499b | ||
| CHEMBL50051 | 188285 | 0 | None | 15 | 2 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 337 | 1 | 2 | 7 | 2.3 | Cn1c(-c2ccco2)nc2c(N)nc(C#CC3(O)CCCCC3)nc21 | 10.1021/jm990499b | ||
| 145436762 | 162486 | 0 | None | -3 | 2 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 327 | 5 | 2 | 8 | 3.2 | Nc1nc(NCCc2ccco2)nc2sc(-c3ccco3)nc12 | 10.1016/j.ejmech.2018.06.020 | ||
| CHEMBL4167557 | 162486 | 0 | None | -3 | 2 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 327 | 5 | 2 | 8 | 3.2 | Nc1nc(NCCc2ccco2)nc2sc(-c3ccco3)nc12 | 10.1016/j.ejmech.2018.06.020 | ||
| 11027412 | 29598 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 493 | 9 | 1 | 9 | 4.4 | O=C(COc1ccccc1)Nc1nc2nn(CCCc3ccccc3)cc2c2nc(-c3ccco3)nn12 | 10.1021/jm030852k | ||
| CHEMBL138593 | 29598 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 493 | 9 | 1 | 9 | 4.4 | O=C(COc1ccccc1)Nc1nc2nn(CCCc3ccccc3)cc2c2nc(-c3ccco3)nn12 | 10.1021/jm030852k | ||
| 135465785 | 487 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 496 | 8 | 2 | 12 | 0.0 | CCCn1c2=N/C(=c/3\o[nH]c(c3)OCC(=O)Nc3ccc4c(c3)OCO4)/N=c2c(=O)n(c1=O)CCC | 10.1021/jm0309654 | ||
| 439 | 487 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 496 | 8 | 2 | 12 | 0.0 | CCCn1c2=N/C(=c/3\o[nH]c(c3)OCC(=O)Nc3ccc4c(c3)OCO4)/N=c2c(=O)n(c1=O)CCC | 10.1021/jm0309654 | ||
| CHEMBL32582 | 487 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 496 | 8 | 2 | 12 | 0.0 | CCCn1c2=N/C(=c/3\o[nH]c(c3)OCC(=O)Nc3ccc4c(c3)OCO4)/N=c2c(=O)n(c1=O)CCC | 10.1021/jm0309654 | ||
| 10665761 | 189252 | 0 | None | 3 | 2 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 353 | 3 | 2 | 6 | 2.7 | CCC(O)(C#Cc1nc(N)c2nc(-c3cccc(F)c3)n(C)c2n1)CC | 10.1021/jm990499b | ||
| CHEMBL51192 | 189252 | 0 | None | 3 | 2 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 353 | 3 | 2 | 6 | 2.7 | CCC(O)(C#Cc1nc(N)c2nc(-c3cccc(F)c3)n(C)c2n1)CC | 10.1021/jm990499b | ||
| 145976828 | 163654 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 447 | 9 | 3 | 6 | 2.2 | CCCn1c(=O)[nH]c2nc(-c3ccc(OCC(=O)NCCc4ccccc4)cc3)[nH]c2c1=O | 10.1021/acs.jmedchem.7b01627 | ||
| CHEMBL4204683 | 163654 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 447 | 9 | 3 | 6 | 2.2 | CCCn1c(=O)[nH]c2nc(-c3ccc(OCC(=O)NCCc4ccccc4)cc3)[nH]c2c1=O | 10.1021/acs.jmedchem.7b01627 | ||
| 45482081 | 197906 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 497 | 7 | 1 | 8 | 5.3 | CC(C)CCn1cc2c(nc(NC(=O)Cc3c(Cl)cccc3Cl)n3nc(-c4ccco4)nc23)n1 | 10.1016/j.bmc.2009.05.038 | ||
| CHEMBL573089 | 197906 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 497 | 7 | 1 | 8 | 5.3 | CC(C)CCn1cc2c(nc(NC(=O)Cc3c(Cl)cccc3Cl)n3nc(-c4ccco4)nc23)n1 | 10.1016/j.bmc.2009.05.038 | ||
| 156010667 | 177093 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 556 | 9 | 4 | 11 | 2.0 | Nc1nc(NCC2CCN(CC(=O)NCc3ccc(S(N)(=O)=O)cc3)CC2)nc2sc(-c3ccco3)nc12 | 10.1016/j.bmcl.2020.127067 | ||
| CHEMBL4633630 | 177093 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 556 | 9 | 4 | 11 | 2.0 | Nc1nc(NCC2CCN(CC(=O)NCc3ccc(S(N)(=O)=O)cc3)CC2)nc2sc(-c3ccco3)nc12 | 10.1016/j.bmcl.2020.127067 | ||
| 46238068 | 8703 | 0 | None | -181 | 2 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 450 | 6 | 2 | 6 | 5.2 | COc1ccc(NC(=O)Nc2nc(-c3ccccc3)nc3nn(Cc4ccccc4)cc23)cc1 | 10.1021/jm901785w | ||
| CHEMBL1096078 | 8703 | 0 | None | -181 | 2 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 450 | 6 | 2 | 6 | 5.2 | COc1ccc(NC(=O)Nc2nc(-c3ccccc3)nc3nn(Cc4ccccc4)cc23)cc1 | 10.1021/jm901785w | ||
| 46883157 | 5790 | 0 | None | 11 | 2 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 353 | 5 | 1 | 8 | 3.4 | O=C(c1cncs1)c1nc(NCc2cccnc2)nc2ccsc12 | 10.1016/j.bmcl.2009.08.040 | ||
| CHEMBL1079044 | 5790 | 0 | None | 11 | 2 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 353 | 5 | 1 | 8 | 3.4 | O=C(c1cncs1)c1nc(NCc2cccnc2)nc2ccsc12 | 10.1016/j.bmcl.2009.08.040 | ||
| 46883155 | 5805 | 0 | None | 2 | 2 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 352 | 5 | 1 | 7 | 4.0 | O=C(c1ccsc1)c1nc(NCc2cccnc2)nc2ccsc12 | 10.1016/j.bmcl.2009.08.040 | ||
| CHEMBL1079132 | 5805 | 0 | None | 2 | 2 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 352 | 5 | 1 | 7 | 4.0 | O=C(c1ccsc1)c1nc(NCc2cccnc2)nc2ccsc12 | 10.1016/j.bmcl.2009.08.040 | ||
| 10449783 | 9614 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 338 | 2 | 0 | 5 | 3.7 | O=c1c(-c2ccccc2)nnc2n(-c3ccccc3)c3ccccc3n12 | 10.1021/jm201177b | ||
| CHEMBL112756 | 9614 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 338 | 2 | 0 | 5 | 3.7 | O=c1c(-c2ccccc2)nnc2n(-c3ccccc3)c3ccccc3n12 | 10.1021/jm201177b | ||
| 10237267 | 10770 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 373 | 4 | 1 | 5 | 3.7 | COc1ccc(N(C)C(C)=O)c2sc(NC(=O)c3ccc(F)cc3)nc12 | 10.1016/j.bmcl.2010.05.056 | ||
| CHEMBL1171898 | 10770 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 373 | 4 | 1 | 5 | 3.7 | COc1ccc(N(C)C(C)=O)c2sc(NC(=O)c3ccc(F)cc3)nc12 | 10.1016/j.bmcl.2010.05.056 | ||
| 136042350 | 71121 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 496 | 8 | 2 | 9 | 3.2 | CCCn1c(=O)c2[nH]c(-c3cc(OCc4nc5cc(Cl)ccc5[nH]4)nn3C)nc2n(CCC)c1=O | 10.1021/jm201292w | ||
| CHEMBL1955899 | 71121 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 496 | 8 | 2 | 9 | 3.2 | CCCn1c(=O)c2[nH]c(-c3cc(OCc4nc5cc(Cl)ccc5[nH]4)nn3C)nc2n(CCC)c1=O | 10.1021/jm201292w | ||
| 10824674 | 204885 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 252 | 1 | 1 | 6 | 2.2 | Oc1c(-c2ccco2)nnc2nc3ccccc3n12 | 10.1021/jm201177b | ||
| CHEMBL7608 | 204885 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 252 | 1 | 1 | 6 | 2.2 | Oc1c(-c2ccco2)nnc2nc3ccccc3n12 | 10.1021/jm201177b | ||
| 10895565 | 168428 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 445 | 8 | 1 | 9 | 3.8 | CC(C)CCn1cc2c(nc(NC(=O)COc3ccccc3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm030852k | ||
| CHEMBL435022 | 168428 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 445 | 8 | 1 | 9 | 3.8 | CC(C)CCn1cc2c(nc(NC(=O)COc3ccccc3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm030852k | ||
| 10616023 | 101835 | 0 | None | 3 | 2 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 325 | 1 | 2 | 6 | 1.9 | Cn1c(-c2cccc(F)c2)nc2c(N)nc(C#CC(C)(C)O)nc21 | 10.1021/jm990499b | ||
| CHEMBL300624 | 101835 | 0 | None | 3 | 2 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 325 | 1 | 2 | 6 | 1.9 | Cn1c(-c2cccc(F)c2)nc2c(N)nc(C#CC(C)(C)O)nc21 | 10.1021/jm990499b | ||
| 6448585 | 98311 | 6 | None | -1513 | 3 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 412 | 8 | 0 | 8 | 2.9 | CCCn1c(=O)c2c(nc(/C=C/c3ccc(OC)c(OC)c3)n2C)n(CCC)c1=O | 10.1021/jm990499b | ||
| CHEMBL2311150 | 98311 | 6 | None | -1513 | 3 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 412 | 8 | 0 | 8 | 2.9 | CCCn1c(=O)c2c(nc(/C=C/c3ccc(OC)c(OC)c3)n2C)n(CCC)c1=O | 10.1021/jm990499b | ||
| CHEMBL27508 | 98311 | 6 | None | -1513 | 3 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 412 | 8 | 0 | 8 | 2.9 | CCCn1c(=O)c2c(nc(/C=C/c3ccc(OC)c(OC)c3)n2C)n(CCC)c1=O | 10.1021/jm990499b | ||
| 45481757 | 197984 | 0 | None | - | 1 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 393 | 5 | 1 | 9 | 3.0 | CCn1cc2c(nc(NC(=O)Cc3cccs3)n3nc(-c4ccco4)nc23)n1 | 10.1016/j.bmc.2009.05.038 | ||
| CHEMBL573779 | 197984 | 0 | None | - | 1 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 393 | 5 | 1 | 9 | 3.0 | CCn1cc2c(nc(NC(=O)Cc3cccs3)n3nc(-c4ccco4)nc23)n1 | 10.1016/j.bmc.2009.05.038 | ||
| 155554464 | 174578 | 0 | None | -30 | 3 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 362 | 5 | 2 | 7 | 3.5 | N#Cc1c(N)nc(SCc2cccc(CO)c2)c(C#N)c1-c1ccco1 | 10.1021/acs.jmedchem.9b00106 | ||
| CHEMBL4557250 | 174578 | 0 | None | -30 | 3 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 362 | 5 | 2 | 7 | 3.5 | N#Cc1c(N)nc(SCc2cccc(CO)c2)c(C#N)c1-c1ccco1 | 10.1021/acs.jmedchem.9b00106 | ||
| 127045701 | 139945 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 339 | 3 | 1 | 6 | 3.7 | Cc1ccc(-c2nc(N)c3nn(Cc4ccccc4Cl)cc3n2)o1 | 10.1016/j.bmc.2016.04.048 | ||
| CHEMBL3799848 | 139945 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 339 | 3 | 1 | 6 | 3.7 | Cc1ccc(-c2nc(N)c3nn(Cc4ccccc4Cl)cc3n2)o1 | 10.1016/j.bmc.2016.04.048 | ||
| 136002186 | 109674 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 449 | 8 | 2 | 8 | 2.3 | CCCn1c(=O)c2nc(-c3cc(NC(=O)Cc4ccccc4)n(C)n3)[nH]c2n(CCC)c1=O | 10.1021/jm0309654 | ||
| CHEMBL32281 | 109674 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 449 | 8 | 2 | 8 | 2.3 | CCCn1c(=O)c2nc(-c3cc(NC(=O)Cc4ccccc4)n(C)n3)[nH]c2n(CCC)c1=O | 10.1021/jm0309654 | ||
| 23656936 | 154872 | 0 | None | -2630 | 2 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 425 | 4 | 1 | 7 | 3.6 | COc1ccc(C(=O)Nc2nc3ccccc3n3c(=O)c(-c4ccc(C)cc4)nn23)cc1 | 10.1021/jm0708376 | ||
| CHEMBL400812 | 154872 | 0 | None | -2630 | 2 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 425 | 4 | 1 | 7 | 3.6 | COc1ccc(C(=O)Nc2nc3ccccc3n3c(=O)c(-c4ccc(C)cc4)nn23)cc1 | 10.1021/jm0708376 | ||
| 60156107 | 76956 | 0 | None | -33 | 2 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 542 | 7 | 3 | 9 | 3.2 | Cn1cc2c(nc(NC(=O)NC3CCN(C(=O)NCCCc4ccccc4)CC3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm300323t | ||
| CHEMBL2071045 | 76956 | 0 | None | -33 | 2 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 542 | 7 | 3 | 9 | 3.2 | Cn1cc2c(nc(NC(=O)NC3CCN(C(=O)NCCCc4ccccc4)CC3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm300323t | ||
| 135874415 | 95865 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 527 | 8 | 2 | 8 | 3.3 | CCCn1c(=O)c2[nH]c(-c3cc(C)n(CC(=O)Nc4ccc(Br)cc4)n3)nc2n(CCC)c1=O | 10.1016/j.bmc.2007.11.058 | ||
| CHEMBL259177 | 95865 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 527 | 8 | 2 | 8 | 3.3 | CCCn1c(=O)c2[nH]c(-c3cc(C)n(CC(=O)Nc4ccc(Br)cc4)n3)nc2n(CCC)c1=O | 10.1016/j.bmc.2007.11.058 | ||
| 156018055 | 177896 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 570 | 10 | 4 | 11 | 2.1 | Nc1nc(NCC2CCN(CC(=O)NCCc3ccc(S(N)(=O)=O)cc3)CC2)nc2sc(-c3ccco3)nc12 | 10.1016/j.bmcl.2020.127067 | ||
| CHEMBL4645283 | 177896 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 570 | 10 | 4 | 11 | 2.1 | Nc1nc(NCC2CCN(CC(=O)NCCc3ccc(S(N)(=O)=O)cc3)CC2)nc2sc(-c3ccco3)nc12 | 10.1016/j.bmcl.2020.127067 | ||
| 49797748 | 10588 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 480 | 6 | 1 | 6 | 4.6 | CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(C(=O)N4CCCCC4)cc3)sc12 | 10.1016/j.bmcl.2010.05.056 | ||
| CHEMBL1170135 | 10588 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 480 | 6 | 1 | 6 | 4.6 | CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(C(=O)N4CCCCC4)cc3)sc12 | 10.1016/j.bmcl.2010.05.056 | ||
| 49798137 | 10713 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 466 | 6 | 1 | 6 | 4.2 | CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(C(=O)N4CCCC4)cc3)sc12 | 10.1016/j.bmcl.2010.05.056 | ||
| CHEMBL1171200 | 10713 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 466 | 6 | 1 | 6 | 4.2 | CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(C(=O)N4CCCC4)cc3)sc12 | 10.1016/j.bmcl.2010.05.056 | ||
| 46883208 | 5948 | 0 | None | 3 | 2 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 386 | 5 | 1 | 7 | 4.6 | O=C(c1cccs1)c1nc(NCc2cccnc2)nc2cc(Cl)sc12 | 10.1016/j.bmcl.2009.08.040 | ||
| CHEMBL1080068 | 5948 | 0 | None | 3 | 2 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 386 | 5 | 1 | 7 | 4.6 | O=C(c1cccs1)c1nc(NCc2cccnc2)nc2cc(Cl)sc12 | 10.1016/j.bmcl.2009.08.040 | ||
| 54581142 | 60691 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 598 | 8 | 2 | 7 | 5.2 | CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)[C@H]3CC[C@@H](NS(=O)(=O)c4cccc(C(F)(F)F)c4)CC3)sc12 | 10.1016/j.bmcl.2011.02.053 | ||
| CHEMBL1760884 | 60691 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 598 | 8 | 2 | 7 | 5.2 | CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)[C@H]3CC[C@@H](NS(=O)(=O)c4cccc(C(F)(F)F)c4)CC3)sc12 | 10.1016/j.bmcl.2011.02.053 | ||
| 44186717 | 184121 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 538 | 8 | 2 | 8 | 2.0 | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc(OC)cc5)CC4)cc3)[nH]c2c1=O | 10.1021/jm900413e | ||
| CHEMBL482855 | 184121 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 538 | 8 | 2 | 8 | 2.0 | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc(OC)cc5)CC4)cc3)[nH]c2c1=O | 10.1021/jm900413e | ||
| 135465774 | 111452 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 467 | 8 | 2 | 8 | 2.4 | CCCn1c(=O)c2nc(-c3cc(NC(=O)Cc4cccc(F)c4)nn3C)[nH]c2n(CCC)c1=O | 10.1021/jm0309654 | ||
| CHEMBL32770 | 111452 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 467 | 8 | 2 | 8 | 2.4 | CCCn1c(=O)c2nc(-c3cc(NC(=O)Cc4cccc(F)c4)nn3C)[nH]c2n(CCC)c1=O | 10.1021/jm0309654 | ||
| 11793210 | 185848 | 0 | None | 7 | 2 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 365 | 1 | 2 | 6 | 2.8 | Cn1c(-c2ccc(F)cc2)nc2c(N)nc(C#CC3(O)CCCCC3)nc21 | 10.1021/jm990499b | ||
| CHEMBL48681 | 185848 | 0 | None | 7 | 2 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 365 | 1 | 2 | 6 | 2.8 | Cn1c(-c2ccc(F)cc2)nc2c(N)nc(C#CC3(O)CCCCC3)nc21 | 10.1021/jm990499b | ||
| 10667322 | 101474 | 0 | None | - | 1 | Rat | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 377 | 2 | 2 | 7 | 2.7 | COc1cccc(-c2nc3c(N)nc(C#CC4(O)CCCCC4)nc3n2C)c1 | 10.1021/jm990499b | ||
| CHEMBL297949 | 101474 | 0 | None | - | 1 | Rat | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 377 | 2 | 2 | 7 | 2.7 | COc1cccc(-c2nc3c(N)nc(C#CC4(O)CCCCC4)nc3n2C)c1 | 10.1021/jm990499b | ||
| 46883107 | 5800 | 0 | None | 5 | 2 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 380 | 5 | 1 | 7 | 4.9 | Cc1ccc(C(=O)c2nc(NC(C)c3cccnc3)nc3ccsc23)s1 | 10.1016/j.bmcl.2009.08.040 | ||
| CHEMBL1079115 | 5800 | 0 | None | 5 | 2 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 380 | 5 | 1 | 7 | 4.9 | Cc1ccc(C(=O)c2nc(NC(C)c3cccnc3)nc3ccsc23)s1 | 10.1016/j.bmcl.2009.08.040 | ||
| 54584124 | 60698 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 548 | 6 | 1 | 6 | 5.2 | CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)C3CCN(C(=O)c4cccc(C(F)(F)F)c4)CC3)sc12 | 10.1016/j.bmcl.2011.02.053 | ||
| CHEMBL1760892 | 60698 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 548 | 6 | 1 | 6 | 5.2 | CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)C3CCN(C(=O)c4cccc(C(F)(F)F)c4)CC3)sc12 | 10.1016/j.bmcl.2011.02.053 | ||
| 10906943 | 116504 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 479 | 7 | 1 | 8 | 5.1 | CC(C)CCn1cc2c(nc(NC(=O)Cc3cccc4ccccc34)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm030852k | ||
| CHEMBL336217 | 116504 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 479 | 7 | 1 | 8 | 5.1 | CC(C)CCn1cc2c(nc(NC(=O)Cc3cccc4ccccc34)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm030852k | ||
| 155520955 | 170546 | 0 | None | - | 1 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 351 | 2 | 4 | 9 | 1.2 | Nc1nc(-c2cc(O)c(O)c(O)c2)cn2c(=O)n(-c3ccccc3)nc12 | 10.1021/acs.jmedchem.9b00778 | ||
| CHEMBL4450312 | 170546 | 0 | None | - | 1 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 351 | 2 | 4 | 9 | 1.2 | Nc1nc(-c2cc(O)c(O)c(O)c2)cn2c(=O)n(-c3ccccc3)nc12 | 10.1021/acs.jmedchem.9b00778 | ||
| 145964230 | 163987 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 461 | 10 | 3 | 6 | 2.6 | CCCn1c(=O)[nH]c2nc(-c3ccc(OCC(=O)NCCCc4ccccc4)cc3)[nH]c2c1=O | 10.1021/acs.jmedchem.7b01627 | ||
| CHEMBL4208432 | 163987 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 461 | 10 | 3 | 6 | 2.6 | CCCn1c(=O)[nH]c2nc(-c3ccc(OCC(=O)NCCCc4ccccc4)cc3)[nH]c2c1=O | 10.1021/acs.jmedchem.7b01627 | ||
| 60156106 | 76774 | 0 | None | -75 | 2 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 528 | 6 | 3 | 9 | 2.8 | Cn1cc2c(nc(NC(=O)NC3CCN(C(=O)NCCc4ccccc4)CC3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm300323t | ||
| CHEMBL2069325 | 76774 | 0 | None | -75 | 2 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 528 | 6 | 3 | 9 | 2.8 | Cn1cc2c(nc(NC(=O)NC3CCN(C(=O)NCCc4ccccc4)CC3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm300323t | ||
| 46883156 | 5789 | 0 | None | 4 | 2 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 353 | 5 | 1 | 8 | 3.4 | O=C(c1nccs1)c1nc(NCc2cccnc2)nc2ccsc12 | 10.1016/j.bmcl.2009.08.040 | ||
| CHEMBL1079043 | 5789 | 0 | None | 4 | 2 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 353 | 5 | 1 | 8 | 3.4 | O=C(c1nccs1)c1nc(NCc2cccnc2)nc2ccsc12 | 10.1016/j.bmcl.2009.08.040 | ||
| 134147994 | 150086 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 351 | 6 | 2 | 7 | 4.0 | Nc1nc(NCCCc2ccccc2)nc2sc(-c3ccco3)nc12 | 10.1021/acs.jmedchem.6b01068 | ||
| CHEMBL3951103 | 150086 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 351 | 6 | 2 | 7 | 4.0 | Nc1nc(NCCCc2ccccc2)nc2sc(-c3ccco3)nc12 | 10.1021/acs.jmedchem.6b01068 | ||
| 46883110 | 5803 | 0 | None | 2 | 2 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 352 | 5 | 1 | 7 | 4.0 | O=C(c1cccs1)c1nc(NCc2cccnc2)nc2ccsc12 | 10.1016/j.bmcl.2009.08.040 | ||
| CHEMBL1079118 | 5803 | 0 | None | 2 | 2 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 352 | 5 | 1 | 7 | 4.0 | O=C(c1cccs1)c1nc(NCc2cccnc2)nc2ccsc12 | 10.1016/j.bmcl.2009.08.040 | ||
| 25230181 | 5927 | 0 | None | 26 | 2 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 353 | 4 | 1 | 6 | 3.5 | C[C@H](Nc1nc(C(=O)N2CCCC2)c2sccc2n1)c1cccnc1 | 10.1016/j.bmcl.2009.08.040 | ||
| CHEMBL1079894 | 5927 | 0 | None | 26 | 2 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 353 | 4 | 1 | 6 | 3.5 | C[C@H](Nc1nc(C(=O)N2CCCC2)c2sccc2n1)c1cccnc1 | 10.1016/j.bmcl.2009.08.040 | ||
| 54585058 | 60705 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 520 | 5 | 1 | 5 | 6.1 | CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)N3CCC(c4cccc(C(F)(F)F)c4)CC3)sc12 | 10.1016/j.bmcl.2011.02.053 | ||
| CHEMBL1760900 | 60705 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 520 | 5 | 1 | 5 | 6.1 | CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)N3CCC(c4cccc(C(F)(F)F)c4)CC3)sc12 | 10.1016/j.bmcl.2011.02.053 | ||
| 134152846 | 153518 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 369 | 5 | 4 | 9 | 3.0 | Nc1nc(NCCc2ccc(O)c(O)c2)nc2sc(-c3ccco3)nc12 | 10.1021/acs.jmedchem.6b01068 | ||
| CHEMBL3980049 | 153518 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 369 | 5 | 4 | 9 | 3.0 | Nc1nc(NCCc2ccc(O)c(O)c2)nc2sc(-c3ccco3)nc12 | 10.1021/acs.jmedchem.6b01068 | ||
| 3284 | 3194 | 35 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 528 | 6 | 2 | 7 | 2.7 | CCCn1c(=O)[nH]c2c(c1=O)[nH]c(n2)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)Cl | 10.1021/acs.jmedchem.7b01627 | ||
| 44185871 | 3194 | 35 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 528 | 6 | 2 | 7 | 2.7 | CCCn1c(=O)[nH]c2c(c1=O)[nH]c(n2)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)Cl | 10.1021/acs.jmedchem.7b01627 | ||
| 5728 | 3194 | 35 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 528 | 6 | 2 | 7 | 2.7 | CCCn1c(=O)[nH]c2c(c1=O)[nH]c(n2)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)Cl | 10.1021/acs.jmedchem.7b01627 | ||
| CHEMBL483688 | 3194 | 35 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 528 | 6 | 2 | 7 | 2.7 | CCCn1c(=O)[nH]c2c(c1=O)[nH]c(n2)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)Cl | 10.1021/acs.jmedchem.7b01627 | ||
| 136042335 | 71133 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 490 | 8 | 2 | 10 | 1.9 | CCCn1c(=O)c2[nH]c(-c3cc(OCc4nc(=O)c5ccccc5[nH]4)nn3C)nc2n(CCC)c1=O | 10.1021/jm201292w | ||
| CHEMBL1955911 | 71133 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 490 | 8 | 2 | 10 | 1.9 | CCCn1c(=O)c2[nH]c(-c3cc(OCc4nc(=O)c5ccccc5[nH]4)nn3C)nc2n(CCC)c1=O | 10.1021/jm201292w | ||
| 11762982 | 26173 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 513 | 7 | 1 | 8 | 5.3 | O=C(Cc1cccc2ccccc12)Nc1nc2nn(CCc3ccccc3)cc2c2nc(-c3ccco3)nn12 | 10.1021/jm030852k | ||
| CHEMBL135719 | 26173 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 513 | 7 | 1 | 8 | 5.3 | O=C(Cc1cccc2ccccc12)Nc1nc2nn(CCc3ccccc3)cc2c2nc(-c3ccco3)nn12 | 10.1021/jm030852k | ||
| 145960536 | 161604 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 271 | 3 | 2 | 6 | 2.6 | Cc1nc2c(N)nc(NCc3ccccc3)nc2s1 | 10.1016/j.bmc.2018.05.048 | ||
| CHEMBL4130003 | 161604 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 271 | 3 | 2 | 6 | 2.6 | Cc1nc2c(N)nc(NCc3ccccc3)nc2s1 | 10.1016/j.bmc.2018.05.048 | ||
| 45482085 | 198082 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 421 | 7 | 1 | 9 | 3.8 | CCCCn1cc2c(nc(NC(=O)Cc3cccs3)n3nc(-c4ccco4)nc23)n1 | 10.1016/j.bmc.2009.05.038 | ||
| CHEMBL574489 | 198082 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 421 | 7 | 1 | 9 | 3.8 | CCCCn1cc2c(nc(NC(=O)Cc3cccs3)n3nc(-c4ccco4)nc23)n1 | 10.1016/j.bmc.2009.05.038 | ||
| 135529391 | 480 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 555 | 10 | 2 | 10 | 1.5 | CCCn1c2=N/C(=c\3/cc([nH]n3C)NC(=O)Cc3ccc(cc3)OCc3ccccc3)/N=c2c(=O)n(c1=O)CCC | 10.1021/jm0309654 | ||
| 438 | 480 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 555 | 10 | 2 | 10 | 1.5 | CCCn1c2=N/C(=c\3/cc([nH]n3C)NC(=O)Cc3ccc(cc3)OCc3ccccc3)/N=c2c(=O)n(c1=O)CCC | 10.1021/jm0309654 | ||
| CHEMBL285900 | 480 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 555 | 10 | 2 | 10 | 1.5 | CCCn1c2=N/C(=c\3/cc([nH]n3C)NC(=O)Cc3ccc(cc3)OCc3ccccc3)/N=c2c(=O)n(c1=O)CCC | 10.1021/jm0309654 | ||
| 134157761 | 154005 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 289 | 5 | 2 | 7 | 3.1 | CCCCNc1nc(N)c2nc(-c3ccco3)sc2n1 | 10.1021/acs.jmedchem.6b01068 | ||
| CHEMBL3984266 | 154005 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 289 | 5 | 2 | 7 | 3.1 | CCCCNc1nc(N)c2nc(-c3ccco3)sc2n1 | 10.1021/acs.jmedchem.6b01068 | ||
| 135874430 | 160106 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 517 | 8 | 2 | 8 | 3.8 | CCCn1c(=O)c2[nH]c(-c3cc(C)n(CC(=O)Nc4ccc(Cl)c(Cl)c4)n3)nc2n(CCC)c1=O | 10.1016/j.bmc.2007.11.058 | ||
| CHEMBL410895 | 160106 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 517 | 8 | 2 | 8 | 3.8 | CCCn1c(=O)c2[nH]c(-c3cc(C)n(CC(=O)Nc4ccc(Cl)c(Cl)c4)n3)nc2n(CCC)c1=O | 10.1016/j.bmc.2007.11.058 | ||
| 25231168 | 5666 | 0 | None | 32 | 2 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 339 | 4 | 1 | 6 | 2.9 | O=C(c1nc(NCc2cccnc2)nc2ccsc12)N1CCCC1 | 10.1016/j.bmcl.2009.08.040 | ||
| CHEMBL1078030 | 5666 | 0 | None | 32 | 2 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 339 | 4 | 1 | 6 | 2.9 | O=C(c1nc(NCc2cccnc2)nc2ccsc12)N1CCCC1 | 10.1016/j.bmcl.2009.08.040 | ||
| 49797856 | 10819 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 401 | 5 | 1 | 5 | 4.5 | COc1ccc(N(C(C)=O)C(C)C)c2sc(NC(=O)c3ccc(F)cc3)nc12 | 10.1016/j.bmcl.2010.05.056 | ||
| CHEMBL1172270 | 10819 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 401 | 5 | 1 | 5 | 4.5 | COc1ccc(N(C(C)=O)C(C)C)c2sc(NC(=O)c3ccc(F)cc3)nc12 | 10.1016/j.bmcl.2010.05.056 | ||
| 49797771 | 10823 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 435 | 6 | 1 | 7 | 4.1 | CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(-n4ccnc4)cc3)sc12 | 10.1016/j.bmcl.2010.05.056 | ||
| CHEMBL1172275 | 10823 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 435 | 6 | 1 | 7 | 4.1 | CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(-n4ccnc4)cc3)sc12 | 10.1016/j.bmcl.2010.05.056 | ||
| 49797773 | 10825 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 490 | 8 | 1 | 7 | 3.3 | CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(CN(C)S(C)(=O)=O)cc3)sc12 | 10.1016/j.bmcl.2010.05.056 | ||
| CHEMBL1172277 | 10825 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 490 | 8 | 1 | 7 | 3.3 | CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(CN(C)S(C)(=O)=O)cc3)sc12 | 10.1016/j.bmcl.2010.05.056 | ||
| 46883106 | 5651 | 0 | None | 6 | 2 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 380 | 5 | 1 | 7 | 4.9 | Cc1ccc(C(=O)c2nc(NC(C)c3ccccn3)nc3ccsc23)s1 | 10.1016/j.bmcl.2009.08.040 | ||
| CHEMBL1077915 | 5651 | 0 | None | 6 | 2 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 380 | 5 | 1 | 7 | 4.9 | Cc1ccc(C(=O)c2nc(NC(C)c3ccccn3)nc3ccsc23)s1 | 10.1016/j.bmcl.2009.08.040 | ||
| 25230948 | 6003 | 0 | None | 3 | 4 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 395 | 7 | 2 | 8 | 4.4 | CCNc1cc2nc(NCc3cccnc3)nc(C(=O)c3cccs3)c2s1 | 10.1016/j.bmcl.2009.08.040 | ||
| CHEMBL1080421 | 6003 | 0 | None | 3 | 4 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 395 | 7 | 2 | 8 | 4.4 | CCNc1cc2nc(NCc3cccnc3)nc(C(=O)c3cccs3)c2s1 | 10.1016/j.bmcl.2009.08.040 | ||
| 54583134 | 63079 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 534 | 8 | 2 | 6 | 5.6 | CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)[C@@H]3CC[C@H](NCc4cccc(C(F)(F)F)c4)C3)sc12 | 10.1016/j.bmcl.2011.02.053 | ||
| CHEMBL1760891 | 63079 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 534 | 8 | 2 | 6 | 5.6 | CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)[C@@H]3CC[C@H](NCc4cccc(C(F)(F)F)c4)C3)sc12 | 10.1016/j.bmcl.2011.02.053 | ||
| CHEMBL1789250 | 63079 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 534 | 8 | 2 | 6 | 5.6 | CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)[C@@H]3CC[C@H](NCc4cccc(C(F)(F)F)c4)C3)sc12 | 10.1016/j.bmcl.2011.02.053 | ||
| 11080491 | 22764 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 429 | 7 | 1 | 8 | 4.0 | CC(C)CCn1cc2c(nc(NC(=O)Cc3ccccc3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm030852k | ||
| CHEMBL132806 | 22764 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 429 | 7 | 1 | 8 | 4.0 | CC(C)CCn1cc2c(nc(NC(=O)Cc3ccccc3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm030852k | ||
| 10597086 | 208060 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 399 | 6 | 2 | 7 | 3.4 | O=C(O)CCCC(=O)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12 | 10.1021/jm980094b | ||
| CHEMBL97753 | 208060 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 399 | 6 | 2 | 7 | 3.4 | O=C(O)CCCC(=O)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12 | 10.1021/jm980094b | ||
| 52948788 | 17698 | 0 | None | -2137 | 2 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 489 | 5 | 2 | 6 | 6.3 | Cc1ccccc1-n1nc(C(F)(F)F)c(-c2ccc3nccnc3c2)c1Nc1ccccc1C(=O)O | 10.1016/j.bmcl.2010.07.095 | ||
| CHEMBL1258622 | 17698 | 0 | None | -2137 | 2 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 489 | 5 | 2 | 6 | 6.3 | Cc1ccccc1-n1nc(C(F)(F)F)c(-c2ccc3nccnc3c2)c1Nc1ccccc1C(=O)O | 10.1016/j.bmcl.2010.07.095 | ||
| 136042345 | 71142 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 585 | 8 | 2 | 9 | 4.9 | CCCn1c(=O)c2[nH]c(-c3cc(OCc4nc5c(C(F)(F)F)cc(C(F)(F)F)cc5[nH]4)no3)nc2n(CCC)c1=O | 10.1021/jm201292w | ||
| CHEMBL1955921 | 71142 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 585 | 8 | 2 | 9 | 4.9 | CCCn1c(=O)c2[nH]c(-c3cc(OCc4nc5c(C(F)(F)F)cc(C(F)(F)F)cc5[nH]4)no3)nc2n(CCC)c1=O | 10.1021/jm201292w | ||
| 56964460 | 74694 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 362 | 2 | 0 | 6 | 3.9 | O=c1c(-c2ccco2)nnc2n(-c3ccc(Cl)cc3)c3ccccc3n12 | 10.1021/jm201177b | ||
| CHEMBL2030704 | 74694 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 362 | 2 | 0 | 6 | 3.9 | O=c1c(-c2ccco2)nnc2n(-c3ccc(Cl)cc3)c3ccccc3n12 | 10.1021/jm201177b | ||
| 44186668 | 191486 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 562 | 6 | 2 | 7 | 2.6 | CCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5cccc(C(F)(F)F)c5)CC4)cc3)[nH]c2c1=O | 10.1021/jm900413e | ||
| CHEMBL519390 | 191486 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 562 | 6 | 2 | 7 | 2.6 | CCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5cccc(C(F)(F)F)c5)CC4)cc3)[nH]c2c1=O | 10.1021/jm900413e | ||
| 56964459 | 74693 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 372 | 2 | 0 | 5 | 4.4 | O=c1c(-c2ccccc2)nnc2n(-c3ccc(Cl)cc3)c3ccccc3n12 | 10.1021/jm201177b | ||
| CHEMBL2030703 | 74693 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 372 | 2 | 0 | 5 | 4.4 | O=c1c(-c2ccccc2)nnc2n(-c3ccc(Cl)cc3)c3ccccc3n12 | 10.1021/jm201177b | ||
| 56964461 | 74695 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 366 | 4 | 0 | 5 | 4.0 | O=c1c(-c2ccccc2)nnc2n(CCc3ccccc3)c3ccccc3n12 | 10.1021/jm201177b | ||
| CHEMBL2030705 | 74695 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 366 | 4 | 0 | 5 | 4.0 | O=c1c(-c2ccccc2)nnc2n(CCc3ccccc3)c3ccccc3n12 | 10.1021/jm201177b | ||
| 56924646 | 71143 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 332 | 5 | 2 | 7 | 0.4 | CCCn1c(=O)c2[nH]c(-c3cc(=O)[nH]n3C)nc2n(CCC)c1=O | 10.1021/jm201292w | ||
| CHEMBL1955922 | 71143 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 332 | 5 | 2 | 7 | 0.4 | CCCn1c(=O)c2[nH]c(-c3cc(=O)[nH]n3C)nc2n(CCC)c1=O | 10.1021/jm201292w | ||
| 53242165 | 60706 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 584 | 6 | 1 | 7 | 5.2 | CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)N3CCC(S(=O)(=O)c4cccc(C(F)(F)F)c4)CC3)sc12 | 10.1016/j.bmcl.2011.02.053 | ||
| CHEMBL1760901 | 60706 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 584 | 6 | 1 | 7 | 5.2 | CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)N3CCC(S(=O)(=O)c4cccc(C(F)(F)F)c4)CC3)sc12 | 10.1016/j.bmcl.2011.02.053 | ||
| 10539663 | 204209 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 266 | 1 | 0 | 6 | 1.8 | Cn1c2ccccc2n2c(=O)c(-c3ccco3)nnc12 | 10.1021/jm201177b | ||
| CHEMBL7098 | 204209 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 266 | 1 | 0 | 6 | 1.8 | Cn1c2ccccc2n2c(=O)c(-c3ccco3)nnc12 | 10.1021/jm201177b | ||
| 135874421 | 168934 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 477 | 8 | 2 | 8 | 3.1 | CCCn1c(=O)c2[nH]c(-c3cc(C)n(CC(=O)Nc4ccc(C)c(C)c4)n3)nc2n(CCC)c1=O | 10.1016/j.bmc.2007.11.058 | ||
| CHEMBL438938 | 168934 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 477 | 8 | 2 | 8 | 3.1 | CCCn1c(=O)c2[nH]c(-c3cc(C)n(CC(=O)Nc4ccc(C)c(C)c4)n3)nc2n(CCC)c1=O | 10.1016/j.bmc.2007.11.058 | ||
| 51050845 | 69234 | 0 | None | - | 1 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 374 | 6 | 3 | 10 | 1.7 | CC(C)(C)OC(=O)NCCCNc1nc(N)n2nc(-c3ccco3)nc2n1 | 10.1021/jm101349u | ||
| CHEMBL1927428 | 69234 | 0 | None | - | 1 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 374 | 6 | 3 | 10 | 1.7 | CC(C)(C)OC(=O)NCCCNc1nc(N)n2nc(-c3ccco3)nc2n1 | 10.1021/jm101349u | ||
| 60155796 | 76937 | 0 | None | -16 | 2 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 471 | 5 | 2 | 9 | 3.1 | Cn1cc2c(nc(NC(=O)NC3CCN(Cc4ccccc4)CC3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm300323t | ||
| CHEMBL2070886 | 76937 | 0 | None | -16 | 2 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 471 | 5 | 2 | 9 | 3.1 | Cn1cc2c(nc(NC(=O)NC3CCN(Cc4ccccc4)CC3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm300323t | ||
| 145962364 | 161424 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 277 | 3 | 2 | 7 | 2.7 | Cc1nc2c(N)nc(NCc3cccs3)nc2s1 | 10.1016/j.bmc.2018.05.048 | ||
| CHEMBL4127395 | 161424 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 277 | 3 | 2 | 7 | 2.7 | Cc1nc2c(N)nc(NCc3cccs3)nc2s1 | 10.1016/j.bmc.2018.05.048 | ||
| 49797747 | 10587 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 482 | 6 | 1 | 7 | 3.4 | CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(C(=O)N4CCOCC4)cc3)sc12 | 10.1016/j.bmcl.2010.05.056 | ||
| CHEMBL1170134 | 10587 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 482 | 6 | 1 | 7 | 3.4 | CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(C(=O)N4CCOCC4)cc3)sc12 | 10.1016/j.bmcl.2010.05.056 | ||
| 49797749 | 10589 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 435 | 6 | 1 | 7 | 4.1 | CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(-n4cccn4)cc3)sc12 | 10.1016/j.bmcl.2010.05.056 | ||
| CHEMBL1170136 | 10589 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 435 | 6 | 1 | 7 | 4.1 | CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(-n4cccn4)cc3)sc12 | 10.1016/j.bmcl.2010.05.056 | ||
| 46911060 | 10616 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 373 | 5 | 1 | 7 | 2.7 | CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccnn3C)sc12 | 10.1016/j.bmcl.2010.05.056 | ||
| CHEMBL1170367 | 10616 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 373 | 5 | 1 | 7 | 2.7 | CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccnn3C)sc12 | 10.1016/j.bmcl.2010.05.056 | ||
| 49798138 | 10639 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 426 | 6 | 2 | 6 | 3.3 | CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(C(=O)NC)cc3)sc12 | 10.1016/j.bmcl.2010.05.056 | ||
| CHEMBL1170582 | 10639 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 426 | 6 | 2 | 6 | 3.3 | CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(C(=O)NC)cc3)sc12 | 10.1016/j.bmcl.2010.05.056 | ||
| 49797903 | 10709 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 359 | 5 | 2 | 6 | 2.7 | CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3cn[nH]c3)sc12 | 10.1016/j.bmcl.2010.05.056 | ||
| CHEMBL1171162 | 10709 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 359 | 5 | 2 | 6 | 2.7 | CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3cn[nH]c3)sc12 | 10.1016/j.bmcl.2010.05.056 | ||
| 46911060 | 10616 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 373 | 5 | 1 | 7 | 2.7 | CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccnn3C)sc12 | 10.1016/j.bmcl.2011.02.053 | ||
| CHEMBL1170367 | 10616 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 373 | 5 | 1 | 7 | 2.7 | CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccnn3C)sc12 | 10.1016/j.bmcl.2011.02.053 | ||
| 10994216 | 194896 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 463 | 7 | 1 | 8 | 4.2 | O=C(Cc1ccccc1)Nc1nc2nn(CCc3ccccc3)cc2c2nc(-c3ccco3)nn12 | 10.1021/jm030852k | ||
| CHEMBL541455 | 194896 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 463 | 7 | 1 | 8 | 4.2 | O=C(Cc1ccccc1)Nc1nc2nn(CCc3ccccc3)cc2c2nc(-c3ccco3)nn12 | 10.1021/jm030852k | ||
| 1922 | 202795 | 44 | None | -97 | 9 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 256 | 1 | 1 | 5 | 0.6 | Cn1c(=O)c2nc(-c3ccccc3)[nH]c2n(C)c1=O | 10.1021/jm990499b | ||
| CHEMBL62350 | 202795 | 44 | None | -97 | 9 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 256 | 1 | 1 | 5 | 0.6 | Cn1c(=O)c2nc(-c3ccccc3)[nH]c2n(C)c1=O | 10.1021/jm990499b | ||
| 135874431 | 96227 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 463 | 8 | 2 | 8 | 2.8 | CCCn1c(=O)c2[nH]c(-c3cc(C)n(CC(=O)Nc4ccc(C)cc4)n3)nc2n(CCC)c1=O | 10.1016/j.bmc.2007.11.058 | ||
| CHEMBL261028 | 96227 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 463 | 8 | 2 | 8 | 2.8 | CCCn1c(=O)c2[nH]c(-c3cc(C)n(CC(=O)Nc4ccc(C)cc4)n3)nc2n(CCC)c1=O | 10.1016/j.bmc.2007.11.058 | ||
| 60154739 | 76959 | 0 | None | -177 | 2 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 528 | 5 | 3 | 9 | 3.1 | Cc1ccc(CNC(=O)N2CCC(NC(=O)Nc3nc4nn(C)cc4c4nc(-c5ccco5)nn34)CC2)cc1 | 10.1021/jm300323t | ||
| CHEMBL2071048 | 76959 | 0 | None | -177 | 2 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 528 | 5 | 3 | 9 | 3.1 | Cc1ccc(CNC(=O)N2CCC(NC(=O)Nc3nc4nn(C)cc4c4nc(-c5ccco5)nn34)CC2)cc1 | 10.1021/jm300323t | ||
| 60154835 | 77170 | 0 | None | -17 | 2 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 507 | 3 | 2 | 10 | 1.2 | CN1CCN(C(=O)N2CCC(NC(=O)Nc3nc4nn(C)cc4c4nc(-c5ccco5)nn34)CC2)CC1 | 10.1021/jm300323t | ||
| CHEMBL2071051 | 77170 | 0 | None | -17 | 2 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 507 | 3 | 2 | 10 | 1.2 | CN1CCN(C(=O)N2CCC(NC(=O)Nc3nc4nn(C)cc4c4nc(-c5ccco5)nn34)CC2)CC1 | 10.1021/jm300323t | ||
| CHEMBL2079181 | 77170 | 0 | None | -17 | 2 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 507 | 3 | 2 | 10 | 1.2 | CN1CCN(C(=O)N2CCC(NC(=O)Nc3nc4nn(C)cc4c4nc(-c5ccco5)nn34)CC2)CC1 | 10.1021/jm300323t | ||
| 46883159 | 5807 | 0 | None | 2 | 2 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 360 | 5 | 1 | 6 | 4.2 | Cc1ccc(C(=O)c2nc(NCc3cccnc3)nc3ccsc23)cc1 | 10.1016/j.bmcl.2009.08.040 | ||
| CHEMBL1079142 | 5807 | 0 | None | 2 | 2 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 360 | 5 | 1 | 6 | 4.2 | Cc1ccc(C(=O)c2nc(NCc3cccnc3)nc3ccsc23)cc1 | 10.1016/j.bmcl.2009.08.040 | ||
| 136042337 | 71134 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 520 | 10 | 1 | 12 | 2.7 | CCCn1c(=O)c2[nH]c(-c3cc(OCc4noc(-c5cccc(OC)c5)n4)nn3C)nc2n(CCC)c1=O | 10.1021/jm201292w | ||
| CHEMBL1955913 | 71134 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 520 | 10 | 1 | 12 | 2.7 | CCCn1c(=O)c2[nH]c(-c3cc(OCc4noc(-c5cccc(OC)c5)n4)nn3C)nc2n(CCC)c1=O | 10.1021/jm201292w | ||
| 136042330 | 71127 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 506 | 9 | 3 | 10 | 2.3 | CCCn1c(=O)c2[nH]c(-c3cc(OCc4nc5cc(C(=O)O)ccc5[nH]4)nn3C)nc2n(CCC)c1=O | 10.1021/jm201292w | ||
| CHEMBL1955905 | 71127 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 506 | 9 | 3 | 10 | 2.3 | CCCn1c(=O)c2[nH]c(-c3cc(OCc4nc5cc(C(=O)O)ccc5[nH]4)nn3C)nc2n(CCC)c1=O | 10.1021/jm201292w | ||
| 10544916 | 188285 | 0 | None | -15 | 2 | Rat | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 337 | 1 | 2 | 7 | 2.3 | Cn1c(-c2ccco2)nc2c(N)nc(C#CC3(O)CCCCC3)nc21 | 10.1021/jm990499b | ||
| CHEMBL50051 | 188285 | 0 | None | -15 | 2 | Rat | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 337 | 1 | 2 | 7 | 2.3 | Cn1c(-c2ccco2)nc2c(N)nc(C#CC3(O)CCCCC3)nc21 | 10.1021/jm990499b | ||
| 9839545 | 137287 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 307 | 4 | 2 | 8 | 2.0 | Nc1nc(NCc2ccccc2)nc2nc(-c3ccco3)nn12 | 10.1016/j.ejmech.2015.12.019 | ||
| CHEMBL3752514 | 137287 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 307 | 4 | 2 | 8 | 2.0 | Nc1nc(NCc2ccccc2)nc2nc(-c3ccco3)nn12 | 10.1016/j.ejmech.2015.12.019 | ||
| 135874422 | 159061 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 509 | 10 | 2 | 10 | 2.5 | CCCn1c(=O)c2[nH]c(-c3cc(C)n(CC(=O)Nc4ccc(OC)c(OC)c4)n3)nc2n(CCC)c1=O | 10.1016/j.bmc.2007.11.058 | ||
| CHEMBL409736 | 159061 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 509 | 10 | 2 | 10 | 2.5 | CCCn1c(=O)c2[nH]c(-c3cc(C)n(CC(=O)Nc4ccc(OC)c(OC)c4)n3)nc2n(CCC)c1=O | 10.1016/j.bmc.2007.11.058 | ||
| 49797796 | 10585 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 391 | 4 | 1 | 4 | 4.7 | CCN(C(C)=O)c1ccc(Cl)c2nc(NC(=O)c3ccc(F)cc3)sc12 | 10.1016/j.bmcl.2010.05.056 | ||
| CHEMBL1170130 | 10585 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 391 | 4 | 1 | 4 | 4.7 | CCN(C(C)=O)c1ccc(Cl)c2nc(NC(=O)c3ccc(F)cc3)sc12 | 10.1016/j.bmcl.2010.05.056 | ||
| 49797878 | 10750 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 415 | 6 | 1 | 5 | 4.7 | COc1ccc(N(CC(C)C)C(C)=O)c2sc(NC(=O)c3ccc(F)cc3)nc12 | 10.1016/j.bmcl.2010.05.056 | ||
| CHEMBL1171718 | 10750 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 415 | 6 | 1 | 5 | 4.7 | COc1ccc(N(CC(C)C)C(C)=O)c2sc(NC(=O)c3ccc(F)cc3)nc12 | 10.1016/j.bmcl.2010.05.056 | ||
| 9842054 | 183916 | 0 | None | 10 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 365 | 1 | 2 | 6 | 2.8 | Cn1c(-c2cccc(F)c2)nc2c(N)nc(C#CC3(O)CCCCC3)nc21 | 10.1021/jm990499b | ||
| CHEMBL48153 | 183916 | 0 | None | 10 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 365 | 1 | 2 | 6 | 2.8 | Cn1c(-c2cccc(F)c2)nc2c(N)nc(C#CC3(O)CCCCC3)nc21 | 10.1021/jm990499b | ||
| 44186719 | 185892 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 552 | 7 | 2 | 9 | 1.7 | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc6c(c5)OCO6)CC4)cc3)[nH]c2c1=O | 10.1021/jm900413e | ||
| CHEMBL486893 | 185892 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 552 | 7 | 2 | 9 | 1.7 | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc6c(c5)OCO6)CC4)cc3)[nH]c2c1=O | 10.1021/jm900413e | ||
| 49797854 | 10817 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 409 | 5 | 1 | 5 | 4.3 | COc1ccc(N(C(C)=O)C(F)F)c2sc(NC(=O)c3ccc(F)cc3)nc12 | 10.1016/j.bmcl.2010.05.056 | ||
| CHEMBL1172268 | 10817 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 409 | 5 | 1 | 5 | 4.3 | COc1ccc(N(C(C)=O)C(F)F)c2sc(NC(=O)c3ccc(F)cc3)nc12 | 10.1016/j.bmcl.2010.05.056 | ||
| 136042348 | 71147 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 508 | 9 | 2 | 10 | 2.5 | CCCn1c(=O)c2[nH]c(-c3cc(OCC(=O)Nc4ccc5c(c4)OCO5)nn3C)cc2n(CCC)c1=O | 10.1021/jm201292w | ||
| CHEMBL1955926 | 71147 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 508 | 9 | 2 | 10 | 2.5 | CCCn1c(=O)c2[nH]c(-c3cc(OCC(=O)Nc4ccc5c(c4)OCO5)nn3C)cc2n(CCC)c1=O | 10.1021/jm201292w | ||
| 145962202 | 161514 | 0 | None | -64 | 3 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 363 | 5 | 2 | 7 | 4.0 | COc1cccc(CNc2nc(N)c3nc(-c4ccccc4)sc3n2)c1 | 10.1016/j.bmc.2018.05.048 | ||
| CHEMBL4128596 | 161514 | 0 | None | -64 | 3 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 363 | 5 | 2 | 7 | 4.0 | COc1cccc(CNc2nc(N)c3nc(-c4ccccc4)sc3n2)c1 | 10.1016/j.bmc.2018.05.048 | ||
| 156821341 | 186392 | 0 | None | -2 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 461 | 4 | 2 | 9 | 2.5 | Cn1cc(-c2c(-c3ccc(F)cc3)nc(N)n3nc([C@H](O)c4ncccc4F)nc23)ccc1=O | 10.1021/acsmedchemlett.1c00620 | ||
| CHEMBL4876080 | 186392 | 0 | None | -2 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 461 | 4 | 2 | 9 | 2.5 | Cn1cc(-c2c(-c3ccc(F)cc3)nc(N)n3nc([C@H](O)c4ncccc4F)nc23)ccc1=O | 10.1021/acsmedchemlett.1c00620 | ||
| 134138275 | 147728 | 0 | None | -1 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 339 | 4 | 3 | 8 | 3.2 | Nc1nc(NCc2cccc(O)c2)nc2sc(-c3ccco3)nc12 | 10.1021/acs.jmedchem.6b01068 | ||
| CHEMBL3932413 | 147728 | 0 | None | -1 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 339 | 4 | 3 | 8 | 3.2 | Nc1nc(NCc2cccc(O)c2)nc2sc(-c3ccco3)nc12 | 10.1021/acs.jmedchem.6b01068 | ||
| 60155712 | 76932 | 0 | None | -9 | 2 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 381 | 3 | 3 | 9 | 1.1 | Cn1cc2c(nc(NC(=O)NC3CCNCC3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm300323t | ||
| CHEMBL2070880 | 76932 | 0 | None | -9 | 2 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 381 | 3 | 3 | 9 | 1.1 | Cn1cc2c(nc(NC(=O)NC3CCNCC3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm300323t | ||
| 11497239 | 11780 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 390 | 3 | 2 | 8 | 1.7 | Cn1cc2c(nc(NC(=O)Nc3ccc[n+](C)c3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm051147+ | ||
| CHEMBL1181982 | 11780 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 390 | 3 | 2 | 8 | 1.7 | Cn1cc2c(nc(NC(=O)Nc3ccc[n+](C)c3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm051147+ | ||
| CHEMBL203660 | 11780 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 390 | 3 | 2 | 8 | 1.7 | Cn1cc2c(nc(NC(=O)Nc3ccc[n+](C)c3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm051147+ | ||
| 118708238 | 113341 | 0 | None | -57 | 2 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 345 | 5 | 2 | 6 | 3.3 | Nc1nc(CCCc2ccccc2O)nc2cn(-c3ccccc3)nc12 | 10.1016/j.ejmech.2014.07.060 | ||
| CHEMBL3317578 | 113341 | 0 | None | -57 | 2 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 345 | 5 | 2 | 6 | 3.3 | Nc1nc(CCCc2ccccc2O)nc2cn(-c3ccccc3)nc12 | 10.1016/j.ejmech.2014.07.060 | ||
| 134142611 | 145860 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 353 | 5 | 3 | 8 | 3.3 | Nc1nc(NCCc2cccc(O)c2)nc2sc(-c3ccco3)nc12 | 10.1021/acs.jmedchem.6b01068 | ||
| CHEMBL3917647 | 145860 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 353 | 5 | 3 | 8 | 3.3 | Nc1nc(NCCc2cccc(O)c2)nc2sc(-c3ccco3)nc12 | 10.1021/acs.jmedchem.6b01068 | ||
| 11625796 | 74672 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 414 | 3 | 2 | 9 | 3.7 | Cn1cc2c(nc(NC(=O)Nc3cc4ccccc4o3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm051147+ | ||
| CHEMBL203054 | 74672 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 414 | 3 | 2 | 9 | 3.7 | Cn1cc2c(nc(NC(=O)Nc3cc4ccccc4o3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm051147+ | ||
| 11733496 | 24873 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 477 | 8 | 1 | 8 | 4.5 | O=C(Cc1ccccc1)Nc1nc2nn(CCCc3ccccc3)cc2c2nc(-c3ccco3)nn12 | 10.1021/jm030852k | ||
| CHEMBL134566 | 24873 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 477 | 8 | 1 | 8 | 4.5 | O=C(Cc1ccccc1)Nc1nc2nn(CCCc3ccccc3)cc2c2nc(-c3ccco3)nn12 | 10.1021/jm030852k | ||
| 9842054 | 183916 | 0 | None | -10 | 2 | Rat | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 365 | 1 | 2 | 6 | 2.8 | Cn1c(-c2cccc(F)c2)nc2c(N)nc(C#CC3(O)CCCCC3)nc21 | 10.1021/jm990499b | ||
| CHEMBL48153 | 183916 | 0 | None | -10 | 2 | Rat | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 365 | 1 | 2 | 6 | 2.8 | Cn1c(-c2cccc(F)c2)nc2c(N)nc(C#CC3(O)CCCCC3)nc21 | 10.1021/jm990499b | ||
| 57391653 | 69749 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 358 | 5 | 1 | 7 | 3.6 | Nc1nc2cn(CCCc3ccccc3)cc2c2nc(-c3ccco3)nn12 | 10.1016/j.bmc.2011.11.037 | ||
| CHEMBL1935746 | 69749 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 358 | 5 | 1 | 7 | 3.6 | Nc1nc2cn(CCCc3ccccc3)cc2c2nc(-c3ccco3)nn12 | 10.1016/j.bmc.2011.11.037 | ||
| 25231169 | 5482 | 0 | None | 2 | 2 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 325 | 5 | 2 | 6 | 2.6 | O=C(NC1CC1)c1nc(NCc2cccnc2)nc2ccsc12 | 10.1016/j.bmcl.2009.08.040 | ||
| CHEMBL1076503 | 5482 | 0 | None | 2 | 2 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 325 | 5 | 2 | 6 | 2.6 | O=C(NC1CC1)c1nc(NCc2cccnc2)nc2ccsc12 | 10.1016/j.bmcl.2009.08.040 | ||
| 136002248 | 71129 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 564 | 8 | 2 | 9 | 4.2 | CCCn1c(=O)c2[nH]c(-c3cc(OCc4nc5c(Cl)cc(C(F)(F)F)cc5[nH]4)nn3C)nc2n(CCC)c1=O | 10.1021/jm201292w | ||
| CHEMBL1955907 | 71129 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 564 | 8 | 2 | 9 | 4.2 | CCCn1c(=O)c2[nH]c(-c3cc(OCc4nc5c(Cl)cc(C(F)(F)F)cc5[nH]4)nn3C)nc2n(CCC)c1=O | 10.1021/jm201292w | ||
| 54585057 | 60703 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 562 | 7 | 2 | 6 | 5.6 | CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)[C@H]3CC[C@@H](NC(=O)c4cccc(C(F)(F)F)c4)CC3)sc12 | 10.1016/j.bmcl.2011.02.053 | ||
| CHEMBL1760898 | 60703 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 562 | 7 | 2 | 6 | 5.6 | CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)[C@H]3CC[C@@H](NC(=O)c4cccc(C(F)(F)F)c4)CC3)sc12 | 10.1016/j.bmcl.2011.02.053 | ||
| 11560202 | 74673 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 391 | 3 | 2 | 9 | 1.5 | Cn1cc2c(nc(NC(=O)Nc3ccc[n+]([O-])c3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm051147+ | ||
| CHEMBL203060 | 74673 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 391 | 3 | 2 | 9 | 1.5 | Cn1cc2c(nc(NC(=O)Nc3ccc[n+]([O-])c3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm051147+ | ||
| 145977111 | 163741 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 617 | 9 | 3 | 7 | 3.9 | CCCn1c(=O)[nH]c2nc(-c3ccc(OCC(=O)NCCC4=C5C(C)=CC(C)=[N+]5[B-](F)(F)n5c(C)cc(C)c54)cc3)[nH]c2c1=O | 10.1021/acs.jmedchem.7b01627 | ||
| CHEMBL4205635 | 163741 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 617 | 9 | 3 | 7 | 3.9 | CCCn1c(=O)[nH]c2nc(-c3ccc(OCC(=O)NCCC4=C5C(C)=CC(C)=[N+]5[B-](F)(F)n5c(C)cc(C)c54)cc3)[nH]c2c1=O | 10.1021/acs.jmedchem.7b01627 | ||
| 145962355 | 161412 | 0 | None | -416 | 3 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 363 | 5 | 2 | 7 | 4.0 | COc1ccccc1CNc1nc(N)c2nc(-c3ccccc3)sc2n1 | 10.1016/j.bmc.2018.05.048 | ||
| CHEMBL4127213 | 161412 | 0 | None | -416 | 3 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 363 | 5 | 2 | 7 | 4.0 | COc1ccccc1CNc1nc(N)c2nc(-c3ccccc3)sc2n1 | 10.1016/j.bmc.2018.05.048 | ||
| 135874428 | 167538 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 479 | 9 | 2 | 9 | 2.5 | CCCn1c(=O)c2[nH]c(-c3cc(C)n(CC(=O)Nc4cccc(OC)c4)n3)nc2n(CCC)c1=O | 10.1016/j.bmc.2007.11.058 | ||
| CHEMBL430044 | 167538 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 479 | 9 | 2 | 9 | 2.5 | CCCn1c(=O)c2[nH]c(-c3cc(C)n(CC(=O)Nc4cccc(OC)c4)n3)nc2n(CCC)c1=O | 10.1016/j.bmc.2007.11.058 | ||
| 57403905 | 69766 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 345 | 4 | 1 | 8 | 2.6 | Nc1nc2cn(CCc3ccccc3)nc2c2nc(-c3ccco3)nn12 | 10.1016/j.bmc.2011.11.037 | ||
| CHEMBL1935762 | 69766 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 345 | 4 | 1 | 8 | 2.6 | Nc1nc2cn(CCc3ccccc3)nc2c2nc(-c3ccco3)nn12 | 10.1016/j.bmc.2011.11.037 | ||
| 136042346 | 71145 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 461 | 8 | 2 | 8 | 3.2 | CCCn1c(=O)c2[nH]c(-c3cc(OCc4nc5ccccc5[nH]4)nn3C)cc2n(CCC)c1=O | 10.1021/jm201292w | ||
| CHEMBL1955924 | 71145 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 461 | 8 | 2 | 8 | 3.2 | CCCn1c(=O)c2[nH]c(-c3cc(OCc4nc5ccccc5[nH]4)nn3C)cc2n(CCC)c1=O | 10.1021/jm201292w | ||
| 46238064 | 8478 | 0 | None | -5 | 2 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 405 | 5 | 1 | 5 | 4.8 | O=C(Nc1nc(-c2ccccc2)nc2nn(Cc3ccccc3)cc12)c1ccccc1 | 10.1021/jm901785w | ||
| CHEMBL1094143 | 8478 | 0 | None | -5 | 2 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 405 | 5 | 1 | 5 | 4.8 | O=C(Nc1nc(-c2ccccc2)nc2nn(Cc3ccccc3)cc12)c1ccccc1 | 10.1021/jm901785w | ||
| 145972655 | 163006 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 369 | 5 | 2 | 8 | 4.0 | COc1cccc(CNc2nc(N)c3nc(-c4cccs4)sc3n2)c1 | 10.1016/j.ejmech.2018.06.020 | ||
| CHEMBL4175878 | 163006 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 369 | 5 | 2 | 8 | 4.0 | COc1cccc(CNc2nc(N)c3nc(-c4cccs4)sc3n2)c1 | 10.1016/j.ejmech.2018.06.020 | ||
| 49797794 | 10556 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 394 | 5 | 1 | 6 | 3.8 | CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(C#N)cc3)sc12 | 10.1016/j.bmcl.2010.05.056 | ||
| CHEMBL1169934 | 10556 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 394 | 5 | 1 | 6 | 3.8 | CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(C#N)cc3)sc12 | 10.1016/j.bmcl.2010.05.056 | ||
| 49797750 | 10721 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 437 | 6 | 1 | 9 | 2.9 | CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(-n4cnnn4)cc3)sc12 | 10.1016/j.bmcl.2010.05.056 | ||
| CHEMBL1171349 | 10721 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 437 | 6 | 1 | 9 | 2.9 | CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(-n4cnnn4)cc3)sc12 | 10.1016/j.bmcl.2010.05.056 | ||
| 49797772 | 10824 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 466 | 7 | 1 | 6 | 4.1 | CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(CN4CCCC4=O)cc3)sc12 | 10.1016/j.bmcl.2010.05.056 | ||
| CHEMBL1172276 | 10824 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 466 | 7 | 1 | 6 | 4.1 | CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(CN4CCCC4=O)cc3)sc12 | 10.1016/j.bmcl.2010.05.056 | ||
| 156017813 | 177803 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 402 | 5 | 3 | 9 | 2.2 | Nc1nc(NCc2ccc(S(N)(=O)=O)cc2)nc2sc(-c3ccco3)nc12 | 10.1016/j.bmcl.2020.127067 | ||
| CHEMBL4643898 | 177803 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 402 | 5 | 3 | 9 | 2.2 | Nc1nc(NCc2ccc(S(N)(=O)=O)cc2)nc2sc(-c3ccco3)nc12 | 10.1016/j.bmcl.2020.127067 | ||
| 54585057 | 60701 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 562 | 7 | 2 | 6 | 5.6 | CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)[C@H]3CC[C@H](NC(=O)c4cccc(C(F)(F)F)c4)CC3)sc12 | 10.1016/j.bmcl.2011.02.053 | ||
| CHEMBL1760895 | 60701 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 562 | 7 | 2 | 6 | 5.6 | CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)[C@H]3CC[C@H](NC(=O)c4cccc(C(F)(F)F)c4)CC3)sc12 | 10.1016/j.bmcl.2011.02.053 | ||
| 11684980 | 12281 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 390 | 3 | 2 | 8 | 1.7 | Cn1cc2c(nc(NC(=O)Nc3cccc[n+]3C)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm051147+ | ||
| CHEMBL1185010 | 12281 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 390 | 3 | 2 | 8 | 1.7 | Cn1cc2c(nc(NC(=O)Nc3cccc[n+]3C)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm051147+ | ||
| CHEMBL383689 | 12281 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 390 | 3 | 2 | 8 | 1.7 | Cn1cc2c(nc(NC(=O)Nc3cccc[n+]3C)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm051147+ | ||
| 164611330 | 185060 | 0 | None | -380 | 2 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 418 | 4 | 2 | 6 | 3.4 | Nc1nc(-c2ccc(F)cc2)c(-c2ccc(=O)[nH]c2)c2nc(CCC(F)(F)F)nn12 | 10.1021/acsmedchemlett.1c00620 | ||
| CHEMBL4855908 | 185060 | 0 | None | -380 | 2 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 418 | 4 | 2 | 6 | 3.4 | Nc1nc(-c2ccc(F)cc2)c(-c2ccc(=O)[nH]c2)c2nc(CCC(F)(F)F)nn12 | 10.1021/acsmedchemlett.1c00620 | ||
| 134138961 | 147599 | 0 | None | -1 | 2 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 353 | 5 | 2 | 8 | 3.5 | COc1ccc(CNc2nc(N)c3nc(-c4ccco4)sc3n2)cc1 | 10.1021/acs.jmedchem.6b01068 | ||
| CHEMBL3931329 | 147599 | 0 | None | -1 | 2 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 353 | 5 | 2 | 8 | 3.5 | COc1ccc(CNc2nc(N)c3nc(-c4ccco4)sc3n2)cc1 | 10.1021/acs.jmedchem.6b01068 | ||
| 46883071 | 5661 | 0 | None | -1 | 2 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 380 | 4 | 1 | 7 | 3.9 | Cc1ccc(C(=O)c2nc(NC(=O)c3cccnc3)nc3ccsc23)s1 | 10.1016/j.bmcl.2009.08.040 | ||
| CHEMBL1078001 | 5661 | 0 | None | -1 | 2 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 380 | 4 | 1 | 7 | 3.9 | Cc1ccc(C(=O)c2nc(NC(=O)c3cccnc3)nc3ccsc23)s1 | 10.1016/j.bmcl.2009.08.040 | ||
| 49797904 | 10710 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 373 | 5 | 1 | 7 | 2.7 | CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3cnn(C)c3)sc12 | 10.1016/j.bmcl.2010.05.056 | ||
| CHEMBL1171163 | 10710 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 373 | 5 | 1 | 7 | 2.7 | CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3cnn(C)c3)sc12 | 10.1016/j.bmcl.2010.05.056 | ||
| 127046050 | 140066 | 0 | None | -45 | 3 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 335 | 4 | 1 | 7 | 3.0 | COc1cccc(Cn2cc3nc(-c4ccc(C)o4)nc(N)c3n2)c1 | 10.1016/j.bmc.2016.04.048 | ||
| CHEMBL3800587 | 140066 | 0 | None | -45 | 3 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 335 | 4 | 1 | 7 | 3.0 | COc1cccc(Cn2cc3nc(-c4ccc(C)o4)nc(N)c3n2)c1 | 10.1016/j.bmc.2016.04.048 | ||
| 56964576 | 74697 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 372 | 2 | 0 | 5 | 4.4 | O=c1c(-c2ccccc2)nnc2n(-c3ccccc3)c3ccc(Cl)cc3n12 | 10.1021/jm201177b | ||
| CHEMBL2030707 | 74697 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 372 | 2 | 0 | 5 | 4.4 | O=c1c(-c2ccccc2)nnc2n(-c3ccccc3)c3ccc(Cl)cc3n12 | 10.1021/jm201177b | ||
| 44186626 | 184585 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 526 | 7 | 2 | 7 | 2.1 | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5cccc(F)c5)CC4)cc3)[nH]c2c1=O | 10.1021/jm900413e | ||
| CHEMBL484900 | 184585 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 526 | 7 | 2 | 7 | 2.1 | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5cccc(F)c5)CC4)cc3)[nH]c2c1=O | 10.1021/jm900413e | ||
| 25207803 | 5653 | 0 | None | 10 | 4 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 381 | 6 | 2 | 8 | 4.0 | CNc1cc2nc(NCc3cccnc3)nc(C(=O)c3cccs3)c2s1 | 10.1016/j.bmcl.2009.08.040 | ||
| CHEMBL1077943 | 5653 | 0 | None | 10 | 4 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 381 | 6 | 2 | 8 | 4.0 | CNc1cc2nc(NCc3cccnc3)nc(C(=O)c3cccs3)c2s1 | 10.1016/j.bmcl.2009.08.040 | ||
| 44186669 | 185773 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 576 | 7 | 2 | 7 | 3.0 | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5cccc(C(F)(F)F)c5)CC4)cc3)[nH]c2c1=O | 10.1021/jm900413e | ||
| CHEMBL486688 | 185773 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 576 | 7 | 2 | 7 | 3.0 | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5cccc(C(F)(F)F)c5)CC4)cc3)[nH]c2c1=O | 10.1021/jm900413e | ||
| 44186581 | 3183 | 27 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 542 | 7 | 2 | 7 | 2.7 | CCCn1c(=O)[nH]c2c(c1=O)[nH]c(n2)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)Cc1ccc(cc1)Cl | 10.1021/jm900413e | ||
| 6561 | 3183 | 27 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 542 | 7 | 2 | 7 | 2.7 | CCCn1c(=O)[nH]c2c(c1=O)[nH]c(n2)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)Cc1ccc(cc1)Cl | 10.1021/jm900413e | ||
| CHEMBL482436 | 3183 | 27 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 542 | 7 | 2 | 7 | 2.7 | CCCn1c(=O)[nH]c2c(c1=O)[nH]c(n2)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)Cc1ccc(cc1)Cl | 10.1021/jm900413e | ||
| 53248699 | 63073 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 548 | 8 | 2 | 6 | 6.0 | CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)[C@H]3CC[C@H](NCc4cccc(C(F)(F)F)c4)CC3)sc12 | 10.1016/j.bmcl.2011.02.053 | ||
| CHEMBL1760897 | 63073 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 548 | 8 | 2 | 6 | 6.0 | CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)[C@H]3CC[C@H](NCc4cccc(C(F)(F)F)c4)CC3)sc12 | 10.1016/j.bmcl.2011.02.053 | ||
| CHEMBL1789197 | 63073 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 548 | 8 | 2 | 6 | 6.0 | CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)[C@H]3CC[C@H](NCc4cccc(C(F)(F)F)c4)CC3)sc12 | 10.1016/j.bmcl.2011.02.053 | ||
| 4355631 | 193746 | 2 | None | 1 | 3 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 320 | 2 | 0 | 6 | 2.2 | COC(=O)C1=C2C=CN(C)C=C2c2nc(-c3ccccc3)nn2C1 | 10.1021/jm990499b | ||
| CHEMBL52735 | 193746 | 2 | None | 1 | 3 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 320 | 2 | 0 | 6 | 2.2 | COC(=O)C1=C2C=CN(C)C=C2c2nc(-c3ccccc3)nn2C1 | 10.1021/jm990499b | ||
| 25230180 | 5926 | 0 | None | 2 | 2 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 353 | 4 | 1 | 6 | 3.5 | C[C@@H](Nc1nc(C(=O)N2CCCC2)c2sccc2n1)c1cccnc1 | 10.1016/j.bmcl.2009.08.040 | ||
| CHEMBL1079893 | 5926 | 0 | None | 2 | 2 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 353 | 4 | 1 | 6 | 3.5 | C[C@@H](Nc1nc(C(=O)N2CCCC2)c2sccc2n1)c1cccnc1 | 10.1016/j.bmcl.2009.08.040 | ||
| 25231170 | 5483 | 0 | None | 8 | 2 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 327 | 5 | 2 | 6 | 2.8 | CC(C)NC(=O)c1nc(NCc2cccnc2)nc2ccsc12 | 10.1016/j.bmcl.2009.08.040 | ||
| CHEMBL1076504 | 5483 | 0 | None | 8 | 2 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 327 | 5 | 2 | 6 | 2.8 | CC(C)NC(=O)c1nc(NCc2cccnc2)nc2ccsc12 | 10.1016/j.bmcl.2009.08.040 | ||
| 57396935 | 69756 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 255 | 1 | 1 | 8 | 0.9 | Cn1ncc2nc(N)n3nc(-c4ccco4)nc3c21 | 10.1016/j.bmc.2011.11.037 | ||
| CHEMBL1935752 | 69756 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 255 | 1 | 1 | 8 | 0.9 | Cn1ncc2nc(N)n3nc(-c4ccco4)nc3c21 | 10.1016/j.bmc.2011.11.037 | ||
| 132991405 | 151039 | 3 | None | -6165 | 2 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 353 | 5 | 2 | 8 | 3.5 | COc1ccccc1CNc1nc(N)c2nc(-c3ccco3)sc2n1 | 10.1021/acs.jmedchem.6b01068 | ||
| CHEMBL3958838 | 151039 | 3 | None | -6165 | 2 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 353 | 5 | 2 | 8 | 3.5 | COc1ccccc1CNc1nc(N)c2nc(-c3ccco3)sc2n1 | 10.1021/acs.jmedchem.6b01068 | ||
| 118708239 | 113342 | 0 | None | -109 | 2 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 345 | 5 | 2 | 6 | 3.3 | Nc1nc(CCCc2cccc(O)c2)nc2cn(-c3ccccc3)nc12 | 10.1016/j.ejmech.2014.07.060 | ||
| CHEMBL3317579 | 113342 | 0 | None | -109 | 2 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 345 | 5 | 2 | 6 | 3.3 | Nc1nc(CCCc2cccc(O)c2)nc2cn(-c3ccccc3)nc12 | 10.1016/j.ejmech.2014.07.060 | ||
| 57391694 | 69758 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 345 | 4 | 1 | 8 | 2.6 | Nc1nc2cnn(CCc3ccccc3)c2c2nc(-c3ccco3)nn12 | 10.1016/j.bmc.2011.11.037 | ||
| CHEMBL1935754 | 69758 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 345 | 4 | 1 | 8 | 2.6 | Nc1nc2cnn(CCc3ccccc3)c2c2nc(-c3ccco3)nn12 | 10.1016/j.bmc.2011.11.037 | ||
| 57403904 | 69761 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 432 | 6 | 2 | 9 | 3.8 | CCCn1ncc2nc(NC(=O)Nc3ccc(OC)cc3)n3nc(-c4ccco4)nc3c21 | 10.1016/j.bmc.2011.11.037 | ||
| CHEMBL1935757 | 69761 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 432 | 6 | 2 | 9 | 3.8 | CCCn1ncc2nc(NC(=O)Nc3ccc(OC)cc3)n3nc(-c4ccco4)nc3c21 | 10.1016/j.bmc.2011.11.037 | ||
| 57398676 | 69767 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 359 | 5 | 1 | 8 | 2.9 | Nc1nc2cn(CCCc3ccccc3)nc2c2nc(-c3ccco3)nn12 | 10.1016/j.bmc.2011.11.037 | ||
| CHEMBL1935763 | 69767 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 359 | 5 | 1 | 8 | 2.9 | Nc1nc2cn(CCCc3ccccc3)nc2c2nc(-c3ccco3)nn12 | 10.1016/j.bmc.2011.11.037 | ||
| 25230949 | 5973 | 0 | None | 15 | 4 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 367 | 5 | 2 | 8 | 3.6 | Nc1cc2nc(NCc3cccnc3)nc(C(=O)c3cccs3)c2s1 | 10.1016/j.bmcl.2009.08.040 | ||
| CHEMBL1080241 | 5973 | 0 | None | 15 | 4 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 367 | 5 | 2 | 8 | 3.6 | Nc1cc2nc(NCc3cccnc3)nc(C(=O)c3cccs3)c2s1 | 10.1016/j.bmcl.2009.08.040 | ||
| 136042333 | 71131 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 514 | 8 | 2 | 9 | 3.4 | CCCn1c(=O)c2[nH]c(-c3cc(OCc4nc5cc(Cl)c(F)cc5[nH]4)nn3C)nc2n(CCC)c1=O | 10.1021/jm201292w | ||
| CHEMBL1955909 | 71131 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 514 | 8 | 2 | 9 | 3.4 | CCCn1c(=O)c2[nH]c(-c3cc(OCc4nc5cc(Cl)c(F)cc5[nH]4)nn3C)nc2n(CCC)c1=O | 10.1021/jm201292w | ||
| 134147788 | 149967 | 0 | None | -1 | 2 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 323 | 4 | 2 | 7 | 3.5 | Nc1nc(NCc2ccccc2)nc2sc(-c3ccco3)nc12 | 10.1021/acs.jmedchem.6b01068 | ||
| CHEMBL3950142 | 149967 | 0 | None | -1 | 2 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 323 | 4 | 2 | 7 | 3.5 | Nc1nc(NCc2ccccc2)nc2sc(-c3ccco3)nc12 | 10.1021/acs.jmedchem.6b01068 | ||
| 71601630 | 86893 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 225 | 1 | 1 | 5 | 1.7 | Cc1nc(N)c2nn(-c3ccccc3)cc2n1 | 10.1016/j.ejmech.2015.11.015 | ||
| CHEMBL2322916 | 86893 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 225 | 1 | 1 | 5 | 1.7 | Cc1nc(N)c2nn(-c3ccccc3)cc2n1 | 10.1016/j.ejmech.2015.11.015 | ||
| 71601630 | 86893 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 225 | 1 | 1 | 5 | 1.7 | Cc1nc(N)c2nn(-c3ccccc3)cc2n1 | 10.1016/j.bmc.2016.04.048 | ||
| CHEMBL2322916 | 86893 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 225 | 1 | 1 | 5 | 1.7 | Cc1nc(N)c2nn(-c3ccccc3)cc2n1 | 10.1016/j.bmc.2016.04.048 | ||
| 71601630 | 86893 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 225 | 1 | 1 | 5 | 1.7 | Cc1nc(N)c2nn(-c3ccccc3)cc2n1 | 10.1016/j.ejmech.2014.07.060 | ||
| CHEMBL2322916 | 86893 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 225 | 1 | 1 | 5 | 1.7 | Cc1nc(N)c2nn(-c3ccccc3)cc2n1 | 10.1016/j.ejmech.2014.07.060 | ||
| 44408316 | 75376 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 391 | 3 | 2 | 9 | 1.5 | Cn1cc2c(nc(NC(=O)Nc3cccc[n+]3[O-])n3nc(-c4ccco4)nc23)n1 | 10.1021/jm051147+ | ||
| CHEMBL203998 | 75376 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 391 | 3 | 2 | 9 | 1.5 | Cn1cc2c(nc(NC(=O)Nc3cccc[n+]3[O-])n3nc(-c4ccco4)nc23)n1 | 10.1021/jm051147+ | ||
| 10687707 | 110330 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 328 | 2 | 0 | 6 | 3.3 | O=c1c(-c2ccco2)nnc2n(-c3ccccc3)c3ccccc3n12 | 10.1021/jm201177b | ||
| CHEMBL324100 | 110330 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 328 | 2 | 0 | 6 | 3.3 | O=c1c(-c2ccco2)nnc2n(-c3ccccc3)c3ccccc3n12 | 10.1021/jm201177b | ||
| 11716665 | 2268 | 37 | None | 1 | 2 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 316 | 4 | 1 | 7 | 3.3 | n1ccc(nc1)c1cnc(nc1c1ccco1)Nc1cccnc1 | 10.1021/jm061333v | ||
| 5617 | 2268 | 37 | None | 1 | 2 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 316 | 4 | 1 | 7 | 3.3 | n1ccc(nc1)c1cnc(nc1c1ccco1)Nc1cccnc1 | 10.1021/jm061333v | ||
| CHEMBL375293 | 2268 | 37 | None | 1 | 2 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 316 | 4 | 1 | 7 | 3.3 | n1ccc(nc1)c1cnc(nc1c1ccco1)Nc1cccnc1 | 10.1021/jm061333v | ||
| 135522362 | 99993 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 472 | 8 | 1 | 10 | 0.3 | CCCn1c(=O)c2nc(-c3cc(OCC(=O)N4CCN(C)CC4)nn3C)[nH]c2n(CCC)c1=O | 10.1021/jm0309654 | ||
| CHEMBL286838 | 99993 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 472 | 8 | 1 | 10 | 0.3 | CCCn1c(=O)c2nc(-c3cc(OCC(=O)N4CCN(C)CC4)nn3C)[nH]c2n(CCC)c1=O | 10.1021/jm0309654 | ||
| 134151346 | 151547 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 275 | 4 | 2 | 7 | 2.8 | CCCNc1nc(N)c2nc(-c3ccco3)sc2n1 | 10.1021/acs.jmedchem.6b01068 | ||
| CHEMBL3963278 | 151547 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 275 | 4 | 2 | 7 | 2.8 | CCCNc1nc(N)c2nc(-c3ccco3)sc2n1 | 10.1021/acs.jmedchem.6b01068 | ||
| 60154742 | 77142 | 0 | None | -39 | 2 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 501 | 4 | 3 | 10 | 2.5 | Cn1cc2c(nc(NC(=O)NC3CCN(C(=O)Nc4ccncc4)CC3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm300323t | ||
| CHEMBL2071050 | 77142 | 0 | None | -39 | 2 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 501 | 4 | 3 | 10 | 2.5 | Cn1cc2c(nc(NC(=O)NC3CCN(C(=O)Nc4ccncc4)CC3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm300323t | ||
| CHEMBL2078766 | 77142 | 0 | None | -39 | 2 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 501 | 4 | 3 | 10 | 2.5 | Cn1cc2c(nc(NC(=O)NC3CCN(C(=O)Nc4ccncc4)CC3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm300323t | ||
| 60154740 | 76960 | 0 | None | -95 | 2 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 544 | 6 | 3 | 10 | 2.8 | COc1ccc(CNC(=O)N2CCC(NC(=O)Nc3nc4nn(C)cc4c4nc(-c5ccco5)nn34)CC2)cc1 | 10.1021/jm300323t | ||
| CHEMBL2071049 | 76960 | 0 | None | -95 | 2 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 544 | 6 | 3 | 10 | 2.8 | COc1ccc(CNC(=O)N2CCC(NC(=O)Nc3nc4nn(C)cc4c4nc(-c5ccco5)nn34)CC2)cc1 | 10.1021/jm300323t | ||
| 57402161 | 69764 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 255 | 1 | 1 | 8 | 0.9 | Cn1cc2nc(N)n3nc(-c4ccco4)nc3c2n1 | 10.1016/j.bmc.2011.11.037 | ||
| CHEMBL1935760 | 69764 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 255 | 1 | 1 | 8 | 0.9 | Cn1cc2nc(N)n3nc(-c4ccco4)nc3c2n1 | 10.1016/j.bmc.2011.11.037 | ||
| 10126989 | 10734 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 417 | 7 | 1 | 6 | 3.7 | COCCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(F)cc3)sc12 | 10.1016/j.bmcl.2010.05.056 | ||
| CHEMBL1171526 | 10734 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 417 | 7 | 1 | 6 | 3.7 | COCCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(F)cc3)sc12 | 10.1016/j.bmcl.2010.05.056 | ||
| 145971923 | 162994 | 0 | None | -1 | 2 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 324 | 4 | 2 | 8 | 2.9 | Nc1nc(NCc2ccncc2)nc2sc(-c3ccco3)nc12 | 10.1016/j.ejmech.2018.06.020 | ||
| CHEMBL4175676 | 162994 | 0 | None | -1 | 2 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 324 | 4 | 2 | 8 | 2.9 | Nc1nc(NCc2ccncc2)nc2sc(-c3ccco3)nc12 | 10.1016/j.ejmech.2018.06.020 | ||
| 118708236 | 113339 | 0 | None | -138 | 2 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 359 | 6 | 1 | 6 | 3.6 | COc1cccc(CCCc2nc(N)c3nn(-c4ccccc4)cc3n2)c1 | 10.1016/j.ejmech.2014.07.060 | ||
| CHEMBL3317576 | 113339 | 0 | None | -138 | 2 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 359 | 6 | 1 | 6 | 3.6 | COc1cccc(CCCc2nc(N)c3nn(-c4ccccc4)cc3n2)c1 | 10.1016/j.ejmech.2014.07.060 | ||
| 156017042 | 177734 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 450 | 5 | 1 | 10 | 3.4 | CCOC(=O)c1ccc(N2CCN(c3nc(N)c4nc(-c5ccco5)sc4n3)CC2)cc1 | 10.1016/j.bmcl.2020.127067 | ||
| CHEMBL4642713 | 177734 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 450 | 5 | 1 | 10 | 3.4 | CCOC(=O)c1ccc(N2CCN(c3nc(N)c4nc(-c5ccco5)sc4n3)CC2)cc1 | 10.1016/j.bmcl.2020.127067 | ||
| 156010442 | 177019 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 416 | 6 | 3 | 9 | 2.2 | Nc1nc(NCCc2ccc(S(N)(=O)=O)cc2)nc2sc(-c3ccco3)nc12 | 10.1016/j.bmcl.2020.127067 | ||
| CHEMBL4632532 | 177019 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 416 | 6 | 3 | 9 | 2.2 | Nc1nc(NCCc2ccc(S(N)(=O)=O)cc2)nc2sc(-c3ccco3)nc12 | 10.1016/j.bmcl.2020.127067 | ||
| 11716665 | 2268 | 37 | None | -1 | 2 | Mouse | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 316 | 4 | 1 | 7 | 3.3 | n1ccc(nc1)c1cnc(nc1c1ccco1)Nc1cccnc1 | 10.1021/jm061333v | ||
| 5617 | 2268 | 37 | None | -1 | 2 | Mouse | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 316 | 4 | 1 | 7 | 3.3 | n1ccc(nc1)c1cnc(nc1c1ccco1)Nc1cccnc1 | 10.1021/jm061333v | ||
| CHEMBL375293 | 2268 | 37 | None | -1 | 2 | Mouse | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 316 | 4 | 1 | 7 | 3.3 | n1ccc(nc1)c1cnc(nc1c1ccco1)Nc1cccnc1 | 10.1021/jm061333v | ||
| 49797793 | 10822 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 427 | 6 | 1 | 7 | 3.7 | CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(C(=O)OC)cc3)sc12 | 10.1016/j.bmcl.2010.05.056 | ||
| CHEMBL1172274 | 10822 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 427 | 6 | 1 | 7 | 3.7 | CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(C(=O)OC)cc3)sc12 | 10.1016/j.bmcl.2010.05.056 | ||
| 136042329 | 71126 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 534 | 10 | 2 | 11 | 2.7 | CCCn1c(=O)c2[nH]c(-c3cc(OCc4nc5cc(C(=O)OCC)ccc5[nH]4)nn3C)nc2n(CCC)c1=O | 10.1021/jm201292w | ||
| CHEMBL1955904 | 71126 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 534 | 10 | 2 | 11 | 2.7 | CCCn1c(=O)c2[nH]c(-c3cc(OCc4nc5cc(C(=O)OCC)ccc5[nH]4)nn3C)nc2n(CCC)c1=O | 10.1021/jm201292w | ||
| 22283414 | 10631 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 359 | 4 | 2 | 5 | 3.7 | COc1ccc(NC(C)=O)c2sc(NC(=O)c3ccc(F)cc3)nc12 | 10.1016/j.bmcl.2010.05.056 | ||
| CHEMBL1170518 | 10631 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 359 | 4 | 2 | 5 | 3.7 | COc1ccc(NC(C)=O)c2sc(NC(=O)c3ccc(F)cc3)nc12 | 10.1016/j.bmcl.2010.05.056 | ||
| 49797825 | 10634 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 430 | 6 | 2 | 6 | 2.8 | CNC(=O)CN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(F)cc3)sc12 | 10.1016/j.bmcl.2010.05.056 | ||
| CHEMBL1170525 | 10634 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 430 | 6 | 2 | 6 | 2.8 | CNC(=O)CN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(F)cc3)sc12 | 10.1016/j.bmcl.2010.05.056 | ||
| 22283414 | 10631 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 359 | 4 | 2 | 5 | 3.7 | COc1ccc(NC(C)=O)c2sc(NC(=O)c3ccc(F)cc3)nc12 | 10.1016/j.bmcl.2011.02.053 | ||
| CHEMBL1170518 | 10631 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 359 | 4 | 2 | 5 | 3.7 | COc1ccc(NC(C)=O)c2sc(NC(=O)c3ccc(F)cc3)nc12 | 10.1016/j.bmcl.2011.02.053 | ||
| 145961997 | 161531 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 301 | 4 | 2 | 7 | 2.6 | COc1cccc(CNc2nc(N)c3nc(C)sc3n2)c1 | 10.1016/j.bmc.2018.05.048 | ||
| CHEMBL4128787 | 161531 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 301 | 4 | 2 | 7 | 2.6 | COc1cccc(CNc2nc(N)c3nc(C)sc3n2)c1 | 10.1016/j.bmc.2018.05.048 | ||
| 127045699 | 139610 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 323 | 3 | 1 | 6 | 3.2 | Cc1ccc(-c2nc(N)c3nn(Cc4ccccc4F)cc3n2)o1 | 10.1016/j.bmc.2016.04.048 | ||
| CHEMBL3797666 | 139610 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 323 | 3 | 1 | 6 | 3.2 | Cc1ccc(-c2nc(N)c3nn(Cc4ccccc4F)cc3n2)o1 | 10.1016/j.bmc.2016.04.048 | ||
| 145963230 | 161483 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 333 | 4 | 2 | 6 | 3.9 | Nc1nc(NCc2ccccc2)nc2sc(-c3ccccc3)nc12 | 10.1016/j.bmc.2018.05.048 | ||
| CHEMBL4128138 | 161483 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 333 | 4 | 2 | 6 | 3.9 | Nc1nc(NCc2ccccc2)nc2sc(-c3ccccc3)nc12 | 10.1016/j.bmc.2018.05.048 | ||
| 49797795 | 10584 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 447 | 6 | 1 | 7 | 3.3 | CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(S(C)(=O)=O)cc3)sc12 | 10.1016/j.bmcl.2010.05.056 | ||
| CHEMBL1170129 | 10584 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 447 | 6 | 1 | 7 | 3.3 | CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(S(C)(=O)=O)cc3)sc12 | 10.1016/j.bmcl.2010.05.056 | ||
| 25230951 | 150275 | 0 | None | 5 | 4 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 380 | 6 | 1 | 7 | 4.6 | CCc1cc2nc(NCc3cccnc3)nc(C(=O)c3cccs3)c2s1 | nan | ||
| CHEMBL3952824 | 150275 | 0 | None | 5 | 4 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 380 | 6 | 1 | 7 | 4.6 | CCc1cc2nc(NCc3cccnc3)nc(C(=O)c3cccs3)c2s1 | nan | ||
| 45481750 | 198541 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 449 | 5 | 1 | 8 | 4.0 | Cn1cc2c(nc(NC(=O)C(c3ccccc3)c3ccccc3)n3nc(-c4ccco4)nc23)n1 | 10.1016/j.bmc.2009.05.038 | ||
| CHEMBL578224 | 198541 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 449 | 5 | 1 | 8 | 4.0 | Cn1cc2c(nc(NC(=O)C(c3ccccc3)c3ccccc3)n3nc(-c4ccco4)nc23)n1 | 10.1016/j.bmc.2009.05.038 | ||
| 46882996 | 5607 | 0 | None | 1 | 2 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 288 | 3 | 0 | 5 | 3.9 | CCc1nc(C(=O)c2ccc(C)s2)c2sccc2n1 | 10.1016/j.bmcl.2009.08.040 | ||
| CHEMBL1077750 | 5607 | 0 | None | 1 | 2 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 288 | 3 | 0 | 5 | 3.9 | CCc1nc(C(=O)c2ccc(C)s2)c2sccc2n1 | 10.1016/j.bmcl.2009.08.040 | ||
| 49797774 | 10590 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 462 | 7 | 2 | 7 | 3.3 | CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(NS(C)(=O)=O)cc3)sc12 | 10.1016/j.bmcl.2010.05.056 | ||
| CHEMBL1170137 | 10590 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 462 | 7 | 2 | 7 | 3.3 | CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(NS(C)(=O)=O)cc3)sc12 | 10.1016/j.bmcl.2010.05.056 | ||
| 145961339 | 161541 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 257 | 2 | 2 | 6 | 2.7 | Cc1nc2c(N)nc(Nc3ccccc3)nc2s1 | 10.1016/j.bmc.2018.05.048 | ||
| CHEMBL4128862 | 161541 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 257 | 2 | 2 | 6 | 2.7 | Cc1nc2c(N)nc(Nc3ccccc3)nc2s1 | 10.1016/j.bmc.2018.05.048 | ||
| 49798139 | 10640 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 495 | 6 | 1 | 7 | 3.3 | CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(C(=O)N4CCN(C)CC4)cc3)sc12 | 10.1016/j.bmcl.2010.05.056 | ||
| CHEMBL1170583 | 10640 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 495 | 6 | 1 | 7 | 3.3 | CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(C(=O)N4CCN(C)CC4)cc3)sc12 | 10.1016/j.bmcl.2010.05.056 | ||
| 135484064 | 2598 | 4 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 509 | 9 | 2 | 11 | 1.9 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1cc(nn1C)OCC(=O)Nc1ccc2c(c1)OCO2 | 10.1021/jm201292w | ||
| 390 | 2598 | 4 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 509 | 9 | 2 | 11 | 1.9 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1cc(nn1C)OCC(=O)Nc1ccc2c(c1)OCO2 | 10.1021/jm201292w | ||
| CHEMBL260331 | 2598 | 4 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 509 | 9 | 2 | 11 | 1.9 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1cc(nn1C)OCC(=O)Nc1ccc2c(c1)OCO2 | 10.1021/jm201292w | ||
| 136042353 | 71124 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 530 | 8 | 2 | 9 | 3.6 | CCCn1c(=O)c2[nH]c(-c3cc(OCc4nc5cc(C(F)(F)F)ccc5[nH]4)nn3C)nc2n(CCC)c1=O | 10.1021/jm201292w | ||
| CHEMBL1955902 | 71124 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 530 | 8 | 2 | 9 | 3.6 | CCCn1c(=O)c2[nH]c(-c3cc(OCc4nc5cc(C(F)(F)F)ccc5[nH]4)nn3C)nc2n(CCC)c1=O | 10.1021/jm201292w | ||
| 135484064 | 2598 | 4 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 509 | 9 | 2 | 11 | 1.9 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1cc(nn1C)OCC(=O)Nc1ccc2c(c1)OCO2 | 10.1021/jm0309654 | ||
| 390 | 2598 | 4 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 509 | 9 | 2 | 11 | 1.9 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1cc(nn1C)OCC(=O)Nc1ccc2c(c1)OCO2 | 10.1021/jm0309654 | ||
| CHEMBL260331 | 2598 | 4 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 509 | 9 | 2 | 11 | 1.9 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1cc(nn1C)OCC(=O)Nc1ccc2c(c1)OCO2 | 10.1021/jm0309654 | ||
| 118708235 | 113338 | 0 | None | -32 | 2 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 359 | 6 | 1 | 6 | 3.6 | COc1ccccc1CCCc1nc(N)c2nn(-c3ccccc3)cc2n1 | 10.1016/j.ejmech.2014.07.060 | ||
| CHEMBL3317575 | 113338 | 0 | None | -32 | 2 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 359 | 6 | 1 | 6 | 3.6 | COc1ccccc1CCCc1nc(N)c2nn(-c3ccccc3)cc2n1 | 10.1016/j.ejmech.2014.07.060 | ||
| 134149255 | 148140 | 0 | None | -16 | 2 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 337 | 5 | 2 | 7 | 3.6 | Nc1nc(NCCc2ccccc2)nc2sc(-c3ccco3)nc12 | 10.1021/acs.jmedchem.6b01068 | ||
| CHEMBL3935610 | 148140 | 0 | None | -16 | 2 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 337 | 5 | 2 | 7 | 3.6 | Nc1nc(NCCc2ccccc2)nc2sc(-c3ccco3)nc12 | 10.1021/acs.jmedchem.6b01068 | ||
| 145954398 | 162571 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 367 | 5 | 2 | 8 | 3.9 | COc1ccccc1CNc1nc(N)c2nc(-c3ccc(C)o3)sc2n1 | 10.1016/j.ejmech.2018.06.020 | ||
| CHEMBL4168980 | 162571 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 367 | 5 | 2 | 8 | 3.9 | COc1ccccc1CNc1nc(N)c2nc(-c3ccc(C)o3)sc2n1 | 10.1016/j.ejmech.2018.06.020 | ||
| 25230881 | 6145 | 0 | None | 1 | 4 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 395 | 6 | 1 | 8 | 4.1 | CN(C)c1cc2nc(NCc3cccnc3)nc(C(=O)c3cccs3)c2s1 | 10.1016/j.bmcl.2009.08.040 | ||
| CHEMBL1081160 | 6145 | 0 | None | 1 | 4 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 395 | 6 | 1 | 8 | 4.1 | CN(C)c1cc2nc(NCc3cccnc3)nc(C(=O)c3cccs3)c2s1 | 10.1016/j.bmcl.2009.08.040 | ||
| 127045909 | 139963 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 321 | 3 | 2 | 7 | 2.7 | Cc1ccc(-c2nc(N)c3nn(Cc4ccccc4O)cc3n2)o1 | 10.1016/j.bmc.2016.04.048 | ||
| CHEMBL3799921 | 139963 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 321 | 3 | 2 | 7 | 2.7 | Cc1ccc(-c2nc(N)c3nn(Cc4ccccc4O)cc3n2)o1 | 10.1016/j.bmc.2016.04.048 | ||
| 156821369 | 185599 | 2 | None | -14 | 2 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 447 | 4 | 2 | 7 | 3.5 | Nc1nc(-c2ccccc2)c(-c2ccc(=O)[nH]c2)c2nc(Cc3ncc(F)cc3Cl)nn12 | 10.1021/acsmedchemlett.1c00620 | ||
| CHEMBL4864129 | 185599 | 2 | None | -14 | 2 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 447 | 4 | 2 | 7 | 3.5 | Nc1nc(-c2ccccc2)c(-c2ccc(=O)[nH]c2)c2nc(Cc3ncc(F)cc3Cl)nn12 | 10.1021/acsmedchemlett.1c00620 | ||
| 145436763 | 162173 | 0 | None | -13 | 2 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 338 | 5 | 2 | 8 | 3.0 | Nc1nc(NCCc2cccnc2)nc2sc(-c3ccco3)nc12 | 10.1016/j.ejmech.2018.06.020 | ||
| CHEMBL4162638 | 162173 | 0 | None | -13 | 2 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 338 | 5 | 2 | 8 | 3.0 | Nc1nc(NCCc2cccnc2)nc2sc(-c3ccco3)nc12 | 10.1016/j.ejmech.2018.06.020 | ||
| 44186579 | 191760 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 494 | 6 | 2 | 7 | 1.6 | CCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccccc5)CC4)cc3)[nH]c2c1=O | 10.1021/jm900413e | ||
| CHEMBL519813 | 191760 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 494 | 6 | 2 | 7 | 1.6 | CCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccccc5)CC4)cc3)[nH]c2c1=O | 10.1021/jm900413e | ||
| 57400352 | 69757 | 0 | None | 12 | 2 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 283 | 3 | 1 | 8 | 1.7 | CCCn1ncc2nc(N)n3nc(-c4ccco4)nc3c21 | 10.1016/j.bmc.2011.11.037 | ||
| CHEMBL1935753 | 69757 | 0 | None | 12 | 2 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 283 | 3 | 1 | 8 | 1.7 | CCCn1ncc2nc(N)n3nc(-c4ccco4)nc3c21 | 10.1016/j.bmc.2011.11.037 | ||
| 49797855 | 10818 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 441 | 5 | 1 | 5 | 4.6 | COc1ccc(N(CC(F)(F)F)C(C)=O)c2sc(NC(=O)c3ccc(F)cc3)nc12 | 10.1016/j.bmcl.2010.05.056 | ||
| CHEMBL1172269 | 10818 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 441 | 5 | 1 | 5 | 4.6 | COc1ccc(N(CC(F)(F)F)C(C)=O)c2sc(NC(=O)c3ccc(F)cc3)nc12 | 10.1016/j.bmcl.2010.05.056 | ||
| 135522368 | 491 | 1 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 493 | 9 | 2 | 9 | 2.7 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1cc(nn1C)OCC(=O)Nc1ccc(c(c1)C)C | 10.1021/jm0309654 | ||
| 383 | 491 | 1 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 493 | 9 | 2 | 9 | 2.7 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1cc(nn1C)OCC(=O)Nc1ccc(c(c1)C)C | 10.1021/jm0309654 | ||
| CHEMBL33491 | 491 | 1 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 493 | 9 | 2 | 9 | 2.7 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1cc(nn1C)OCC(=O)Nc1ccc(c(c1)C)C | 10.1021/jm0309654 | ||
| 11371101 | 67537 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 336 | 4 | 0 | 6 | 2.2 | CCCn1c(=O)c2c(nc3n2CC(C)=C3)n(Cc2ccccc2)c1=O | 10.1016/j.bmc.2008.10.049 | ||
| CHEMBL189904 | 67537 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 336 | 4 | 0 | 6 | 2.2 | CCCn1c(=O)c2c(nc3n2CC(C)=C3)n(Cc2ccccc2)c1=O | 10.1016/j.bmc.2008.10.049 | ||
| 11371101 | 67537 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 336 | 4 | 0 | 6 | 2.2 | CCCn1c(=O)c2c(nc3n2CC(C)=C3)n(Cc2ccccc2)c1=O | 10.1021/jm058008c | ||
| CHEMBL189904 | 67537 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 336 | 4 | 0 | 6 | 2.2 | CCCn1c(=O)c2c(nc3n2CC(C)=C3)n(Cc2ccccc2)c1=O | 10.1021/jm058008c | ||
| 145961748 | 161487 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 365 | 5 | 2 | 9 | 2.7 | COc1ccccc1CNc1nc(N)c2nc(-c3cnccn3)sc2n1 | 10.1016/j.bmc.2018.05.048 | ||
| CHEMBL4128190 | 161487 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 365 | 5 | 2 | 9 | 2.7 | COc1ccccc1CNc1nc(N)c2nc(-c3cnccn3)sc2n1 | 10.1016/j.bmc.2018.05.048 | ||
| 54586036 | 60694 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 534 | 6 | 1 | 6 | 4.8 | CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)[C@H]3CCN(C(=O)c4cccc(C(F)(F)F)c4)C3)sc12 | 10.1016/j.bmcl.2011.02.053 | ||
| CHEMBL1760887 | 60694 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 534 | 6 | 1 | 6 | 4.8 | CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)[C@H]3CCN(C(=O)c4cccc(C(F)(F)F)c4)C3)sc12 | 10.1016/j.bmcl.2011.02.053 | ||
| 10761800 | 188195 | 0 | None | -5 | 2 | Rat | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 372 | 1 | 2 | 7 | 2.5 | Cn1c(-c2cccc(C#N)c2)nc2c(N)nc(C#CC3(O)CCCCC3)nc21 | 10.1021/jm990499b | ||
| CHEMBL49925 | 188195 | 0 | None | -5 | 2 | Rat | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 372 | 1 | 2 | 7 | 2.5 | Cn1c(-c2cccc(C#N)c2)nc2c(N)nc(C#CC3(O)CCCCC3)nc21 | 10.1021/jm990499b | ||
| 46883041 | 5701 | 0 | None | 2 | 2 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 379 | 5 | 1 | 6 | 5.5 | Cc1ccc(C(=O)c2nc(NC(C)c3ccccc3)nc3ccsc23)s1 | 10.1016/j.bmcl.2009.08.040 | ||
| CHEMBL1078347 | 5701 | 0 | None | 2 | 2 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 379 | 5 | 1 | 6 | 5.5 | Cc1ccc(C(=O)c2nc(NC(C)c3ccccc3)nc3ccsc23)s1 | 10.1016/j.bmcl.2009.08.040 | ||
| 46883074 | 5673 | 0 | None | -1 | 2 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 380 | 5 | 0 | 7 | 4.3 | Cc1ccc(C(=O)c2nc(N(C)Cc3cccnc3)nc3ccsc23)s1 | 10.1016/j.bmcl.2009.08.040 | ||
| CHEMBL1078087 | 5673 | 0 | None | -1 | 2 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 380 | 5 | 0 | 7 | 4.3 | Cc1ccc(C(=O)c2nc(N(C)Cc3cccnc3)nc3ccsc23)s1 | 10.1016/j.bmcl.2009.08.040 | ||
| 57402117 | 69746 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 254 | 1 | 1 | 7 | 1.5 | Cn1cc2nc(N)n3nc(-c4ccco4)nc3c2c1 | 10.1016/j.bmc.2011.11.037 | ||
| CHEMBL1935743 | 69746 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 254 | 1 | 1 | 7 | 1.5 | Cn1cc2nc(N)n3nc(-c4ccco4)nc3c2c1 | 10.1016/j.bmc.2011.11.037 | ||
| 49797852 | 10732 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 417 | 7 | 2 | 6 | 3.4 | COc1ccc(N(CCCO)C(C)=O)c2sc(NC(=O)c3ccc(F)cc3)nc12 | 10.1016/j.bmcl.2010.05.056 | ||
| CHEMBL1171524 | 10732 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 417 | 7 | 2 | 6 | 3.4 | COc1ccc(N(CCCO)C(C)=O)c2sc(NC(=O)c3ccc(F)cc3)nc12 | 10.1016/j.bmcl.2010.05.056 | ||
| 54587015 | 60692 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 570 | 7 | 1 | 7 | 4.3 | CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)[C@@H]3CCN(S(=O)(=O)c4cccc(C(F)(F)F)c4)C3)sc12 | 10.1016/j.bmcl.2011.02.053 | ||
| CHEMBL1760885 | 60692 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 570 | 7 | 1 | 7 | 4.3 | CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)[C@@H]3CCN(S(=O)(=O)c4cccc(C(F)(F)F)c4)C3)sc12 | 10.1016/j.bmcl.2011.02.053 | ||
| 71601632 | 86895 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 301 | 3 | 1 | 5 | 3.0 | Nc1nc(Cc2ccccc2)nc2cn(-c3ccccc3)nc12 | 10.1016/j.ejmech.2015.11.015 | ||
| CHEMBL2322918 | 86895 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 301 | 3 | 1 | 5 | 3.0 | Nc1nc(Cc2ccccc2)nc2cn(-c3ccccc3)nc12 | 10.1016/j.ejmech.2015.11.015 | ||
| 71601632 | 86895 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 301 | 3 | 1 | 5 | 3.0 | Nc1nc(Cc2ccccc2)nc2cn(-c3ccccc3)nc12 | 10.1016/j.bmc.2016.04.048 | ||
| CHEMBL2322918 | 86895 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 301 | 3 | 1 | 5 | 3.0 | Nc1nc(Cc2ccccc2)nc2cn(-c3ccccc3)nc12 | 10.1016/j.bmc.2016.04.048 | ||
| 71601632 | 86895 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 301 | 3 | 1 | 5 | 3.0 | Nc1nc(Cc2ccccc2)nc2cn(-c3ccccc3)nc12 | 10.1016/j.ejmech.2014.07.060 | ||
| CHEMBL2322918 | 86895 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 301 | 3 | 1 | 5 | 3.0 | Nc1nc(Cc2ccccc2)nc2cn(-c3ccccc3)nc12 | 10.1016/j.ejmech.2014.07.060 | ||
| 9841364 | 101430 | 1 | None | -6 | 2 | Rat | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 351 | 1 | 2 | 6 | 2.4 | Cn1c(-c2cccc(F)c2)nc2c(N)nc(C#CC3(O)CCCC3)nc21 | 10.1021/jm990499b | ||
| CHEMBL297685 | 101430 | 1 | None | -6 | 2 | Rat | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 351 | 1 | 2 | 6 | 2.4 | Cn1c(-c2cccc(F)c2)nc2c(N)nc(C#CC3(O)CCCC3)nc21 | 10.1021/jm990499b | ||
| 127045700 | 139697 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 323 | 3 | 1 | 6 | 3.2 | Cc1ccc(-c2nc(N)c3nn(Cc4cccc(F)c4)cc3n2)o1 | 10.1016/j.bmc.2016.04.048 | ||
| CHEMBL3798214 | 139697 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 323 | 3 | 1 | 6 | 3.2 | Cc1ccc(-c2nc(N)c3nn(Cc4cccc(F)c4)cc3n2)o1 | 10.1016/j.bmc.2016.04.048 | ||
| 1329 | 1460 | 86 | None | -9 | 8 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 304 | 5 | 1 | 5 | 2.4 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C1CCCC1 | 10.1021/acs.jmedchem.9b00106 | ||
| 386 | 1460 | 86 | None | -9 | 8 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 304 | 5 | 1 | 5 | 2.4 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C1CCCC1 | 10.1021/acs.jmedchem.9b00106 | ||
| CHEMBL183 | 1460 | 86 | None | -9 | 8 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 304 | 5 | 1 | 5 | 2.4 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C1CCCC1 | 10.1021/acs.jmedchem.9b00106 | ||
| DB12946 | 1460 | 86 | None | -9 | 8 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 304 | 5 | 1 | 5 | 2.4 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C1CCCC1 | 10.1021/acs.jmedchem.9b00106 | ||
| 135678052 | 95748 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 483 | 8 | 2 | 8 | 3.2 | CCCn1c(=O)c2[nH]c(-c3cc(C)n(CC(=O)Nc4ccc(Cl)cc4)n3)nc2n(CCC)c1=O | 10.1016/j.bmc.2007.11.058 | ||
| CHEMBL258571 | 95748 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 483 | 8 | 2 | 8 | 3.2 | CCCn1c(=O)c2[nH]c(-c3cc(C)n(CC(=O)Nc4ccc(Cl)cc4)n3)nc2n(CCC)c1=O | 10.1016/j.bmc.2007.11.058 | ||
| 46883042 | 5702 | 0 | None | 4 | 2 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 366 | 5 | 1 | 7 | 4.3 | Cc1ccc(C(=O)c2nc(NCc3ccccn3)nc3ccsc23)s1 | 10.1016/j.bmcl.2009.08.040 | ||
| CHEMBL1078348 | 5702 | 0 | None | 4 | 2 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 366 | 5 | 1 | 7 | 4.3 | Cc1ccc(C(=O)c2nc(NCc3ccccn3)nc3ccsc23)s1 | 10.1016/j.bmcl.2009.08.040 | ||
| 136042347 | 71146 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 482 | 9 | 2 | 8 | 2.9 | CCCn1c(=O)c2[nH]c(-c3cc(OCC(=O)Nc4ccc(F)cc4)nn3C)cc2n(CCC)c1=O | 10.1021/jm201292w | ||
| CHEMBL1955925 | 71146 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 482 | 9 | 2 | 8 | 2.9 | CCCn1c(=O)c2[nH]c(-c3cc(OCC(=O)Nc4ccc(F)cc4)nn3C)cc2n(CCC)c1=O | 10.1021/jm201292w | ||
| 118708234 | 113337 | 0 | None | -10 | 3 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 329 | 5 | 1 | 5 | 3.6 | Nc1nc(CCCc2ccccc2)nc2cn(-c3ccccc3)nc12 | 10.1016/j.ejmech.2014.07.060 | ||
| CHEMBL3317574 | 113337 | 0 | None | -10 | 3 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 329 | 5 | 1 | 5 | 3.6 | Nc1nc(CCCc2ccccc2)nc2cn(-c3ccccc3)nc12 | 10.1016/j.ejmech.2014.07.060 | ||
| 127035626 | 137293 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 426 | 6 | 3 | 8 | 4.0 | O=C(Nc1ccccc1)Nc1nc(NCc2ccccc2)nc2nc(-c3ccco3)nn12 | 10.1016/j.ejmech.2015.12.019 | ||
| CHEMBL3752621 | 137293 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 426 | 6 | 3 | 8 | 4.0 | O=C(Nc1ccccc1)Nc1nc(NCc2ccccc2)nc2nc(-c3ccco3)nn12 | 10.1016/j.ejmech.2015.12.019 | ||
| 145960873 | 161420 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 347 | 5 | 2 | 6 | 4.0 | Nc1nc(NCCc2ccccc2)nc2sc(-c3ccccc3)nc12 | 10.1016/j.bmc.2018.05.048 | ||
| CHEMBL4127351 | 161420 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 347 | 5 | 2 | 6 | 4.0 | Nc1nc(NCCc2ccccc2)nc2sc(-c3ccccc3)nc12 | 10.1016/j.bmc.2018.05.048 | ||
| 54580150 | 60700 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 534 | 7 | 1 | 6 | 5.5 | CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)C3CCN(Cc4cccc(C(F)(F)F)c4)CC3)sc12 | 10.1016/j.bmcl.2011.02.053 | ||
| CHEMBL1760894 | 60700 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 534 | 7 | 1 | 6 | 5.5 | CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)C3CCN(Cc4cccc(C(F)(F)F)c4)CC3)sc12 | 10.1016/j.bmcl.2011.02.053 | ||
| 71601631 | 86894 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 287 | 2 | 1 | 5 | 3.1 | Nc1nc(-c2ccccc2)nc2cn(-c3ccccc3)nc12 | 10.1016/j.ejmech.2015.11.015 | ||
| CHEMBL2322917 | 86894 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 287 | 2 | 1 | 5 | 3.1 | Nc1nc(-c2ccccc2)nc2cn(-c3ccccc3)nc12 | 10.1016/j.ejmech.2015.11.015 | ||
| 71601631 | 86894 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 287 | 2 | 1 | 5 | 3.1 | Nc1nc(-c2ccccc2)nc2cn(-c3ccccc3)nc12 | 10.1016/j.bmc.2016.04.048 | ||
| CHEMBL2322917 | 86894 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 287 | 2 | 1 | 5 | 3.1 | Nc1nc(-c2ccccc2)nc2cn(-c3ccccc3)nc12 | 10.1016/j.bmc.2016.04.048 | ||
| 71601631 | 86894 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 287 | 2 | 1 | 5 | 3.1 | Nc1nc(-c2ccccc2)nc2cn(-c3ccccc3)nc12 | 10.1016/j.ejmech.2014.07.060 | ||
| CHEMBL2322917 | 86894 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 287 | 2 | 1 | 5 | 3.1 | Nc1nc(-c2ccccc2)nc2cn(-c3ccccc3)nc12 | 10.1016/j.ejmech.2014.07.060 | ||
| 10691124 | 101254 | 0 | None | -8 | 2 | Rat | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 379 | 1 | 2 | 6 | 3.2 | Cn1c(-c2cccc(F)c2)nc2c(N)nc(C#CC3(O)CCCCCC3)nc21 | 10.1021/jm990499b | ||
| CHEMBL296389 | 101254 | 0 | None | -8 | 2 | Rat | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 379 | 1 | 2 | 6 | 3.2 | Cn1c(-c2cccc(F)c2)nc2c(N)nc(C#CC3(O)CCCCCC3)nc21 | 10.1021/jm990499b | ||
| 10618828 | 101961 | 0 | None | -5 | 2 | Rat | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 365 | 1 | 2 | 6 | 2.8 | Cn1c(-c2ccccc2F)nc2c(N)nc(C#CC3(O)CCCCC3)nc21 | 10.1021/jm990499b | ||
| CHEMBL301512 | 101961 | 0 | None | -5 | 2 | Rat | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 365 | 1 | 2 | 6 | 2.8 | Cn1c(-c2ccccc2F)nc2c(N)nc(C#CC3(O)CCCCC3)nc21 | 10.1021/jm990499b | ||
| 10754589 | 193296 | 0 | None | - | 1 | Rat | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 271 | 0 | 2 | 6 | 1.0 | Cn1cnc2c(N)nc(C#CC3(O)CCCCC3)nc21 | 10.1021/jm990499b | ||
| CHEMBL52432 | 193296 | 0 | None | - | 1 | Rat | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 271 | 0 | 2 | 6 | 1.0 | Cn1cnc2c(N)nc(C#CC3(O)CCCCC3)nc21 | 10.1021/jm990499b | ||
| 57396936 | 69765 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 283 | 3 | 1 | 8 | 1.7 | CCCn1cc2nc(N)n3nc(-c4ccco4)nc3c2n1 | 10.1016/j.bmc.2011.11.037 | ||
| CHEMBL1935761 | 69765 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 283 | 3 | 1 | 8 | 1.7 | CCCn1cc2nc(N)n3nc(-c4ccco4)nc3c2n1 | 10.1016/j.bmc.2011.11.037 | ||
| 136042354 | 71125 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 476 | 8 | 2 | 9 | 2.9 | CCCn1c(=O)c2[nH]c(-c3cc(OCc4nc5cc(C)ccc5[nH]4)nn3C)nc2n(CCC)c1=O | 10.1021/jm201292w | ||
| CHEMBL1955903 | 71125 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 476 | 8 | 2 | 9 | 2.9 | CCCn1c(=O)c2[nH]c(-c3cc(OCc4nc5cc(C)ccc5[nH]4)nn3C)nc2n(CCC)c1=O | 10.1021/jm201292w | ||
| 46883073 | 5672 | 0 | None | -2 | 2 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 380 | 6 | 1 | 7 | 4.3 | Cc1ccc(C(=O)c2nc(NCCc3cccnc3)nc3ccsc23)s1 | 10.1016/j.bmcl.2009.08.040 | ||
| CHEMBL1078086 | 5672 | 0 | None | -2 | 2 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 380 | 6 | 1 | 7 | 4.3 | Cc1ccc(C(=O)c2nc(NCCc3cccnc3)nc3ccsc23)s1 | 10.1016/j.bmcl.2009.08.040 | ||
| 132991406 | 144188 | 0 | None | -4786 | 2 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 353 | 5 | 2 | 8 | 3.5 | COc1cccc(CNc2nc(N)c3nc(-c4ccco4)sc3n2)c1 | 10.1021/acs.jmedchem.6b01068 | ||
| CHEMBL3904408 | 144188 | 0 | None | -4786 | 2 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 353 | 5 | 2 | 8 | 3.5 | COc1cccc(CNc2nc(N)c3nc(-c4ccco4)sc3n2)c1 | 10.1021/acs.jmedchem.6b01068 | ||
| 145958464 | 162135 | 0 | None | -1174 | 2 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 369 | 5 | 2 | 8 | 4.0 | COc1ccccc1CNc1nc(N)c2nc(-c3cccs3)sc2n1 | 10.1016/j.ejmech.2018.06.020 | ||
| CHEMBL4162037 | 162135 | 0 | None | -1174 | 2 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 369 | 5 | 2 | 8 | 4.0 | COc1ccccc1CNc1nc(N)c2nc(-c3cccs3)sc2n1 | 10.1016/j.ejmech.2018.06.020 | ||
| 57396888 | 69748 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 344 | 4 | 1 | 7 | 3.2 | Nc1nc2cn(CCc3ccccc3)cc2c2nc(-c3ccco3)nn12 | 10.1016/j.bmc.2011.11.037 | ||
| CHEMBL1935745 | 69748 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 344 | 4 | 1 | 7 | 3.2 | Nc1nc2cn(CCc3ccccc3)cc2c2nc(-c3ccco3)nn12 | 10.1016/j.bmc.2011.11.037 | ||
| 135522375 | 114230 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 525 | 11 | 2 | 11 | 2.1 | CCCn1c(=O)c2nc(-c3cc(OCC(=O)Nc4ccc(OC)c(OC)c4)nn3C)[nH]c2n(CCC)c1=O | 10.1021/jm0309654 | ||
| CHEMBL33305 | 114230 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 525 | 11 | 2 | 11 | 2.1 | CCCn1c(=O)c2nc(-c3cc(OCC(=O)Nc4ccc(OC)c(OC)c4)nn3C)[nH]c2n(CCC)c1=O | 10.1021/jm0309654 | ||
| 46883109 | 5802 | 0 | None | 2 | 2 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 350 | 5 | 1 | 7 | 3.8 | Cc1ccc(C(=O)c2nc(NCc3cccnc3)nc3ccsc23)o1 | 10.1016/j.bmcl.2009.08.040 | ||
| CHEMBL1079117 | 5802 | 0 | None | 2 | 2 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 350 | 5 | 1 | 7 | 3.8 | Cc1ccc(C(=O)c2nc(NCc3cccnc3)nc3ccsc23)o1 | 10.1016/j.bmcl.2009.08.040 | ||
| 134132667 | 144558 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 367 | 6 | 2 | 8 | 3.6 | COc1cccc(CCNc2nc(N)c3nc(-c4ccco4)sc3n2)c1 | 10.1021/acs.jmedchem.6b01068 | ||
| CHEMBL3907658 | 144558 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 367 | 6 | 2 | 8 | 3.6 | COc1cccc(CCNc2nc(N)c3nc(-c4ccco4)sc3n2)c1 | 10.1021/acs.jmedchem.6b01068 | ||
| 10175278 | 170360 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 588 | 9 | 2 | 8 | 3.4 | CCCn1c(=O)c2nc(-c3ccc(OCC(=O)Nc4ccc(I)cc4)nc3)[nH]c2n(CCC)c1=O | 10.1021/jm0309654 | ||
| CHEMBL444787 | 170360 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 588 | 9 | 2 | 8 | 3.4 | CCCn1c(=O)c2nc(-c3ccc(OCC(=O)Nc4ccc(I)cc4)nc3)[nH]c2n(CCC)c1=O | 10.1021/jm0309654 | ||
| CHEMBL5075422 | 214349 | 3 | None | -83 | 4 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | None | None | None | Cn1cc(-c2cnc(N)n3nc(-c4ccco4)nc23)ccc1=O | 10.1021/acsmedchemlett.1c00599 | ||||
| 176407 | 4117 | 84 | None | -13 | 2 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 337 | 5 | 3 | 9 | 1.7 | Oc1ccc(cc1)CCNc1nc(N)n2c(n1)nc(n2)c1ccco1 | 10.1021/acs.jmedchem.6b01068 | ||
| 405 | 4117 | 84 | None | -13 | 2 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 337 | 5 | 3 | 9 | 1.7 | Oc1ccc(cc1)CCNc1nc(N)n2c(n1)nc(n2)c1ccco1 | 10.1021/acs.jmedchem.6b01068 | ||
| CHEMBL113142 | 4117 | 84 | None | -13 | 2 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 337 | 5 | 3 | 9 | 1.7 | Oc1ccc(cc1)CCNc1nc(N)n2c(n1)nc(n2)c1ccco1 | 10.1021/acs.jmedchem.6b01068 | ||
| DB08770 | 4117 | 84 | None | -13 | 2 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 337 | 5 | 3 | 9 | 1.7 | Oc1ccc(cc1)CCNc1nc(N)n2c(n1)nc(n2)c1ccco1 | 10.1021/acs.jmedchem.6b01068 | ||
| 134132684 | 144695 | 0 | None | -20 | 2 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 353 | 5 | 3 | 8 | 3.3 | Nc1nc(NCCc2ccc(O)cc2)nc2sc(-c3ccco3)nc12 | 10.1021/acs.jmedchem.6b01068 | ||
| CHEMBL3908770 | 144695 | 0 | None | -20 | 2 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 353 | 5 | 3 | 8 | 3.3 | Nc1nc(NCCc2ccc(O)cc2)nc2sc(-c3ccco3)nc12 | 10.1021/acs.jmedchem.6b01068 | ||
| 46883108 | 5801 | 0 | None | 3 | 2 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 386 | 5 | 1 | 7 | 4.6 | O=C(c1ccc(Cl)s1)c1nc(NCc2cccnc2)nc2ccsc12 | 10.1016/j.bmcl.2009.08.040 | ||
| CHEMBL1079116 | 5801 | 0 | None | 3 | 2 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 386 | 5 | 1 | 7 | 4.6 | O=C(c1ccc(Cl)s1)c1nc(NCc2cccnc2)nc2ccsc12 | 10.1016/j.bmcl.2009.08.040 | ||
| 54584125 | 60699 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 584 | 7 | 1 | 7 | 4.7 | CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)C3CCN(S(=O)(=O)c4cccc(C(F)(F)F)c4)CC3)sc12 | 10.1016/j.bmcl.2011.02.053 | ||
| CHEMBL1760893 | 60699 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 584 | 7 | 1 | 7 | 4.7 | CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)C3CCN(S(=O)(=O)c4cccc(C(F)(F)F)c4)CC3)sc12 | 10.1016/j.bmcl.2011.02.053 | ||
| 10691124 | 101254 | 0 | None | 8 | 2 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 379 | 1 | 2 | 6 | 3.2 | Cn1c(-c2cccc(F)c2)nc2c(N)nc(C#CC3(O)CCCCCC3)nc21 | 10.1021/jm990499b | ||
| CHEMBL296389 | 101254 | 0 | None | 8 | 2 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 379 | 1 | 2 | 6 | 3.2 | Cn1c(-c2cccc(F)c2)nc2c(N)nc(C#CC3(O)CCCCCC3)nc21 | 10.1021/jm990499b | ||
| 46237928 | 8777 | 0 | None | -42 | 2 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 329 | 3 | 1 | 5 | 3.3 | Cn1cc2c(NC(=O)c3ccccc3)nc(-c3ccccc3)nc2n1 | 10.1021/jm901785w | ||
| CHEMBL1096754 | 8777 | 0 | None | -42 | 2 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 329 | 3 | 1 | 5 | 3.3 | Cn1cc2c(NC(=O)c3ccccc3)nc(-c3ccccc3)nc2n1 | 10.1021/jm901785w | ||
| 10762430 | 189136 | 0 | None | - | 1 | Rat | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 381 | 1 | 2 | 6 | 3.3 | Cn1c(-c2cccc(Cl)c2)nc2c(N)nc(C#CC3(O)CCCCC3)nc21 | 10.1021/jm990499b | ||
| CHEMBL51107 | 189136 | 0 | None | - | 1 | Rat | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 381 | 1 | 2 | 6 | 3.3 | Cn1c(-c2cccc(Cl)c2)nc2c(N)nc(C#CC3(O)CCCCC3)nc21 | 10.1021/jm990499b | ||
| 45481754 | 198128 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 477 | 7 | 1 | 8 | 4.9 | CCCn1cc2c(nc(NC(=O)C(c3ccccc3)c3ccccc3)n3nc(-c4ccco4)nc23)n1 | 10.1016/j.bmc.2009.05.038 | ||
| CHEMBL574775 | 198128 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 477 | 7 | 1 | 8 | 4.9 | CCCn1cc2c(nc(NC(=O)C(c3ccccc3)c3ccccc3)n3nc(-c4ccco4)nc23)n1 | 10.1016/j.bmc.2009.05.038 | ||
| 25230098 | 6184 | 0 | None | 14 | 2 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 299 | 4 | 2 | 6 | 2.1 | CNC(=O)c1nc(NCc2cccnc2)nc2ccsc12 | 10.1016/j.bmcl.2009.08.040 | ||
| CHEMBL1081334 | 6184 | 0 | None | 14 | 2 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 299 | 4 | 2 | 6 | 2.1 | CNC(=O)c1nc(NCc2cccnc2)nc2ccsc12 | 10.1016/j.bmcl.2009.08.040 | ||
| 156010442 | 177019 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 416 | 6 | 3 | 9 | 2.2 | Nc1nc(NCCc2ccc(S(N)(=O)=O)cc2)nc2sc(-c3ccco3)nc12 | 10.1016/j.bmcl.2020.127067 | ||
| CHEMBL4632532 | 177019 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 416 | 6 | 3 | 9 | 2.2 | Nc1nc(NCCc2ccc(S(N)(=O)=O)cc2)nc2sc(-c3ccco3)nc12 | 10.1016/j.bmcl.2020.127067 | ||
| 44186716 | 184090 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 524 | 7 | 2 | 8 | 1.6 | CCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc(OC)cc5)CC4)cc3)[nH]c2c1=O | 10.1021/jm900413e | ||
| CHEMBL482648 | 184090 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 524 | 7 | 2 | 8 | 1.6 | CCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc(OC)cc5)CC4)cc3)[nH]c2c1=O | 10.1021/jm900413e | ||
| 44186718 | 184149 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 538 | 6 | 2 | 9 | 1.3 | CCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc6c(c5)OCO6)CC4)cc3)[nH]c2c1=O | 10.1021/jm900413e | ||
| CHEMBL483065 | 184149 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 538 | 6 | 2 | 9 | 1.3 | CCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc6c(c5)OCO6)CC4)cc3)[nH]c2c1=O | 10.1021/jm900413e | ||
| 57325914 | 74696 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 356 | 4 | 0 | 6 | 3.5 | O=c1c(-c2ccco2)nnc2n(CCc3ccccc3)c3ccccc3n12 | 10.1021/jm201177b | ||
| CHEMBL2030706 | 74696 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 356 | 4 | 0 | 6 | 3.5 | O=c1c(-c2ccco2)nnc2n(CCc3ccccc3)c3ccccc3n12 | 10.1021/jm201177b | ||
| 10714900 | 189426 | 0 | None | 12 | 2 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 381 | 1 | 2 | 6 | 3.3 | Cn1c(-c2ccc(Cl)cc2)nc2c(N)nc(C#CC3(O)CCCCC3)nc21 | 10.1021/jm990499b | ||
| CHEMBL51353 | 189426 | 0 | None | 12 | 2 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 381 | 1 | 2 | 6 | 3.3 | Cn1c(-c2ccc(Cl)cc2)nc2c(N)nc(C#CC3(O)CCCCC3)nc21 | 10.1021/jm990499b | ||
| 45482074 | 198279 | 0 | None | - | 1 | Human | 4.3 | pIC50 | = | 4.3 | Functional | ChEMBL | 511 | 8 | 1 | 8 | 5.2 | O=C(Cc1cccc(Cl)c1)Nc1nc2nn(CCCc3ccccc3)cc2c2nc(-c3ccco3)nn12 | 10.1016/j.bmc.2009.05.038 | ||
| CHEMBL576017 | 198279 | 0 | None | - | 1 | Human | 4.3 | pIC50 | = | 4.3 | Functional | ChEMBL | 511 | 8 | 1 | 8 | 5.2 | O=C(Cc1cccc(Cl)c1)Nc1nc2nn(CCCc3ccccc3)cc2c2nc(-c3ccco3)nn12 | 10.1016/j.bmc.2009.05.038 | ||
| 145960746 | 161580 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 365 | 5 | 2 | 9 | 2.7 | COc1cccc(CNc2nc(N)c3nc(-c4cnccn4)sc3n2)c1 | 10.1016/j.bmc.2018.05.048 | ||
| CHEMBL4129565 | 161580 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 365 | 5 | 2 | 9 | 2.7 | COc1cccc(CNc2nc(N)c3nc(-c4cnccn4)sc3n2)c1 | 10.1016/j.bmc.2018.05.048 | ||
| 60154738 | 76958 | 0 | None | -5 | 2 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 548 | 5 | 3 | 9 | 3.4 | Cn1cc2c(nc(NC(=O)NC3CCN(C(=O)NCc4ccc(Cl)cc4)CC3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm300323t | ||
| CHEMBL2071047 | 76958 | 0 | None | -5 | 2 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 548 | 5 | 3 | 9 | 3.4 | Cn1cc2c(nc(NC(=O)NC3CCN(C(=O)NCc4ccc(Cl)cc4)CC3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm300323t | ||
| 45482464 | 198509 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 447 | 7 | 1 | 8 | 4.1 | CC(C)CCn1cc2c(nc(NC(=O)Cc3ccc(F)cc3)n3nc(-c4ccco4)nc23)n1 | 10.1016/j.bmc.2009.05.038 | ||
| CHEMBL578005 | 198509 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 447 | 7 | 1 | 8 | 4.1 | CC(C)CCn1cc2c(nc(NC(=O)Cc3ccc(F)cc3)n3nc(-c4ccco4)nc23)n1 | 10.1016/j.bmc.2009.05.038 | ||
| 136042341 | 71138 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 517 | 8 | 2 | 9 | 3.8 | CCCn1c(=O)c2[nH]c(-c3cc(OCc4nc5cc(C(F)(F)F)ccc5[nH]4)no3)nc2n(CCC)c1=O | 10.1021/jm201292w | ||
| CHEMBL1955917 | 71138 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 517 | 8 | 2 | 9 | 3.8 | CCCn1c(=O)c2[nH]c(-c3cc(OCc4nc5cc(C(F)(F)F)ccc5[nH]4)no3)nc2n(CCC)c1=O | 10.1021/jm201292w | ||
| 176407 | 4117 | 84 | None | -13 | 2 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 337 | 5 | 3 | 9 | 1.7 | Oc1ccc(cc1)CCNc1nc(N)n2c(n1)nc(n2)c1ccco1 | 10.1016/j.ejmech.2018.06.020 | ||
| 405 | 4117 | 84 | None | -13 | 2 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 337 | 5 | 3 | 9 | 1.7 | Oc1ccc(cc1)CCNc1nc(N)n2c(n1)nc(n2)c1ccco1 | 10.1016/j.ejmech.2018.06.020 | ||
| CHEMBL113142 | 4117 | 84 | None | -13 | 2 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 337 | 5 | 3 | 9 | 1.7 | Oc1ccc(cc1)CCNc1nc(N)n2c(n1)nc(n2)c1ccco1 | 10.1016/j.ejmech.2018.06.020 | ||
| DB08770 | 4117 | 84 | None | -13 | 2 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 337 | 5 | 3 | 9 | 1.7 | Oc1ccc(cc1)CCNc1nc(N)n2c(n1)nc(n2)c1ccco1 | 10.1016/j.ejmech.2018.06.020 | ||
| 10616023 | 101835 | 0 | None | -3 | 2 | Rat | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 325 | 1 | 2 | 6 | 1.9 | Cn1c(-c2cccc(F)c2)nc2c(N)nc(C#CC(C)(C)O)nc21 | 10.1021/jm990499b | ||
| CHEMBL300624 | 101835 | 0 | None | -3 | 2 | Rat | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 325 | 1 | 2 | 6 | 1.9 | Cn1c(-c2cccc(F)c2)nc2c(N)nc(C#CC(C)(C)O)nc21 | 10.1021/jm990499b | ||
| 46883158 | 5806 | 0 | None | 3 | 2 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 346 | 5 | 1 | 6 | 3.9 | O=C(c1ccccc1)c1nc(NCc2cccnc2)nc2ccsc12 | 10.1016/j.bmcl.2009.08.040 | ||
| CHEMBL1079141 | 5806 | 0 | None | 3 | 2 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 346 | 5 | 1 | 6 | 3.9 | O=C(c1ccccc1)c1nc(NCc2cccnc2)nc2ccsc12 | 10.1016/j.bmcl.2009.08.040 | ||
| 127046493 | 139772 | 0 | None | -83 | 3 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 321 | 4 | 1 | 7 | 2.7 | COc1ccccc1Cn1cc2nc(-c3ccco3)nc(N)c2n1 | 10.1016/j.bmc.2016.04.048 | ||
| CHEMBL3798766 | 139772 | 0 | None | -83 | 3 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 321 | 4 | 1 | 7 | 2.7 | COc1ccccc1Cn1cc2nc(-c3ccco3)nc(N)c2n1 | 10.1016/j.bmc.2016.04.048 | ||
| 16071896 | 57995 | 44 | None | -4 | 2 | Mouse | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 335 | 4 | 1 | 5 | 3.1 | O=C(Nc1cnc(-c2ccncc2F)c(-c2cccnc2)n1)C1CC1 | 10.1021/ml100249e | ||
| CHEMBL1672627 | 57995 | 44 | None | -4 | 2 | Mouse | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 335 | 4 | 1 | 5 | 3.1 | O=C(Nc1cnc(-c2ccncc2F)c(-c2cccnc2)n1)C1CC1 | 10.1021/ml100249e | ||
| 25230950 | 152721 | 0 | None | 3 | 4 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 378 | 6 | 1 | 7 | 4.6 | C=Cc1cc2nc(NCc3cccnc3)nc(C(=O)c3cccs3)c2s1 | nan | ||
| CHEMBL3973260 | 152721 | 0 | None | 3 | 4 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 378 | 6 | 1 | 7 | 4.6 | C=Cc1cc2nc(NCc3cccnc3)nc(C(=O)c3cccs3)c2s1 | nan | ||
| 136042334 | 71132 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 490 | 8 | 2 | 9 | 3.2 | CCCn1c(=O)c2[nH]c(-c3cc(OCc4nc5cc(C)c(C)cc5[nH]4)nn3C)nc2n(CCC)c1=O | 10.1021/jm201292w | ||
| CHEMBL1955910 | 71132 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 490 | 8 | 2 | 9 | 3.2 | CCCn1c(=O)c2[nH]c(-c3cc(OCc4nc5cc(C)c(C)cc5[nH]4)nn3C)nc2n(CCC)c1=O | 10.1021/jm201292w | ||
| 46237929 | 8924 | 0 | None | -138 | 2 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 359 | 4 | 1 | 6 | 3.3 | COc1ccc(C(=O)Nc2nc(-c3ccccc3)nc3nn(C)cc23)cc1 | 10.1021/jm901785w | ||
| CHEMBL1098108 | 8924 | 0 | None | -138 | 2 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 359 | 4 | 1 | 6 | 3.3 | COc1ccc(C(=O)Nc2nc(-c3ccccc3)nc3nn(C)cc23)cc1 | 10.1021/jm901785w | ||
| 10633978 | 185853 | 0 | None | - | 1 | Rat | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 243 | 1 | 1 | 5 | 1.8 | Cn1c(-c2cccc(F)c2)nc2c(N)ncnc21 | 10.1021/jm990499b | ||
| CHEMBL48682 | 185853 | 0 | None | - | 1 | Rat | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 243 | 1 | 1 | 5 | 1.8 | Cn1c(-c2cccc(F)c2)nc2c(N)ncnc21 | 10.1021/jm990499b | ||
| 45482080 | 198402 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 451 | 6 | 1 | 8 | 4.5 | CCCn1cc2c(nc(NC(=O)Cc3ccc4ccccc4c3)n3nc(-c4ccco4)nc23)n1 | 10.1016/j.bmc.2009.05.038 | ||
| CHEMBL577135 | 198402 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 451 | 6 | 1 | 8 | 4.5 | CCCn1cc2c(nc(NC(=O)Cc3ccc4ccccc4c3)n3nc(-c4ccco4)nc23)n1 | 10.1016/j.bmc.2009.05.038 | ||
| 46882994 | 5793 | 0 | None | 1 | 2 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 260 | 2 | 0 | 5 | 3.3 | Cc1ccc(C(=O)c2ncnc3ccsc23)s1 | 10.1016/j.bmcl.2009.08.040 | ||
| CHEMBL1079059 | 5793 | 0 | None | 1 | 2 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 260 | 2 | 0 | 5 | 3.3 | Cc1ccc(C(=O)c2ncnc3ccsc23)s1 | 10.1016/j.bmcl.2009.08.040 | ||
| 136042351 | 71122 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 492 | 9 | 2 | 10 | 2.6 | CCCn1c(=O)c2[nH]c(-c3cc(OCc4nc5cc(OC)ccc5[nH]4)nn3C)nc2n(CCC)c1=O | 10.1021/jm201292w | ||
| CHEMBL1955900 | 71122 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 492 | 9 | 2 | 10 | 2.6 | CCCn1c(=O)c2[nH]c(-c3cc(OCc4nc5cc(OC)ccc5[nH]4)nn3C)nc2n(CCC)c1=O | 10.1021/jm201292w | ||
| 386674 | 111294 | 2 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 352 | 3 | 0 | 5 | 3.8 | O=c1c(-c2ccccc2)nnc2n(Cc3ccccc3)c3ccccc3n12 | 10.1021/jm201177b | ||
| CHEMBL326752 | 111294 | 2 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 352 | 3 | 0 | 5 | 3.8 | O=c1c(-c2ccccc2)nnc2n(Cc3ccccc3)c3ccccc3n12 | 10.1021/jm201177b | ||
| 10665761 | 189252 | 0 | None | -3 | 2 | Rat | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 353 | 3 | 2 | 6 | 2.7 | CCC(O)(C#Cc1nc(N)c2nc(-c3cccc(F)c3)n(C)c2n1)CC | 10.1021/jm990499b | ||
| CHEMBL51192 | 189252 | 0 | None | -3 | 2 | Rat | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 353 | 3 | 2 | 6 | 2.7 | CCC(O)(C#Cc1nc(N)c2nc(-c3cccc(F)c3)n(C)c2n1)CC | 10.1021/jm990499b | ||
| 145954098 | 162515 | 0 | None | -35 | 2 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 345 | 4 | 2 | 8 | 4.1 | Nc1nc(NCc2cccs2)nc2sc(-c3cccs3)nc12 | 10.1016/j.ejmech.2018.06.020 | ||
| CHEMBL4168016 | 162515 | 0 | None | -35 | 2 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 345 | 4 | 2 | 8 | 4.1 | Nc1nc(NCc2cccs2)nc2sc(-c3cccs3)nc12 | 10.1016/j.ejmech.2018.06.020 | ||
| 57402162 | 69770 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 494 | 7 | 2 | 9 | 4.6 | COc1ccc(NC(=O)Nc2nc3cn(CCc4ccccc4)nc3c3nc(-c4ccco4)nn23)cc1 | 10.1016/j.bmc.2011.11.037 | ||
| CHEMBL1935766 | 69770 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 494 | 7 | 2 | 9 | 4.6 | COc1ccc(NC(=O)Nc2nc3cn(CCc4ccccc4)nc3c3nc(-c4ccco4)nn23)cc1 | 10.1016/j.bmc.2011.11.037 | ||
| 44537897 | 198053 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 497 | 7 | 1 | 8 | 5.0 | CC(C)CCn1cc2c(nc(NC(=O)Cc3ccc(C(F)(F)F)cc3)n3nc(-c4ccco4)nc23)n1 | 10.1016/j.bmc.2009.05.038 | ||
| CHEMBL574263 | 198053 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 497 | 7 | 1 | 8 | 5.0 | CC(C)CCn1cc2c(nc(NC(=O)Cc3ccc(C(F)(F)F)cc3)n3nc(-c4ccco4)nc23)n1 | 10.1016/j.bmc.2009.05.038 | ||
| 46883043 | 5703 | 0 | None | 18 | 2 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 366 | 5 | 1 | 7 | 4.3 | Cc1ccc(C(=O)c2nc(NCc3cccnc3)nc3ccsc23)s1 | 10.1016/j.bmcl.2009.08.040 | ||
| CHEMBL1078349 | 5703 | 0 | None | 18 | 2 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 366 | 5 | 1 | 7 | 4.3 | Cc1ccc(C(=O)c2nc(NCc3cccnc3)nc3ccsc23)s1 | 10.1016/j.bmcl.2009.08.040 | ||
| 134138322 | 148015 | 0 | None | -15 | 2 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 367 | 6 | 2 | 8 | 3.6 | COc1ccc(CCNc2nc(N)c3nc(-c4ccco4)sc3n2)cc1 | 10.1021/acs.jmedchem.6b01068 | ||
| CHEMBL3934626 | 148015 | 0 | None | -15 | 2 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 367 | 6 | 2 | 8 | 3.6 | COc1ccc(CCNc2nc(N)c3nc(-c4ccco4)sc3n2)cc1 | 10.1021/acs.jmedchem.6b01068 | ||
| 145963661 | 161518 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 301 | 4 | 2 | 7 | 2.6 | COc1ccccc1CNc1nc(N)c2nc(C)sc2n1 | 10.1016/j.bmc.2018.05.048 | ||
| CHEMBL4128638 | 161518 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 301 | 4 | 2 | 7 | 2.6 | COc1ccccc1CNc1nc(N)c2nc(C)sc2n1 | 10.1016/j.bmc.2018.05.048 | ||
| 46883040 | 5655 | 0 | None | 1 | 2 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 365 | 5 | 1 | 6 | 4.9 | Cc1ccc(C(=O)c2nc(NCc3ccccc3)nc3ccsc23)s1 | 10.1016/j.bmcl.2009.08.040 | ||
| CHEMBL1077985 | 5655 | 0 | None | 1 | 2 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 365 | 5 | 1 | 6 | 4.9 | Cc1ccc(C(=O)c2nc(NCc3ccccc3)nc3ccsc23)s1 | 10.1016/j.bmcl.2009.08.040 | ||
| 10621771 | 193095 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 415 | 1 | 2 | 6 | 3.7 | Cn1c(-c2cccc(C(F)(F)F)c2)nc2c(N)nc(C#CC3(O)CCCCC3)nc21 | 10.1021/jm990499b | ||
| CHEMBL52276 | 193095 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 415 | 1 | 2 | 6 | 3.7 | Cn1c(-c2cccc(C(F)(F)F)c2)nc2c(N)nc(C#CC3(O)CCCCC3)nc21 | 10.1021/jm990499b | ||
| 25230100 | 6320 | 0 | None | 5 | 2 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 367 | 5 | 2 | 6 | 3.8 | O=C(NC1CCCCC1)c1nc(NCc2cccnc2)nc2ccsc12 | 10.1016/j.bmcl.2009.08.040 | ||
| CHEMBL1082063 | 6320 | 0 | None | 5 | 2 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 367 | 5 | 2 | 6 | 3.8 | O=C(NC1CCCCC1)c1nc(NCc2cccnc2)nc2ccsc12 | 10.1016/j.bmcl.2009.08.040 | ||
| 9970667 | 205258 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 276 | 1 | 0 | 5 | 2.2 | Cn1c2ccccc2n2c(=O)c(-c3ccccc3)nnc12 | 10.1021/jm201177b | ||
| CHEMBL7909 | 205258 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 276 | 1 | 0 | 5 | 2.2 | Cn1c2ccccc2n2c(=O)c(-c3ccccc3)nnc12 | 10.1021/jm201177b | ||
| 135874413 | 96361 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 449 | 8 | 2 | 8 | 2.5 | CCCn1c(=O)c2[nH]c(-c3cc(C)n(CC(=O)Nc4ccccc4)n3)nc2n(CCC)c1=O | 10.1016/j.bmc.2007.11.058 | ||
| CHEMBL261810 | 96361 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 449 | 8 | 2 | 8 | 2.5 | CCCn1c(=O)c2[nH]c(-c3cc(C)n(CC(=O)Nc4ccccc4)n3)nc2n(CCC)c1=O | 10.1016/j.bmc.2007.11.058 | ||
| 156018440 | 177828 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 457 | 4 | 2 | 10 | 1.9 | Nc1nc(N2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)nc2sc(-c3ccco3)nc12 | 10.1016/j.bmcl.2020.127067 | ||
| CHEMBL4644153 | 177828 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 457 | 4 | 2 | 10 | 1.9 | Nc1nc(N2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)nc2sc(-c3ccco3)nc12 | 10.1016/j.bmcl.2020.127067 | ||
| 57395164 | 69768 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 404 | 4 | 2 | 9 | 2.9 | COc1ccc(NC(=O)Nc2nc3cn(C)nc3c3nc(-c4ccco4)nn23)cc1 | 10.1016/j.bmc.2011.11.037 | ||
| CHEMBL1935764 | 69768 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 404 | 4 | 2 | 9 | 2.9 | COc1ccc(NC(=O)Nc2nc3cn(C)nc3c3nc(-c4ccco4)nn23)cc1 | 10.1016/j.bmc.2011.11.037 | ||
| 45481760 | 197985 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 539 | 8 | 1 | 8 | 5.7 | O=C(Nc1nc2nn(CCc3ccccc3)cc2c2nc(-c3ccco3)nn12)C(c1ccccc1)c1ccccc1 | 10.1016/j.bmc.2009.05.038 | ||
| CHEMBL573780 | 197985 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 539 | 8 | 1 | 8 | 5.7 | O=C(Nc1nc2nn(CCc3ccccc3)cc2c2nc(-c3ccco3)nn12)C(c1ccccc1)c1ccccc1 | 10.1016/j.bmc.2009.05.038 | ||
| 57395162 | 69759 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 359 | 5 | 1 | 8 | 2.9 | Nc1nc2cnn(CCCc3ccccc3)c2c2nc(-c3ccco3)nn12 | 10.1016/j.bmc.2011.11.037 | ||
| CHEMBL1935755 | 69759 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 359 | 5 | 1 | 8 | 2.9 | Nc1nc2cnn(CCCc3ccccc3)c2c2nc(-c3ccco3)nn12 | 10.1016/j.bmc.2011.11.037 | ||
| 49797905 | 10711 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 517 | 7 | 1 | 7 | 5.2 | CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3cnn(Cc4cccc(C(F)(F)F)c4)c3)sc12 | 10.1016/j.bmcl.2010.05.056 | ||
| CHEMBL1171164 | 10711 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 517 | 7 | 1 | 7 | 5.2 | CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3cnn(Cc4cccc(C(F)(F)F)c4)c3)sc12 | 10.1016/j.bmcl.2010.05.056 | ||
| 49797905 | 10711 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 517 | 7 | 1 | 7 | 5.2 | CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3cnn(Cc4cccc(C(F)(F)F)c4)c3)sc12 | 10.1016/j.bmcl.2011.02.053 | ||
| CHEMBL1171164 | 10711 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 517 | 7 | 1 | 7 | 5.2 | CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3cnn(Cc4cccc(C(F)(F)F)c4)c3)sc12 | 10.1016/j.bmcl.2011.02.053 | ||
| 136042339 | 71136 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 483 | 8 | 2 | 9 | 3.5 | CCCn1c(=O)c2[nH]c(-c3cc(OCc4nc5cc(Cl)ccc5[nH]4)no3)nc2n(CCC)c1=O | 10.1021/jm201292w | ||
| CHEMBL1955915 | 71136 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 483 | 8 | 2 | 9 | 3.5 | CCCn1c(=O)c2[nH]c(-c3cc(OCc4nc5cc(Cl)ccc5[nH]4)no3)nc2n(CCC)c1=O | 10.1021/jm201292w | ||
| 25230881 | 6145 | 0 | None | 1 | 4 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 395 | 6 | 1 | 8 | 4.1 | CN(C)c1cc2nc(NCc3cccnc3)nc(C(=O)c3cccs3)c2s1 | nan | ||
| CHEMBL1081160 | 6145 | 0 | None | 1 | 4 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 395 | 6 | 1 | 8 | 4.1 | CN(C)c1cc2nc(NCc3cccnc3)nc(C(=O)c3cccs3)c2s1 | nan | ||
| 25230948 | 6003 | 0 | None | 3 | 4 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 395 | 7 | 2 | 8 | 4.4 | CCNc1cc2nc(NCc3cccnc3)nc(C(=O)c3cccs3)c2s1 | nan | ||
| CHEMBL1080421 | 6003 | 0 | None | 3 | 4 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 395 | 7 | 2 | 8 | 4.4 | CCNc1cc2nc(NCc3cccnc3)nc(C(=O)c3cccs3)c2s1 | nan | ||
| 156821433 | 185970 | 0 | None | -12 | 2 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 427 | 4 | 1 | 8 | 2.9 | Cn1cc(-c2c(-c3ccccc3)nc(N)n3nc(Cc4ncccc4F)nc23)ccc1=O | 10.1021/acsmedchemlett.1c00620 | ||
| CHEMBL4870159 | 185970 | 0 | None | -12 | 2 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 427 | 4 | 1 | 8 | 2.9 | Cn1cc(-c2c(-c3ccccc3)nc(N)n3nc(Cc4ncccc4F)nc23)ccc1=O | 10.1021/acsmedchemlett.1c00620 | ||
| 49797826 | 10635 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 416 | 6 | 2 | 6 | 2.5 | COc1ccc(N(CC(N)=O)C(C)=O)c2sc(NC(=O)c3ccc(F)cc3)nc12 | 10.1016/j.bmcl.2010.05.056 | ||
| CHEMBL1170526 | 10635 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 416 | 6 | 2 | 6 | 2.5 | COc1ccc(N(CC(N)=O)C(C)=O)c2sc(NC(=O)c3ccc(F)cc3)nc12 | 10.1016/j.bmcl.2010.05.056 | ||
| 136042331 | 71128 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 476 | 8 | 2 | 9 | 2.9 | CCCn1c(=O)c2[nH]c(-c3cc(OCc4nc5c(C)cccc5[nH]4)nn3C)nc2n(CCC)c1=O | 10.1021/jm201292w | ||
| CHEMBL1955906 | 71128 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 476 | 8 | 2 | 9 | 2.9 | CCCn1c(=O)c2[nH]c(-c3cc(OCc4nc5c(C)cccc5[nH]4)nn3C)nc2n(CCC)c1=O | 10.1021/jm201292w | ||
| 135489238 | 476 | 1 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 533 | 9 | 2 | 9 | 3.4 | CCCn1c2[nH]c(nc2c(=O)n(c1=O)CCC)c1cc(nn1C)OCC(=O)Nc1ccc(c(c1)Cl)Cl | 10.1021/jm0309654 | ||
| 381 | 476 | 1 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 533 | 9 | 2 | 9 | 3.4 | CCCn1c2[nH]c(nc2c(=O)n(c1=O)CCC)c1cc(nn1C)OCC(=O)Nc1ccc(c(c1)Cl)Cl | 10.1021/jm0309654 | ||
| CHEMBL32802 | 476 | 1 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 533 | 9 | 2 | 9 | 3.4 | CCCn1c2[nH]c(nc2c(=O)n(c1=O)CCC)c1cc(nn1C)OCC(=O)Nc1ccc(c(c1)Cl)Cl | 10.1021/jm0309654 | ||
| 49797797 | 10586 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 444 | 6 | 1 | 6 | 3.1 | COc1ccc(N(CC(=O)N(C)C)C(C)=O)c2sc(NC(=O)c3ccc(F)cc3)nc12 | 10.1016/j.bmcl.2010.05.056 | ||
| CHEMBL1170131 | 10586 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 444 | 6 | 1 | 6 | 3.1 | COc1ccc(N(CC(=O)N(C)C)C(C)=O)c2sc(NC(=O)c3ccc(F)cc3)nc12 | 10.1016/j.bmcl.2010.05.056 | ||
| 49797827 | 10610 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 417 | 6 | 2 | 6 | 3.1 | COc1ccc(N(CC(=O)O)C(C)=O)c2sc(NC(=O)c3ccc(F)cc3)nc12 | 10.1016/j.bmcl.2010.05.056 | ||
| CHEMBL1170295 | 10610 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 417 | 6 | 2 | 6 | 3.1 | COc1ccc(N(CC(=O)O)C(C)=O)c2sc(NC(=O)c3ccc(F)cc3)nc12 | 10.1016/j.bmcl.2010.05.056 | ||
| 135874420 | 161278 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 479 | 9 | 2 | 9 | 2.5 | CCCn1c(=O)c2[nH]c(-c3cc(C)n(CC(=O)Nc4ccc(OC)cc4)n3)nc2n(CCC)c1=O | 10.1016/j.bmc.2007.11.058 | ||
| CHEMBL412284 | 161278 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 479 | 9 | 2 | 9 | 2.5 | CCCn1c(=O)c2[nH]c(-c3cc(C)n(CC(=O)Nc4ccc(OC)cc4)n3)nc2n(CCC)c1=O | 10.1016/j.bmc.2007.11.058 | ||
| 136042328 | 71118 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 507 | 9 | 2 | 11 | 2.5 | CCCn1c(=O)c2[nH]c(-c3cc(OCc4nc5cc([N+](=O)[O-])ccc5[nH]4)nn3C)nc2n(CCC)c1=O | 10.1021/jm201292w | ||
| CHEMBL1955894 | 71118 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 507 | 9 | 2 | 11 | 2.5 | CCCn1c(=O)c2[nH]c(-c3cc(OCc4nc5cc([N+](=O)[O-])ccc5[nH]4)nn3C)nc2n(CCC)c1=O | 10.1021/jm201292w | ||
| 136042352 | 71123 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 540 | 8 | 2 | 9 | 3.3 | CCCn1c(=O)c2[nH]c(-c3cc(OCc4nc5cc(Br)ccc5[nH]4)nn3C)nc2n(CCC)c1=O | 10.1021/jm201292w | ||
| CHEMBL1955901 | 71123 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 540 | 8 | 2 | 9 | 3.3 | CCCn1c(=O)c2[nH]c(-c3cc(OCc4nc5cc(Br)ccc5[nH]4)nn3C)nc2n(CCC)c1=O | 10.1021/jm201292w | ||
| 156821338 | 185795 | 0 | None | -8 | 2 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 439 | 5 | 1 | 9 | 2.7 | COc1ccc(Cc2nc3c(-c4ccc(=O)n(C)c4)c(-c4ccccc4)nc(N)n3n2)nc1 | 10.1021/acsmedchemlett.1c00620 | ||
| CHEMBL4867286 | 185795 | 0 | None | -8 | 2 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 439 | 5 | 1 | 9 | 2.7 | COc1ccc(Cc2nc3c(-c4ccc(=O)n(C)c4)c(-c4ccccc4)nc(N)n3n2)nc1 | 10.1021/acsmedchemlett.1c00620 | ||
| 9841364 | 101430 | 1 | None | 6 | 2 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 351 | 1 | 2 | 6 | 2.4 | Cn1c(-c2cccc(F)c2)nc2c(N)nc(C#CC3(O)CCCC3)nc21 | 10.1021/jm990499b | ||
| CHEMBL297685 | 101430 | 1 | None | 6 | 2 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 351 | 1 | 2 | 6 | 2.4 | Cn1c(-c2cccc(F)c2)nc2c(N)nc(C#CC3(O)CCCC3)nc21 | 10.1021/jm990499b | ||
| 118708214 | 113326 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 211 | 1 | 1 | 5 | 1.4 | Nc1ncnc2cn(-c3ccccc3)nc12 | 10.1016/j.ejmech.2014.07.060 | ||
| CHEMBL3317555 | 113326 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 211 | 1 | 1 | 5 | 1.4 | Nc1ncnc2cn(-c3ccccc3)nc12 | 10.1016/j.ejmech.2014.07.060 | ||
| 10714900 | 189426 | 0 | None | -12 | 2 | Rat | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 381 | 1 | 2 | 6 | 3.3 | Cn1c(-c2ccc(Cl)cc2)nc2c(N)nc(C#CC3(O)CCCCC3)nc21 | 10.1021/jm990499b | ||
| CHEMBL51353 | 189426 | 0 | None | -12 | 2 | Rat | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 381 | 1 | 2 | 6 | 3.3 | Cn1c(-c2ccc(Cl)cc2)nc2c(N)nc(C#CC3(O)CCCCC3)nc21 | 10.1021/jm990499b | ||
| 134139825 | 146472 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 309 | 3 | 2 | 7 | 3.7 | Nc1nc(Nc2ccccc2)nc2sc(-c3ccco3)nc12 | 10.1021/acs.jmedchem.6b01068 | ||
| CHEMBL3922410 | 146472 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 309 | 3 | 2 | 7 | 3.7 | Nc1nc(Nc2ccccc2)nc2sc(-c3ccco3)nc12 | 10.1021/acs.jmedchem.6b01068 | ||
| 127045910 | 140014 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 321 | 3 | 2 | 7 | 2.7 | Cc1ccc(-c2nc(N)c3nn(Cc4cccc(O)c4)cc3n2)o1 | 10.1016/j.bmc.2016.04.048 | ||
| CHEMBL3800254 | 140014 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 321 | 3 | 2 | 7 | 2.7 | Cc1ccc(-c2nc(N)c3nn(Cc4cccc(O)c4)cc3n2)o1 | 10.1016/j.bmc.2016.04.048 | ||
| 136042344 | 71141 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 551 | 8 | 2 | 9 | 4.5 | CCCn1c(=O)c2[nH]c(-c3cc(OCc4nc5c(Cl)cc(C(F)(F)F)cc5[nH]4)no3)nc2n(CCC)c1=O | 10.1021/jm201292w | ||
| CHEMBL1955920 | 71141 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 551 | 8 | 2 | 9 | 4.5 | CCCn1c(=O)c2[nH]c(-c3cc(OCc4nc5c(Cl)cc(C(F)(F)F)cc5[nH]4)no3)nc2n(CCC)c1=O | 10.1021/jm201292w | ||
| 11716665 | 2268 | 37 | None | -1 | 2 | Mouse | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 316 | 4 | 1 | 7 | 3.3 | n1ccc(nc1)c1cnc(nc1c1ccco1)Nc1cccnc1 | 10.1021/jm061333v | ||
| 5617 | 2268 | 37 | None | -1 | 2 | Mouse | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 316 | 4 | 1 | 7 | 3.3 | n1ccc(nc1)c1cnc(nc1c1ccco1)Nc1cccnc1 | 10.1021/jm061333v | ||
| CHEMBL375293 | 2268 | 37 | None | -1 | 2 | Mouse | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 316 | 4 | 1 | 7 | 3.3 | n1ccc(nc1)c1cnc(nc1c1ccco1)Nc1cccnc1 | 10.1021/jm061333v | ||
| 45482087 | 198083 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 441 | 4 | 1 | 8 | 3.8 | Cn1cc2c(nc(NC(=O)Cc3c(Cl)cccc3Cl)n3nc(-c4ccco4)nc23)n1 | 10.1016/j.bmc.2009.05.038 | ||
| CHEMBL574490 | 198083 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 441 | 4 | 1 | 8 | 3.8 | Cn1cc2c(nc(NC(=O)Cc3c(Cl)cccc3Cl)n3nc(-c4ccco4)nc23)n1 | 10.1016/j.bmc.2009.05.038 | ||
| 136042355 | 71119 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 462 | 8 | 2 | 9 | 2.6 | CCCn1c(=O)c2[nH]c(-c3cc(OCc4nc5ccccc5[nH]4)nn3C)nc2n(CCC)c1=O | 10.1021/jm201292w | ||
| CHEMBL1955897 | 71119 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 462 | 8 | 2 | 9 | 2.6 | CCCn1c(=O)c2[nH]c(-c3cc(OCc4nc5ccccc5[nH]4)nn3C)nc2n(CCC)c1=O | 10.1021/jm201292w | ||
| 135443367 | 486 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 534 | 9 | 1 | 10 | 1.8 | CCCn1c2[nH]c(nc2c(=O)n(c1=O)CCC)c1cc(nn1C)OCC(=O)N1CCN(CC1)c1ccccc1 | 10.1021/jm0309654 | ||
| 382 | 486 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 534 | 9 | 1 | 10 | 1.8 | CCCn1c2[nH]c(nc2c(=O)n(c1=O)CCC)c1cc(nn1C)OCC(=O)N1CCN(CC1)c1ccccc1 | 10.1021/jm0309654 | ||
| CHEMBL33455 | 486 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 534 | 9 | 1 | 10 | 1.8 | CCCn1c2[nH]c(nc2c(=O)n(c1=O)CCC)c1cc(nn1C)OCC(=O)N1CCN(CC1)c1ccccc1 | 10.1021/jm0309654 | ||
| 135874416 | 96359 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 467 | 8 | 2 | 8 | 2.7 | CCCn1c(=O)c2[nH]c(-c3cc(C)n(CC(=O)Nc4ccc(F)cc4)n3)nc2n(CCC)c1=O | 10.1016/j.bmc.2007.11.058 | ||
| CHEMBL261809 | 96359 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 467 | 8 | 2 | 8 | 2.7 | CCCn1c(=O)c2[nH]c(-c3cc(C)n(CC(=O)Nc4ccc(F)cc4)n3)nc2n(CCC)c1=O | 10.1016/j.bmc.2007.11.058 | ||
| 25230952 | 146527 | 0 | None | 3 | 4 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 458 | 8 | 2 | 9 | 5.0 | O=C(c1cccs1)c1nc(NCc2cccnc2)nc2cc(NCc3cccnc3)sc12 | nan | ||
| CHEMBL3922797 | 146527 | 0 | None | 3 | 4 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 458 | 8 | 2 | 9 | 5.0 | O=C(c1cccs1)c1nc(NCc2cccnc2)nc2cc(NCc3cccnc3)sc12 | nan | ||
| 49797879 | 10632 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 358 | 5 | 2 | 5 | 3.3 | CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3cc[nH]c3)sc12 | 10.1016/j.bmcl.2010.05.056 | ||
| CHEMBL1170519 | 10632 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 358 | 5 | 2 | 5 | 3.3 | CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3cc[nH]c3)sc12 | 10.1016/j.bmcl.2010.05.056 | ||
| 25230949 | 5973 | 0 | None | 15 | 4 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 367 | 5 | 2 | 8 | 3.6 | Nc1cc2nc(NCc3cccnc3)nc(C(=O)c3cccs3)c2s1 | nan | ||
| CHEMBL1080241 | 5973 | 0 | None | 15 | 4 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 367 | 5 | 2 | 8 | 3.6 | Nc1cc2nc(NCc3cccnc3)nc(C(=O)c3cccs3)c2s1 | nan | ||
| 136042332 | 71130 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 598 | 8 | 2 | 9 | 4.6 | CCCn1c(=O)c2[nH]c(-c3cc(OCc4nc5c(C(F)(F)F)cc(C(F)(F)F)cc5[nH]4)nn3C)nc2n(CCC)c1=O | 10.1021/jm201292w | ||
| CHEMBL1955908 | 71130 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 598 | 8 | 2 | 9 | 4.6 | CCCn1c(=O)c2[nH]c(-c3cc(OCc4nc5c(C(F)(F)F)cc(C(F)(F)F)cc5[nH]4)nn3C)nc2n(CCC)c1=O | 10.1021/jm201292w | ||
| 135443367 | 486 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 534 | 9 | 1 | 10 | 1.8 | CCCn1c2[nH]c(nc2c(=O)n(c1=O)CCC)c1cc(nn1C)OCC(=O)N1CCN(CC1)c1ccccc1 | 10.1021/jm0309654 | ||
| 382 | 486 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 534 | 9 | 1 | 10 | 1.8 | CCCn1c2[nH]c(nc2c(=O)n(c1=O)CCC)c1cc(nn1C)OCC(=O)N1CCN(CC1)c1ccccc1 | 10.1021/jm0309654 | ||
| CHEMBL33455 | 486 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 534 | 9 | 1 | 10 | 1.8 | CCCn1c2[nH]c(nc2c(=O)n(c1=O)CCC)c1cc(nn1C)OCC(=O)N1CCN(CC1)c1ccccc1 | 10.1021/jm0309654 | ||
| 51051251 | 69260 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 321 | 3 | 2 | 8 | 1.6 | Nc1nc(NC(=O)c2ccccc2)n2nc(-c3ccco3)nc2n1 | 10.1021/jm101349u | ||
| CHEMBL1927634 | 69260 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 321 | 3 | 2 | 8 | 1.6 | Nc1nc(NC(=O)c2ccccc2)n2nc(-c3ccco3)nc2n1 | 10.1021/jm101349u | ||
| 51050844 | 69233 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 442 | 6 | 3 | 10 | 3.1 | CC(C)(C)OC(=O)NCC1CCC(CNc2nc(N)n3nc(-c4ccco4)nc3n2)CC1 | 10.1021/jm101349u | ||
| CHEMBL1927427 | 69233 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 442 | 6 | 3 | 10 | 3.1 | CC(C)(C)OC(=O)NCC1CCC(CNc2nc(N)n3nc(-c4ccco4)nc3n2)CC1 | 10.1021/jm101349u | ||
| 145960813 | 161326 | 0 | None | -1 | 3 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 339 | 4 | 2 | 7 | 4.0 | Nc1nc(NCc2cccs2)nc2sc(-c3ccccc3)nc12 | 10.1016/j.bmc.2018.05.048 | ||
| CHEMBL4125975 | 161326 | 0 | None | -1 | 3 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 339 | 4 | 2 | 7 | 4.0 | Nc1nc(NCc2cccs2)nc2sc(-c3ccccc3)nc12 | 10.1016/j.bmc.2018.05.048 | ||
| 54587016 | 60697 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 520 | 7 | 1 | 6 | 5.2 | CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)[C@@H]3CCN(Cc4cccc(C(F)(F)F)c4)C3)sc12 | 10.1016/j.bmcl.2011.02.053 | ||
| CHEMBL1760890 | 60697 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 520 | 7 | 1 | 6 | 5.2 | CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)[C@@H]3CCN(Cc4cccc(C(F)(F)F)c4)C3)sc12 | 10.1016/j.bmcl.2011.02.053 | ||
| 10761800 | 188195 | 0 | None | 5 | 2 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 372 | 1 | 2 | 7 | 2.5 | Cn1c(-c2cccc(C#N)c2)nc2c(N)nc(C#CC3(O)CCCCC3)nc21 | 10.1021/jm990499b | ||
| CHEMBL49925 | 188195 | 0 | None | 5 | 2 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 372 | 1 | 2 | 7 | 2.5 | Cn1c(-c2cccc(C#N)c2)nc2c(N)nc(C#CC3(O)CCCCC3)nc21 | 10.1021/jm990499b | ||
| 10688203 | 101698 | 0 | None | - | 1 | Rat | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 335 | 1 | 1 | 5 | 3.3 | Cn1c(-c2cccc(F)c2)nc2c(N)nc(C#CC3CCCC3)nc21 | 10.1021/jm990499b | ||
| CHEMBL299548 | 101698 | 0 | None | - | 1 | Rat | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 335 | 1 | 1 | 5 | 3.3 | Cn1c(-c2cccc(F)c2)nc2c(N)nc(C#CC3CCCC3)nc21 | 10.1021/jm990499b | ||
| 45482082 | 198200 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 465 | 7 | 1 | 8 | 4.9 | CCCCn1cc2c(nc(NC(=O)Cc3cccc4ccccc34)n3nc(-c4ccco4)nc23)n1 | 10.1016/j.bmc.2009.05.038 | ||
| CHEMBL575386 | 198200 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 465 | 7 | 1 | 8 | 4.9 | CCCCn1cc2c(nc(NC(=O)Cc3cccc4ccccc34)n3nc(-c4ccco4)nc23)n1 | 10.1016/j.bmc.2009.05.038 | ||
| 136042338 | 71135 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 449 | 8 | 2 | 9 | 2.8 | CCCn1c(=O)c2[nH]c(-c3cc(OCc4nc5ccccc5[nH]4)no3)nc2n(CCC)c1=O | 10.1021/jm201292w | ||
| CHEMBL1955914 | 71135 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 449 | 8 | 2 | 9 | 2.8 | CCCn1c(=O)c2[nH]c(-c3cc(OCc4nc5ccccc5[nH]4)no3)nc2n(CCC)c1=O | 10.1021/jm201292w | ||
| 57402118 | 69752 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 493 | 7 | 2 | 8 | 5.2 | COc1ccc(NC(=O)Nc2nc3cn(CCc4ccccc4)cc3c3nc(-c4ccco4)nn23)cc1 | 10.1016/j.bmc.2011.11.037 | ||
| CHEMBL1935749 | 69752 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 493 | 7 | 2 | 8 | 5.2 | COc1ccc(NC(=O)Nc2nc3cn(CCc4ccccc4)cc3c3nc(-c4ccco4)nn23)cc1 | 10.1016/j.bmc.2011.11.037 | ||
| 135546649 | 116610 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 479 | 9 | 2 | 9 | 2.4 | CCCn1c(=O)c2nc(-c3cc(OCC(=O)Nc4ccc(C)cc4)nn3C)[nH]c2n(CCC)c1=O | 10.1021/jm0309654 | ||
| CHEMBL33695 | 116610 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 479 | 9 | 2 | 9 | 2.4 | CCCn1c(=O)c2nc(-c3cc(OCC(=O)Nc4ccc(C)cc4)nn3C)[nH]c2n(CCC)c1=O | 10.1021/jm0309654 | ||
| 145436760 | 162118 | 0 | None | -2089 | 2 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 329 | 4 | 2 | 8 | 3.6 | Nc1nc(NCc2cccs2)nc2sc(-c3ccco3)nc12 | 10.1016/j.ejmech.2018.06.020 | ||
| CHEMBL4161758 | 162118 | 0 | None | -2089 | 2 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 329 | 4 | 2 | 8 | 3.6 | Nc1nc(NCc2cccs2)nc2sc(-c3ccco3)nc12 | 10.1016/j.ejmech.2018.06.020 | ||
| 10570068 | 185860 | 0 | None | - | 1 | Rat | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 353 | 1 | 2 | 7 | 2.7 | Cn1c(-c2cccs2)nc2c(N)nc(C#CC3(O)CCCCC3)nc21 | 10.1021/jm990499b | ||
| CHEMBL48683 | 185860 | 0 | None | - | 1 | Rat | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 353 | 1 | 2 | 7 | 2.7 | Cn1c(-c2cccs2)nc2c(N)nc(C#CC3(O)CCCCC3)nc21 | 10.1021/jm990499b | ||
| 145962310 | 161344 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 363 | 5 | 3 | 7 | 3.7 | Nc1nc(NCCc2ccc(O)cc2)nc2sc(-c3ccccc3)nc12 | 10.1016/j.bmc.2018.05.048 | ||
| CHEMBL4126116 | 161344 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 363 | 5 | 3 | 7 | 3.7 | Nc1nc(NCCc2ccc(O)cc2)nc2sc(-c3ccccc3)nc12 | 10.1016/j.bmc.2018.05.048 | ||
| 46882997 | 5608 | 0 | None | -3 | 2 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 275 | 2 | 1 | 6 | 2.9 | Cc1ccc(C(=O)c2nc(N)nc3ccsc23)s1 | 10.1016/j.bmcl.2009.08.040 | ||
| CHEMBL1077751 | 5608 | 0 | None | -3 | 2 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 275 | 2 | 1 | 6 | 2.9 | Cc1ccc(C(=O)c2nc(N)nc3ccsc23)s1 | 10.1016/j.bmcl.2009.08.040 | ||
| 10807613 | 189472 | 0 | None | - | 1 | Rat | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 347 | 1 | 2 | 6 | 2.7 | Cn1c(-c2ccccc2)nc2c(N)nc(C#CC3(O)CCCCC3)nc21 | 10.1021/jm990499b | ||
| CHEMBL51394 | 189472 | 0 | None | - | 1 | Rat | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 347 | 1 | 2 | 6 | 2.7 | Cn1c(-c2ccccc2)nc2c(N)nc(C#CC3(O)CCCCC3)nc21 | 10.1021/jm990499b | ||
| 127035806 | 137349 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 425 | 7 | 2 | 8 | 3.6 | O=C(Cc1ccccc1)Nc1nc(NCc2ccccc2)nc2nc(-c3ccco3)nn12 | 10.1016/j.ejmech.2015.12.019 | ||
| CHEMBL3753079 | 137349 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 425 | 7 | 2 | 8 | 3.6 | O=C(Cc1ccccc1)Nc1nc(NCc2ccccc2)nc2nc(-c3ccco3)nn12 | 10.1016/j.ejmech.2015.12.019 | ||
| 49797853 | 10816 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 403 | 6 | 2 | 6 | 3.0 | COc1ccc(N(CCO)C(C)=O)c2sc(NC(=O)c3ccc(F)cc3)nc12 | 10.1016/j.bmcl.2010.05.056 | ||
| CHEMBL1172267 | 10816 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 403 | 6 | 2 | 6 | 3.0 | COc1ccc(N(CCO)C(C)=O)c2sc(NC(=O)c3ccc(F)cc3)nc12 | 10.1016/j.bmcl.2010.05.056 | ||
| 10618828 | 101961 | 0 | None | 5 | 2 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 365 | 1 | 2 | 6 | 2.8 | Cn1c(-c2ccccc2F)nc2c(N)nc(C#CC3(O)CCCCC3)nc21 | 10.1021/jm990499b | ||
| CHEMBL301512 | 101961 | 0 | None | 5 | 2 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 365 | 1 | 2 | 6 | 2.8 | Cn1c(-c2ccccc2F)nc2c(N)nc(C#CC3(O)CCCCC3)nc21 | 10.1021/jm990499b | ||
| 57393433 | 69762 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 494 | 7 | 2 | 9 | 4.6 | COc1ccc(NC(=O)Nc2nc3cnn(CCc4ccccc4)c3c3nc(-c4ccco4)nn23)cc1 | 10.1016/j.bmc.2011.11.037 | ||
| CHEMBL1935758 | 69762 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 494 | 7 | 2 | 9 | 4.6 | COc1ccc(NC(=O)Nc2nc3cnn(CCc4ccccc4)c3c3nc(-c4ccco4)nn23)cc1 | 10.1016/j.bmc.2011.11.037 | ||
| 45481621 | 197886 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 491 | 8 | 1 | 8 | 5.3 | CCCCn1cc2c(nc(NC(=O)C(c3ccccc3)c3ccccc3)n3nc(-c4ccco4)nc23)n1 | 10.1016/j.bmc.2009.05.038 | ||
| CHEMBL572906 | 197886 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 491 | 8 | 1 | 8 | 5.3 | CCCCn1cc2c(nc(NC(=O)C(c3ccccc3)c3ccccc3)n3nc(-c4ccco4)nc23)n1 | 10.1016/j.bmc.2009.05.038 | ||
| 145961937 | 161432 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 341 | 4 | 2 | 9 | 2.8 | Nc1nc(NCc2cccs2)nc2sc(-c3cnccn3)nc12 | 10.1016/j.bmc.2018.05.048 | ||
| CHEMBL4127472 | 161432 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 341 | 4 | 2 | 9 | 2.8 | Nc1nc(NCc2cccs2)nc2sc(-c3cnccn3)nc12 | 10.1016/j.bmc.2018.05.048 | ||
| 57325915 | 74698 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 362 | 2 | 0 | 6 | 3.9 | O=c1c(-c2ccco2)nnc2n(-c3ccccc3)c3ccc(Cl)cc3n12 | 10.1021/jm201177b | ||
| CHEMBL2030708 | 74698 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 362 | 2 | 0 | 6 | 3.9 | O=c1c(-c2ccco2)nnc2n(-c3ccccc3)c3ccc(Cl)cc3n12 | 10.1021/jm201177b | ||
| 49797828 | 10733 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 431 | 6 | 1 | 7 | 3.2 | COC(=O)CN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(F)cc3)sc12 | 10.1016/j.bmcl.2010.05.056 | ||
| CHEMBL1171525 | 10733 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 431 | 6 | 1 | 7 | 3.2 | COC(=O)CN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(F)cc3)sc12 | 10.1016/j.bmcl.2010.05.056 | ||
| 136042343 | 71140 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 501 | 8 | 2 | 9 | 3.6 | CCCn1c(=O)c2[nH]c(-c3cc(OCc4nc5cc(Cl)c(F)cc5[nH]4)no3)nc2n(CCC)c1=O | 10.1021/jm201292w | ||
| CHEMBL1955919 | 71140 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 501 | 8 | 2 | 9 | 3.6 | CCCn1c(=O)c2[nH]c(-c3cc(OCc4nc5cc(Cl)c(F)cc5[nH]4)no3)nc2n(CCC)c1=O | 10.1021/jm201292w | ||
| 54582166 | 60695 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 548 | 7 | 2 | 6 | 5.2 | CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)[C@@H]3CC[C@H](NC(=O)c4cccc(C(F)(F)F)c4)C3)sc12 | 10.1016/j.bmcl.2011.02.053 | ||
| CHEMBL1760888 | 60695 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 548 | 7 | 2 | 6 | 5.2 | CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)[C@@H]3CC[C@H](NC(=O)c4cccc(C(F)(F)F)c4)C3)sc12 | 10.1016/j.bmcl.2011.02.053 | ||
| 54581143 | 60696 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 548 | 7 | 2 | 6 | 5.2 | CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)[C@@H]3CC[C@@H](NC(=O)c4cccc(C(F)(F)F)c4)C3)sc12 | 10.1016/j.bmcl.2011.02.053 | ||
| CHEMBL1760889 | 60696 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 548 | 7 | 2 | 6 | 5.2 | CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)[C@@H]3CC[C@@H](NC(=O)c4cccc(C(F)(F)F)c4)C3)sc12 | 10.1016/j.bmcl.2011.02.053 | ||
| 53248700 | 60704 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 536 | 5 | 2 | 6 | 5.2 | CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)N3CCC(O)(c4cccc(C(F)(F)F)c4)CC3)sc12 | 10.1016/j.bmcl.2011.02.053 | ||
| CHEMBL1760899 | 60704 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 536 | 5 | 2 | 6 | 5.2 | CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)N3CCC(O)(c4cccc(C(F)(F)F)c4)CC3)sc12 | 10.1016/j.bmcl.2011.02.053 | ||
| 156821421 | 186195 | 0 | None | -16 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 443 | 4 | 2 | 9 | 2.4 | Cn1cc(-c2c(-c3ccccc3)nc(N)n3nc([C@H](O)c4ncccc4F)nc23)ccc1=O | 10.1021/acsmedchemlett.1c00620 | ||
| CHEMBL4873266 | 186195 | 0 | None | -16 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 443 | 4 | 2 | 9 | 2.4 | Cn1cc(-c2c(-c3ccccc3)nc(N)n3nc([C@H](O)c4ncccc4F)nc23)ccc1=O | 10.1021/acsmedchemlett.1c00620 | ||
| 145436764 | 161963 | 0 | None | -22 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 329 | 4 | 2 | 8 | 3.6 | Nc1nc(NCc2ccsc2)nc2sc(-c3ccco3)nc12 | 10.1016/j.ejmech.2018.06.020 | ||
| CHEMBL4159215 | 161963 | 0 | None | -22 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 329 | 4 | 2 | 8 | 3.6 | Nc1nc(NCc2ccsc2)nc2sc(-c3ccco3)nc12 | 10.1016/j.ejmech.2018.06.020 | ||
| 135874424 | 95819 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 469 | 8 | 2 | 8 | 2.9 | CCCn1c(=O)c2[nH]c(-c3ccn(CC(=O)Nc4ccc(Cl)cc4)n3)nc2n(CCC)c1=O | 10.1016/j.bmc.2007.11.058 | ||
| CHEMBL258987 | 95819 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 469 | 8 | 2 | 8 | 2.9 | CCCn1c(=O)c2[nH]c(-c3ccn(CC(=O)Nc4ccc(Cl)cc4)n3)nc2n(CCC)c1=O | 10.1016/j.bmc.2007.11.058 | ||
| 136042327 | 71117 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 512 | 8 | 2 | 9 | 3.7 | CCCn1c(=O)c2[nH]c(-c3cc(OCc4nc5cc6ccccc6cc5[nH]4)nn3C)nc2n(CCC)c1=O | 10.1021/jm201292w | ||
| CHEMBL1955893 | 71117 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 512 | 8 | 2 | 9 | 3.7 | CCCn1c(=O)c2[nH]c(-c3cc(OCc4nc5cc6ccccc6cc5[nH]4)nn3C)nc2n(CCC)c1=O | 10.1021/jm201292w | ||
| 135416058 | 490 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 530 | 8 | 1 | 11 | -0.5 | C=CCn1c2=N/C(=c\3/cc([nH]n3C)OCC(=O)N3CCN(CC3)c3ccccc3)/N=c2c(=O)n(c1=O)CC=C | 10.1021/jm0309654 | ||
| 442 | 490 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 530 | 8 | 1 | 11 | -0.5 | C=CCn1c2=N/C(=c\3/cc([nH]n3C)OCC(=O)N3CCN(CC3)c3ccccc3)/N=c2c(=O)n(c1=O)CC=C | 10.1021/jm0309654 | ||
| CHEMBL2113342 | 490 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 530 | 8 | 1 | 11 | -0.5 | C=CCn1c2=N/C(=c\3/cc([nH]n3C)OCC(=O)N3CCN(CC3)c3ccccc3)/N=c2c(=O)n(c1=O)CC=C | 10.1021/jm0309654 | ||
| 5606 | 1631 | 17 | None | -316 | 7 | Rat | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 375 | 5 | 1 | 4 | 3.8 | OCC[C@H]1CCCCN1C(=O)/C=C/c1c(nn2c1cccc2)c1ccccc1 | 10.1021/jm990499b | ||
| 6439091 | 1631 | 17 | None | -316 | 7 | Rat | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 375 | 5 | 1 | 4 | 3.8 | OCC[C@H]1CCCCN1C(=O)/C=C/c1c(nn2c1cccc2)c1ccccc1 | 10.1021/jm990499b | ||
| CHEMBL440115 | 1631 | 17 | None | -316 | 7 | Rat | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 375 | 5 | 1 | 4 | 3.8 | OCC[C@H]1CCCCN1C(=O)/C=C/c1c(nn2c1cccc2)c1ccccc1 | 10.1021/jm990499b | ||
| 145436769 | 162780 | 0 | None | -2041 | 2 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 313 | 4 | 2 | 8 | 3.1 | Nc1nc(NCc2ccco2)nc2sc(-c3ccco3)nc12 | 10.1016/j.ejmech.2018.06.020 | ||
| CHEMBL4172399 | 162780 | 0 | None | -2041 | 2 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 313 | 4 | 2 | 8 | 3.1 | Nc1nc(NCc2ccco2)nc2sc(-c3ccco3)nc12 | 10.1016/j.ejmech.2018.06.020 | ||
| 56950235 | 69750 | 0 | None | -10 | 2 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 403 | 4 | 2 | 8 | 3.5 | COc1ccc(NC(=O)Nc2nc3cn(C)cc3c3nc(-c4ccco4)nn23)cc1 | 10.1016/j.bmc.2011.11.037 | ||
| CHEMBL1935747 | 69750 | 0 | None | -10 | 2 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 403 | 4 | 2 | 8 | 3.5 | COc1ccc(NC(=O)Nc2nc3cn(C)cc3c3nc(-c4ccco4)nn23)cc1 | 10.1016/j.bmc.2011.11.037 | ||
| 57400353 | 69769 | 0 | None | -3 | 2 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 432 | 6 | 2 | 9 | 3.8 | CCCn1cc2nc(NC(=O)Nc3ccc(OC)cc3)n3nc(-c4ccco4)nc3c2n1 | 10.1016/j.bmc.2011.11.037 | ||
| CHEMBL1935765 | 69769 | 0 | None | -3 | 2 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 432 | 6 | 2 | 9 | 3.8 | CCCn1cc2nc(NC(=O)Nc3ccc(OC)cc3)n3nc(-c4ccco4)nc3c2n1 | 10.1016/j.bmc.2011.11.037 | ||
| 45481771 | 197938 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 491 | 8 | 1 | 8 | 5.4 | CCCCn1cc2c(nc(NC(=O)Cc3ccc(-c4ccccc4)cc3)n3nc(-c4ccco4)nc23)n1 | 10.1016/j.bmc.2009.05.038 | ||
| CHEMBL573360 | 197938 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 491 | 8 | 1 | 8 | 5.4 | CCCCn1cc2c(nc(NC(=O)Cc3ccc(-c4ccccc4)cc3)n3nc(-c4ccco4)nc23)n1 | 10.1016/j.bmc.2009.05.038 | ||
| 46883207 | 5947 | 0 | None | 2 | 2 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 347 | 5 | 1 | 7 | 3.3 | O=C(c1ccncc1)c1nc(NCc2cccnc2)nc2ccsc12 | 10.1016/j.bmcl.2009.08.040 | ||
| CHEMBL1080067 | 5947 | 0 | None | 2 | 2 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 347 | 5 | 1 | 7 | 3.3 | O=C(c1ccncc1)c1nc(NCc2cccnc2)nc2ccsc12 | 10.1016/j.bmcl.2009.08.040 | ||
| 135493279 | 100354 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 483 | 9 | 2 | 9 | 2.3 | CCCn1c(=O)c2nc(-c3cc(OCC(=O)Nc4ccc(F)cc4)nn3C)[nH]c2n(CCC)c1=O | 10.1021/jm201292w | ||
| CHEMBL289903 | 100354 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 483 | 9 | 2 | 9 | 2.3 | CCCn1c(=O)c2nc(-c3cc(OCC(=O)Nc4ccc(F)cc4)nn3C)[nH]c2n(CCC)c1=O | 10.1021/jm201292w | ||
| 135493279 | 100354 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 483 | 9 | 2 | 9 | 2.3 | CCCn1c(=O)c2nc(-c3cc(OCC(=O)Nc4ccc(F)cc4)nn3C)[nH]c2n(CCC)c1=O | 10.1021/jm0309654 | ||
| CHEMBL289903 | 100354 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 483 | 9 | 2 | 9 | 2.3 | CCCn1c(=O)c2nc(-c3cc(OCC(=O)Nc4ccc(F)cc4)nn3C)[nH]c2n(CCC)c1=O | 10.1021/jm0309654 | ||
| 45481759 | 198320 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 505 | 8 | 1 | 8 | 5.6 | CC(C)CCn1cc2c(nc(NC(=O)Cc3ccc(-c4ccccc4)cc3)n3nc(-c4ccco4)nc23)n1 | 10.1016/j.bmc.2009.05.038 | ||
| CHEMBL576351 | 198320 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 505 | 8 | 1 | 8 | 5.6 | CC(C)CCn1cc2c(nc(NC(=O)Cc3ccc(-c4ccccc4)cc3)n3nc(-c4ccco4)nc23)n1 | 10.1016/j.bmc.2009.05.038 | ||
| 45481753 | 198840 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 407 | 4 | 1 | 8 | 3.1 | Cn1cc2c(nc(NC(=O)Cc3cccc(Cl)c3)n3nc(-c4ccco4)nc23)n1 | 10.1016/j.bmc.2009.05.038 | ||
| CHEMBL583960 | 198840 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 407 | 4 | 1 | 8 | 3.1 | Cn1cc2c(nc(NC(=O)Cc3cccc(Cl)c3)n3nc(-c4ccco4)nc23)n1 | 10.1016/j.bmc.2009.05.038 | ||
| 56951623 | 71144 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 331 | 5 | 2 | 6 | 1.0 | CCCn1c(=O)c2[nH]c(-c3cc(=O)[nH]n3C)cc2n(CCC)c1=O | 10.1021/jm201292w | ||
| CHEMBL1955923 | 71144 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 331 | 5 | 2 | 6 | 1.0 | CCCn1c(=O)c2[nH]c(-c3cc(=O)[nH]n3C)cc2n(CCC)c1=O | 10.1021/jm201292w | ||
| 156821390 | 185212 | 0 | None | -30 | 2 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 431 | 4 | 2 | 7 | 3.0 | Nc1nc(-c2ccc(F)cc2)c(-c2ccc(=O)[nH]c2)c2nc(Cc3ccc(F)cn3)nn12 | 10.1021/acsmedchemlett.1c00620 | ||
| CHEMBL4858144 | 185212 | 0 | None | -30 | 2 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 431 | 4 | 2 | 7 | 3.0 | Nc1nc(-c2ccc(F)cc2)c(-c2ccc(=O)[nH]c2)c2nc(Cc3ccc(F)cn3)nn12 | 10.1021/acsmedchemlett.1c00620 | ||
| 57398641 | 69747 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 282 | 3 | 1 | 7 | 2.3 | CCCn1cc2nc(N)n3nc(-c4ccco4)nc3c2c1 | 10.1016/j.bmc.2011.11.037 | ||
| CHEMBL1935744 | 69747 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 282 | 3 | 1 | 7 | 2.3 | CCCn1cc2nc(N)n3nc(-c4ccco4)nc3c2c1 | 10.1016/j.bmc.2011.11.037 | ||
| 156821411 | 185675 | 0 | None | -1 | 2 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 373 | 4 | 1 | 8 | 2.6 | Nc1nc(-c2ccccc2)c(-c2ccnnc2)c2nc(CC3CCCO3)nn12 | 10.1021/acsmedchemlett.1c00620 | ||
| CHEMBL4865474 | 185675 | 0 | None | -1 | 2 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 373 | 4 | 1 | 8 | 2.6 | Nc1nc(-c2ccccc2)c(-c2ccnnc2)c2nc(CC3CCCO3)nn12 | 10.1021/acsmedchemlett.1c00620 | ||
| 45482086 | 197843 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 421 | 7 | 1 | 9 | 3.8 | CCCCn1cc2c(nc(NC(=O)Cc3ccsc3)n3nc(-c4ccco4)nc23)n1 | 10.1016/j.bmc.2009.05.038 | ||
| CHEMBL572601 | 197843 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 421 | 7 | 1 | 9 | 3.8 | CCCCn1cc2c(nc(NC(=O)Cc3ccsc3)n3nc(-c4ccco4)nc23)n1 | 10.1016/j.bmc.2009.05.038 | ||
| 57395120 | 69751 | 0 | None | -18 | 2 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 431 | 6 | 2 | 8 | 4.4 | CCCn1cc2nc(NC(=O)Nc3ccc(OC)cc3)n3nc(-c4ccco4)nc3c2c1 | 10.1016/j.bmc.2011.11.037 | ||
| CHEMBL1935748 | 69751 | 0 | None | -18 | 2 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 431 | 6 | 2 | 8 | 4.4 | CCCn1cc2nc(NC(=O)Nc3ccc(OC)cc3)n3nc(-c4ccco4)nc3c2c1 | 10.1016/j.bmc.2011.11.037 | ||
| 145949481 | 162806 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 343 | 4 | 2 | 8 | 3.9 | Cc1ccc(-c2nc3c(N)nc(NCc4cccs4)nc3s2)o1 | 10.1016/j.ejmech.2018.06.020 | ||
| CHEMBL4172715 | 162806 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 343 | 4 | 2 | 8 | 3.9 | Cc1ccc(-c2nc3c(N)nc(NCc4cccs4)nc3s2)o1 | 10.1016/j.ejmech.2018.06.020 | ||
| 45482094 | 197816 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 497 | 7 | 1 | 8 | 4.8 | O=C(Cc1cccc(Cl)c1)Nc1nc2nn(CCc3ccccc3)cc2c2nc(-c3ccco3)nn12 | 10.1016/j.bmc.2009.05.038 | ||
| CHEMBL572386 | 197816 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 497 | 7 | 1 | 8 | 4.8 | O=C(Cc1cccc(Cl)c1)Nc1nc2nn(CCc3ccccc3)cc2c2nc(-c3ccco3)nn12 | 10.1016/j.bmc.2009.05.038 | ||
| 57391695 | 69772 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 337 | 3 | 1 | 8 | 3.0 | Cn1ncc2nc(NC3CCCCC3)n3nc(-c4ccco4)nc3c21 | 10.1016/j.bmc.2011.11.037 | ||
| CHEMBL1935768 | 69772 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 337 | 3 | 1 | 8 | 3.0 | Cn1ncc2nc(NC3CCCCC3)n3nc(-c4ccco4)nc3c21 | 10.1016/j.bmc.2011.11.037 | ||
| 46883070 | 5648 | 0 | None | 1 | 2 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 367 | 5 | 1 | 8 | 3.7 | Cc1ccc(C(=O)c2nc(NCc3ccncn3)nc3ccsc23)s1 | 10.1016/j.bmcl.2009.08.040 | ||
| CHEMBL1077902 | 5648 | 0 | None | 1 | 2 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 367 | 5 | 1 | 8 | 3.7 | Cc1ccc(C(=O)c2nc(NCc3ccncn3)nc3ccsc23)s1 | 10.1016/j.bmcl.2009.08.040 | ||
| 135443378 | 109610 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 623 | 11 | 2 | 9 | 4.9 | CCCn1c(=O)c2nc(-c3cc(NC(=O)Cc4ccc(OCc5ccccc5C(F)(F)F)cc4)nn3C)[nH]c2n(CCC)c1=O | 10.1021/jm0309654 | ||
| CHEMBL32229 | 109610 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 623 | 11 | 2 | 9 | 4.9 | CCCn1c(=O)c2nc(-c3cc(NC(=O)Cc4ccc(OCc5ccccc5C(F)(F)F)cc4)nn3C)[nH]c2n(CCC)c1=O | 10.1021/jm0309654 | ||
| 45481756 | 198185 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 393 | 5 | 1 | 9 | 3.0 | CCn1cc2c(nc(NC(=O)Cc3ccsc3)n3nc(-c4ccco4)nc23)n1 | 10.1016/j.bmc.2009.05.038 | ||
| CHEMBL575198 | 198185 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 393 | 5 | 1 | 9 | 3.0 | CCn1cc2c(nc(NC(=O)Cc3ccsc3)n3nc(-c4ccco4)nc23)n1 | 10.1016/j.bmc.2009.05.038 | ||
| 46883072 | 5671 | 0 | None | -2 | 2 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 380 | 6 | 1 | 7 | 4.3 | Cc1ccc(C(=O)c2nc(NCCc3ccccn3)nc3ccsc23)s1 | 10.1016/j.bmcl.2009.08.040 | ||
| CHEMBL1078085 | 5671 | 0 | None | -2 | 2 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 380 | 6 | 1 | 7 | 4.3 | Cc1ccc(C(=O)c2nc(NCCc3ccccn3)nc3ccsc23)s1 | 10.1016/j.bmcl.2009.08.040 | ||
| 136042349 | 71120 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 480 | 8 | 2 | 9 | 2.7 | CCCn1c(=O)c2[nH]c(-c3cc(OCc4nc5cc(F)ccc5[nH]4)nn3C)nc2n(CCC)c1=O | 10.1021/jm201292w | ||
| CHEMBL1955898 | 71120 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 480 | 8 | 2 | 9 | 2.7 | CCCn1c(=O)c2[nH]c(-c3cc(OCc4nc5cc(F)ccc5[nH]4)nn3C)nc2n(CCC)c1=O | 10.1021/jm201292w | ||
| 135522367 | 110636 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 493 | 8 | 2 | 10 | 2.0 | CCCn1c(=O)c2nc(-c3cc(NC(=O)Cc4ccc5c(c4)OCO5)nn3C)[nH]c2n(CCC)c1=O | 10.1021/jm0309654 | ||
| CHEMBL32591 | 110636 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 493 | 8 | 2 | 10 | 2.0 | CCCn1c(=O)c2nc(-c3cc(NC(=O)Cc4ccc5c(c4)OCO5)nn3C)[nH]c2n(CCC)c1=O | 10.1021/jm0309654 | ||
| 134133787 | 143463 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 397 | 7 | 2 | 9 | 3.6 | COc1ccc(CCNc2nc(N)c3nc(-c4ccco4)sc3n2)cc1OC | 10.1021/acs.jmedchem.6b01068 | ||
| CHEMBL3898647 | 143463 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 397 | 7 | 2 | 9 | 3.6 | COc1ccc(CCNc2nc(N)c3nc(-c4ccco4)sc3n2)cc1OC | 10.1021/acs.jmedchem.6b01068 | ||
| 145436766 | 162503 | 0 | None | -102 | 2 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 324 | 4 | 2 | 8 | 2.9 | Nc1nc(NCc2ccccn2)nc2sc(-c3ccco3)nc12 | 10.1016/j.ejmech.2018.06.020 | ||
| CHEMBL4167813 | 162503 | 0 | None | -102 | 2 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 324 | 4 | 2 | 8 | 2.9 | Nc1nc(NCc2ccccn2)nc2sc(-c3ccco3)nc12 | 10.1016/j.ejmech.2018.06.020 | ||
| 155516071 | 170025 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 389 | 5 | 3 | 8 | 1.4 | NCCC(=O)Nc1ccc(-c2cn3c(=O)n(-c4ccccc4)nc3c(N)n2)cc1 | 10.1021/acs.jmedchem.9b00778 | ||
| CHEMBL4442908 | 170025 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 389 | 5 | 3 | 8 | 1.4 | NCCC(=O)Nc1ccc(-c2cn3c(=O)n(-c4ccccc4)nc3c(N)n2)cc1 | 10.1021/acs.jmedchem.9b00778 | ||
| 10570586 | 189029 | 0 | None | - | 1 | Rat | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 361 | 1 | 2 | 6 | 3.0 | Cc1cccc(-c2nc3c(N)nc(C#CC4(O)CCCCC4)nc3n2C)c1 | 10.1021/jm990499b | ||
| CHEMBL50950 | 189029 | 0 | None | - | 1 | Rat | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 361 | 1 | 2 | 6 | 3.0 | Cc1cccc(-c2nc3c(N)nc(C#CC4(O)CCCCC4)nc3n2C)c1 | 10.1021/jm990499b | ||
| 5606 | 1631 | 17 | None | -38 | 7 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 375 | 5 | 1 | 4 | 3.8 | OCC[C@H]1CCCCN1C(=O)/C=C/c1c(nn2c1cccc2)c1ccccc1 | 10.1021/jm990499b | ||
| 6439091 | 1631 | 17 | None | -38 | 7 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 375 | 5 | 1 | 4 | 3.8 | OCC[C@H]1CCCCN1C(=O)/C=C/c1c(nn2c1cccc2)c1ccccc1 | 10.1021/jm990499b | ||
| CHEMBL440115 | 1631 | 17 | None | -38 | 7 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 375 | 5 | 1 | 4 | 3.8 | OCC[C@H]1CCCCN1C(=O)/C=C/c1c(nn2c1cccc2)c1ccccc1 | 10.1021/jm990499b | ||
| 44587956 | 174748 | 0 | None | - | 0 | Rat | 9.3 | pKd | = | 9.3 | Functional | ChEMBL | 554 | 9 | 3 | 7 | 4.5 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(Br)cc4)cc3)c(O)c2n(CCC)c1=O | 10.1016/j.bmc.2008.09.067 | ||
| CHEMBL456125 | 174748 | 0 | None | - | 0 | Rat | 9.3 | pKd | = | 9.3 | Functional | ChEMBL | 554 | 9 | 3 | 7 | 4.5 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(Br)cc4)cc3)c(O)c2n(CCC)c1=O | 10.1016/j.bmc.2008.09.067 | ||
| 11632785 | 73507 | 0 | None | - | 0 | Human | 8.0 | pKd | = | 8 | Functional | ChEMBL | 404 | 5 | 2 | 6 | 2.3 | Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccccc4)cc3)cc2n(C)c1=O | 10.1021/jm0506221 | ||
| CHEMBL201721 | 73507 | 0 | None | - | 0 | Human | 8.0 | pKd | = | 8 | Functional | ChEMBL | 404 | 5 | 2 | 6 | 2.3 | Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccccc4)cc3)cc2n(C)c1=O | 10.1021/jm0506221 | ||
| 136 | 3267 | 32 | None | - | 1 | Rat | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@@H]1[C@@H](O)CC[C@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1021/jm00360a008 | ||
| 223 | 3267 | 32 | None | - | 1 | Rat | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@@H]1[C@@H](O)CC[C@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1021/jm00360a008 | ||
| 643606 | 3267 | 32 | None | - | 1 | Rat | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@@H]1[C@@H](O)CC[C@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1021/jm00360a008 | ||
| CHEMBL10347 | 3267 | 32 | None | - | 1 | Rat | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@@H]1[C@@H](O)CC[C@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1021/jm00360a008 | ||
| 44574165 | 189443 | 0 | None | - | 0 | Rat | 8.7 | pKd | = | 8.7 | Functional | ChEMBL | 410 | 4 | 2 | 7 | 3.0 | Cn1c(=O)c2[nH]c(-c3ccc(COC(=O)Nc4ccsc4)cc3)cc2n(C)c1=O | 10.1016/j.bmc.2009.03.062 | ||
| CHEMBL513681 | 189443 | 0 | None | - | 0 | Rat | 8.7 | pKd | = | 8.7 | Functional | ChEMBL | 410 | 4 | 2 | 7 | 3.0 | Cn1c(=O)c2[nH]c(-c3ccc(COC(=O)Nc4ccsc4)cc3)cc2n(C)c1=O | 10.1016/j.bmc.2009.03.062 | ||
| 11684443 | 133134 | 0 | None | - | 0 | Human | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 482 | 5 | 2 | 6 | 3.0 | Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(Br)cc4)cc3)cc2n(C)c1=O | 10.1021/jm0506221 | ||
| CHEMBL370378 | 133134 | 0 | None | - | 0 | Human | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 482 | 5 | 2 | 6 | 3.0 | Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(Br)cc4)cc3)cc2n(C)c1=O | 10.1021/jm0506221 | ||
| 11568001 | 72601 | 0 | None | - | 0 | Human | 8.4 | pKd | = | 8.4 | Functional | ChEMBL | 422 | 5 | 2 | 6 | 2.4 | Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(F)cc4)cc3)cc2n(C)c1=O | 10.1021/jm0506221 | ||
| CHEMBL199446 | 72601 | 0 | None | - | 0 | Human | 8.4 | pKd | = | 8.4 | Functional | ChEMBL | 422 | 5 | 2 | 6 | 2.4 | Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(F)cc4)cc3)cc2n(C)c1=O | 10.1021/jm0506221 | ||
| 21874557 | 3965 | 51 | None | - | 0 | Human | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | 321 | 3 | 2 | 8 | 2.0 | Nc1nc(c2ccco2)c2c(n1)n(nn2)Cc1ccc(c(c1)C)N | 10.1021/jm800961g | ||
| 5612 | 3965 | 51 | None | - | 0 | Human | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | 321 | 3 | 2 | 8 | 2.0 | Nc1nc(c2ccco2)c2c(n1)n(nn2)Cc1ccc(c(c1)C)N | 10.1021/jm800961g | ||
| CHEMBL447664 | 3965 | 51 | None | - | 0 | Human | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | 321 | 3 | 2 | 8 | 2.0 | Nc1nc(c2ccco2)c2c(n1)n(nn2)Cc1ccc(c(c1)C)N | 10.1021/jm800961g | ||
| DB06625 | 3965 | 51 | None | - | 0 | Human | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | 321 | 3 | 2 | 8 | 2.0 | Nc1nc(c2ccco2)c2c(n1)n(nn2)Cc1ccc(c(c1)C)N | 10.1021/jm800961g | ||
| 11642035 | 73515 | 0 | None | - | 0 | Human | 8.3 | pKd | = | 8.3 | Functional | ChEMBL | 512 | 6 | 2 | 7 | 3.0 | COc1cc(OCC(=O)Nc2ccc(Br)cc2)ccc1-c1cc2c([nH]1)c(=O)n(C)c(=O)n2C | 10.1021/jm0506221 | ||
| CHEMBL201750 | 73515 | 0 | None | - | 0 | Human | 8.3 | pKd | = | 8.3 | Functional | ChEMBL | 512 | 6 | 2 | 7 | 3.0 | COc1cc(OCC(=O)Nc2ccc(Br)cc2)ccc1-c1cc2c([nH]1)c(=O)n(C)c(=O)n2C | 10.1021/jm0506221 | ||
| 11642035 | 73515 | 0 | None | - | 0 | Human | 8.3 | pKd | = | 8.3 | Functional | ChEMBL | 512 | 6 | 2 | 7 | 3.0 | COc1cc(OCC(=O)Nc2ccc(Br)cc2)ccc1-c1cc2c([nH]1)c(=O)n(C)c(=O)n2C | 10.1021/jm0506221 | ||
| CHEMBL201750 | 73515 | 0 | None | - | 0 | Human | 8.3 | pKd | = | 8.3 | Functional | ChEMBL | 512 | 6 | 2 | 7 | 3.0 | COc1cc(OCC(=O)Nc2ccc(Br)cc2)ccc1-c1cc2c([nH]1)c(=O)n(C)c(=O)n2C | 10.1021/jm0506221 | ||
| 11568001 | 72601 | 0 | None | - | 0 | Human | 8.3 | pKd | = | 8.3 | Functional | ChEMBL | 422 | 5 | 2 | 6 | 2.4 | Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(F)cc4)cc3)cc2n(C)c1=O | 10.1021/jm0506221 | ||
| CHEMBL199446 | 72601 | 0 | None | - | 0 | Human | 8.3 | pKd | = | 8.3 | Functional | ChEMBL | 422 | 5 | 2 | 6 | 2.4 | Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(F)cc4)cc3)cc2n(C)c1=O | 10.1021/jm0506221 | ||
| 11632785 | 73507 | 0 | None | - | 0 | Human | 7.3 | pKd | = | 7.3 | Functional | ChEMBL | 404 | 5 | 2 | 6 | 2.3 | Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccccc4)cc3)cc2n(C)c1=O | 10.1021/jm0506221 | ||
| CHEMBL201721 | 73507 | 0 | None | - | 0 | Human | 7.3 | pKd | = | 7.3 | Functional | ChEMBL | 404 | 5 | 2 | 6 | 2.3 | Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccccc4)cc3)cc2n(C)c1=O | 10.1021/jm0506221 | ||
| 11649145 | 135179 | 0 | None | - | 0 | Human | 8.2 | pKd | = | 8.2 | Functional | ChEMBL | 508 | 8 | 2 | 6 | 4.8 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(-c5ccccc5)cc4)cc3)cc2n(C)c1=O | 10.1021/jm0506221 | ||
| CHEMBL372148 | 135179 | 0 | None | - | 0 | Human | 8.2 | pKd | = | 8.2 | Functional | ChEMBL | 508 | 8 | 2 | 6 | 4.8 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(-c5ccccc5)cc4)cc3)cc2n(C)c1=O | 10.1021/jm0506221 | ||
| 11640539 | 140874 | 0 | None | - | 0 | Human | 8.2 | pKd | = | 8.2 | Functional | ChEMBL | 429 | 5 | 2 | 7 | 2.1 | Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(C#N)cc4)cc3)cc2n(C)c1=O | 10.1021/jm0506221 | ||
| CHEMBL382135 | 140874 | 0 | None | - | 0 | Human | 8.2 | pKd | = | 8.2 | Functional | ChEMBL | 429 | 5 | 2 | 7 | 2.1 | Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(C#N)cc4)cc3)cc2n(C)c1=O | 10.1021/jm0506221 | ||
| 11640539 | 140874 | 0 | None | - | 0 | Human | 8.1 | pKd | = | 8.1 | Functional | ChEMBL | 429 | 5 | 2 | 7 | 2.1 | Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(C#N)cc4)cc3)cc2n(C)c1=O | 10.1021/jm0506221 | ||
| CHEMBL382135 | 140874 | 0 | None | - | 0 | Human | 8.1 | pKd | = | 8.1 | Functional | ChEMBL | 429 | 5 | 2 | 7 | 2.1 | Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(C#N)cc4)cc3)cc2n(C)c1=O | 10.1021/jm0506221 | ||
| 11649145 | 135179 | 0 | None | - | 0 | Human | 8.1 | pKd | = | 8.1 | Functional | ChEMBL | 508 | 8 | 2 | 6 | 4.8 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(-c5ccccc5)cc4)cc3)cc2n(C)c1=O | 10.1021/jm0506221 | ||
| CHEMBL372148 | 135179 | 0 | None | - | 0 | Human | 8.1 | pKd | = | 8.1 | Functional | ChEMBL | 508 | 8 | 2 | 6 | 4.8 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(-c5ccccc5)cc4)cc3)cc2n(C)c1=O | 10.1021/jm0506221 | ||
| 11684443 | 133134 | 0 | None | - | 0 | Human | 8.1 | pKd | = | 8.1 | Functional | ChEMBL | 482 | 5 | 2 | 6 | 3.0 | Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(Br)cc4)cc3)cc2n(C)c1=O | 10.1021/jm0506221 | ||
| CHEMBL370378 | 133134 | 0 | None | - | 0 | Human | 8.1 | pKd | = | 8.1 | Functional | ChEMBL | 482 | 5 | 2 | 6 | 3.0 | Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(Br)cc4)cc3)cc2n(C)c1=O | 10.1021/jm0506221 | ||
| 52950040 | 19128 | 0 | None | - | 0 | Human | 9.4 | pKi | = | 9.4 | Functional | ChEMBL | 523 | 10 | 2 | 5 | 6.1 | CC[C@H](NC(=O)COc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccccc3)c2c1)c1ccccc1 | 10.1016/j.bmcl.2010.10.030 | ||
| CHEMBL1289569 | 19128 | 0 | None | - | 0 | Human | 9.4 | pKi | = | 9.4 | Functional | ChEMBL | 523 | 10 | 2 | 5 | 6.1 | CC[C@H](NC(=O)COc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccccc3)c2c1)c1ccccc1 | 10.1016/j.bmcl.2010.10.030 | ||
| 52945195 | 19147 | 0 | None | - | 0 | Human | 9.4 | pKi | = | 9.4 | Functional | ChEMBL | 525 | 10 | 3 | 6 | 4.7 | O=C(COc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccccc3)c2c1)N[C@@H](CO)c1ccccc1 | 10.1016/j.bmcl.2010.10.030 | ||
| CHEMBL1289676 | 19147 | 0 | None | - | 0 | Human | 9.4 | pKi | = | 9.4 | Functional | ChEMBL | 525 | 10 | 3 | 6 | 4.7 | O=C(COc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccccc3)c2c1)N[C@@H](CO)c1ccccc1 | 10.1016/j.bmcl.2010.10.030 | ||
| 450 | 2949 | 9 | None | - | 0 | Human | 9.3 | pKi | = | 9.3 | Functional | ChEMBL | 525 | 10 | 3 | 6 | 3.6 | CC(=O)NCCNc1nc(nc2c1cc([nH]2)C(=O)N1CCN(CC1)CCCc1ccccc1)c1ccccc1 | 10.1016/j.ejmech.2010.04.039 | ||
| 454 | 2949 | 9 | None | - | 0 | Human | 9.3 | pKi | = | 9.3 | Functional | ChEMBL | 525 | 10 | 3 | 6 | 3.6 | CC(=O)NCCNc1nc(nc2c1cc([nH]2)C(=O)N1CCN(CC1)CCCc1ccccc1)c1ccccc1 | 10.1016/j.ejmech.2010.04.039 | ||
| 5311041 | 2949 | 9 | None | - | 0 | Human | 9.3 | pKi | = | 9.3 | Functional | ChEMBL | 525 | 10 | 3 | 6 | 3.6 | CC(=O)NCCNc1nc(nc2c1cc([nH]2)C(=O)N1CCN(CC1)CCCc1ccccc1)c1ccccc1 | 10.1016/j.ejmech.2010.04.039 | ||
| CHEMBL485862 | 2949 | 9 | None | - | 0 | Human | 9.3 | pKi | = | 9.3 | Functional | ChEMBL | 525 | 10 | 3 | 6 | 3.6 | CC(=O)NCCNc1nc(nc2c1cc([nH]2)C(=O)N1CCN(CC1)CCCc1ccccc1)c1ccccc1 | 10.1016/j.ejmech.2010.04.039 | ||
| 44574165 | 189443 | 0 | None | - | 0 | Human | 9.1 | pKi | = | 9.1 | Functional | ChEMBL | 410 | 4 | 2 | 7 | 3.0 | Cn1c(=O)c2[nH]c(-c3ccc(COC(=O)Nc4ccsc4)cc3)cc2n(C)c1=O | 10.1016/j.ejmech.2017.05.035 | ||
| CHEMBL513681 | 189443 | 0 | None | - | 0 | Human | 9.1 | pKi | = | 9.1 | Functional | ChEMBL | 410 | 4 | 2 | 7 | 3.0 | Cn1c(=O)c2[nH]c(-c3ccc(COC(=O)Nc4ccsc4)cc3)cc2n(C)c1=O | 10.1016/j.ejmech.2017.05.035 | ||
| 66894241 | 157789 | 0 | None | - | 0 | Human | 9.1 | pKi | = | 9.1 | Functional | ChEMBL | 543 | 8 | 1 | 8 | 3.6 | CCCn1c(=O)c2[nH]c(-c3cnn(CC4CC(=O)N(c5ccc(C(F)(F)F)cc5)C4)c3)nc2n(CCC)c1=O | 10.1016/j.ejmech.2021.113907 | ||
| CHEMBL4083317 | 157789 | 0 | None | - | 0 | Human | 9.1 | pKi | = | 9.1 | Functional | ChEMBL | 543 | 8 | 1 | 8 | 3.6 | CCCn1c(=O)c2[nH]c(-c3cnn(CC4CC(=O)N(c5ccc(C(F)(F)F)cc5)C4)c3)nc2n(CCC)c1=O | 10.1016/j.ejmech.2021.113907 | ||
| 66894241 | 157789 | 0 | None | - | 0 | Human | 9.1 | pKi | = | 9.1 | Functional | ChEMBL | 543 | 8 | 1 | 8 | 3.6 | CCCn1c(=O)c2[nH]c(-c3cnn(CC4CC(=O)N(c5ccc(C(F)(F)F)cc5)C4)c3)nc2n(CCC)c1=O | 10.1016/j.ejmech.2016.11.007 | ||
| CHEMBL4083317 | 157789 | 0 | None | - | 0 | Human | 9.1 | pKi | = | 9.1 | Functional | ChEMBL | 543 | 8 | 1 | 8 | 3.6 | CCCn1c(=O)c2[nH]c(-c3cnn(CC4CC(=O)N(c5ccc(C(F)(F)F)cc5)C4)c3)nc2n(CCC)c1=O | 10.1016/j.ejmech.2016.11.007 | ||
| 52946453 | 19191 | 0 | None | - | 0 | Human | 9.0 | pKi | = | 9 | Functional | ChEMBL | 521 | 9 | 2 | 5 | 5.6 | O=C(COc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccccc3)c2c1)NC1(c2ccccc2)CC1 | 10.1016/j.bmcl.2010.10.030 | ||
| CHEMBL1290001 | 19191 | 0 | None | - | 0 | Human | 9.0 | pKi | = | 9 | Functional | ChEMBL | 521 | 9 | 2 | 5 | 5.6 | O=C(COc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccccc3)c2c1)NC1(c2ccccc2)CC1 | 10.1016/j.bmcl.2010.10.030 | ||
| 145958145 | 162053 | 0 | None | - | 0 | Human | 9.0 | pKi | = | 9.0 | Functional | ChEMBL | 606 | 7 | 1 | 9 | 4.5 | CCCn1c(=O)n(C)c(=O)c2[nH]c(-c3ccc(O[C@@H](C)C(=O)N4CCN(c5nc6ccc(Cl)cc6s5)CC4)cc3)cc21 | 10.1016/j.ejmech.2017.05.035 | ||
| CHEMBL4160732 | 162053 | 0 | None | - | 0 | Human | 9.0 | pKi | = | 9.0 | Functional | ChEMBL | 606 | 7 | 1 | 9 | 4.5 | CCCn1c(=O)n(C)c(=O)c2[nH]c(-c3ccc(O[C@@H](C)C(=O)N4CCN(c5nc6ccc(Cl)cc6s5)CC4)cc3)cc21 | 10.1016/j.ejmech.2017.05.035 | ||
| 50925499 | 19204 | 0 | None | - | 0 | Human | 8.9 | pKi | = | 8.9 | Functional | ChEMBL | 523 | 9 | 2 | 5 | 5.9 | CC(C)(NC(=O)COc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccccc3)c2c1)c1ccccc1 | 10.1016/j.bmcl.2010.10.030 | ||
| CHEMBL1290101 | 19204 | 0 | None | - | 0 | Human | 8.9 | pKi | = | 8.9 | Functional | ChEMBL | 523 | 9 | 2 | 5 | 5.9 | CC(C)(NC(=O)COc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccccc3)c2c1)c1ccccc1 | 10.1016/j.bmcl.2010.10.030 | ||
| 3284 | 3194 | 35 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Functional | ChEMBL | 528 | 6 | 2 | 7 | 2.7 | CCCn1c(=O)[nH]c2c(c1=O)[nH]c(n2)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)Cl | 10.1021/acs.jmedchem.0c02169 | ||
| 44185871 | 3194 | 35 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Functional | ChEMBL | 528 | 6 | 2 | 7 | 2.7 | CCCn1c(=O)[nH]c2c(c1=O)[nH]c(n2)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)Cl | 10.1021/acs.jmedchem.0c02169 | ||
| 5728 | 3194 | 35 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Functional | ChEMBL | 528 | 6 | 2 | 7 | 2.7 | CCCn1c(=O)[nH]c2c(c1=O)[nH]c(n2)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)Cl | 10.1021/acs.jmedchem.0c02169 | ||
| CHEMBL483688 | 3194 | 35 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Functional | ChEMBL | 528 | 6 | 2 | 7 | 2.7 | CCCn1c(=O)[nH]c2c(c1=O)[nH]c(n2)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)Cl | 10.1021/acs.jmedchem.0c02169 | ||
| 145971695 | 163004 | 0 | None | - | 0 | Human | 8.9 | pKi | = | 8.9 | Functional | ChEMBL | 496 | 5 | 2 | 6 | 3.4 | C[C@H](Oc1ccc(-c2cc3c([nH]2)c(=O)n(C)c(=O)n3C)cc1)C(=O)Nc1ccc(Br)cc1 | 10.1016/j.ejmech.2017.05.035 | ||
| CHEMBL4175851 | 163004 | 0 | None | - | 0 | Human | 8.9 | pKi | = | 8.9 | Functional | ChEMBL | 496 | 5 | 2 | 6 | 3.4 | C[C@H](Oc1ccc(-c2cc3c([nH]2)c(=O)n(C)c(=O)n3C)cc1)C(=O)Nc1ccc(Br)cc1 | 10.1016/j.ejmech.2017.05.035 | ||
| 3287 | 2624 | 43 | None | - | 0 | Human | 8.9 | pKi | = | 8.9 | Functional | ChEMBL | 503 | 10 | 2 | 8 | 3.6 | CCCn1c2[nH]c(nc2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)C(=O)C | 10.1021/jm990421v | ||
| 5139184 | 2624 | 43 | None | - | 0 | Human | 8.9 | pKi | = | 8.9 | Functional | ChEMBL | 503 | 10 | 2 | 8 | 3.6 | CCCn1c2[nH]c(nc2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)C(=O)C | 10.1021/jm990421v | ||
| CHEMBL17002 | 2624 | 43 | None | - | 0 | Human | 8.9 | pKi | = | 8.9 | Functional | ChEMBL | 503 | 10 | 2 | 8 | 3.6 | CCCn1c2[nH]c(nc2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)C(=O)C | 10.1021/jm990421v | ||
| 3287 | 2624 | 43 | None | - | 0 | Human | 8.9 | pKi | = | 8.9 | Functional | ChEMBL | 503 | 10 | 2 | 8 | 3.6 | CCCn1c2[nH]c(nc2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)C(=O)C | 10.1016/j.ejmech.2010.04.039 | ||
| 5139184 | 2624 | 43 | None | - | 0 | Human | 8.9 | pKi | = | 8.9 | Functional | ChEMBL | 503 | 10 | 2 | 8 | 3.6 | CCCn1c2[nH]c(nc2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)C(=O)C | 10.1016/j.ejmech.2010.04.039 | ||
| CHEMBL17002 | 2624 | 43 | None | - | 0 | Human | 8.9 | pKi | = | 8.9 | Functional | ChEMBL | 503 | 10 | 2 | 8 | 3.6 | CCCn1c2[nH]c(nc2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)C(=O)C | 10.1016/j.ejmech.2010.04.039 | ||
| 9825550 | 57562 | 0 | None | - | 0 | Human | 8.8 | pKi | = | 8.8 | Functional | ChEMBL | 461 | 9 | 2 | 7 | 3.4 | CCCn1c(=O)c2nc(-c3ccc(OCC(=O)Nc4ccccc4)cc3)[nH]c2n(CCC)c1=O | 10.1021/jm990421v | ||
| CHEMBL16677 | 57562 | 0 | None | - | 0 | Human | 8.8 | pKi | = | 8.8 | Functional | ChEMBL | 461 | 9 | 2 | 7 | 3.4 | CCCn1c(=O)c2nc(-c3ccc(OCC(=O)Nc4ccccc4)cc3)[nH]c2n(CCC)c1=O | 10.1021/jm990421v | ||
| 10839296 | 58113 | 1 | None | - | 0 | Human | 8.8 | pKi | = | 8.8 | Functional | ChEMBL | 506 | 10 | 2 | 9 | 3.3 | CCCn1c(=O)c2nc(-c3ccc(OCC(=O)Nc4ccc([N+](=O)[O-])cc4)cc3)[nH]c2n(CCC)c1=O | 10.1021/jm990421v | ||
| CHEMBL16787 | 58113 | 1 | None | - | 0 | Human | 8.8 | pKi | = | 8.8 | Functional | ChEMBL | 506 | 10 | 2 | 9 | 3.3 | CCCn1c(=O)c2nc(-c3ccc(OCC(=O)Nc4ccc([N+](=O)[O-])cc4)cc3)[nH]c2n(CCC)c1=O | 10.1021/jm990421v | ||
| 52943652 | 19220 | 0 | None | - | 0 | Human | 8.8 | pKi | = | 8.8 | Functional | ChEMBL | 509 | 9 | 2 | 5 | 5.7 | C[C@H](NC(=O)COc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccccc3)c2c1)c1ccccc1 | 10.1016/j.bmcl.2010.10.030 | ||
| CHEMBL1290210 | 19220 | 0 | None | - | 0 | Human | 8.8 | pKi | = | 8.8 | Functional | ChEMBL | 509 | 9 | 2 | 5 | 5.7 | C[C@H](NC(=O)COc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccccc3)c2c1)c1ccccc1 | 10.1016/j.bmcl.2010.10.030 | ||
| 9846447 | 58731 | 0 | None | - | 0 | Human | 8.8 | pKi | = | 8.8 | Functional | ChEMBL | 447 | 7 | 2 | 7 | 2.9 | CCn1c(=O)c2nc(-c3ccc(OCC(=O)Nc4ccc(C)cc4)cc3)[nH]c2n(CC)c1=O | 10.1021/jm990421v | ||
| CHEMBL16866 | 58731 | 0 | None | - | 0 | Human | 8.8 | pKi | = | 8.8 | Functional | ChEMBL | 447 | 7 | 2 | 7 | 2.9 | CCn1c(=O)c2nc(-c3ccc(OCC(=O)Nc4ccc(C)cc4)cc3)[nH]c2n(CC)c1=O | 10.1021/jm990421v | ||
| 44236539 | 156768 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Functional | ChEMBL | 460 | 7 | 2 | 8 | 2.3 | CCCn1c(=O)c2[nH]c(-c3cnn(CC#Cc4cccc(C(=O)O)c4)c3)nc2n(CCC)c1=O | 10.1016/j.ejmech.2017.04.014 | ||
| CHEMBL4070936 | 156768 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Functional | ChEMBL | 460 | 7 | 2 | 8 | 2.3 | CCCn1c(=O)c2[nH]c(-c3cnn(CC#Cc4cccc(C(=O)O)c4)c3)nc2n(CCC)c1=O | 10.1016/j.ejmech.2017.04.014 | ||
| 145952391 | 162975 | 0 | None | - | 0 | Human | 8.7 | pKi | = | 8.7 | Functional | ChEMBL | 501 | 5 | 1 | 7 | 2.7 | Cc1ccc(N2CCN(C(=O)[C@H](C)Oc3ccc(-c4cc5c([nH]4)c(=O)n(C)c(=O)n5C)cc3)CC2)cc1 | 10.1016/j.ejmech.2017.05.035 | ||
| CHEMBL4175454 | 162975 | 0 | None | - | 0 | Human | 8.7 | pKi | = | 8.7 | Functional | ChEMBL | 501 | 5 | 1 | 7 | 2.7 | Cc1ccc(N2CCN(C(=O)[C@H](C)Oc3ccc(-c4cc5c([nH]4)c(=O)n(C)c(=O)n5C)cc3)CC2)cc1 | 10.1016/j.ejmech.2017.05.035 | ||
| 44276476 | 168070 | 0 | None | - | 0 | Human | 8.7 | pKi | = | 8.7 | Functional | ChEMBL | 475 | 9 | 2 | 7 | 3.7 | CCCn1c(=O)c2nc(-c3ccc(OCC(=O)Nc4ccc(C)cc4)cc3)[nH]c2n(CCC)c1=O | 10.1021/jm990421v | ||
| CHEMBL432664 | 168070 | 0 | None | - | 0 | Human | 8.7 | pKi | = | 8.7 | Functional | ChEMBL | 475 | 9 | 2 | 7 | 3.7 | CCCn1c(=O)c2nc(-c3ccc(OCC(=O)Nc4ccc(C)cc4)cc3)[nH]c2n(CCC)c1=O | 10.1021/jm990421v | ||
| 449 | 2625 | 52 | None | 1 | 4 | Human | 8.7 | pKi | = | 8.7 | Functional | ChEMBL | 486 | 9 | 2 | 8 | 3.3 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)C#N | 10.1021/jm990421v | ||
| 453 | 2625 | 52 | None | 1 | 4 | Human | 8.7 | pKi | = | 8.7 | Functional | ChEMBL | 486 | 9 | 2 | 8 | 3.3 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)C#N | 10.1021/jm990421v | ||
| 6603931 | 2625 | 52 | None | 1 | 4 | Human | 8.7 | pKi | = | 8.7 | Functional | ChEMBL | 486 | 9 | 2 | 8 | 3.3 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)C#N | 10.1021/jm990421v | ||
| CHEMBL273807 | 2625 | 52 | None | 1 | 4 | Human | 8.7 | pKi | = | 8.7 | Functional | ChEMBL | 486 | 9 | 2 | 8 | 3.3 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)C#N | 10.1021/jm990421v | ||
| 449 | 2625 | 52 | None | 1 | 4 | Human | 8.7 | pKi | = | 8.7 | Functional | ChEMBL | 486 | 9 | 2 | 8 | 3.3 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)C#N | 10.1016/j.ejmech.2010.04.039 | ||
| 453 | 2625 | 52 | None | 1 | 4 | Human | 8.7 | pKi | = | 8.7 | Functional | ChEMBL | 486 | 9 | 2 | 8 | 3.3 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)C#N | 10.1016/j.ejmech.2010.04.039 | ||
| 6603931 | 2625 | 52 | None | 1 | 4 | Human | 8.7 | pKi | = | 8.7 | Functional | ChEMBL | 486 | 9 | 2 | 8 | 3.3 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)C#N | 10.1016/j.ejmech.2010.04.039 | ||
| CHEMBL273807 | 2625 | 52 | None | 1 | 4 | Human | 8.7 | pKi | = | 8.7 | Functional | ChEMBL | 486 | 9 | 2 | 8 | 3.3 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)C#N | 10.1016/j.ejmech.2010.04.039 | ||
| 52948915 | 19263 | 0 | None | - | 0 | Human | 8.0 | pKi | = | 8 | Functional | ChEMBL | 541 | 9 | 2 | 5 | 6.0 | CC(C)(NC(=O)COc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccc(F)cc3)c2c1)c1ccccc1 | 10.1016/j.bmcl.2010.10.030 | ||
| CHEMBL1290437 | 19263 | 0 | None | - | 0 | Human | 8.0 | pKi | = | 8 | Functional | ChEMBL | 541 | 9 | 2 | 5 | 6.0 | CC(C)(NC(=O)COc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccc(F)cc3)c2c1)c1ccccc1 | 10.1016/j.bmcl.2010.10.030 | ||
| 145982075 | 166459 | 0 | None | - | 0 | Human | 6.0 | pKi | = | 6 | Functional | ChEMBL | 379 | 6 | 1 | 9 | 2.8 | CNc1ncc(C(=O)OCc2cccc(OC)c2)c2nc(-c3ccco3)nn12 | 10.1016/j.ejmech.2018.08.042 | ||
| CHEMBL4278340 | 166459 | 0 | None | - | 0 | Human | 6.0 | pKi | = | 6 | Functional | ChEMBL | 379 | 6 | 1 | 9 | 2.8 | CNc1ncc(C(=O)OCc2cccc(OC)c2)c2nc(-c3ccco3)nn12 | 10.1016/j.ejmech.2018.08.042 | ||
| 1329 | 1460 | 86 | None | -9 | 8 | Human | 6.0 | pKi | = | 6 | Functional | ChEMBL | 304 | 5 | 1 | 5 | 2.4 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C1CCCC1 | 10.1016/j.bmc.2009.02.030 | ||
| 386 | 1460 | 86 | None | -9 | 8 | Human | 6.0 | pKi | = | 6 | Functional | ChEMBL | 304 | 5 | 1 | 5 | 2.4 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C1CCCC1 | 10.1016/j.bmc.2009.02.030 | ||
| CHEMBL183 | 1460 | 86 | None | -9 | 8 | Human | 6.0 | pKi | = | 6 | Functional | ChEMBL | 304 | 5 | 1 | 5 | 2.4 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C1CCCC1 | 10.1016/j.bmc.2009.02.030 | ||
| DB12946 | 1460 | 86 | None | -9 | 8 | Human | 6.0 | pKi | = | 6 | Functional | ChEMBL | 304 | 5 | 1 | 5 | 2.4 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C1CCCC1 | 10.1016/j.bmc.2009.02.030 | ||
| 137661874 | 159278 | 0 | None | - | 0 | Human | 6.0 | pKi | = | 6 | Functional | ChEMBL | 405 | 4 | 2 | 7 | 3.0 | COc1ccc(N2CCOCC2)c2sc(NC(=O)C3(C)CCC(O)CC3)nc12 | 10.1021/acs.jmedchem.6b01584 | ||
| CHEMBL4099688 | 159278 | 0 | None | - | 0 | Human | 6.0 | pKi | = | 6 | Functional | ChEMBL | 405 | 4 | 2 | 7 | 3.0 | COc1ccc(N2CCOCC2)c2sc(NC(=O)C3(C)CCC(O)CC3)nc12 | 10.1021/acs.jmedchem.6b01584 | ||
| 145980971 | 166511 | 0 | None | - | 0 | Human | 5.0 | pKi | = | 5 | Functional | ChEMBL | 383 | 5 | 1 | 8 | 3.4 | CNc1ncc(C(=O)OCc2cccc(Cl)c2)c2nc(-c3ccco3)nn12 | 10.1016/j.ejmech.2018.08.042 | ||
| CHEMBL4279340 | 166511 | 0 | None | - | 0 | Human | 5.0 | pKi | = | 5 | Functional | ChEMBL | 383 | 5 | 1 | 8 | 3.4 | CNc1ncc(C(=O)OCc2cccc(Cl)c2)c2nc(-c3ccco3)nn12 | 10.1016/j.ejmech.2018.08.042 | ||
| 145994259 | 167303 | 0 | None | - | 0 | Human | 5.0 | pKi | = | 5 | Functional | ChEMBL | 424 | 6 | 2 | 7 | 3.9 | CNc1ncc(C(=O)NC(c2ccccc2)c2ccccc2)c2nc(-c3ccco3)nn12 | 10.1016/j.ejmech.2018.08.042 | ||
| CHEMBL4294246 | 167303 | 0 | None | - | 0 | Human | 5.0 | pKi | = | 5 | Functional | ChEMBL | 424 | 6 | 2 | 7 | 3.9 | CNc1ncc(C(=O)NC(c2ccccc2)c2ccccc2)c2nc(-c3ccco3)nn12 | 10.1016/j.ejmech.2018.08.042 | ||
| 118707857 | 113208 | 0 | None | - | 0 | Human | 5.0 | pKi | = | 5 | Functional | ChEMBL | 315 | 5 | 1 | 8 | 2.4 | CCOC(=O)c1cnc(NC(C)C)n2nc(-c3ccco3)nc12 | 10.1021/jm500752h | ||
| CHEMBL3314890 | 113208 | 0 | None | - | 0 | Human | 5.0 | pKi | = | 5 | Functional | ChEMBL | 315 | 5 | 1 | 8 | 2.4 | CCOC(=O)c1cnc(NC(C)C)n2nc(-c3ccco3)nc12 | 10.1021/jm500752h | ||
| 118707863 | 113214 | 0 | None | - | 0 | Human | 5.0 | pKi | = | 5 | Functional | ChEMBL | 377 | 6 | 1 | 8 | 3.5 | CCOC(=O)c1cnc(NCc2ccc(C)cc2)n2nc(-c3ccco3)nc12 | 10.1021/jm500752h | ||
| CHEMBL3314896 | 113214 | 0 | None | - | 0 | Human | 5.0 | pKi | = | 5 | Functional | ChEMBL | 377 | 6 | 1 | 8 | 3.5 | CCOC(=O)c1cnc(NCc2ccc(C)cc2)n2nc(-c3ccco3)nc12 | 10.1021/jm500752h | ||
| 155532918 | 171778 | 0 | None | - | 0 | Human | 5.0 | pKi | = | 5 | Functional | ChEMBL | 480 | 6 | 2 | 10 | 4.0 | Cn1cc2c(nc(NCC3CCC(CNC(=O)OC(C)(C)C)CC3)n3nc(-c4ccco4)nc23)n1 | 10.1039/C9MD00014C | ||
| CHEMBL4468152 | 171778 | 0 | None | - | 0 | Human | 5.0 | pKi | = | 5 | Functional | ChEMBL | 480 | 6 | 2 | 10 | 4.0 | Cn1cc2c(nc(NCC3CCC(CNC(=O)OC(C)(C)C)CC3)n3nc(-c4ccco4)nc23)n1 | 10.1039/C9MD00014C | ||
| 52949999 | 19093 | 0 | None | - | 0 | Human | 6.0 | pKi | = | 6.0 | Functional | ChEMBL | 572 | 9 | 1 | 5 | 5.1 | CN(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccc2[nH]c(=O)c(S(C)(=O)=O)c(CCc3ccccc3)c2c1 | 10.1016/j.bmcl.2010.10.030 | ||
| CHEMBL1289343 | 19093 | 0 | None | - | 0 | Human | 6.0 | pKi | = | 6.0 | Functional | ChEMBL | 572 | 9 | 1 | 5 | 5.1 | CN(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccc2[nH]c(=O)c(S(C)(=O)=O)c(CCc3ccccc3)c2c1 | 10.1016/j.bmcl.2010.10.030 | ||
| 11687483 | 162991 | 0 | None | - | 0 | Human | 6.0 | pKi | = | 6.0 | Functional | ChEMBL | 253 | 3 | 1 | 5 | 2.5 | CCCn1c(-c2ccccc2)nc2c(N)ncnc21 | 10.1016/j.ejmech.2018.03.067 | ||
| CHEMBL4175631 | 162991 | 0 | None | - | 0 | Human | 6.0 | pKi | = | 6.0 | Functional | ChEMBL | 253 | 3 | 1 | 5 | 2.5 | CCCn1c(-c2ccccc2)nc2c(N)ncnc21 | 10.1016/j.ejmech.2018.03.067 | ||
| 2519 | 776 | 86 | None | -17378 | 8 | Human | 5.0 | pKi | = | 5.0 | Functional | ChEMBL | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | 10.1016/j.ejmech.2010.04.039 | ||
| 407 | 776 | 86 | None | -17378 | 8 | Human | 5.0 | pKi | = | 5.0 | Functional | ChEMBL | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | 10.1016/j.ejmech.2010.04.039 | ||
| 463 | 776 | 86 | None | -17378 | 8 | Human | 5.0 | pKi | = | 5.0 | Functional | ChEMBL | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | 10.1016/j.ejmech.2010.04.039 | ||
| CHEMBL113 | 776 | 86 | None | -17378 | 8 | Human | 5.0 | pKi | = | 5.0 | Functional | ChEMBL | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | 10.1016/j.ejmech.2010.04.039 | ||
| DB00201 | 776 | 86 | None | -17378 | 8 | Human | 5.0 | pKi | = | 5.0 | Functional | ChEMBL | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | 10.1016/j.ejmech.2010.04.039 | ||
| 44572292 | 171388 | 1 | None | - | 0 | Human | 6.0 | pKi | = | 6.0 | Functional | ChEMBL | 255 | 1 | 1 | 5 | 1.8 | CC(C)n1c(Br)nc2c(N)ncnc21 | 10.1016/j.bmc.2009.02.030 | ||
| CHEMBL446264 | 171388 | 1 | None | - | 0 | Human | 6.0 | pKi | = | 6.0 | Functional | ChEMBL | 255 | 1 | 1 | 5 | 1.8 | CC(C)n1c(Br)nc2c(N)ncnc21 | 10.1016/j.bmc.2009.02.030 | ||
| 123683 | 3099 | 63 | None | -1258 | 5 | Human | 5.0 | pKi | = | 5.0 | Functional | ChEMBL | 510 | 5 | 4 | 9 | 0.4 | CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NCc1cccc(c1)I | 10.1016/j.ejmech.2018.08.042 | ||
| 422 | 3099 | 63 | None | -1258 | 5 | Human | 5.0 | pKi | = | 5.0 | Functional | ChEMBL | 510 | 5 | 4 | 9 | 0.4 | CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NCc1cccc(c1)I | 10.1016/j.ejmech.2018.08.042 | ||
| CHEMBL119709 | 3099 | 63 | None | -1258 | 5 | Human | 5.0 | pKi | = | 5.0 | Functional | ChEMBL | 510 | 5 | 4 | 9 | 0.4 | CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NCc1cccc(c1)I | 10.1016/j.ejmech.2018.08.042 | ||
| DB05511 | 3099 | 63 | None | -1258 | 5 | Human | 5.0 | pKi | = | 5.0 | Functional | ChEMBL | 510 | 5 | 4 | 9 | 0.4 | CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NCc1cccc(c1)I | 10.1016/j.ejmech.2018.08.042 | ||
| 71455624 | 82924 | 0 | None | - | 0 | Human | 6.0 | pKi | = | 6.0 | Functional | ChEMBL | 309 | 3 | 1 | 8 | 2.2 | Cn1cc2c(nc(NC3CCC3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm300899q | ||
| CHEMBL2181159 | 82924 | 0 | None | - | 0 | Human | 6.0 | pKi | = | 6.0 | Functional | ChEMBL | 309 | 3 | 1 | 8 | 2.2 | Cn1cc2c(nc(NC3CCC3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm300899q | ||
| 22002449 | 113194 | 0 | None | - | 0 | Human | 6.0 | pKi | = | 6.0 | Functional | ChEMBL | 273 | 3 | 1 | 8 | 1.1 | CCOC(=O)c1cnc(N)n2nc(-c3ccco3)nc12 | 10.1021/jm500752h | ||
| CHEMBL3314876 | 113194 | 0 | None | - | 0 | Human | 6.0 | pKi | = | 6.0 | Functional | ChEMBL | 273 | 3 | 1 | 8 | 1.1 | CCOC(=O)c1cnc(N)n2nc(-c3ccco3)nc12 | 10.1021/jm500752h | ||
| 823558 | 15212 | 9 | None | - | 0 | Human | 7.0 | pKi | = | 7.0 | Functional | ChEMBL | 271 | 2 | 2 | 6 | 0.8 | COc1ccc2c(C)nc(NC3=NCC(=O)N3)nc2c1 | 10.1016/j.ejmech.2010.04.039 | ||
| CHEMBL1210817 | 15212 | 9 | None | - | 0 | Human | 7.0 | pKi | = | 7.0 | Functional | ChEMBL | 271 | 2 | 2 | 6 | 0.8 | COc1ccc2c(C)nc(NC3=NCC(=O)N3)nc2c1 | 10.1016/j.ejmech.2010.04.039 | ||
| 10475082 | 74 | 23 | None | - | 0 | Human | 5.9 | pKi | = | 5.9 | Functional | ChEMBL | 383 | 4 | 4 | 9 | 0.8 | OC[C@H]1O[C@H]([C@]([C@@H]1O)(C)O)n1cnc2c1nc(Cl)nc2NC1CCCC1 | 10.1016/j.bmc.2007.09.035 | ||
| 5591 | 74 | 23 | None | - | 0 | Human | 5.9 | pKi | = | 5.9 | Functional | ChEMBL | 383 | 4 | 4 | 9 | 0.8 | OC[C@H]1O[C@H]([C@]([C@@H]1O)(C)O)n1cnc2c1nc(Cl)nc2NC1CCCC1 | 10.1016/j.bmc.2007.09.035 | ||
| CHEMBL251997 | 74 | 23 | None | - | 0 | Human | 5.9 | pKi | = | 5.9 | Functional | ChEMBL | 383 | 4 | 4 | 9 | 0.8 | OC[C@H]1O[C@H]([C@]([C@@H]1O)(C)O)n1cnc2c1nc(Cl)nc2NC1CCCC1 | 10.1016/j.bmc.2007.09.035 | ||
| 155562044 | 175746 | 0 | None | - | 0 | Human | 4.9 | pKi | = | 4.9 | Functional | ChEMBL | 426 | 7 | 2 | 10 | 3.0 | Cn1cc2c(nc(NCCCCNC(=O)OC(C)(C)C)n3nc(-c4ccco4)nc23)n1 | 10.1039/C9MD00014C | ||
| CHEMBL4583657 | 175746 | 0 | None | - | 0 | Human | 4.9 | pKi | = | 4.9 | Functional | ChEMBL | 426 | 7 | 2 | 10 | 3.0 | Cn1cc2c(nc(NCCCCNC(=O)OC(C)(C)C)n3nc(-c4ccco4)nc23)n1 | 10.1039/C9MD00014C | ||
| 11681113 | 162234 | 0 | None | - | 0 | Human | 4.9 | pKi | = | 4.9 | Functional | ChEMBL | 309 | 4 | 1 | 6 | 2.7 | CCn1c(-c2ccccc2)nc2c(NC3CCOC3)ncnc21 | 10.1016/j.ejmech.2018.03.067 | ||
| CHEMBL4163630 | 162234 | 0 | None | - | 0 | Human | 4.9 | pKi | = | 4.9 | Functional | ChEMBL | 309 | 4 | 1 | 6 | 2.7 | CCn1c(-c2ccccc2)nc2c(NC3CCOC3)ncnc21 | 10.1016/j.ejmech.2018.03.067 | ||
| 118707845 | 113195 | 0 | None | - | 0 | Human | 5.9 | pKi | = | 5.9 | Functional | ChEMBL | 377 | 4 | 3 | 7 | 2.4 | CNC(=O)c1cnc(NC(=O)Nc2ccccc2)n2nc(-c3ccco3)nc12 | 10.1021/jm500752h | ||
| CHEMBL3314877 | 113195 | 0 | None | - | 0 | Human | 5.9 | pKi | = | 5.9 | Functional | ChEMBL | 377 | 4 | 3 | 7 | 2.4 | CNC(=O)c1cnc(NC(=O)Nc2ccccc2)n2nc(-c3ccco3)nc12 | 10.1021/jm500752h | ||
| 44572295 | 189018 | 0 | None | - | 0 | Human | 5.9 | pKi | = | 5.9 | Functional | ChEMBL | 269 | 2 | 1 | 5 | 2.1 | CCC(C)n1c(Br)nc2c(N)ncnc21 | 10.1016/j.bmc.2009.02.030 | ||
| CHEMBL509367 | 189018 | 0 | None | - | 0 | Human | 5.9 | pKi | = | 5.9 | Functional | ChEMBL | 269 | 2 | 1 | 5 | 2.1 | CCC(C)n1c(Br)nc2c(N)ncnc21 | 10.1016/j.bmc.2009.02.030 | ||
| 44447535 | 94977 | 0 | None | - | 0 | Human | 4.9 | pKi | = | 4.9 | Functional | ChEMBL | 458 | 5 | 4 | 11 | 0.2 | CNC(=S)OC[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCOC4)nc(Cl)nc32)[C@](C)(O)[C@@H]1O | 10.1016/j.bmc.2007.09.035 | ||
| CHEMBL254896 | 94977 | 0 | None | - | 0 | Human | 4.9 | pKi | = | 4.9 | Functional | ChEMBL | 458 | 5 | 4 | 11 | 0.2 | CNC(=S)OC[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCOC4)nc(Cl)nc32)[C@](C)(O)[C@@H]1O | 10.1016/j.bmc.2007.09.035 | ||
| 71457390 | 82894 | 0 | None | - | 0 | Human | 4.9 | pKi | = | 4.9 | Functional | ChEMBL | 359 | 4 | 1 | 8 | 3.4 | C[C@@H](Nc1nc2nn(C)cc2c2nc(-c3ccco3)nn12)c1ccccc1 | 10.1021/jm300899q | ||
| CHEMBL2180932 | 82894 | 0 | None | - | 0 | Human | 4.9 | pKi | = | 4.9 | Functional | ChEMBL | 359 | 4 | 1 | 8 | 3.4 | C[C@@H](Nc1nc2nn(C)cc2c2nc(-c3ccco3)nn12)c1ccccc1 | 10.1021/jm300899q | ||
| 49863226 | 15186 | 0 | None | - | 0 | Human | 5.9 | pKi | = | 5.9 | Functional | ChEMBL | 311 | 3 | 1 | 9 | 0.6 | Nc1nc(-n2cncn2)c2nnn(Cc3ccccc3F)c2n1 | 10.1016/j.ejmech.2010.04.039 | ||
| CHEMBL1210734 | 15186 | 0 | None | - | 0 | Human | 5.9 | pKi | = | 5.9 | Functional | ChEMBL | 311 | 3 | 1 | 9 | 0.6 | Nc1nc(-n2cncn2)c2nnn(Cc3ccccc3F)c2n1 | 10.1016/j.ejmech.2010.04.039 | ||
| 22002364 | 113189 | 0 | None | - | 0 | Human | 4.9 | pKi | = | 4.9 | Functional | ChEMBL | 423 | 8 | 1 | 10 | 3.2 | CCOC(=O)c1cnc(NCc2ccc(OC)c(OC)c2)n2nc(-c3ccco3)nc12 | 10.1021/jm500752h | ||
| CHEMBL3314871 | 113189 | 0 | None | - | 0 | Human | 4.9 | pKi | = | 4.9 | Functional | ChEMBL | 423 | 8 | 1 | 10 | 3.2 | CCOC(=O)c1cnc(NCc2ccc(OC)c(OC)c2)n2nc(-c3ccco3)nc12 | 10.1021/jm500752h | ||
| 11659363 | 162694 | 0 | None | - | 0 | Human | 4.9 | pKi | = | 4.9 | Functional | ChEMBL | 295 | 3 | 1 | 6 | 2.2 | Cn1c(-c2ccccc2)nc2c(NC3CCOC3)ncnc21 | 10.1016/j.ejmech.2018.03.067 | ||
| CHEMBL4170873 | 162694 | 0 | None | - | 0 | Human | 4.9 | pKi | = | 4.9 | Functional | ChEMBL | 295 | 3 | 1 | 6 | 2.2 | Cn1c(-c2ccccc2)nc2c(NC3CCOC3)ncnc21 | 10.1016/j.ejmech.2018.03.067 | ||
| 11568203 | 96215 | 0 | None | - | 0 | Human | 7.9 | pKi | = | 7.9 | Functional | ChEMBL | 432 | 5 | 1 | 7 | 2.8 | CCCn1c(=O)c2[nH]c(-c3cnn(Cc4cccc(C(F)(F)F)c4)c3)nc2n(C)c1=O | 10.1016/j.ejmech.2010.04.039 | ||
| CHEMBL260975 | 96215 | 0 | None | - | 0 | Human | 7.9 | pKi | = | 7.9 | Functional | ChEMBL | 432 | 5 | 1 | 7 | 2.8 | CCCn1c(=O)c2[nH]c(-c3cnn(Cc4cccc(C(F)(F)F)c4)c3)nc2n(C)c1=O | 10.1016/j.ejmech.2010.04.039 | ||
| 66892244 | 158908 | 0 | None | - | 0 | Human | 7.9 | pKi | = | 7.9 | Functional | ChEMBL | 491 | 8 | 1 | 9 | 2.2 | CCCn1c(=O)c2[nH]c(-c3cnn(CC4CC(=O)N(c5ccc(OC)cc5)C4)c3)nc2n(CC)c1=O | 10.1016/j.ejmech.2016.11.007 | ||
| CHEMBL4095686 | 158908 | 0 | None | - | 0 | Human | 7.9 | pKi | = | 7.9 | Functional | ChEMBL | 491 | 8 | 1 | 9 | 2.2 | CCCn1c(=O)c2[nH]c(-c3cnn(CC4CC(=O)N(c5ccc(OC)cc5)C4)c3)nc2n(CC)c1=O | 10.1016/j.ejmech.2016.11.007 | ||
| 71412032 | 138247 | 4 | None | - | 0 | Human | 6.9 | pKi | = | 6.9 | Functional | ChEMBL | 294 | 4 | 4 | 9 | -1.4 | CCNC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O | 10.1021/acs.jmedchem.5b00828 | ||
| CHEMBL3770601 | 138247 | 4 | None | - | 0 | Human | 6.9 | pKi | = | 6.9 | Functional | ChEMBL | 294 | 4 | 4 | 9 | -1.4 | CCNC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O | 10.1021/acs.jmedchem.5b00828 | ||
| 541903 | 57917 | 1 | None | - | 0 | Human | 6.9 | pKi | = | 6.9 | Functional | ChEMBL | 382 | 8 | 2 | 7 | 1.4 | C=CCn1c(=O)c2nc(-c3ccc(OCC(=O)O)cc3)[nH]c2n(CC=C)c1=O | 10.1021/jm990421v | ||
| CHEMBL16724 | 57917 | 1 | None | - | 0 | Human | 6.9 | pKi | = | 6.9 | Functional | ChEMBL | 382 | 8 | 2 | 7 | 1.4 | C=CCn1c(=O)c2nc(-c3ccc(OCC(=O)O)cc3)[nH]c2n(CC=C)c1=O | 10.1021/jm990421v | ||
| 11529450 | 162753 | 0 | None | - | 0 | Human | 5.8 | pKi | = | 5.8 | Functional | ChEMBL | 293 | 4 | 1 | 5 | 3.5 | CCn1c(-c2ccccc2)nc2c(NC3CCC3)ncnc21 | 10.1016/j.ejmech.2018.03.067 | ||
| CHEMBL4171919 | 162753 | 0 | None | - | 0 | Human | 5.8 | pKi | = | 5.8 | Functional | ChEMBL | 293 | 4 | 1 | 5 | 3.5 | CCn1c(-c2ccccc2)nc2c(NC3CCC3)ncnc21 | 10.1016/j.ejmech.2018.03.067 | ||
| 18440405 | 136594 | 0 | None | - | 0 | Human | 5.8 | pKi | = | 5.8 | Functional | ChEMBL | 374 | 6 | 2 | 6 | 3.2 | CCCn1c(Br)nc2c(N)nc(NCCc3ccccc3)nc21 | 10.1039/C5MD00034C | ||
| CHEMBL3739795 | 136594 | 0 | None | - | 0 | Human | 5.8 | pKi | = | 5.8 | Functional | ChEMBL | 374 | 6 | 2 | 6 | 3.2 | CCCn1c(Br)nc2c(N)nc(NCCc3ccccc3)nc21 | 10.1039/C5MD00034C | ||
| 52943652 | 19220 | 0 | None | - | 0 | Human | 7.8 | pKi | = | 7.8 | Functional | ChEMBL | 509 | 9 | 2 | 5 | 5.7 | C[C@H](NC(=O)COc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccccc3)c2c1)c1ccccc1 | 10.1016/j.bmcl.2010.10.030 | ||
| CHEMBL1290210 | 19220 | 0 | None | - | 0 | Human | 7.8 | pKi | = | 7.8 | Functional | ChEMBL | 509 | 9 | 2 | 5 | 5.7 | C[C@H](NC(=O)COc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccccc3)c2c1)c1ccccc1 | 10.1016/j.bmcl.2010.10.030 | ||
| 9871761 | 59453 | 0 | None | - | 0 | Human | 7.8 | pKi | = | 7.8 | Functional | ChEMBL | 533 | 11 | 4 | 9 | 1.2 | CCn1c(=O)c2nc(-c3ccc(OCC(=O)Nc4ccc(CC(=O)NCCN)cc4)cc3)[nH]c2n(CC)c1=O | 10.1021/jm990421v | ||
| CHEMBL17141 | 59453 | 0 | None | - | 0 | Human | 7.8 | pKi | = | 7.8 | Functional | ChEMBL | 533 | 11 | 4 | 9 | 1.2 | CCn1c(=O)c2nc(-c3ccc(OCC(=O)Nc4ccc(CC(=O)NCCN)cc4)cc3)[nH]c2n(CC)c1=O | 10.1021/jm990421v | ||
| 11610869 | 80227 | 0 | None | - | 0 | Human | 6.8 | pKi | = | 6.8 | Functional | ChEMBL | 393 | 5 | 3 | 8 | -1.0 | Cn1c(=O)c2nc(-c3ccc(S(=O)(=O)NCC(=O)O)cc3)[nH]c2n(C)c1=O | 10.1016/j.ejmech.2010.04.039 | ||
| CHEMBL213878 | 80227 | 0 | None | - | 0 | Human | 6.8 | pKi | = | 6.8 | Functional | ChEMBL | 393 | 5 | 3 | 8 | -1.0 | Cn1c(=O)c2nc(-c3ccc(S(=O)(=O)NCC(=O)O)cc3)[nH]c2n(C)c1=O | 10.1016/j.ejmech.2010.04.039 | ||
| 9935943 | 58995 | 0 | None | - | 0 | Human | 7.8 | pKi | = | 7.8 | Functional | ChEMBL | 505 | 10 | 3 | 8 | 3.1 | CCCn1c(=O)c2nc(-c3ccc(OCC(=O)Nc4ccc(C(=O)O)cc4)cc3)[nH]c2n(CCC)c1=O | 10.1021/jm990421v | ||
| CHEMBL16931 | 58995 | 0 | None | - | 0 | Human | 7.8 | pKi | = | 7.8 | Functional | ChEMBL | 505 | 10 | 3 | 8 | 3.1 | CCCn1c(=O)c2nc(-c3ccc(OCC(=O)Nc4ccc(C(=O)O)cc4)cc3)[nH]c2n(CCC)c1=O | 10.1021/jm990421v | ||
| 541615 | 97497 | 1 | None | - | 0 | Human | 7.8 | pKi | = | 7.8 | Functional | ChEMBL | 385 | 8 | 2 | 7 | 1.2 | CCCn1c(=O)c2nc(-c3ccc(OCC(N)=O)cc3)[nH]c2n(CCC)c1=O | 10.1021/jm990421v | ||
| CHEMBL27043 | 97497 | 1 | None | - | 0 | Human | 7.8 | pKi | = | 7.8 | Functional | ChEMBL | 385 | 8 | 2 | 7 | 1.2 | CCCn1c(=O)c2nc(-c3ccc(OCC(N)=O)cc3)[nH]c2n(CCC)c1=O | 10.1021/jm990421v | ||
| 10839228 | 59835 | 0 | None | - | 0 | Human | 7.8 | pKi | = | 7.8 | Functional | ChEMBL | 504 | 8 | 2 | 8 | 2.1 | CCCn1c(=O)c2nc(-c3ccc(/C=C/C(=O)NN4C(=O)C(C)=C(C)C4=O)cc3)[nH]c2n(CCC)c1=O | 10.1021/jm990421v | ||
| CHEMBL17294 | 59835 | 0 | None | - | 0 | Human | 7.8 | pKi | = | 7.8 | Functional | ChEMBL | 504 | 8 | 2 | 8 | 2.1 | CCCn1c(=O)c2nc(-c3ccc(/C=C/C(=O)NN4C(=O)C(C)=C(C)C4=O)cc3)[nH]c2n(CCC)c1=O | 10.1021/jm990421v | ||
| 414707 | 203617 | 13 | None | - | 0 | Human | 4.8 | pKi | = | 4.8 | Functional | ChEMBL | 177 | 1 | 1 | 5 | 1.0 | CC(C)n1cnc2c(N)ncnc21 | 10.1016/j.bmc.2009.02.030 | ||
| CHEMBL67199 | 203617 | 13 | None | - | 0 | Human | 4.8 | pKi | = | 4.8 | Functional | ChEMBL | 177 | 1 | 1 | 5 | 1.0 | CC(C)n1cnc2c(N)ncnc21 | 10.1016/j.bmc.2009.02.030 | ||
| 118707866 | 113217 | 0 | None | - | 0 | Human | 5.8 | pKi | = | 5.8 | Functional | ChEMBL | 397 | 6 | 1 | 8 | 3.8 | CCOC(=O)c1cnc(NCc2ccc(Cl)cc2)n2nc(-c3ccco3)nc12 | 10.1021/jm500752h | ||
| CHEMBL3314899 | 113217 | 0 | None | - | 0 | Human | 5.8 | pKi | = | 5.8 | Functional | ChEMBL | 397 | 6 | 1 | 8 | 3.8 | CCOC(=O)c1cnc(NCc2ccc(Cl)cc2)n2nc(-c3ccco3)nc12 | 10.1021/jm500752h | ||
| 317946 | 15185 | 4 | None | - | 0 | Human | 5.8 | pKi | = | 5.8 | Functional | ChEMBL | 272 | 1 | 1 | 7 | 0.3 | Cn1c(=O)c2c(nc(-c3ccccc3)n2O)n(C)c1=O | 10.1016/j.ejmech.2010.04.039 | ||
| CHEMBL1210733 | 15185 | 4 | None | - | 0 | Human | 5.8 | pKi | = | 5.8 | Functional | ChEMBL | 272 | 1 | 1 | 7 | 0.3 | Cn1c(=O)c2c(nc(-c3ccccc3)n2O)n(C)c1=O | 10.1016/j.ejmech.2010.04.039 | ||
| 52950206 | 19079 | 0 | None | - | 0 | Human | 5.8 | pKi | = | 5.8 | Functional | ChEMBL | 476 | 8 | 2 | 5 | 3.7 | CS(=O)(=O)c1c(CCc2ccccc2)c2cc(OCC(=O)Nc3ccccc3)ccc2[nH]c1=O | 10.1016/j.bmcl.2010.10.030 | ||
| CHEMBL1289228 | 19079 | 0 | None | - | 0 | Human | 5.8 | pKi | = | 5.8 | Functional | ChEMBL | 476 | 8 | 2 | 5 | 3.7 | CS(=O)(=O)c1c(CCc2ccccc2)c2cc(OCC(=O)Nc3ccccc3)ccc2[nH]c1=O | 10.1016/j.bmcl.2010.10.030 | ||
| 52946113 | 19239 | 0 | None | - | 0 | Human | 7.8 | pKi | = | 7.8 | Functional | ChEMBL | 522 | 8 | 3 | 4 | 6.2 | CC(C)(NC(=O)NCc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccccc3)c2c1)c1ccccc1 | 10.1016/j.bmcl.2010.10.030 | ||
| CHEMBL1290323 | 19239 | 0 | None | - | 0 | Human | 7.8 | pKi | = | 7.8 | Functional | ChEMBL | 522 | 8 | 3 | 4 | 6.2 | CC(C)(NC(=O)NCc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccccc3)c2c1)c1ccccc1 | 10.1016/j.bmcl.2010.10.030 | ||
| CHEMBL5080823 | 214684 | 0 | None | - | 0 | Human | 7.8 | pKi | = | 7.8 | Functional | ChEMBL | None | None | None | CCCn1c(=O)c2nc(C34CCC(C(=O)NCCCN=[N+]=[N-])(CC3)CC4)[nH]c2n(CCCNC(=O)c2ccc(S(=O)(=O)F)cc2)c1=O | 10.1021/acs.jmedchem.0c02169 | ||||
| 247436 | 180223 | 30 | None | - | 0 | Human | 5.8 | pKi | = | 5.8 | Functional | ChEMBL | 177 | 2 | 1 | 5 | 0.8 | CCCn1cnc2c(N)ncnc21 | 10.1016/j.bmc.2009.02.030 | ||
| 247436 | 180223 | 30 | None | - | 0 | Human | 5.8 | pKi | = | 5.8 | Functional | ChEMBL | 177 | 2 | 1 | 5 | 0.8 | CCCn1cnc2c(N)ncnc21 | 10.1039/C5MD00034C | ||
| CHEMBL475023 | 180223 | 30 | None | - | 0 | Human | 5.8 | pKi | = | 5.8 | Functional | ChEMBL | 177 | 2 | 1 | 5 | 0.8 | CCCn1cnc2c(N)ncnc21 | 10.1016/j.bmc.2009.02.030 | ||
| CHEMBL475023 | 180223 | 30 | None | - | 0 | Human | 5.8 | pKi | = | 5.8 | Functional | ChEMBL | 177 | 2 | 1 | 5 | 0.8 | CCCn1cnc2c(N)ncnc21 | 10.1039/C5MD00034C | ||
| 452612 | 174479 | 16 | None | - | 0 | Human | 4.8 | pKi | = | 4.8 | Functional | ChEMBL | 189 | 1 | 1 | 5 | 1.1 | Nc1ncnc2c1ncn2C1CCC1 | 10.1016/j.bmc.2009.02.030 | ||
| CHEMBL455493 | 174479 | 16 | None | - | 0 | Human | 4.8 | pKi | = | 4.8 | Functional | ChEMBL | 189 | 1 | 1 | 5 | 1.1 | Nc1ncnc2c1ncn2C1CCC1 | 10.1016/j.bmc.2009.02.030 | ||
| 52947452 | 19280 | 0 | None | - | 0 | Human | 6.8 | pKi | = | 6.8 | Functional | ChEMBL | 558 | 9 | 2 | 5 | 4.7 | CS(=O)(=O)c1c(CCc2ccccc2)c2cc(OCC(=O)NCc3ccc(Cl)c(Cl)c3)ccc2[nH]c1=O | 10.1016/j.bmcl.2010.10.030 | ||
| CHEMBL1290543 | 19280 | 0 | None | - | 0 | Human | 6.8 | pKi | = | 6.8 | Functional | ChEMBL | 558 | 9 | 2 | 5 | 4.7 | CS(=O)(=O)c1c(CCc2ccccc2)c2cc(OCC(=O)NCc3ccc(Cl)c(Cl)c3)ccc2[nH]c1=O | 10.1016/j.bmcl.2010.10.030 | ||
| 1892 | 204022 | 78 | None | - | 0 | Human | 4.8 | pKi | = | 4.8 | Functional | ChEMBL | 224 | 2 | 1 | 7 | -1.6 | Cn1c(=O)c2c(ncn2CCO)n(C)c1=O | 10.1016/j.ejmech.2010.04.039 | ||
| CHEMBL699 | 204022 | 78 | None | - | 0 | Human | 4.8 | pKi | = | 4.8 | Functional | ChEMBL | 224 | 2 | 1 | 7 | -1.6 | Cn1c(=O)c2c(ncn2CCO)n(C)c1=O | 10.1016/j.ejmech.2010.04.039 | ||
| 127038356 | 136685 | 0 | None | - | 0 | Human | 5.8 | pKi | = | 5.8 | Functional | ChEMBL | 360 | 5 | 2 | 6 | 3.2 | CCCn1c(Br)nc2c(N)nc(NCc3ccccc3)nc21 | 10.1039/C5MD00034C | ||
| CHEMBL3740631 | 136685 | 0 | None | - | 0 | Human | 5.8 | pKi | = | 5.8 | Functional | ChEMBL | 360 | 5 | 2 | 6 | 3.2 | CCCn1c(Br)nc2c(N)nc(NCc3ccccc3)nc21 | 10.1039/C5MD00034C | ||
| 71462774 | 82923 | 0 | None | - | 0 | Human | 5.8 | pKi | = | 5.8 | Functional | ChEMBL | 295 | 3 | 1 | 8 | 1.8 | Cn1cc2c(nc(NC3CC3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm300899q | ||
| CHEMBL2181158 | 82923 | 0 | None | - | 0 | Human | 5.8 | pKi | = | 5.8 | Functional | ChEMBL | 295 | 3 | 1 | 8 | 1.8 | Cn1cc2c(nc(NC3CC3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm300899q | ||
| 10624626 | 163113 | 0 | None | - | 0 | Human | 5.8 | pKi | = | 5.8 | Functional | ChEMBL | 482 | 8 | 2 | 7 | 3.1 | O=C(O)COc1ccc(-c2nc3c(=O)n(Cc4ccccc4)c(=O)n(Cc4ccccc4)c3[nH]2)cc1 | 10.1021/jm990421v | ||
| CHEMBL417812 | 163113 | 0 | None | - | 0 | Human | 5.8 | pKi | = | 5.8 | Functional | ChEMBL | 482 | 8 | 2 | 7 | 3.1 | O=C(O)COc1ccc(-c2nc3c(=O)n(Cc4ccccc4)c(=O)n(Cc4ccccc4)c3[nH]2)cc1 | 10.1021/jm990421v | ||
| 127042993 | 136606 | 0 | None | - | 0 | Human | 5.8 | pKi | = | 5.8 | Functional | ChEMBL | 333 | 6 | 1 | 6 | 4.1 | CCCn1c(-c2ccco2)nc2c(NCc3ccccc3)ncnc21 | 10.1039/C5MD00034C | ||
| CHEMBL3739903 | 136606 | 0 | None | - | 0 | Human | 5.8 | pKi | = | 5.8 | Functional | ChEMBL | 333 | 6 | 1 | 6 | 4.1 | CCCn1c(-c2ccco2)nc2c(NCc3ccccc3)ncnc21 | 10.1039/C5MD00034C | ||
| 127042996 | 136729 | 0 | None | - | 0 | Human | 5.8 | pKi | = | 5.8 | Functional | ChEMBL | 373 | 7 | 1 | 5 | 4.0 | CCCn1c(Br)nc2c(NCCCc3ccccc3)ncnc21 | 10.1039/C5MD00034C | ||
| CHEMBL3741012 | 136729 | 0 | None | - | 0 | Human | 5.8 | pKi | = | 5.8 | Functional | ChEMBL | 373 | 7 | 1 | 5 | 4.0 | CCCn1c(Br)nc2c(NCCCc3ccccc3)ncnc21 | 10.1039/C5MD00034C | ||
| 2840092 | 201026 | 43 | None | - | 0 | Human | 5.8 | pKi | = | 5.8 | Functional | ChEMBL | 245 | 3 | 3 | 4 | 1.6 | CCOc1cccc2c(C)nc(NC(=N)N)nc12 | 10.1016/j.ejmech.2010.04.039 | ||
| CHEMBL602578 | 201026 | 43 | None | - | 0 | Human | 5.8 | pKi | = | 5.8 | Functional | ChEMBL | 245 | 3 | 3 | 4 | 1.6 | CCOc1cccc2c(C)nc(NC(=N)N)nc12 | 10.1016/j.ejmech.2010.04.039 | ||
| 135438480 | 162894 | 0 | None | - | 1 | Human | 4.8 | pKi | = | 4.8 | Functional | ChEMBL | 309 | 3 | 2 | 6 | 3.1 | Cn1c(-c2ccc(O)cc2)nc2c(NC3CCCC3)ncnc21 | 10.1016/j.ejmech.2018.03.067 | ||
| CHEMBL4174108 | 162894 | 0 | None | - | 1 | Human | 4.8 | pKi | = | 4.8 | Functional | ChEMBL | 309 | 3 | 2 | 6 | 3.1 | Cn1c(-c2ccc(O)cc2)nc2c(NC3CCCC3)ncnc21 | 10.1016/j.ejmech.2018.03.067 | ||
| 135610070 | 72272 | 0 | None | - | 0 | Human | 7.8 | pKi | = | 7.8 | Functional | ChEMBL | 377 | 8 | 2 | 9 | 0.8 | CCCn1c(=O)c2nc(-c3cc(OCC(=O)O)no3)[nH]c2n(CCC)c1=O | 10.1021/jm049418o | ||
| CHEMBL198326 | 72272 | 0 | None | - | 0 | Human | 7.8 | pKi | = | 7.8 | Functional | ChEMBL | 377 | 8 | 2 | 9 | 0.8 | CCCn1c(=O)c2nc(-c3cc(OCC(=O)O)no3)[nH]c2n(CCC)c1=O | 10.1021/jm049418o | ||
| 52947301 | 18947 | 0 | None | - | 0 | Human | 6.7 | pKi | = | 6.7 | Functional | ChEMBL | 517 | 9 | 2 | 4 | 5.8 | CC(C)(NC(=O)COc1ccc2[nH]c(=O)c(-c3cccnc3)c(CCc3ccccc3)c2c1)c1ccccc1 | 10.1016/j.bmcl.2010.10.030 | ||
| CHEMBL1287832 | 18947 | 0 | None | - | 0 | Human | 6.7 | pKi | = | 6.7 | Functional | ChEMBL | 517 | 9 | 2 | 4 | 5.8 | CC(C)(NC(=O)COc1ccc2[nH]c(=O)c(-c3cccnc3)c(CCc3ccccc3)c2c1)c1ccccc1 | 10.1016/j.bmcl.2010.10.030 | ||
| 127042997 | 136856 | 0 | None | - | 0 | Human | 5.7 | pKi | = | 5.7 | Functional | ChEMBL | 361 | 8 | 1 | 6 | 4.5 | CCCn1c(-c2ccco2)nc2c(NCCCc3ccccc3)ncnc21 | 10.1039/C5MD00034C | ||
| CHEMBL3742158 | 136856 | 0 | None | - | 0 | Human | 5.7 | pKi | = | 5.7 | Functional | ChEMBL | 361 | 8 | 1 | 6 | 4.5 | CCCn1c(-c2ccco2)nc2c(NCCCc3ccccc3)ncnc21 | 10.1039/C5MD00034C | ||
| 118707851 | 113201 | 0 | None | - | 0 | Human | 5.7 | pKi | = | 5.7 | Functional | ChEMBL | 392 | 5 | 2 | 8 | 3.2 | CCOC(=O)c1cnc(NC(=O)Nc2ccccc2)n2nc(-c3ccco3)nc12 | 10.1021/jm500752h | ||
| CHEMBL3314883 | 113201 | 0 | None | - | 0 | Human | 5.7 | pKi | = | 5.7 | Functional | ChEMBL | 392 | 5 | 2 | 8 | 3.2 | CCOC(=O)c1cnc(NC(=O)Nc2ccccc2)n2nc(-c3ccco3)nc12 | 10.1021/jm500752h | ||
| 44572293 | 178406 | 1 | None | - | 0 | Human | 4.7 | pKi | = | 4.7 | Functional | ChEMBL | 191 | 2 | 1 | 5 | 1.4 | CCC(C)n1cnc2c(N)ncnc21 | 10.1016/j.bmc.2009.02.030 | ||
| CHEMBL466044 | 178406 | 1 | None | - | 0 | Human | 4.7 | pKi | = | 4.7 | Functional | ChEMBL | 191 | 2 | 1 | 5 | 1.4 | CCC(C)n1cnc2c(N)ncnc21 | 10.1016/j.bmc.2009.02.030 | ||
| 66892382 | 159128 | 0 | None | - | 0 | Human | 6.7 | pKi | = | 6.7 | Functional | ChEMBL | 559 | 9 | 1 | 9 | 3.5 | CCCn1c(=O)c2[nH]c(-c3cnn(CC4CCN(c5ccc(OC(F)(F)F)cc5)C4=O)c3)nc2n(CCC)c1=O | 10.1016/j.ejmech.2016.11.007 | ||
| CHEMBL4098127 | 159128 | 0 | None | - | 0 | Human | 6.7 | pKi | = | 6.7 | Functional | ChEMBL | 559 | 9 | 1 | 9 | 3.5 | CCCn1c(=O)c2[nH]c(-c3cnn(CC4CCN(c5ccc(OC(F)(F)F)cc5)C4=O)c3)nc2n(CCC)c1=O | 10.1016/j.ejmech.2016.11.007 | ||
| 52946159 | 19261 | 0 | None | - | 0 | Human | 5.7 | pKi | = | 5.7 | Functional | ChEMBL | 493 | 9 | 2 | 4 | 5.7 | O=C(CCc1ccccc1)NCc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccccc3)c2c1 | 10.1016/j.bmcl.2010.10.030 | ||
| CHEMBL1290435 | 19261 | 0 | None | - | 0 | Human | 5.7 | pKi | = | 5.7 | Functional | ChEMBL | 493 | 9 | 2 | 4 | 5.7 | O=C(CCc1ccccc1)NCc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccccc3)c2c1 | 10.1016/j.bmcl.2010.10.030 | ||
| 52949755 | 19206 | 0 | None | - | 0 | Human | 5.7 | pKi | = | 5.7 | Functional | ChEMBL | 468 | 6 | 2 | 5 | 3.2 | Cc1c(S(C)(=O)=O)c(=O)[nH]c2ccc(OCC(=O)NCc3ccc(Cl)c(Cl)c3)cc12 | 10.1016/j.bmcl.2010.10.030 | ||
| CHEMBL1290103 | 19206 | 0 | None | - | 0 | Human | 5.7 | pKi | = | 5.7 | Functional | ChEMBL | 468 | 6 | 2 | 5 | 3.2 | Cc1c(S(C)(=O)=O)c(=O)[nH]c2ccc(OCC(=O)NCc3ccc(Cl)c(Cl)c3)cc12 | 10.1016/j.bmcl.2010.10.030 | ||
| 118707865 | 113216 | 0 | None | - | 0 | Human | 5.7 | pKi | = | 5.7 | Functional | ChEMBL | 381 | 6 | 1 | 8 | 3.3 | CCOC(=O)c1cnc(NCc2ccc(F)cc2)n2nc(-c3ccco3)nc12 | 10.1021/jm500752h | ||
| CHEMBL3314898 | 113216 | 0 | None | - | 0 | Human | 5.7 | pKi | = | 5.7 | Functional | ChEMBL | 381 | 6 | 1 | 8 | 3.3 | CCOC(=O)c1cnc(NCc2ccc(F)cc2)n2nc(-c3ccco3)nc12 | 10.1021/jm500752h | ||
| 9957239 | 59386 | 0 | None | - | 0 | Human | 6.7 | pKi | = | 6.7 | Functional | ChEMBL | 490 | 7 | 2 | 6 | 4.8 | O=C(O)/C=C/c1ccc(-c2nc3c(=O)n(CC4CCCCC4)c(=O)n(CC4CCCCC4)c3[nH]2)cc1 | 10.1021/jm990421v | ||
| CHEMBL17103 | 59386 | 0 | None | - | 0 | Human | 6.7 | pKi | = | 6.7 | Functional | ChEMBL | 490 | 7 | 2 | 6 | 4.8 | O=C(O)/C=C/c1ccc(-c2nc3c(=O)n(CC4CCCCC4)c(=O)n(CC4CCCCC4)c3[nH]2)cc1 | 10.1021/jm990421v | ||
| 136086750 | 8689 | 0 | None | - | 0 | Human | 5.7 | pKi | = | 5.7 | Functional | ChEMBL | 349 | 3 | 4 | 6 | 1.9 | N=C1c2c(C(N)=O)nc(-c3ccccc3O)n2CN1c1ccc(O)cc1 | 10.1016/j.bmc.2010.03.048 | ||
| CHEMBL1095872 | 8689 | 0 | None | - | 0 | Human | 5.7 | pKi | = | 5.7 | Functional | ChEMBL | 349 | 3 | 4 | 6 | 1.9 | N=C1c2c(C(N)=O)nc(-c3ccccc3O)n2CN1c1ccc(O)cc1 | 10.1016/j.bmc.2010.03.048 | ||
| 9912816 | 98406 | 0 | None | - | 0 | Human | 8.7 | pKi | = | 8.7 | Functional | ChEMBL | 475 | 10 | 2 | 7 | 3.1 | CCCn1c(=O)c2nc(-c3ccc(OCC(=O)NCc4ccccc4)cc3)[nH]c2n(CCC)c1=O | 10.1021/jm990421v | ||
| CHEMBL275605 | 98406 | 0 | None | - | 0 | Human | 8.7 | pKi | = | 8.7 | Functional | ChEMBL | 475 | 10 | 2 | 7 | 3.1 | CCCn1c(=O)c2nc(-c3ccc(OCC(=O)NCc4ccccc4)cc3)[nH]c2n(CCC)c1=O | 10.1021/jm990421v | ||
| 11801496 | 98718 | 0 | None | - | 0 | Human | 8.7 | pKi | = | 8.7 | Functional | ChEMBL | 587 | 9 | 2 | 7 | 4.0 | CCCn1c(=O)c2nc(-c3ccc(OCC(=O)Nc4ccc(I)cc4)cc3)[nH]c2n(CCC)c1=O | 10.1021/jm990421v | ||
| CHEMBL278039 | 98718 | 0 | None | - | 0 | Human | 8.7 | pKi | = | 8.7 | Functional | ChEMBL | 587 | 9 | 2 | 7 | 4.0 | CCCn1c(=O)c2nc(-c3ccc(OCC(=O)Nc4ccc(I)cc4)cc3)[nH]c2n(CCC)c1=O | 10.1021/jm990421v | ||
| 11801496 | 98718 | 0 | None | - | 0 | Human | 8.7 | pKi | = | 8.7 | Functional | ChEMBL | 587 | 9 | 2 | 7 | 4.0 | CCCn1c(=O)c2nc(-c3ccc(OCC(=O)Nc4ccc(I)cc4)cc3)[nH]c2n(CCC)c1=O | 10.1016/j.ejmech.2010.04.039 | ||
| CHEMBL278039 | 98718 | 0 | None | - | 0 | Human | 8.7 | pKi | = | 8.7 | Functional | ChEMBL | 587 | 9 | 2 | 7 | 4.0 | CCCn1c(=O)c2nc(-c3ccc(OCC(=O)Nc4ccc(I)cc4)cc3)[nH]c2n(CCC)c1=O | 10.1016/j.ejmech.2010.04.039 | ||
| 10792296 | 98638 | 0 | None | - | 0 | Human | 8.7 | pKi | = | 8.7 | Functional | ChEMBL | 529 | 9 | 2 | 7 | 4.4 | CCCn1c(=O)c2nc(-c3ccc(OCC(=O)Nc4ccc(C(F)(F)F)cc4)cc3)[nH]c2n(CCC)c1=O | 10.1021/jm990421v | ||
| CHEMBL277386 | 98638 | 0 | None | - | 0 | Human | 8.7 | pKi | = | 8.7 | Functional | ChEMBL | 529 | 9 | 2 | 7 | 4.4 | CCCn1c(=O)c2nc(-c3ccc(OCC(=O)Nc4ccc(C(F)(F)F)cc4)cc3)[nH]c2n(CCC)c1=O | 10.1021/jm990421v | ||
| 10767043 | 58993 | 0 | None | - | 0 | Human | 8.7 | pKi | = | 8.7 | Functional | ChEMBL | 479 | 9 | 2 | 7 | 3.5 | CCCn1c(=O)c2nc(-c3ccc(OCC(=O)Nc4ccc(F)cc4)cc3)[nH]c2n(CCC)c1=O | 10.1021/jm990421v | ||
| CHEMBL16929 | 58993 | 0 | None | - | 0 | Human | 8.7 | pKi | = | 8.7 | Functional | ChEMBL | 479 | 9 | 2 | 7 | 3.5 | CCCn1c(=O)c2nc(-c3ccc(OCC(=O)Nc4ccc(F)cc4)cc3)[nH]c2n(CCC)c1=O | 10.1021/jm990421v | ||
| 10840167 | 59148 | 0 | None | - | 0 | Human | 8.6 | pKi | = | 8.6 | Functional | ChEMBL | 539 | 9 | 2 | 7 | 4.2 | CCCn1c(=O)c2nc(-c3ccc(OCC(=O)Nc4ccc(Br)cc4)cc3)[nH]c2n(CCC)c1=O | 10.1021/jm990421v | ||
| CHEMBL17003 | 59148 | 0 | None | - | 0 | Human | 8.6 | pKi | = | 8.6 | Functional | ChEMBL | 539 | 9 | 2 | 7 | 4.2 | CCCn1c(=O)c2nc(-c3ccc(OCC(=O)Nc4ccc(Br)cc4)cc3)[nH]c2n(CCC)c1=O | 10.1021/jm990421v | ||
| 10720065 | 98369 | 0 | None | - | 0 | Human | 8.6 | pKi | = | 8.6 | Functional | ChEMBL | 495 | 9 | 2 | 7 | 4.0 | CCCn1c(=O)c2nc(-c3ccc(OCC(=O)Nc4ccc(Cl)cc4)cc3)[nH]c2n(CCC)c1=O | 10.1021/jm990421v | ||
| CHEMBL275427 | 98369 | 0 | None | - | 0 | Human | 8.6 | pKi | = | 8.6 | Functional | ChEMBL | 495 | 9 | 2 | 7 | 4.0 | CCCn1c(=O)c2nc(-c3ccc(OCC(=O)Nc4ccc(Cl)cc4)cc3)[nH]c2n(CCC)c1=O | 10.1021/jm990421v | ||
| 9870718 | 59956 | 0 | None | - | 0 | Human | 8.6 | pKi | = | 8.6 | Functional | ChEMBL | 503 | 10 | 2 | 8 | 3.6 | CCCn1c(=O)c2nc(-c3ccc(OCC(=O)Nc4ccccc4C(C)=O)cc3)[nH]c2n(CCC)c1=O | 10.1021/jm990421v | ||
| CHEMBL17341 | 59956 | 0 | None | - | 0 | Human | 8.6 | pKi | = | 8.6 | Functional | ChEMBL | 503 | 10 | 2 | 8 | 3.6 | CCCn1c(=O)c2nc(-c3ccc(OCC(=O)Nc4ccccc4C(C)=O)cc3)[nH]c2n(CCC)c1=O | 10.1021/jm990421v | ||
| 72197880 | 90769 | 0 | None | - | 0 | Human | 8.6 | pKi | = | 8.6 | Functional | ChEMBL | 347 | 4 | 1 | 5 | 4.7 | O=C(Nc1nc(-c2ccccc2)c(-c2ccncc2)s1)c1ccco1 | 10.1016/j.ejmech.2013.03.020 | ||
| CHEMBL2391834 | 90769 | 0 | None | - | 0 | Human | 8.6 | pKi | = | 8.6 | Functional | ChEMBL | 347 | 4 | 1 | 5 | 4.7 | O=C(Nc1nc(-c2ccccc2)c(-c2ccncc2)s1)c1ccco1 | 10.1016/j.ejmech.2013.03.020 | ||
| 52945195 | 19147 | 0 | None | - | 0 | Human | 8.6 | pKi | = | 8.6 | Functional | ChEMBL | 525 | 10 | 3 | 6 | 4.7 | O=C(COc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccccc3)c2c1)N[C@@H](CO)c1ccccc1 | 10.1016/j.bmcl.2010.10.030 | ||
| CHEMBL1289676 | 19147 | 0 | None | - | 0 | Human | 8.6 | pKi | = | 8.6 | Functional | ChEMBL | 525 | 10 | 3 | 6 | 4.7 | O=C(COc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccccc3)c2c1)N[C@@H](CO)c1ccccc1 | 10.1016/j.bmcl.2010.10.030 | ||
| 11849871 | 188805 | 2 | None | - | 0 | Human | 6.7 | pKi | = | 6.7 | Functional | ChEMBL | 255 | 2 | 1 | 5 | 1.6 | CCCn1c(Br)nc2c(N)ncnc21 | 10.1016/j.bmc.2009.02.030 | ||
| 11849871 | 188805 | 2 | None | - | 0 | Human | 6.7 | pKi | = | 6.7 | Functional | ChEMBL | 255 | 2 | 1 | 5 | 1.6 | CCCn1c(Br)nc2c(N)ncnc21 | 10.1016/j.ejmech.2013.10.006 | ||
| 11849871 | 188805 | 2 | None | - | 0 | Human | 6.7 | pKi | = | 6.7 | Functional | ChEMBL | 255 | 2 | 1 | 5 | 1.6 | CCCn1c(Br)nc2c(N)ncnc21 | 10.1039/C5MD00034C | ||
| CHEMBL506450 | 188805 | 2 | None | - | 0 | Human | 6.7 | pKi | = | 6.7 | Functional | ChEMBL | 255 | 2 | 1 | 5 | 1.6 | CCCn1c(Br)nc2c(N)ncnc21 | 10.1016/j.bmc.2009.02.030 | ||
| CHEMBL506450 | 188805 | 2 | None | - | 0 | Human | 6.7 | pKi | = | 6.7 | Functional | ChEMBL | 255 | 2 | 1 | 5 | 1.6 | CCCn1c(Br)nc2c(N)ncnc21 | 10.1016/j.ejmech.2013.10.006 | ||
| CHEMBL506450 | 188805 | 2 | None | - | 0 | Human | 6.7 | pKi | = | 6.7 | Functional | ChEMBL | 255 | 2 | 1 | 5 | 1.6 | CCCn1c(Br)nc2c(N)ncnc21 | 10.1039/C5MD00034C | ||
| 137636304 | 156177 | 0 | None | - | 0 | Human | 5.7 | pKi | = | 5.7 | Functional | ChEMBL | 419 | 4 | 2 | 7 | 3.4 | COc1ccc(N2CCOCC2)c2sc(NC(=O)C3(C)CCC(C)(O)CC3)nc12 | 10.1021/acs.jmedchem.6b01584 | ||
| CHEMBL4064207 | 156177 | 0 | None | - | 0 | Human | 5.7 | pKi | = | 5.7 | Functional | ChEMBL | 419 | 4 | 2 | 7 | 3.4 | COc1ccc(N2CCOCC2)c2sc(NC(=O)C3(C)CCC(C)(O)CC3)nc12 | 10.1021/acs.jmedchem.6b01584 | ||
| 137645935 | 157552 | 0 | None | - | 0 | Human | 5.7 | pKi | = | 5.7 | Functional | ChEMBL | 446 | 6 | 1 | 8 | 3.5 | COc1cnc(N2CCOCC2)c2sc(NC(=O)C(C)(C)Oc3ccc(F)cc3)nc12 | 10.1021/acs.jmedchem.6b01584 | ||
| CHEMBL4080594 | 157552 | 0 | None | - | 0 | Human | 5.7 | pKi | = | 5.7 | Functional | ChEMBL | 446 | 6 | 1 | 8 | 3.5 | COc1cnc(N2CCOCC2)c2sc(NC(=O)C(C)(C)Oc3ccc(F)cc3)nc12 | 10.1021/acs.jmedchem.6b01584 | ||
| 22002375 | 113193 | 0 | None | - | 0 | Human | 5.7 | pKi | = | 5.7 | Functional | ChEMBL | 258 | 2 | 2 | 7 | 0.3 | CNC(=O)c1cnc(N)n2nc(-c3ccco3)nc12 | 10.1021/jm500752h | ||
| CHEMBL3314875 | 113193 | 0 | None | - | 0 | Human | 5.7 | pKi | = | 5.7 | Functional | ChEMBL | 258 | 2 | 2 | 7 | 0.3 | CNC(=O)c1cnc(N)n2nc(-c3ccco3)nc12 | 10.1021/jm500752h | ||
| 18440417 | 136636 | 0 | None | - | 0 | Human | 5.7 | pKi | = | 5.7 | Functional | ChEMBL | 362 | 7 | 2 | 7 | 3.7 | CCCn1c(-c2ccco2)nc2c(N)nc(NCCc3ccccc3)nc21 | 10.1039/C5MD00034C | ||
| CHEMBL3740141 | 136636 | 0 | None | - | 0 | Human | 5.7 | pKi | = | 5.7 | Functional | ChEMBL | 362 | 7 | 2 | 7 | 3.7 | CCCn1c(-c2ccco2)nc2c(N)nc(NCCc3ccccc3)nc21 | 10.1039/C5MD00034C | ||
| 118707867 | 113218 | 0 | None | - | 0 | Human | 5.7 | pKi | = | 5.7 | Functional | ChEMBL | 431 | 6 | 1 | 8 | 4.2 | CCOC(=O)c1cnc(NCc2ccc(C(F)(F)F)cc2)n2nc(-c3ccco3)nc12 | 10.1021/jm500752h | ||
| CHEMBL3314900 | 113218 | 0 | None | - | 0 | Human | 5.7 | pKi | = | 5.7 | Functional | ChEMBL | 431 | 6 | 1 | 8 | 4.2 | CCOC(=O)c1cnc(NCc2ccc(C(F)(F)F)cc2)n2nc(-c3ccco3)nc12 | 10.1021/jm500752h | ||
| 52944930 | 19262 | 0 | None | - | 0 | Human | 7.7 | pKi | = | 7.7 | Functional | ChEMBL | 495 | 9 | 2 | 5 | 5.1 | O=C(COc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccccc3)c2c1)NCc1ccccc1 | 10.1016/j.bmcl.2010.10.030 | ||
| CHEMBL1290436 | 19262 | 0 | None | - | 0 | Human | 7.7 | pKi | = | 7.7 | Functional | ChEMBL | 495 | 9 | 2 | 5 | 5.1 | O=C(COc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccccc3)c2c1)NCc1ccccc1 | 10.1016/j.bmcl.2010.10.030 | ||
| 459 | 2600 | 34 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Functional | ChEMBL | 432 | 6 | 2 | 9 | 3.8 | CCCn1cc2c(n1)nc(n1c2nc(n1)c1ccco1)NC(=O)Nc1ccc(cc1)OC | 10.1021/jm300323t | ||
| 477 | 2600 | 34 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Functional | ChEMBL | 432 | 6 | 2 | 9 | 3.8 | CCCn1cc2c(n1)nc(n1c2nc(n1)c1ccco1)NC(=O)Nc1ccc(cc1)OC | 10.1021/jm300323t | ||
| 5310960 | 2600 | 34 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Functional | ChEMBL | 432 | 6 | 2 | 9 | 3.8 | CCCn1cc2c(n1)nc(n1c2nc(n1)c1ccco1)NC(=O)Nc1ccc(cc1)OC | 10.1021/jm300323t | ||
| CHEMBL302765 | 2600 | 34 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Functional | ChEMBL | 432 | 6 | 2 | 9 | 3.8 | CCCn1cc2c(n1)nc(n1c2nc(n1)c1ccco1)NC(=O)Nc1ccc(cc1)OC | 10.1021/jm300323t | ||
| 20592013 | 94576 | 0 | None | - | 0 | Human | 6.7 | pKi | = | 6.7 | Functional | ChEMBL | 371 | 4 | 4 | 10 | -0.7 | OC[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCOC4)nc(Cl)nc32)[C@H](O)[C@@H]1O | 10.1016/j.bmc.2007.09.035 | ||
| CHEMBL252198 | 94576 | 0 | None | - | 0 | Human | 6.7 | pKi | = | 6.7 | Functional | ChEMBL | 371 | 4 | 4 | 10 | -0.7 | OC[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCOC4)nc(Cl)nc32)[C@H](O)[C@@H]1O | 10.1016/j.bmc.2007.09.035 | ||
| 21874755 | 176868 | 1 | None | - | 0 | Human | 5.7 | pKi | = | 5.7 | Functional | ChEMBL | 336 | 4 | 2 | 8 | 1.8 | Nc1nc(-c2ccco2)c2nnn(Cc3cccc(C(=O)O)c3)c2n1 | 10.1016/j.ejmech.2010.04.039 | ||
| CHEMBL461656 | 176868 | 1 | None | - | 0 | Human | 5.7 | pKi | = | 5.7 | Functional | ChEMBL | 336 | 4 | 2 | 8 | 1.8 | Nc1nc(-c2ccco2)c2nnn(Cc3cccc(C(=O)O)c3)c2n1 | 10.1016/j.ejmech.2010.04.039 | ||
| 71450241 | 82911 | 0 | None | - | 0 | Human | 5.7 | pKi | = | 5.7 | Functional | ChEMBL | 269 | 2 | 1 | 8 | 1.3 | CNc1nc2nn(C)cc2c2nc(-c3ccco3)nn12 | 10.1021/jm300899q | ||
| CHEMBL2181147 | 82911 | 0 | None | - | 0 | Human | 5.7 | pKi | = | 5.7 | Functional | ChEMBL | 269 | 2 | 1 | 8 | 1.3 | CNc1nc2nn(C)cc2c2nc(-c3ccco3)nn12 | 10.1021/jm300899q | ||
| 71453892 | 82912 | 0 | None | - | 0 | Human | 5.7 | pKi | = | 5.7 | Functional | ChEMBL | 283 | 3 | 1 | 8 | 1.7 | CCNc1nc2nn(C)cc2c2nc(-c3ccco3)nn12 | 10.1021/jm300899q | ||
| CHEMBL2181148 | 82912 | 0 | None | - | 0 | Human | 5.7 | pKi | = | 5.7 | Functional | ChEMBL | 283 | 3 | 1 | 8 | 1.7 | CCNc1nc2nn(C)cc2c2nc(-c3ccco3)nn12 | 10.1021/jm300899q | ||
| 24827444 | 96315 | 0 | None | - | 0 | Human | 7.7 | pKi | = | 7.7 | Functional | ChEMBL | 365 | 5 | 1 | 8 | 1.6 | CCCn1c(=O)c2[nH]c(-c3cnn(-c4cccnc4)c3)nc2n(CC)c1=O | 10.1016/j.ejmech.2010.04.039 | ||
| CHEMBL261526 | 96315 | 0 | None | - | 0 | Human | 7.7 | pKi | = | 7.7 | Functional | ChEMBL | 365 | 5 | 1 | 8 | 1.6 | CCCn1c(=O)c2[nH]c(-c3cnn(-c4cccnc4)c3)nc2n(CC)c1=O | 10.1016/j.ejmech.2010.04.039 | ||
| 9870396 | 139012 | 0 | None | - | 0 | Human | 7.7 | pKi | = | 7.7 | Functional | ChEMBL | 494 | 7 | 1 | 7 | 4.3 | CCCn1c(=O)c2nc(-c3cnn(Cc4cc(C(F)(F)F)ccc4Cl)c3)[nH]c2n(CCC)c1=O | 10.1016/j.ejmech.2010.04.039 | ||
| CHEMBL378598 | 139012 | 0 | None | - | 0 | Human | 7.7 | pKi | = | 7.7 | Functional | ChEMBL | 494 | 7 | 1 | 7 | 4.3 | CCCn1c(=O)c2nc(-c3cnn(Cc4cc(C(F)(F)F)ccc4Cl)c3)[nH]c2n(CCC)c1=O | 10.1016/j.ejmech.2010.04.039 | ||
| 21916394 | 160789 | 0 | None | - | 0 | Human | 7.7 | pKi | = | 7.7 | Functional | ChEMBL | 458 | 6 | 1 | 7 | 3.2 | CCn1c(=O)n(CC2CC2)c(=O)c2[nH]c(-c3cnn(Cc4cccc(C(F)(F)F)c4)c3)nc21 | 10.1016/j.ejmech.2010.04.039 | ||
| CHEMBL411452 | 160789 | 0 | None | - | 0 | Human | 7.7 | pKi | = | 7.7 | Functional | ChEMBL | 458 | 6 | 1 | 7 | 3.2 | CCn1c(=O)n(CC2CC2)c(=O)c2[nH]c(-c3cnn(Cc4cccc(C(F)(F)F)c4)c3)nc21 | 10.1016/j.ejmech.2010.04.039 | ||
| CHEMBL5074992 | 214327 | 0 | None | - | 0 | Human | 7.6 | pKi | = | 7.6 | Functional | ChEMBL | None | None | None | CCCCn1c(=O)c2nc(C34CCC(C(=O)NCCOCCOCCN=[N+]=[N-])(CC3)CC4)[nH]c2n(CCCNC(=O)c2ccc(S(=O)(=O)F)cc2)c1=O | 10.1021/acs.jmedchem.0c02169 | ||||
| 9929470 | 110446 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Functional | ChEMBL | 374 | 3 | 2 | 8 | 2.9 | Cn1cc2c(nc(NC(=O)Nc3ccccc3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm500752h | ||
| CHEMBL324735 | 110446 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Functional | ChEMBL | 374 | 3 | 2 | 8 | 2.9 | Cn1cc2c(nc(NC(=O)Nc3ccccc3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm500752h | ||
| 118707859 | 113210 | 0 | None | - | 0 | Human | 5.7 | pKi | = | 5.7 | Functional | ChEMBL | 313 | 5 | 1 | 8 | 2.1 | CCOC(=O)c1cnc(NC2CC2)n2nc(-c3ccco3)nc12 | 10.1021/jm500752h | ||
| CHEMBL3314892 | 113210 | 0 | None | - | 0 | Human | 5.7 | pKi | = | 5.7 | Functional | ChEMBL | 313 | 5 | 1 | 8 | 2.1 | CCOC(=O)c1cnc(NC2CC2)n2nc(-c3ccco3)nc12 | 10.1021/jm500752h | ||
| 158795 | 3741 | 33 | None | - | 2 | Human | 6.6 | pKi | = | 6.6 | Functional | ChEMBL | 337 | 4 | 4 | 10 | -1.4 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N[C@H]1COCC1 | 10.1016/j.bmc.2007.09.035 | ||
| 5592 | 3741 | 33 | None | - | 2 | Human | 6.6 | pKi | = | 6.6 | Functional | ChEMBL | 337 | 4 | 4 | 10 | -1.4 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N[C@H]1COCC1 | 10.1016/j.bmc.2007.09.035 | ||
| CHEMBL392149 | 3741 | 33 | None | - | 2 | Human | 6.6 | pKi | = | 6.6 | Functional | ChEMBL | 337 | 4 | 4 | 10 | -1.4 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N[C@H]1COCC1 | 10.1016/j.bmc.2007.09.035 | ||
| DB04954 | 3741 | 33 | None | - | 2 | Human | 6.6 | pKi | = | 6.6 | Functional | ChEMBL | 337 | 4 | 4 | 10 | -1.4 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N[C@H]1COCC1 | 10.1016/j.bmc.2007.09.035 | ||
| 99619 | 203448 | 23 | None | - | 0 | Human | 4.6 | pKi | = | 4.6 | Functional | ChEMBL | 223 | 2 | 1 | 7 | -1.6 | Cn1c(=O)c2c(ncn2CCN)n(C)c1=O | 10.1016/j.ejmech.2010.04.039 | ||
| CHEMBL66011 | 203448 | 23 | None | - | 0 | Human | 4.6 | pKi | = | 4.6 | Functional | ChEMBL | 223 | 2 | 1 | 7 | -1.6 | Cn1c(=O)c2c(ncn2CCN)n(C)c1=O | 10.1016/j.ejmech.2010.04.039 | ||
| 101874280 | 113205 | 0 | None | - | 0 | Human | 5.6 | pKi | = | 5.6 | Functional | ChEMBL | 287 | 4 | 1 | 8 | 1.6 | CCOC(=O)c1cnc(NC)n2nc(-c3ccco3)nc12 | 10.1021/jm500752h | ||
| CHEMBL3314887 | 113205 | 0 | None | - | 0 | Human | 5.6 | pKi | = | 5.6 | Functional | ChEMBL | 287 | 4 | 1 | 8 | 1.6 | CCOC(=O)c1cnc(NC)n2nc(-c3ccco3)nc12 | 10.1021/jm500752h | ||
| 22002319 | 113191 | 0 | None | - | 0 | Human | 5.6 | pKi | = | 5.6 | Functional | ChEMBL | 408 | 7 | 2 | 9 | 2.4 | CNC(=O)c1cnc(NCc2ccc(OC)c(OC)c2)n2nc(-c3ccco3)nc12 | 10.1021/jm500752h | ||
| CHEMBL3314873 | 113191 | 0 | None | - | 0 | Human | 5.6 | pKi | = | 5.6 | Functional | ChEMBL | 408 | 7 | 2 | 9 | 2.4 | CNC(=O)c1cnc(NCc2ccc(OC)c(OC)c2)n2nc(-c3ccco3)nc12 | 10.1021/jm500752h | ||
| 1330 | 163194 | 45 | None | - | 3 | Human | 6.6 | pKi | = | 6.6 | Functional | ChEMBL | 392 | 6 | 2 | 7 | 1.6 | CCCn1c(=O)c2nc(-c3ccc(S(=O)(=O)O)cc3)[nH]c2n(CCC)c1=O | 10.1021/jm049418o | ||
| CHEMBL418333 | 163194 | 45 | None | - | 3 | Human | 6.6 | pKi | = | 6.6 | Functional | ChEMBL | 392 | 6 | 2 | 7 | 1.6 | CCCn1c(=O)c2nc(-c3ccc(S(=O)(=O)O)cc3)[nH]c2n(CCC)c1=O | 10.1021/jm049418o | ||
| CHEMBL435575 | 163194 | 45 | None | - | 3 | Human | 6.6 | pKi | = | 6.6 | Functional | ChEMBL | 392 | 6 | 2 | 7 | 1.6 | CCCn1c(=O)c2nc(-c3ccc(S(=O)(=O)O)cc3)[nH]c2n(CCC)c1=O | 10.1021/jm049418o | ||
| 9887859 | 113485 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Functional | ChEMBL | 375 | 3 | 2 | 9 | 2.3 | Cn1cc2c(nc(NC(=O)Nc3ccncc3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm300323t | ||
| CHEMBL118923 | 113485 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Functional | ChEMBL | 375 | 3 | 2 | 9 | 2.3 | Cn1cc2c(nc(NC(=O)Nc3ccncc3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm300323t | ||
| CHEMBL332091 | 113485 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Functional | ChEMBL | 375 | 3 | 2 | 9 | 2.3 | Cn1cc2c(nc(NC(=O)Nc3ccncc3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm300323t | ||
| 76331702 | 103671 | 0 | None | - | 0 | Human | 6.6 | pKi | = | 6.6 | Functional | ChEMBL | 243 | 3 | 1 | 6 | 2.1 | CCCn1c(-c2ccco2)nc2c(N)ncnc21 | 10.1016/j.ejmech.2013.10.006 | ||
| CHEMBL3087706 | 103671 | 0 | None | - | 0 | Human | 6.6 | pKi | = | 6.6 | Functional | ChEMBL | 243 | 3 | 1 | 6 | 2.1 | CCCn1c(-c2ccco2)nc2c(N)ncnc21 | 10.1016/j.ejmech.2013.10.006 | ||
| 76335304 | 103673 | 0 | None | - | 0 | Human | 5.6 | pKi | = | 5.6 | Functional | ChEMBL | 333 | 4 | 1 | 6 | 2.8 | Cn1c(-c2ccco2)nc2c(NC(=O)Cc3ccccc3)ncnc21 | 10.1016/j.ejmech.2013.10.006 | ||
| CHEMBL3087708 | 103673 | 0 | None | - | 0 | Human | 5.6 | pKi | = | 5.6 | Functional | ChEMBL | 333 | 4 | 1 | 6 | 2.8 | Cn1c(-c2ccco2)nc2c(NC(=O)Cc3ccccc3)ncnc21 | 10.1016/j.ejmech.2013.10.006 | ||
| 118707862 | 113213 | 0 | None | - | 0 | Human | 5.6 | pKi | = | 5.6 | Functional | ChEMBL | 363 | 6 | 1 | 8 | 3.2 | CCOC(=O)c1cnc(NCc2ccccc2)n2nc(-c3ccco3)nc12 | 10.1021/jm500752h | ||
| CHEMBL3314895 | 113213 | 0 | None | - | 0 | Human | 5.6 | pKi | = | 5.6 | Functional | ChEMBL | 363 | 6 | 1 | 8 | 3.2 | CCOC(=O)c1cnc(NCc2ccccc2)n2nc(-c3ccco3)nc12 | 10.1021/jm500752h | ||
| 76331702 | 103671 | 0 | None | - | 0 | Human | 6.6 | pKi | = | 6.6 | Functional | ChEMBL | 243 | 3 | 1 | 6 | 2.1 | CCCn1c(-c2ccco2)nc2c(N)ncnc21 | 10.1039/C5MD00034C | ||
| CHEMBL3087706 | 103671 | 0 | None | - | 0 | Human | 6.6 | pKi | = | 6.6 | Functional | ChEMBL | 243 | 3 | 1 | 6 | 2.1 | CCCn1c(-c2ccco2)nc2c(N)ncnc21 | 10.1039/C5MD00034C | ||
| 11587927 | 162649 | 0 | None | - | 0 | Human | 5.6 | pKi | = | 5.6 | Functional | ChEMBL | 327 | 3 | 1 | 5 | 4.0 | Cn1c(-c2cccc(Cl)c2)nc2c(NC3CCCC3)ncnc21 | 10.1016/j.ejmech.2018.03.067 | ||
| CHEMBL4170180 | 162649 | 0 | None | - | 0 | Human | 5.6 | pKi | = | 5.6 | Functional | ChEMBL | 327 | 3 | 1 | 5 | 4.0 | Cn1c(-c2cccc(Cl)c2)nc2c(NC3CCCC3)ncnc21 | 10.1016/j.ejmech.2018.03.067 | ||
| CHEMBL5089483 | 215186 | 0 | None | - | 0 | Human | 7.6 | pKi | = | 7.6 | Functional | ChEMBL | None | None | None | CCCCn1c(=O)c2nc(C34CCC(C(=O)NCCCCN=[N+]=[N-])(CC3)CC4)[nH]c2n(CCCNC(=O)c2ccc(S(=O)(=O)F)cc2)c1=O | 10.1021/acs.jmedchem.0c02169 | ||||
| 9936058 | 59528 | 2 | None | - | 0 | Human | 7.6 | pKi | = | 7.6 | Functional | ChEMBL | 508 | 9 | 2 | 9 | 1.5 | CCCn1c(=O)c2nc(-c3ccc(OCC(=O)NN4C(=O)C(C)=C(C)C4=O)cc3)[nH]c2n(CCC)c1=O | 10.1021/jm990421v | ||
| CHEMBL17173 | 59528 | 2 | None | - | 0 | Human | 7.6 | pKi | = | 7.6 | Functional | ChEMBL | 508 | 9 | 2 | 9 | 1.5 | CCCn1c(=O)c2nc(-c3ccc(OCC(=O)NN4C(=O)C(C)=C(C)C4=O)cc3)[nH]c2n(CCC)c1=O | 10.1021/jm990421v | ||
| 377 | 2738 | 53 | None | - | 10 | Rat | 5.6 | pKi | = | 5.6 | Functional | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/jm9802822 | ||
| 425 | 2738 | 53 | None | - | 10 | Rat | 5.6 | pKi | = | 5.6 | Functional | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/jm9802822 | ||
| 448222 | 2738 | 53 | None | - | 10 | Rat | 5.6 | pKi | = | 5.6 | Functional | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/jm9802822 | ||
| CHEMBL464859 | 2738 | 53 | None | - | 10 | Rat | 5.6 | pKi | = | 5.6 | Functional | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/jm9802822 | ||
| 71462773 | 82916 | 0 | None | - | 0 | Human | 5.6 | pKi | = | 5.6 | Functional | ChEMBL | 311 | 4 | 1 | 8 | 2.5 | CC[C@H](C)Nc1nc2nn(C)cc2c2nc(-c3ccco3)nn12 | 10.1021/jm300899q | ||
| CHEMBL2181151 | 82916 | 0 | None | - | 0 | Human | 5.6 | pKi | = | 5.6 | Functional | ChEMBL | 311 | 4 | 1 | 8 | 2.5 | CC[C@H](C)Nc1nc2nn(C)cc2c2nc(-c3ccco3)nn12 | 10.1021/jm300899q | ||
| 71457391 | 82897 | 0 | None | - | 0 | Human | 5.6 | pKi | = | 5.6 | Functional | ChEMBL | 379 | 4 | 1 | 8 | 3.5 | Cn1cc2c(nc(NCc3ccc(Cl)cc3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm300899q | ||
| CHEMBL2180935 | 82897 | 0 | None | - | 0 | Human | 5.6 | pKi | = | 5.6 | Functional | ChEMBL | 379 | 4 | 1 | 8 | 3.5 | Cn1cc2c(nc(NCc3ccc(Cl)cc3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm300899q | ||
| 71457407 | 82925 | 0 | None | - | 0 | Human | 5.6 | pKi | = | 5.6 | Functional | ChEMBL | 323 | 3 | 1 | 8 | 2.6 | Cn1cc2c(nc(NC3CCCC3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm300899q | ||
| CHEMBL2181160 | 82925 | 0 | None | - | 0 | Human | 5.6 | pKi | = | 5.6 | Functional | ChEMBL | 323 | 3 | 1 | 8 | 2.6 | Cn1cc2c(nc(NC3CCCC3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm300899q | ||
| 52942475 | 19222 | 0 | None | - | 0 | Human | 5.6 | pKi | = | 5.6 | Functional | ChEMBL | 489 | 9 | 2 | 5 | 5.7 | CC(C)CCc1c(-c2nccs2)c(=O)[nH]c2ccc(OCC(=O)NC(C)(C)c3ccccc3)cc12 | 10.1016/j.bmcl.2010.10.030 | ||
| CHEMBL1290212 | 19222 | 0 | None | - | 0 | Human | 5.6 | pKi | = | 5.6 | Functional | ChEMBL | 489 | 9 | 2 | 5 | 5.7 | CC(C)CCc1c(-c2nccs2)c(=O)[nH]c2ccc(OCC(=O)NC(C)(C)c3ccccc3)cc12 | 10.1016/j.bmcl.2010.10.030 | ||
| 42636897 | 172616 | 25 | None | - | 0 | Human | 5.6 | pKi | = | 5.6 | Functional | ChEMBL | 379 | 4 | 3 | 8 | 1.3 | O[C@@H]1[C@@H](CCl)O[C@@H](n2cnc3c(NC4CC5CCC4C5)ncnc32)[C@@H]1O | 10.1021/jm801456g | ||
| CHEMBL449575 | 172616 | 25 | None | - | 0 | Human | 5.6 | pKi | = | 5.6 | Functional | ChEMBL | 379 | 4 | 3 | 8 | 1.3 | O[C@@H]1[C@@H](CCl)O[C@@H](n2cnc3c(NC4CC5CCC4C5)ncnc32)[C@@H]1O | 10.1021/jm801456g | ||
| 76331703 | 103677 | 0 | None | - | 0 | Human | 5.6 | pKi | = | 5.6 | Functional | ChEMBL | 453 | 7 | 1 | 7 | 4.7 | Cc1ccc(COc2ccc(CC(=O)Nc3ncnc4c3nc(-c3ccco3)n4C)cc2)cc1 | 10.1016/j.ejmech.2013.10.006 | ||
| CHEMBL3087712 | 103677 | 0 | None | - | 0 | Human | 5.6 | pKi | = | 5.6 | Functional | ChEMBL | 453 | 7 | 1 | 7 | 4.7 | Cc1ccc(COc2ccc(CC(=O)Nc3ncnc4c3nc(-c3ccco3)n4C)cc2)cc1 | 10.1016/j.ejmech.2013.10.006 | ||
| 71462755 | 82902 | 0 | None | - | 0 | Human | 5.6 | pKi | = | 5.6 | Functional | ChEMBL | 359 | 5 | 1 | 8 | 2.9 | Cn1cc2c(nc(NCCc3ccccc3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm300899q | ||
| CHEMBL2180940 | 82902 | 0 | None | - | 0 | Human | 5.6 | pKi | = | 5.6 | Functional | ChEMBL | 359 | 5 | 1 | 8 | 2.9 | Cn1cc2c(nc(NCCc3ccccc3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm300899q | ||
| 44572469 | 179427 | 11 | None | - | 0 | Human | 5.6 | pKi | = | 5.6 | Functional | ChEMBL | 257 | 2 | 2 | 6 | 0.2 | Nc1ncnc2c1nc(Br)n2CCO | 10.1016/j.ejmech.2010.04.039 | ||
| CHEMBL474058 | 179427 | 11 | None | - | 0 | Human | 5.6 | pKi | = | 5.6 | Functional | ChEMBL | 257 | 2 | 2 | 6 | 0.2 | Nc1ncnc2c1nc(Br)n2CCO | 10.1016/j.ejmech.2010.04.039 | ||
| 44572469 | 179427 | 11 | None | - | 0 | Human | 5.6 | pKi | = | 5.6 | Functional | ChEMBL | 257 | 2 | 2 | 6 | 0.2 | Nc1ncnc2c1nc(Br)n2CCO | 10.1016/j.bmc.2009.02.030 | ||
| 44572469 | 179427 | 11 | None | - | 0 | Human | 5.6 | pKi | = | 5.6 | Functional | ChEMBL | 257 | 2 | 2 | 6 | 0.2 | Nc1ncnc2c1nc(Br)n2CCO | 10.1016/j.ejmech.2013.10.006 | ||
| CHEMBL474058 | 179427 | 11 | None | - | 0 | Human | 5.6 | pKi | = | 5.6 | Functional | ChEMBL | 257 | 2 | 2 | 6 | 0.2 | Nc1ncnc2c1nc(Br)n2CCO | 10.1016/j.bmc.2009.02.030 | ||
| CHEMBL474058 | 179427 | 11 | None | - | 0 | Human | 5.6 | pKi | = | 5.6 | Functional | ChEMBL | 257 | 2 | 2 | 6 | 0.2 | Nc1ncnc2c1nc(Br)n2CCO | 10.1016/j.ejmech.2013.10.006 | ||
| 24882472 | 154630 | 0 | None | - | 0 | Human | 5.6 | pKi | = | 5.6 | Functional | ChEMBL | 456 | 5 | 4 | 10 | 1.4 | CNC(=S)OC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)nc(Cl)nc32)[C@](C)(O)[C@@H]1O | 10.1016/j.bmc.2007.09.035 | ||
| CHEMBL399514 | 154630 | 0 | None | - | 0 | Human | 5.6 | pKi | = | 5.6 | Functional | ChEMBL | 456 | 5 | 4 | 10 | 1.4 | CNC(=S)OC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)nc(Cl)nc32)[C@](C)(O)[C@@H]1O | 10.1016/j.bmc.2007.09.035 | ||
| 71459268 | 82905 | 0 | None | - | 0 | Human | 5.5 | pKi | = | 5.5 | Functional | ChEMBL | 398 | 5 | 2 | 8 | 3.4 | Cn1cc2c(nc(NCCc3c[nH]c4ccccc34)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm300899q | ||
| CHEMBL2181141 | 82905 | 0 | None | - | 0 | Human | 5.5 | pKi | = | 5.5 | Functional | ChEMBL | 398 | 5 | 2 | 8 | 3.4 | Cn1cc2c(nc(NCCc3c[nH]c4ccccc34)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm300899q | ||
| 9806649 | 59513 | 0 | None | - | 0 | Human | 8.5 | pKi | = | 8.5 | Functional | ChEMBL | 518 | 10 | 3 | 8 | 2.8 | CCCn1c(=O)c2nc(-c3ccc(OCC(=O)Nc4ccc(C(=O)NC)cc4)cc3)[nH]c2n(CCC)c1=O | 10.1021/jm990421v | ||
| CHEMBL17167 | 59513 | 0 | None | - | 0 | Human | 8.5 | pKi | = | 8.5 | Functional | ChEMBL | 518 | 10 | 3 | 8 | 2.8 | CCCn1c(=O)c2nc(-c3ccc(OCC(=O)Nc4ccc(C(=O)NC)cc4)cc3)[nH]c2n(CCC)c1=O | 10.1021/jm990421v | ||
| 11605883 | 79923 | 6 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Functional | ChEMBL | 508 | 7 | 2 | 7 | 2.0 | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccccc5)CC4)cc3)[nH]c2c1=O | 10.1016/j.ejmech.2010.04.039 | ||
| CHEMBL212625 | 79923 | 6 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Functional | ChEMBL | 508 | 7 | 2 | 7 | 2.0 | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccccc5)CC4)cc3)[nH]c2c1=O | 10.1016/j.ejmech.2010.04.039 | ||
| 9892149 | 59595 | 0 | None | - | 0 | Human | 8.4 | pKi | = | 8.4 | Functional | ChEMBL | 499 | 9 | 2 | 7 | 4.2 | CCCn1c(=O)c2nc(-c3ccc(/C=C/C(=O)Nc4ccccc4C(C)=O)cc3)[nH]c2n(CCC)c1=O | 10.1021/jm990421v | ||
| CHEMBL17202 | 59595 | 0 | None | - | 0 | Human | 8.4 | pKi | = | 8.4 | Functional | ChEMBL | 499 | 9 | 2 | 7 | 4.2 | CCCn1c(=O)c2nc(-c3ccc(/C=C/C(=O)Nc4ccccc4C(C)=O)cc3)[nH]c2n(CCC)c1=O | 10.1021/jm990421v | ||
| 541759 | 170011 | 1 | None | - | 0 | Human | 8.4 | pKi | = | 8.4 | Functional | ChEMBL | 477 | 9 | 3 | 8 | 3.1 | CCCn1c(=O)c2nc(-c3ccc(OCC(=O)Nc4ccc(O)cc4)cc3)[nH]c2n(CCC)c1=O | 10.1021/jm990421v | ||
| CHEMBL444281 | 170011 | 1 | None | - | 0 | Human | 8.4 | pKi | = | 8.4 | Functional | ChEMBL | 477 | 9 | 3 | 8 | 3.1 | CCCn1c(=O)c2nc(-c3ccc(OCC(=O)Nc4ccc(O)cc4)cc3)[nH]c2n(CCC)c1=O | 10.1021/jm990421v | ||
| 9936467 | 58062 | 1 | None | - | 0 | Human | 8.4 | pKi | = | 8.4 | Functional | ChEMBL | 519 | 10 | 2 | 9 | 3.2 | CCCn1c(=O)c2nc(-c3ccc(OCC(=O)Nc4ccc(C(=O)OC)cc4)cc3)[nH]c2n(CCC)c1=O | 10.1021/jm990421v | ||
| CHEMBL16741 | 58062 | 1 | None | - | 0 | Human | 8.4 | pKi | = | 8.4 | Functional | ChEMBL | 519 | 10 | 2 | 9 | 3.2 | CCCn1c(=O)c2nc(-c3ccc(OCC(=O)Nc4ccc(C(=O)OC)cc4)cc3)[nH]c2n(CCC)c1=O | 10.1021/jm990421v | ||
| 155544096 | 173282 | 0 | None | - | 0 | Human | 5.5 | pKi | = | 5.5 | Functional | ChEMBL | 440 | 8 | 2 | 10 | 3.4 | Cn1cc2c(nc(NCCCCCNC(=O)OC(C)(C)C)n3nc(-c4ccco4)nc23)n1 | 10.1039/C9MD00014C | ||
| CHEMBL4526138 | 173282 | 0 | None | - | 0 | Human | 5.5 | pKi | = | 5.5 | Functional | ChEMBL | 440 | 8 | 2 | 10 | 3.4 | Cn1cc2c(nc(NCCCCCNC(=O)OC(C)(C)C)n3nc(-c4ccco4)nc23)n1 | 10.1039/C9MD00014C | ||
| 11053743 | 162854 | 0 | None | - | 0 | Human | 5.5 | pKi | = | 5.5 | Functional | ChEMBL | 239 | 2 | 1 | 5 | 2.1 | CCn1c(-c2ccccc2)nc2c(N)ncnc21 | 10.1016/j.ejmech.2018.03.067 | ||
| CHEMBL4173347 | 162854 | 0 | None | - | 0 | Human | 5.5 | pKi | = | 5.5 | Functional | ChEMBL | 239 | 2 | 1 | 5 | 2.1 | CCn1c(-c2ccccc2)nc2c(N)ncnc21 | 10.1016/j.ejmech.2018.03.067 | ||
| 118707855 | 113206 | 0 | None | - | 0 | Human | 5.5 | pKi | = | 5.5 | Functional | ChEMBL | 301 | 5 | 1 | 8 | 2.0 | CCNc1ncc(C(=O)OCC)c2nc(-c3ccco3)nn12 | 10.1021/jm500752h | ||
| CHEMBL3314888 | 113206 | 0 | None | - | 0 | Human | 5.5 | pKi | = | 5.5 | Functional | ChEMBL | 301 | 5 | 1 | 8 | 2.0 | CCNc1ncc(C(=O)OCC)c2nc(-c3ccco3)nn12 | 10.1021/jm500752h | ||
| 44447534 | 94952 | 0 | None | - | 0 | Human | 4.5 | pKi | = | 4.5 | Functional | ChEMBL | 442 | 5 | 4 | 11 | 0.0 | CNC(=O)OC[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCOC4)nc(Cl)nc32)[C@](C)(O)[C@@H]1O | 10.1016/j.bmc.2007.09.035 | ||
| CHEMBL254693 | 94952 | 0 | None | - | 0 | Human | 4.5 | pKi | = | 4.5 | Functional | ChEMBL | 442 | 5 | 4 | 11 | 0.0 | CNC(=O)OC[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCOC4)nc(Cl)nc32)[C@](C)(O)[C@@H]1O | 10.1016/j.bmc.2007.09.035 | ||
| 136199393 | 19205 | 0 | None | - | 0 | Human | 7.5 | pKi | = | 7.5 | Functional | ChEMBL | 521 | 9 | 2 | 5 | 5.7 | Cc1cc(-c2c(CCc3ccccc3)c3cc(OCC(=O)NC(C)(C)c4ccccc4)ccc3[nH]c2=O)on1 | 10.1016/j.bmcl.2010.10.030 | ||
| CHEMBL1290102 | 19205 | 0 | None | - | 0 | Human | 7.5 | pKi | = | 7.5 | Functional | ChEMBL | 521 | 9 | 2 | 5 | 5.7 | Cc1cc(-c2c(CCc3ccccc3)c3cc(OCC(=O)NC(C)(C)c4ccccc4)ccc3[nH]c2=O)on1 | 10.1016/j.bmcl.2010.10.030 | ||
| 52947452 | 19280 | 0 | None | - | 0 | Human | 6.5 | pKi | = | 6.5 | Functional | ChEMBL | 558 | 9 | 2 | 5 | 4.7 | CS(=O)(=O)c1c(CCc2ccccc2)c2cc(OCC(=O)NCc3ccc(Cl)c(Cl)c3)ccc2[nH]c1=O | 10.1016/j.bmcl.2010.10.030 | ||
| CHEMBL1290543 | 19280 | 0 | None | - | 0 | Human | 6.5 | pKi | = | 6.5 | Functional | ChEMBL | 558 | 9 | 2 | 5 | 4.7 | CS(=O)(=O)c1c(CCc2ccccc2)c2cc(OCC(=O)NCc3ccc(Cl)c(Cl)c3)ccc2[nH]c1=O | 10.1016/j.bmcl.2010.10.030 | ||
| 71461028 | 82898 | 0 | None | - | 0 | Human | 5.5 | pKi | = | 5.5 | Functional | ChEMBL | 363 | 4 | 1 | 8 | 3.0 | Cn1cc2c(nc(NCc3ccc(F)cc3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm300899q | ||
| CHEMBL2180936 | 82898 | 0 | None | - | 0 | Human | 5.5 | pKi | = | 5.5 | Functional | ChEMBL | 363 | 4 | 1 | 8 | 3.0 | Cn1cc2c(nc(NCc3ccc(F)cc3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm300899q | ||
| 127038355 | 136683 | 0 | None | - | 0 | Human | 5.5 | pKi | = | 5.5 | Functional | ChEMBL | 359 | 6 | 1 | 5 | 3.7 | CCCn1c(Br)nc2c(NCCc3ccccc3)ncnc21 | 10.1039/C5MD00034C | ||
| CHEMBL3740619 | 136683 | 0 | None | - | 0 | Human | 5.5 | pKi | = | 5.5 | Functional | ChEMBL | 359 | 6 | 1 | 5 | 3.7 | CCCn1c(Br)nc2c(NCCc3ccccc3)ncnc21 | 10.1039/C5MD00034C | ||
| 52941244 | 19219 | 0 | None | - | 0 | Human | 6.5 | pKi | = | 6.5 | Functional | ChEMBL | 509 | 9 | 2 | 5 | 5.7 | C[C@@H](NC(=O)COc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccccc3)c2c1)c1ccccc1 | 10.1016/j.bmcl.2010.10.030 | ||
| CHEMBL1290209 | 19219 | 0 | None | - | 0 | Human | 6.5 | pKi | = | 6.5 | Functional | ChEMBL | 509 | 9 | 2 | 5 | 5.7 | C[C@@H](NC(=O)COc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccccc3)c2c1)c1ccccc1 | 10.1016/j.bmcl.2010.10.030 | ||
| 14426726 | 181613 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Functional | ChEMBL | 353 | 4 | 3 | 8 | 1.0 | O[C@@H]1[C@@H](CCl)O[C@@H](n2cnc3c(NC4CCCC4)ncnc32)[C@@H]1O | 10.1021/jm801456g | ||
| CHEMBL477444 | 181613 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Functional | ChEMBL | 353 | 4 | 3 | 8 | 1.0 | O[C@@H]1[C@@H](CCl)O[C@@H](n2cnc3c(NC4CCCC4)ncnc32)[C@@H]1O | 10.1021/jm801456g | ||
| 9807634 | 59854 | 0 | None | - | 0 | Human | 7.5 | pKi | = | 7.5 | Functional | ChEMBL | 551 | 11 | 2 | 7 | 4.7 | CCCn1c(=O)c2nc(-c3ccc(OCC(=O)NC(c4ccccc4)c4ccccc4)cc3)[nH]c2n(CCC)c1=O | 10.1021/jm990421v | ||
| CHEMBL17299 | 59854 | 0 | None | - | 0 | Human | 7.5 | pKi | = | 7.5 | Functional | ChEMBL | 551 | 11 | 2 | 7 | 4.7 | CCCn1c(=O)c2nc(-c3ccc(OCC(=O)NC(c4ccccc4)c4ccccc4)cc3)[nH]c2n(CCC)c1=O | 10.1021/jm990421v | ||
| 52950027 | 19111 | 0 | None | - | 0 | Human | 6.5 | pKi | = | 6.5 | Functional | ChEMBL | 478 | 9 | 2 | 4 | 5.3 | O=C(COc1ccc2[nH]c(=O)c(-c3ccco3)c(CCc3ccccc3)c2c1)NCc1ccccc1 | 10.1016/j.bmcl.2010.10.030 | ||
| CHEMBL1289461 | 19111 | 0 | None | - | 0 | Human | 6.5 | pKi | = | 6.5 | Functional | ChEMBL | 478 | 9 | 2 | 4 | 5.3 | O=C(COc1ccc2[nH]c(=O)c(-c3ccco3)c(CCc3ccccc3)c2c1)NCc1ccccc1 | 10.1016/j.bmcl.2010.10.030 | ||
| 71453874 | 82892 | 0 | None | - | 0 | Human | 5.5 | pKi | = | 5.5 | Functional | ChEMBL | 345 | 4 | 1 | 8 | 2.9 | Cn1cc2c(nc(NCc3ccccc3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm300899q | ||
| CHEMBL2180930 | 82892 | 0 | None | - | 0 | Human | 5.5 | pKi | = | 5.5 | Functional | ChEMBL | 345 | 4 | 1 | 8 | 2.9 | Cn1cc2c(nc(NCc3ccccc3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm300899q | ||
| 2519 | 776 | 86 | None | -17378 | 8 | Human | 4.5 | pKi | = | 4.5 | Functional | ChEMBL | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | 10.1016/j.ejmech.2021.113907 | ||
| 407 | 776 | 86 | None | -17378 | 8 | Human | 4.5 | pKi | = | 4.5 | Functional | ChEMBL | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | 10.1016/j.ejmech.2021.113907 | ||
| 463 | 776 | 86 | None | -17378 | 8 | Human | 4.5 | pKi | = | 4.5 | Functional | ChEMBL | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | 10.1016/j.ejmech.2021.113907 | ||
| CHEMBL113 | 776 | 86 | None | -17378 | 8 | Human | 4.5 | pKi | = | 4.5 | Functional | ChEMBL | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | 10.1016/j.ejmech.2021.113907 | ||
| DB00201 | 776 | 86 | None | -17378 | 8 | Human | 4.5 | pKi | = | 4.5 | Functional | ChEMBL | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | 10.1016/j.ejmech.2021.113907 | ||
| 52950028 | 19112 | 0 | None | - | 0 | Human | 5.5 | pKi | = | 5.5 | Functional | ChEMBL | 461 | 7 | 2 | 5 | 4.7 | CC(C)(C)NC(=O)COc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccccc3)c2c1 | 10.1016/j.bmcl.2010.10.030 | ||
| CHEMBL1289462 | 19112 | 0 | None | - | 0 | Human | 5.5 | pKi | = | 5.5 | Functional | ChEMBL | 461 | 7 | 2 | 5 | 4.7 | CC(C)(C)NC(=O)COc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccccc3)c2c1 | 10.1016/j.bmcl.2010.10.030 | ||
| 11623934 | 162026 | 0 | None | - | 0 | Human | 5.5 | pKi | = | 5.5 | Functional | ChEMBL | 321 | 5 | 1 | 5 | 4.3 | CCCn1c(-c2ccccc2)nc2c(NC3CCCC3)ncnc21 | 10.1016/j.ejmech.2018.03.067 | ||
| CHEMBL4160264 | 162026 | 0 | None | - | 0 | Human | 5.5 | pKi | = | 5.5 | Functional | ChEMBL | 321 | 5 | 1 | 5 | 4.3 | CCCn1c(-c2ccccc2)nc2c(NC3CCCC3)ncnc21 | 10.1016/j.ejmech.2018.03.067 | ||
| 52941597 | 19060 | 0 | None | - | 0 | Human | 5.5 | pKi | = | 5.5 | Functional | ChEMBL | 357 | 5 | 1 | 4 | 2.7 | COc1ccc2[nH]c(=O)c(S(C)(=O)=O)c(CCc3ccccc3)c2c1 | 10.1016/j.bmcl.2010.10.030 | ||
| CHEMBL1289109 | 19060 | 0 | None | - | 0 | Human | 5.5 | pKi | = | 5.5 | Functional | ChEMBL | 357 | 5 | 1 | 4 | 2.7 | COc1ccc2[nH]c(=O)c(S(C)(=O)=O)c(CCc3ccccc3)c2c1 | 10.1016/j.bmcl.2010.10.030 | ||
| CHEMBL5092788 | 215366 | 0 | None | - | 0 | Human | 7.5 | pKi | = | 7.5 | Functional | ChEMBL | None | None | None | C#CCCCCNC(=O)C12CCC(c3nc4c(=O)n(CCCC)c(=O)n(CCCNC(=O)c5ccc(S(=O)(=O)F)cc5)c4[nH]3)(CC1)CC2 | 10.1021/acs.jmedchem.0c02169 | ||||
| 76335303 | 103672 | 0 | None | - | 0 | Human | 6.5 | pKi | = | 6.5 | Functional | ChEMBL | 259 | 4 | 2 | 7 | 1.1 | Nc1ncnc2c1nc(-c1ccco1)n2CCCO | 10.1016/j.ejmech.2013.10.006 | ||
| CHEMBL3087707 | 103672 | 0 | None | - | 0 | Human | 6.5 | pKi | = | 6.5 | Functional | ChEMBL | 259 | 4 | 2 | 7 | 1.1 | Nc1ncnc2c1nc(-c1ccco1)n2CCCO | 10.1016/j.ejmech.2013.10.006 | ||
| 52945098 | 19321 | 0 | None | - | 0 | Human | 6.5 | pKi | = | 6.5 | Functional | ChEMBL | 504 | 9 | 1 | 6 | 3.4 | Cn1c(=O)c(S(C)(=O)=O)c(CCc2ccccc2)c2cc(OCC(=O)NCc3ccccc3)ccc21 | 10.1016/j.bmcl.2010.10.030 | ||
| CHEMBL1290782 | 19321 | 0 | None | - | 0 | Human | 6.5 | pKi | = | 6.5 | Functional | ChEMBL | 504 | 9 | 1 | 6 | 3.4 | Cn1c(=O)c(S(C)(=O)=O)c(CCc2ccccc2)c2cc(OCC(=O)NCc3ccccc3)ccc21 | 10.1016/j.bmcl.2010.10.030 | ||
| 145987819 | 167130 | 0 | None | - | 0 | Human | 5.4 | pKi | = | 5.4 | Functional | ChEMBL | 363 | 5 | 1 | 8 | 3.3 | CNc1ncc(C(=O)OC(C)c2ccccc2)c2nc(-c3ccco3)nn12 | 10.1016/j.ejmech.2018.08.042 | ||
| CHEMBL4290842 | 167130 | 0 | None | - | 0 | Human | 5.4 | pKi | = | 5.4 | Functional | ChEMBL | 363 | 5 | 1 | 8 | 3.3 | CNc1ncc(C(=O)OC(C)c2ccccc2)c2nc(-c3ccco3)nn12 | 10.1016/j.ejmech.2018.08.042 | ||
| 11492857 | 162327 | 0 | None | - | 0 | Human | 5.4 | pKi | = | 5.4 | Functional | ChEMBL | 279 | 3 | 1 | 5 | 3.0 | Cn1c(-c2ccccc2)nc2c(NC3CCC3)ncnc21 | 10.1016/j.ejmech.2018.03.067 | ||
| CHEMBL4165013 | 162327 | 0 | None | - | 0 | Human | 5.4 | pKi | = | 5.4 | Functional | ChEMBL | 279 | 3 | 1 | 5 | 3.0 | Cn1c(-c2ccccc2)nc2c(NC3CCC3)ncnc21 | 10.1016/j.ejmech.2018.03.067 | ||
| 11229946 | 103680 | 1 | None | - | 0 | Human | 6.4 | pKi | = | 6.4 | Functional | ChEMBL | 229 | 2 | 1 | 6 | 1.7 | CCn1c(-c2ccco2)nc2c(N)ncnc21 | 10.1016/j.ejmech.2013.10.006 | ||
| CHEMBL3087715 | 103680 | 1 | None | - | 0 | Human | 6.4 | pKi | = | 6.4 | Functional | ChEMBL | 229 | 2 | 1 | 6 | 1.7 | CCn1c(-c2ccco2)nc2c(N)ncnc21 | 10.1016/j.ejmech.2013.10.006 | ||
| 71457405 | 82915 | 0 | None | - | 0 | Human | 5.4 | pKi | = | 5.4 | Functional | ChEMBL | 311 | 4 | 1 | 8 | 2.5 | CCC(C)Nc1nc2nn(C)cc2c2nc(-c3ccco3)nn12 | 10.1021/jm300899q | ||
| CHEMBL2181150 | 82915 | 0 | None | - | 0 | Human | 5.4 | pKi | = | 5.4 | Functional | ChEMBL | 311 | 4 | 1 | 8 | 2.5 | CCC(C)Nc1nc2nn(C)cc2c2nc(-c3ccco3)nn12 | 10.1021/jm300899q | ||
| 71455619 | 82903 | 0 | None | - | 0 | Human | 5.4 | pKi | = | 5.4 | Functional | ChEMBL | 419 | 7 | 1 | 10 | 2.9 | COc1ccc(CCNc2nc3nn(C)cc3c3nc(-c4ccco4)nn23)cc1OC | 10.1021/jm300899q | ||
| CHEMBL2181139 | 82903 | 0 | None | - | 0 | Human | 5.4 | pKi | = | 5.4 | Functional | ChEMBL | 419 | 7 | 1 | 10 | 2.9 | COc1ccc(CCNc2nc3nn(C)cc3c3nc(-c4ccco4)nn23)cc1OC | 10.1021/jm300899q | ||
| 10085373 | 10396 | 6 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Functional | ChEMBL | 286 | 2 | 1 | 6 | 0.6 | COc1ccc(-c2nc3c(=O)n(C)c(=O)n(C)c3[nH]2)cc1 | 10.1016/j.ejmech.2010.04.039 | ||
| CHEMBL11635 | 10396 | 6 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Functional | ChEMBL | 286 | 2 | 1 | 6 | 0.6 | COc1ccc(-c2nc3c(=O)n(C)c(=O)n(C)c3[nH]2)cc1 | 10.1016/j.ejmech.2010.04.039 | ||
| 71455603 | 82895 | 0 | None | - | 0 | Human | 5.4 | pKi | = | 5.4 | Functional | ChEMBL | 359 | 4 | 1 | 8 | 3.2 | Cc1ccc(CNc2nc3nn(C)cc3c3nc(-c4ccco4)nn23)cc1 | 10.1021/jm300899q | ||
| CHEMBL2180933 | 82895 | 0 | None | - | 0 | Human | 5.4 | pKi | = | 5.4 | Functional | ChEMBL | 359 | 4 | 1 | 8 | 3.2 | Cc1ccc(CNc2nc3nn(C)cc3c3nc(-c4ccco4)nn23)cc1 | 10.1021/jm300899q | ||
| 71455622 | 82918 | 0 | None | - | 0 | Human | 5.4 | pKi | = | 5.4 | Functional | ChEMBL | 325 | 6 | 1 | 8 | 2.9 | CCCCCNc1nc2nn(C)cc2c2nc(-c3ccco3)nn12 | 10.1021/jm300899q | ||
| CHEMBL2181153 | 82918 | 0 | None | - | 0 | Human | 5.4 | pKi | = | 5.4 | Functional | ChEMBL | 325 | 6 | 1 | 8 | 2.9 | CCCCCNc1nc2nn(C)cc2c2nc(-c3ccco3)nn12 | 10.1021/jm300899q | ||
| 57429649 | 158918 | 0 | None | - | 0 | Human | 8.4 | pKi | = | 8.4 | Functional | ChEMBL | 572 | 8 | 1 | 9 | 2.9 | CCCn1c(=O)c2[nH]c(-c3cnn(CC(=O)N4CCN(c5cccc(C(F)(F)F)c5)CC4)c3)nc2n(CCC)c1=O | 10.1016/j.ejmech.2021.113907 | ||
| CHEMBL4095843 | 158918 | 0 | None | - | 0 | Human | 8.4 | pKi | = | 8.4 | Functional | ChEMBL | 572 | 8 | 1 | 9 | 2.9 | CCCn1c(=O)c2[nH]c(-c3cnn(CC(=O)N4CCN(c5cccc(C(F)(F)F)c5)CC4)c3)nc2n(CCC)c1=O | 10.1016/j.ejmech.2021.113907 | ||
| 66892867 | 156295 | 0 | None | - | 0 | Human | 8.4 | pKi | = | 8.4 | Functional | ChEMBL | 479 | 7 | 1 | 8 | 2.4 | CCCn1c(=O)c2[nH]c(-c3cnn(CC4CC(=O)N(c5ccc(F)cc5)C4)c3)nc2n(CC)c1=O | 10.1016/j.ejmech.2016.11.007 | ||
| CHEMBL4065629 | 156295 | 0 | None | - | 0 | Human | 8.4 | pKi | = | 8.4 | Functional | ChEMBL | 479 | 7 | 1 | 8 | 2.4 | CCCn1c(=O)c2[nH]c(-c3cnn(CC4CC(=O)N(c5ccc(F)cc5)C4)c3)nc2n(CC)c1=O | 10.1016/j.ejmech.2016.11.007 | ||
| 57429649 | 158918 | 0 | None | - | 0 | Human | 8.4 | pKi | = | 8.4 | Functional | ChEMBL | 572 | 8 | 1 | 9 | 2.9 | CCCn1c(=O)c2[nH]c(-c3cnn(CC(=O)N4CCN(c5cccc(C(F)(F)F)c5)CC4)c3)nc2n(CCC)c1=O | 10.1016/j.ejmech.2016.11.007 | ||
| CHEMBL4095843 | 158918 | 0 | None | - | 0 | Human | 8.4 | pKi | = | 8.4 | Functional | ChEMBL | 572 | 8 | 1 | 9 | 2.9 | CCCn1c(=O)c2[nH]c(-c3cnn(CC(=O)N4CCN(c5cccc(C(F)(F)F)c5)CC4)c3)nc2n(CCC)c1=O | 10.1016/j.ejmech.2016.11.007 | ||
| 11690712 | 77763 | 0 | None | - | 0 | Human | 8.4 | pKi | = | 8.4 | Functional | ChEMBL | 439 | 7 | 3 | 6 | 2.0 | CCCn1c(=O)[nH]c2[nH]c(-c3ccc(S(=O)(=O)NCc4ccccc4)cc3)nc2c1=O | 10.1016/j.ejmech.2010.04.039 | ||
| CHEMBL209230 | 77763 | 0 | None | - | 0 | Human | 8.4 | pKi | = | 8.4 | Functional | ChEMBL | 439 | 7 | 3 | 6 | 2.0 | CCCn1c(=O)[nH]c2[nH]c(-c3ccc(S(=O)(=O)NCc4ccccc4)cc3)nc2c1=O | 10.1016/j.ejmech.2010.04.039 | ||
| 52946453 | 19191 | 0 | None | - | 0 | Human | 8.4 | pKi | = | 8.4 | Functional | ChEMBL | 521 | 9 | 2 | 5 | 5.6 | O=C(COc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccccc3)c2c1)NC1(c2ccccc2)CC1 | 10.1016/j.bmcl.2010.10.030 | ||
| CHEMBL1290001 | 19191 | 0 | None | - | 0 | Human | 8.4 | pKi | = | 8.4 | Functional | ChEMBL | 521 | 9 | 2 | 5 | 5.6 | O=C(COc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccccc3)c2c1)NC1(c2ccccc2)CC1 | 10.1016/j.bmcl.2010.10.030 | ||
| 44404010 | 72548 | 0 | None | - | 0 | Human | 8.3 | pKi | = | 8.3 | Functional | ChEMBL | 480 | 9 | 2 | 8 | 2.9 | CCCn1c(=O)c2nc(-c3ccc(OCC(=O)Nc4ccc(F)cc4)nc3)[nH]c2n(CCC)c1=O | 10.1021/jm049418o | ||
| CHEMBL199249 | 72548 | 0 | None | - | 0 | Human | 8.3 | pKi | = | 8.3 | Functional | ChEMBL | 480 | 9 | 2 | 8 | 2.9 | CCCn1c(=O)c2nc(-c3ccc(OCC(=O)Nc4ccc(F)cc4)nc3)[nH]c2n(CCC)c1=O | 10.1021/jm049418o | ||
| 135528632 | 72534 | 0 | None | - | 0 | Human | 8.3 | pKi | = | 8.3 | Functional | ChEMBL | 329 | 5 | 2 | 7 | 1.5 | CCCn1c(=O)c2nc(-c3ccc(O)nc3)[nH]c2n(CCC)c1=O | 10.1021/jm049418o | ||
| CHEMBL199196 | 72534 | 0 | None | - | 0 | Human | 8.3 | pKi | = | 8.3 | Functional | ChEMBL | 329 | 5 | 2 | 7 | 1.5 | CCCn1c(=O)c2nc(-c3ccc(O)nc3)[nH]c2n(CCC)c1=O | 10.1021/jm049418o | ||
| 9870719 | 57387 | 0 | None | - | 0 | Human | 8.3 | pKi | = | 8.3 | Functional | ChEMBL | 503 | 10 | 2 | 8 | 3.6 | CCCn1c(=O)c2nc(-c3ccc(OCC(=O)Nc4cccc(C(C)=O)c4)cc3)[nH]c2n(CCC)c1=O | 10.1021/jm990421v | ||
| CHEMBL16534 | 57387 | 0 | None | - | 0 | Human | 8.3 | pKi | = | 8.3 | Functional | ChEMBL | 503 | 10 | 2 | 8 | 3.6 | CCCn1c(=O)c2nc(-c3ccc(OCC(=O)Nc4cccc(C(C)=O)c4)cc3)[nH]c2n(CCC)c1=O | 10.1021/jm990421v | ||
| 126079 | 4069 | 31 | None | - | 0 | Human | 7.4 | pKi | = | 7.4 | Functional | ChEMBL | 386 | 8 | 2 | 7 | 1.8 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)O | 10.1021/jm990421v | ||
| 451 | 4069 | 31 | None | - | 0 | Human | 7.4 | pKi | = | 7.4 | Functional | ChEMBL | 386 | 8 | 2 | 7 | 1.8 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)O | 10.1021/jm990421v | ||
| CHEMBL27041 | 4069 | 31 | None | - | 0 | Human | 7.4 | pKi | = | 7.4 | Functional | ChEMBL | 386 | 8 | 2 | 7 | 1.8 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)O | 10.1021/jm990421v | ||
| 52950027 | 19111 | 0 | None | - | 0 | Human | 6.4 | pKi | = | 6.4 | Functional | ChEMBL | 478 | 9 | 2 | 4 | 5.3 | O=C(COc1ccc2[nH]c(=O)c(-c3ccco3)c(CCc3ccccc3)c2c1)NCc1ccccc1 | 10.1016/j.bmcl.2010.10.030 | ||
| CHEMBL1289461 | 19111 | 0 | None | - | 0 | Human | 6.4 | pKi | = | 6.4 | Functional | ChEMBL | 478 | 9 | 2 | 4 | 5.3 | O=C(COc1ccc2[nH]c(=O)c(-c3ccco3)c(CCc3ccccc3)c2c1)NCc1ccccc1 | 10.1016/j.bmcl.2010.10.030 | ||
| 52950000 | 19094 | 0 | None | - | 0 | Human | 6.4 | pKi | = | 6.4 | Functional | ChEMBL | 505 | 8 | 2 | 4 | 5.2 | N#Cc1c(CCc2ccccc2)c2cc(OCC(=O)NCc3ccc(Cl)c(Cl)c3)ccc2[nH]c1=O | 10.1016/j.bmcl.2010.10.030 | ||
| CHEMBL1289344 | 19094 | 0 | None | - | 0 | Human | 6.4 | pKi | = | 6.4 | Functional | ChEMBL | 505 | 8 | 2 | 4 | 5.2 | N#Cc1c(CCc2ccccc2)c2cc(OCC(=O)NCc3ccc(Cl)c(Cl)c3)ccc2[nH]c1=O | 10.1016/j.bmcl.2010.10.030 | ||
| 52948915 | 19263 | 0 | None | - | 0 | Human | 7.4 | pKi | = | 7.4 | Functional | ChEMBL | 541 | 9 | 2 | 5 | 6.0 | CC(C)(NC(=O)COc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccc(F)cc3)c2c1)c1ccccc1 | 10.1016/j.bmcl.2010.10.030 | ||
| CHEMBL1290437 | 19263 | 0 | None | - | 0 | Human | 7.4 | pKi | = | 7.4 | Functional | ChEMBL | 541 | 9 | 2 | 5 | 6.0 | CC(C)(NC(=O)COc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccc(F)cc3)c2c1)c1ccccc1 | 10.1016/j.bmcl.2010.10.030 | ||
| 44572409 | 189667 | 0 | None | - | 0 | Human | 5.4 | pKi | = | 5.4 | Functional | ChEMBL | 267 | 1 | 1 | 5 | 1.9 | Nc1ncnc2c1nc(Br)n2C1CCC1 | 10.1016/j.bmc.2009.02.030 | ||
| CHEMBL515419 | 189667 | 0 | None | - | 0 | Human | 5.4 | pKi | = | 5.4 | Functional | ChEMBL | 267 | 1 | 1 | 5 | 1.9 | Nc1ncnc2c1nc(Br)n2C1CCC1 | 10.1016/j.bmc.2009.02.030 | ||
| 123807 | 868 | 54 | None | -12022 | 7 | Human | 7.4 | pKi | = | 7.4 | Functional | ChEMBL | 369 | 4 | 4 | 9 | 0.4 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(Cl)nc2NC1CCCC1 | 10.1016/j.bmc.2007.09.035 | ||
| 374 | 868 | 54 | None | -12022 | 7 | Human | 7.4 | pKi | = | 7.4 | Functional | ChEMBL | 369 | 4 | 4 | 9 | 0.4 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(Cl)nc2NC1CCCC1 | 10.1016/j.bmc.2007.09.035 | ||
| 379 | 868 | 54 | None | -12022 | 7 | Human | 7.4 | pKi | = | 7.4 | Functional | ChEMBL | 369 | 4 | 4 | 9 | 0.4 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(Cl)nc2NC1CCCC1 | 10.1016/j.bmc.2007.09.035 | ||
| CHEMBL284969 | 868 | 54 | None | -12022 | 7 | Human | 7.4 | pKi | = | 7.4 | Functional | ChEMBL | 369 | 4 | 4 | 9 | 0.4 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(Cl)nc2NC1CCCC1 | 10.1016/j.bmc.2007.09.035 | ||
| 176407 | 4117 | 84 | None | -13 | 2 | Human | 7.4 | pKi | = | 7.4 | Functional | ChEMBL | 337 | 5 | 3 | 9 | 1.7 | Oc1ccc(cc1)CCNc1nc(N)n2c(n1)nc(n2)c1ccco1 | 10.1021/jm900718w | ||
| 405 | 4117 | 84 | None | -13 | 2 | Human | 7.4 | pKi | = | 7.4 | Functional | ChEMBL | 337 | 5 | 3 | 9 | 1.7 | Oc1ccc(cc1)CCNc1nc(N)n2c(n1)nc(n2)c1ccco1 | 10.1021/jm900718w | ||
| CHEMBL113142 | 4117 | 84 | None | -13 | 2 | Human | 7.4 | pKi | = | 7.4 | Functional | ChEMBL | 337 | 5 | 3 | 9 | 1.7 | Oc1ccc(cc1)CCNc1nc(N)n2c(n1)nc(n2)c1ccco1 | 10.1021/jm900718w | ||
| DB08770 | 4117 | 84 | None | -13 | 2 | Human | 7.4 | pKi | = | 7.4 | Functional | ChEMBL | 337 | 5 | 3 | 9 | 1.7 | Oc1ccc(cc1)CCNc1nc(N)n2c(n1)nc(n2)c1ccco1 | 10.1021/jm900718w | ||
| 44572355 | 179560 | 0 | None | - | 0 | Human | 5.4 | pKi | = | 5.4 | Functional | ChEMBL | 269 | 2 | 1 | 5 | 1.8 | CC(C)Cn1c(Br)nc2c(N)ncnc21 | 10.1016/j.ejmech.2010.04.039 | ||
| CHEMBL474207 | 179560 | 0 | None | - | 0 | Human | 5.4 | pKi | = | 5.4 | Functional | ChEMBL | 269 | 2 | 1 | 5 | 1.8 | CC(C)Cn1c(Br)nc2c(N)ncnc21 | 10.1016/j.ejmech.2010.04.039 | ||
| 44572355 | 179560 | 0 | None | - | 0 | Human | 5.4 | pKi | = | 5.4 | Functional | ChEMBL | 269 | 2 | 1 | 5 | 1.8 | CC(C)Cn1c(Br)nc2c(N)ncnc21 | 10.1016/j.bmc.2009.02.030 | ||
| CHEMBL474207 | 179560 | 0 | None | - | 0 | Human | 5.4 | pKi | = | 5.4 | Functional | ChEMBL | 269 | 2 | 1 | 5 | 1.8 | CC(C)Cn1c(Br)nc2c(N)ncnc21 | 10.1016/j.bmc.2009.02.030 | ||
| 380 | 1276 | 54 | None | - | 5 | Human | 7.4 | pKi | = | 7.4 | Functional | ChEMBL | 335 | 4 | 4 | 9 | -0.2 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NC1CCCC1 | 10.1016/j.bmc.2007.09.035 | ||
| 657378 | 1276 | 54 | None | - | 5 | Human | 7.4 | pKi | = | 7.4 | Functional | ChEMBL | 335 | 4 | 4 | 9 | -0.2 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NC1CCCC1 | 10.1016/j.bmc.2007.09.035 | ||
| CHEMBL68738 | 1276 | 54 | None | - | 5 | Human | 7.4 | pKi | = | 7.4 | Functional | ChEMBL | 335 | 4 | 4 | 9 | -0.2 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NC1CCCC1 | 10.1016/j.bmc.2007.09.035 | ||
| 9915751 | 59099 | 0 | None | - | 0 | Human | 7.4 | pKi | = | 7.4 | Functional | ChEMBL | 557 | 14 | 1 | 11 | 1.7 | CCCn1c(=O)c2nc(-c3ccc(OCC(=O)N(CC(=O)OCC)CC(=O)OCC)cc3)[nH]c2n(CCC)c1=O | 10.1021/jm990421v | ||
| CHEMBL16984 | 59099 | 0 | None | - | 0 | Human | 7.4 | pKi | = | 7.4 | Functional | ChEMBL | 557 | 14 | 1 | 11 | 1.7 | CCCn1c(=O)c2nc(-c3ccc(OCC(=O)N(CC(=O)OCC)CC(=O)OCC)cc3)[nH]c2n(CCC)c1=O | 10.1021/jm990421v | ||
| 44447542 | 154766 | 0 | None | - | 0 | Human | 5.4 | pKi | = | 5.4 | Functional | ChEMBL | 351 | 4 | 4 | 10 | -1.0 | C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N[C@@H]3CCOC3)ncnc21 | 10.1016/j.bmc.2007.09.035 | ||
| CHEMBL400190 | 154766 | 0 | None | - | 0 | Human | 5.4 | pKi | = | 5.4 | Functional | ChEMBL | 351 | 4 | 4 | 10 | -1.0 | C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N[C@@H]3CCOC3)ncnc21 | 10.1016/j.bmc.2007.09.035 | ||
| 44447548 | 154862 | 0 | None | - | 0 | Human | 5.4 | pKi | = | 5.4 | Functional | ChEMBL | 385 | 4 | 4 | 10 | -0.3 | C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N[C@@H]3CCOC3)nc(Cl)nc21 | 10.1016/j.bmc.2007.09.035 | ||
| CHEMBL400782 | 154862 | 0 | None | - | 0 | Human | 5.4 | pKi | = | 5.4 | Functional | ChEMBL | 385 | 4 | 4 | 10 | -0.3 | C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N[C@@H]3CCOC3)nc(Cl)nc21 | 10.1016/j.bmc.2007.09.035 | ||
| 44572408 | 188836 | 0 | None | - | 0 | Human | 5.3 | pKi | = | 5.3 | Functional | ChEMBL | 253 | 2 | 1 | 5 | 1.4 | C=CCn1c(Br)nc2c(N)ncnc21 | 10.1016/j.bmc.2009.02.030 | ||
| CHEMBL506888 | 188836 | 0 | None | - | 0 | Human | 5.3 | pKi | = | 5.3 | Functional | ChEMBL | 253 | 2 | 1 | 5 | 1.4 | C=CCn1c(Br)nc2c(N)ncnc21 | 10.1016/j.bmc.2009.02.030 | ||
| 127042409 | 136749 | 0 | None | - | 0 | Human | 5.3 | pKi | = | 5.3 | Functional | ChEMBL | 348 | 6 | 2 | 7 | 3.7 | CCCn1c(-c2ccco2)nc2c(N)nc(NCc3ccccc3)nc21 | 10.1039/C5MD00034C | ||
| CHEMBL3741217 | 136749 | 0 | None | - | 0 | Human | 5.3 | pKi | = | 5.3 | Functional | ChEMBL | 348 | 6 | 2 | 7 | 3.7 | CCCn1c(-c2ccco2)nc2c(N)nc(NCc3ccccc3)nc21 | 10.1039/C5MD00034C | ||
| 118707860 | 113211 | 0 | None | - | 0 | Human | 5.3 | pKi | = | 5.3 | Functional | ChEMBL | 341 | 5 | 1 | 8 | 2.9 | CCOC(=O)c1cnc(NC2CCCC2)n2nc(-c3ccco3)nc12 | 10.1021/jm500752h | ||
| CHEMBL3314893 | 113211 | 0 | None | - | 0 | Human | 5.3 | pKi | = | 5.3 | Functional | ChEMBL | 341 | 5 | 1 | 8 | 2.9 | CCOC(=O)c1cnc(NC2CCCC2)n2nc(-c3ccco3)nc12 | 10.1021/jm500752h | ||
| 9912946 | 58972 | 0 | None | - | 0 | Human | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 478 | 7 | 2 | 6 | 3.7 | O=C(O)/C=C/c1ccc(-c2nc3c(=O)n(Cc4ccccc4)c(=O)n(Cc4ccccc4)c3[nH]2)cc1 | 10.1021/jm990421v | ||
| CHEMBL16908 | 58972 | 0 | None | - | 0 | Human | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 478 | 7 | 2 | 6 | 3.7 | O=C(O)/C=C/c1ccc(-c2nc3c(=O)n(Cc4ccccc4)c(=O)n(Cc4ccccc4)c3[nH]2)cc1 | 10.1021/jm990421v | ||
| 76335305 | 103682 | 0 | None | - | 0 | Human | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 245 | 3 | 2 | 7 | 0.7 | Nc1ncnc2c1nc(-c1ccco1)n2CCO | 10.1016/j.ejmech.2013.10.006 | ||
| CHEMBL3087717 | 103682 | 0 | None | - | 0 | Human | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 245 | 3 | 2 | 7 | 0.7 | Nc1ncnc2c1nc(-c1ccco1)n2CCO | 10.1016/j.ejmech.2013.10.006 | ||
| 10387088 | 59426 | 0 | None | - | 0 | Human | 7.3 | pKi | = | 7.3 | Functional | ChEMBL | 414 | 10 | 2 | 7 | 2.6 | CCCCn1c(=O)c2nc(-c3ccc(OCC(=O)O)cc3)[nH]c2n(CCCC)c1=O | 10.1021/jm990421v | ||
| CHEMBL17123 | 59426 | 0 | None | - | 0 | Human | 7.3 | pKi | = | 7.3 | Functional | ChEMBL | 414 | 10 | 2 | 7 | 2.6 | CCCCn1c(=O)c2nc(-c3ccc(OCC(=O)O)cc3)[nH]c2n(CCCC)c1=O | 10.1021/jm990421v | ||
| 71455621 | 82917 | 0 | None | - | 0 | Human | 5.3 | pKi | = | 5.3 | Functional | ChEMBL | 311 | 4 | 1 | 8 | 2.5 | CC[C@@H](C)Nc1nc2nn(C)cc2c2nc(-c3ccco3)nn12 | 10.1021/jm300899q | ||
| CHEMBL2181152 | 82917 | 0 | None | - | 0 | Human | 5.3 | pKi | = | 5.3 | Functional | ChEMBL | 311 | 4 | 1 | 8 | 2.5 | CC[C@@H](C)Nc1nc2nn(C)cc2c2nc(-c3ccco3)nn12 | 10.1021/jm300899q | ||
| 118707864 | 113215 | 0 | None | - | 0 | Human | 5.3 | pKi | = | 5.3 | Functional | ChEMBL | 393 | 7 | 1 | 9 | 3.2 | CCOC(=O)c1cnc(NCc2ccc(OC)cc2)n2nc(-c3ccco3)nc12 | 10.1021/jm500752h | ||
| CHEMBL3314897 | 113215 | 0 | None | - | 0 | Human | 5.3 | pKi | = | 5.3 | Functional | ChEMBL | 393 | 7 | 1 | 9 | 3.2 | CCOC(=O)c1cnc(NCc2ccc(OC)cc2)n2nc(-c3ccco3)nc12 | 10.1021/jm500752h | ||
| 44582613 | 181614 | 0 | None | - | 0 | Human | 5.3 | pKi | = | 5.3 | Functional | ChEMBL | 387 | 4 | 3 | 8 | 1.7 | O[C@@H]1[C@@H](CCl)O[C@@H](n2cnc3c(NC4CCCC4)nc(Cl)nc32)[C@@H]1O | 10.1021/jm801456g | ||
| CHEMBL477445 | 181614 | 0 | None | - | 0 | Human | 5.3 | pKi | = | 5.3 | Functional | ChEMBL | 387 | 4 | 3 | 8 | 1.7 | O[C@@H]1[C@@H](CCl)O[C@@H](n2cnc3c(NC4CCCC4)nc(Cl)nc32)[C@@H]1O | 10.1021/jm801456g | ||
| 118707847 | 113197 | 0 | None | - | 0 | Human | 5.3 | pKi | = | 5.3 | Functional | ChEMBL | 376 | 5 | 2 | 7 | 1.9 | CNC(=O)c1cnc(NC(=O)Cc2ccccc2)n2nc(-c3ccco3)nc12 | 10.1021/jm500752h | ||
| CHEMBL3314879 | 113197 | 0 | None | - | 0 | Human | 5.3 | pKi | = | 5.3 | Functional | ChEMBL | 376 | 5 | 2 | 7 | 1.9 | CNC(=O)c1cnc(NC(=O)Cc2ccccc2)n2nc(-c3ccco3)nc12 | 10.1021/jm500752h | ||
| 21958762 | 155756 | 0 | None | - | 0 | Human | 7.3 | pKi | = | 7.3 | Functional | ChEMBL | 288 | 4 | 2 | 6 | 0.7 | CCCn1c(=O)c2[nH]c(-c3cn[nH]c3)nc2n(CC)c1=O | 10.1016/j.ejmech.2010.04.039 | ||
| CHEMBL405901 | 155756 | 0 | None | - | 0 | Human | 7.3 | pKi | = | 7.3 | Functional | ChEMBL | 288 | 4 | 2 | 6 | 0.7 | CCCn1c(=O)c2[nH]c(-c3cn[nH]c3)nc2n(CC)c1=O | 10.1016/j.ejmech.2010.04.039 | ||
| 10021483 | 186859 | 0 | None | - | 0 | Human | 5.3 | pKi | = | 5.3 | Functional | ChEMBL | 361 | 4 | 4 | 9 | 0.0 | OC[C@H]1O[C@@H](n2cnc3c(NC4CC5CCC4C5)ncnc32)[C@H](O)[C@@H]1O | 10.1021/jm801456g | ||
| CHEMBL489640 | 186859 | 0 | None | - | 0 | Human | 5.3 | pKi | = | 5.3 | Functional | ChEMBL | 361 | 4 | 4 | 9 | 0.0 | OC[C@H]1O[C@@H](n2cnc3c(NC4CC5CCC4C5)ncnc32)[C@H](O)[C@@H]1O | 10.1021/jm801456g | ||
| 50925499 | 19204 | 0 | None | - | 0 | Human | 8.3 | pKi | = | 8.3 | Functional | ChEMBL | 523 | 9 | 2 | 5 | 5.9 | CC(C)(NC(=O)COc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccccc3)c2c1)c1ccccc1 | 10.1016/j.bmcl.2010.10.030 | ||
| CHEMBL1290101 | 19204 | 0 | None | - | 0 | Human | 8.3 | pKi | = | 8.3 | Functional | ChEMBL | 523 | 9 | 2 | 5 | 5.9 | CC(C)(NC(=O)COc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccccc3)c2c1)c1ccccc1 | 10.1016/j.bmcl.2010.10.030 | ||
| 10648228 | 98407 | 0 | None | - | 0 | Human | 8.3 | pKi | = | 8.3 | Functional | ChEMBL | 475 | 9 | 1 | 7 | 3.4 | CCCn1c(=O)c2nc(-c3ccc(OCC(=O)N(C)c4ccccc4)cc3)[nH]c2n(CCC)c1=O | 10.1021/jm990421v | ||
| CHEMBL275606 | 98407 | 0 | None | - | 0 | Human | 8.3 | pKi | = | 8.3 | Functional | ChEMBL | 475 | 9 | 1 | 7 | 3.4 | CCCn1c(=O)c2nc(-c3ccc(OCC(=O)N(C)c4ccccc4)cc3)[nH]c2n(CCC)c1=O | 10.1021/jm990421v | ||
| 135484064 | 2598 | 4 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Functional | ChEMBL | 509 | 9 | 2 | 11 | 1.9 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1cc(nn1C)OCC(=O)Nc1ccc2c(c1)OCO2 | 10.1021/jm049418o | ||
| 390 | 2598 | 4 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Functional | ChEMBL | 509 | 9 | 2 | 11 | 1.9 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1cc(nn1C)OCC(=O)Nc1ccc2c(c1)OCO2 | 10.1021/jm049418o | ||
| CHEMBL260331 | 2598 | 4 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Functional | ChEMBL | 509 | 9 | 2 | 11 | 1.9 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1cc(nn1C)OCC(=O)Nc1ccc2c(c1)OCO2 | 10.1021/jm049418o | ||
| 135484064 | 2598 | 4 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Functional | ChEMBL | 509 | 9 | 2 | 11 | 1.9 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1cc(nn1C)OCC(=O)Nc1ccc2c(c1)OCO2 | 10.1016/j.ejmech.2010.04.039 | ||
| 390 | 2598 | 4 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Functional | ChEMBL | 509 | 9 | 2 | 11 | 1.9 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1cc(nn1C)OCC(=O)Nc1ccc2c(c1)OCO2 | 10.1016/j.ejmech.2010.04.039 | ||
| CHEMBL260331 | 2598 | 4 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Functional | ChEMBL | 509 | 9 | 2 | 11 | 1.9 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1cc(nn1C)OCC(=O)Nc1ccc2c(c1)OCO2 | 10.1016/j.ejmech.2010.04.039 | ||
| 52942359 | 19162 | 0 | None | - | 0 | Human | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 517 | 9 | 2 | 4 | 5.8 | CC(C)(NC(=O)COc1ccc2[nH]c(=O)c(-c3ccccn3)c(CCc3ccccc3)c2c1)c1ccccc1 | 10.1016/j.bmcl.2010.10.030 | ||
| CHEMBL1289778 | 19162 | 0 | None | - | 0 | Human | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 517 | 9 | 2 | 4 | 5.8 | CC(C)(NC(=O)COc1ccc2[nH]c(=O)c(-c3ccccn3)c(CCc3ccccc3)c2c1)c1ccccc1 | 10.1016/j.bmcl.2010.10.030 | ||
| 76313600 | 103676 | 0 | None | - | 0 | Human | 5.3 | pKi | = | 5.3 | Functional | ChEMBL | 439 | 7 | 1 | 7 | 4.4 | Cn1c(-c2ccco2)nc2c(NC(=O)Cc3ccc(OCc4ccccc4)cc3)ncnc21 | 10.1016/j.ejmech.2013.10.006 | ||
| CHEMBL3087711 | 103676 | 0 | None | - | 0 | Human | 5.3 | pKi | = | 5.3 | Functional | ChEMBL | 439 | 7 | 1 | 7 | 4.4 | Cn1c(-c2ccco2)nc2c(NC(=O)Cc3ccc(OCc4ccccc4)cc3)ncnc21 | 10.1016/j.ejmech.2013.10.006 | ||
| 44572471 | 180583 | 2 | None | - | 0 | Human | 5.3 | pKi | = | 5.3 | Functional | ChEMBL | 271 | 3 | 2 | 6 | 0.6 | Nc1ncnc2c1nc(Br)n2CCCO | 10.1016/j.bmc.2009.02.030 | ||
| 44572471 | 180583 | 2 | None | - | 0 | Human | 5.3 | pKi | = | 5.3 | Functional | ChEMBL | 271 | 3 | 2 | 6 | 0.6 | Nc1ncnc2c1nc(Br)n2CCCO | 10.1016/j.ejmech.2013.10.006 | ||
| CHEMBL475455 | 180583 | 2 | None | - | 0 | Human | 5.3 | pKi | = | 5.3 | Functional | ChEMBL | 271 | 3 | 2 | 6 | 0.6 | Nc1ncnc2c1nc(Br)n2CCCO | 10.1016/j.bmc.2009.02.030 | ||
| CHEMBL475455 | 180583 | 2 | None | - | 0 | Human | 5.3 | pKi | = | 5.3 | Functional | ChEMBL | 271 | 3 | 2 | 6 | 0.6 | Nc1ncnc2c1nc(Br)n2CCCO | 10.1016/j.ejmech.2013.10.006 | ||
| 52942501 | 19240 | 0 | None | - | 0 | Human | 5.3 | pKi | = | 5.3 | Functional | ChEMBL | 515 | 8 | 2 | 5 | 5.6 | CC(C)(NC(=O)COc1ccc2[nH]c(=O)c(-c3nccs3)c(CCC(F)(F)F)c2c1)c1ccccc1 | 10.1016/j.bmcl.2010.10.030 | ||
| CHEMBL1290324 | 19240 | 0 | None | - | 0 | Human | 5.3 | pKi | = | 5.3 | Functional | ChEMBL | 515 | 8 | 2 | 5 | 5.6 | CC(C)(NC(=O)COc1ccc2[nH]c(=O)c(-c3nccs3)c(CCC(F)(F)F)c2c1)c1ccccc1 | 10.1016/j.bmcl.2010.10.030 | ||
| 71455620 | 82904 | 0 | None | - | 0 | Human | 5.3 | pKi | = | 5.3 | Functional | ChEMBL | 387 | 6 | 1 | 8 | 3.7 | CC(CCc1ccccc1)Nc1nc2nn(C)cc2c2nc(-c3ccco3)nn12 | 10.1021/jm300899q | ||
| CHEMBL2181140 | 82904 | 0 | None | - | 0 | Human | 5.3 | pKi | = | 5.3 | Functional | ChEMBL | 387 | 6 | 1 | 8 | 3.7 | CC(CCc1ccccc1)Nc1nc2nn(C)cc2c2nc(-c3ccco3)nn12 | 10.1021/jm300899q | ||
| 71452056 | 82893 | 0 | None | - | 0 | Human | 5.3 | pKi | = | 5.3 | Functional | ChEMBL | 359 | 4 | 1 | 8 | 3.4 | C[C@H](Nc1nc2nn(C)cc2c2nc(-c3ccco3)nn12)c1ccccc1 | 10.1039/d0md00380h | ||
| CHEMBL2180931 | 82893 | 0 | None | - | 0 | Human | 5.3 | pKi | = | 5.3 | Functional | ChEMBL | 359 | 4 | 1 | 8 | 3.4 | C[C@H](Nc1nc2nn(C)cc2c2nc(-c3ccco3)nn12)c1ccccc1 | 10.1039/d0md00380h | ||
| 71452056 | 82893 | 0 | None | - | 0 | Human | 5.3 | pKi | = | 5.3 | Functional | ChEMBL | 359 | 4 | 1 | 8 | 3.4 | C[C@H](Nc1nc2nn(C)cc2c2nc(-c3ccco3)nn12)c1ccccc1 | 10.1021/jm300899q | ||
| CHEMBL2180931 | 82893 | 0 | None | - | 0 | Human | 5.3 | pKi | = | 5.3 | Functional | ChEMBL | 359 | 4 | 1 | 8 | 3.4 | C[C@H](Nc1nc2nn(C)cc2c2nc(-c3ccco3)nn12)c1ccccc1 | 10.1021/jm300899q | ||
| 11602451 | 162229 | 0 | None | - | 0 | Human | 5.3 | pKi | = | 5.3 | Functional | ChEMBL | 335 | 5 | 1 | 5 | 4.6 | CCCn1c(-c2ccccc2)nc2c(NC3CCCCC3)ncnc21 | 10.1016/j.ejmech.2018.03.067 | ||
| CHEMBL4163601 | 162229 | 0 | None | - | 0 | Human | 5.3 | pKi | = | 5.3 | Functional | ChEMBL | 335 | 5 | 1 | 5 | 4.6 | CCCn1c(-c2ccccc2)nc2c(NC3CCCCC3)ncnc21 | 10.1016/j.ejmech.2018.03.067 | ||
| 118707844 | 113076 | 0 | None | - | 0 | Human | 5.3 | pKi | = | 5.3 | Functional | ChEMBL | 348 | 5 | 2 | 7 | 1.9 | Nc1ncc(C(=O)NCCc2ccccc2)c2nc(-c3ccco3)nn12 | 10.1021/jm500752h | ||
| CHEMBL3313941 | 113076 | 0 | None | - | 0 | Human | 5.3 | pKi | = | 5.3 | Functional | ChEMBL | 348 | 5 | 2 | 7 | 1.9 | Nc1ncc(C(=O)NCCc2ccccc2)c2nc(-c3ccco3)nn12 | 10.1021/jm500752h | ||
| 136414902 | 159690 | 0 | None | - | 0 | Human | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 560 | 9 | 1 | 9 | 3.8 | CCCn1c(=O)c2[nH]c(-c3cc(OCC4CC(=O)N(c5ccc(C(F)(F)F)cc5)C4)no3)nc2n(CCC)c1=O | 10.1016/j.ejmech.2016.11.007 | ||
| CHEMBL4104450 | 159690 | 0 | None | - | 0 | Human | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 560 | 9 | 1 | 9 | 3.8 | CCCn1c(=O)c2[nH]c(-c3cc(OCC4CC(=O)N(c5ccc(C(F)(F)F)cc5)C4)no3)nc2n(CCC)c1=O | 10.1016/j.ejmech.2016.11.007 | ||
| 1329 | 1460 | 86 | None | -9 | 8 | Human | 7.3 | pKi | = | 7.3 | Functional | ChEMBL | 304 | 5 | 1 | 5 | 2.4 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C1CCCC1 | 10.1016/j.ejmech.2010.04.039 | ||
| 386 | 1460 | 86 | None | -9 | 8 | Human | 7.3 | pKi | = | 7.3 | Functional | ChEMBL | 304 | 5 | 1 | 5 | 2.4 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C1CCCC1 | 10.1016/j.ejmech.2010.04.039 | ||
| CHEMBL183 | 1460 | 86 | None | -9 | 8 | Human | 7.3 | pKi | = | 7.3 | Functional | ChEMBL | 304 | 5 | 1 | 5 | 2.4 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C1CCCC1 | 10.1016/j.ejmech.2010.04.039 | ||
| DB12946 | 1460 | 86 | None | -9 | 8 | Human | 7.3 | pKi | = | 7.3 | Functional | ChEMBL | 304 | 5 | 1 | 5 | 2.4 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C1CCCC1 | 10.1016/j.ejmech.2010.04.039 | ||
| 52933926 | 156158 | 0 | None | - | 0 | Human | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 353 | 5 | 1 | 6 | 3.7 | CCCn1c(Oc2cccnc2C)nc2nc(C3CCCC3)[nH]c2c1=O | 10.1016/j.bmc.2017.02.029 | ||
| CHEMBL4063997 | 156158 | 0 | None | - | 0 | Human | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 353 | 5 | 1 | 6 | 3.7 | CCCn1c(Oc2cccnc2C)nc2nc(C3CCCC3)[nH]c2c1=O | 10.1016/j.bmc.2017.02.029 | ||
| 11608719 | 188718 | 24 | None | - | 0 | Human | 5.3 | pKi | = | 5.3 | Functional | ChEMBL | 269 | 3 | 1 | 5 | 2.0 | CCCCn1c(Br)nc2c(N)ncnc21 | 10.1016/j.bmc.2009.02.030 | ||
| CHEMBL505089 | 188718 | 24 | None | - | 0 | Human | 5.3 | pKi | = | 5.3 | Functional | ChEMBL | 269 | 3 | 1 | 5 | 2.0 | CCCCn1c(Br)nc2c(N)ncnc21 | 10.1016/j.bmc.2009.02.030 | ||
| 11623708 | 162479 | 0 | None | - | 0 | Human | 5.2 | pKi | = | 5.2 | Functional | ChEMBL | 307 | 4 | 1 | 5 | 3.9 | CCn1c(-c2ccccc2)nc2c(NC3CCCC3)ncnc21 | 10.1016/j.ejmech.2018.03.067 | ||
| CHEMBL4167491 | 162479 | 0 | None | - | 0 | Human | 5.2 | pKi | = | 5.2 | Functional | ChEMBL | 307 | 4 | 1 | 5 | 3.9 | CCn1c(-c2ccccc2)nc2c(NC3CCCC3)ncnc21 | 10.1016/j.ejmech.2018.03.067 | ||
| 11774068 | 94535 | 0 | None | - | 0 | Human | 8.2 | pKi | = | 8.2 | Functional | ChEMBL | 404 | 4 | 2 | 6 | 2.4 | CCn1c(=O)[nH]c2nc(-c3cnn(Cc4cccc(C(F)(F)F)c4)c3)[nH]c2c1=O | 10.1016/j.ejmech.2010.04.039 | ||
| CHEMBL251876 | 94535 | 0 | None | - | 0 | Human | 8.2 | pKi | = | 8.2 | Functional | ChEMBL | 404 | 4 | 2 | 6 | 2.4 | CCn1c(=O)[nH]c2nc(-c3cnn(Cc4cccc(C(F)(F)F)c4)c3)[nH]c2c1=O | 10.1016/j.ejmech.2010.04.039 | ||
| 10158974 | 155482 | 0 | None | - | 0 | Human | 8.2 | pKi | = | 8.2 | Functional | ChEMBL | 418 | 5 | 2 | 6 | 2.8 | CCCn1c(=O)[nH]c2nc(-c3cnn(Cc4cccc(C(F)(F)F)c4)c3)[nH]c2c1=O | 10.1016/j.ejmech.2017.05.035 | ||
| CHEMBL404168 | 155482 | 0 | None | - | 0 | Human | 8.2 | pKi | = | 8.2 | Functional | ChEMBL | 418 | 5 | 2 | 6 | 2.8 | CCCn1c(=O)[nH]c2nc(-c3cnn(Cc4cccc(C(F)(F)F)c4)c3)[nH]c2c1=O | 10.1016/j.ejmech.2017.05.035 | ||
| CHEMBL5076192 | 214396 | 0 | None | - | 0 | Human | 8.2 | pKi | = | 8.2 | Functional | ChEMBL | None | None | None | CCCCn1c(=O)c2nc(C34CCC(C(=O)NCCCCCCCCN=[N+]=[N-])(CC3)CC4)[nH]c2n(CCCNC(=O)c2ccc(S(=O)(=O)F)cc2)c1=O | 10.1021/acs.jmedchem.0c02169 | ||||
| 443 | 752 | 10 | None | - | 0 | Human | 7.2 | pKi | = | 7.2 | Functional | ChEMBL | 382 | 7 | 2 | 6 | 2.5 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)/C=C/C(=O)O | 10.1021/jm990421v | ||
| 6439089 | 752 | 10 | None | - | 0 | Human | 7.2 | pKi | = | 7.2 | Functional | ChEMBL | 382 | 7 | 2 | 6 | 2.5 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)/C=C/C(=O)O | 10.1021/jm990421v | ||
| CHEMBL16997 | 752 | 10 | None | - | 0 | Human | 7.2 | pKi | = | 7.2 | Functional | ChEMBL | 382 | 7 | 2 | 6 | 2.5 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)/C=C/C(=O)O | 10.1021/jm990421v | ||
| 52941244 | 19219 | 0 | None | - | 0 | Human | 7.2 | pKi | = | 7.2 | Functional | ChEMBL | 509 | 9 | 2 | 5 | 5.7 | C[C@@H](NC(=O)COc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccccc3)c2c1)c1ccccc1 | 10.1016/j.bmcl.2010.10.030 | ||
| CHEMBL1290209 | 19219 | 0 | None | - | 0 | Human | 7.2 | pKi | = | 7.2 | Functional | ChEMBL | 509 | 9 | 2 | 5 | 5.7 | C[C@@H](NC(=O)COc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccccc3)c2c1)c1ccccc1 | 10.1016/j.bmcl.2010.10.030 | ||
| 118732285 | 118339 | 0 | None | - | 0 | Human | 4.2 | pKi | = | 4.2 | Functional | ChEMBL | 311 | 5 | 1 | 7 | 1.8 | CCOC(=O)c1nc(N)nc2nn(CCc3ccccc3)cc12 | 10.1016/j.ejmech.2015.01.046 | ||
| CHEMBL3410301 | 118339 | 0 | None | - | 0 | Human | 4.2 | pKi | = | 4.2 | Functional | ChEMBL | 311 | 5 | 1 | 7 | 1.8 | CCOC(=O)c1nc(N)nc2nn(CCc3ccccc3)cc12 | 10.1016/j.ejmech.2015.01.046 | ||
| 11681092 | 162687 | 0 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Functional | ChEMBL | 307 | 3 | 1 | 5 | 3.7 | Cc1cccc(-c2nc3c(NC4CCCC4)ncnc3n2C)c1 | 10.1016/j.ejmech.2018.03.067 | ||
| CHEMBL4170850 | 162687 | 0 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Functional | ChEMBL | 307 | 3 | 1 | 5 | 3.7 | Cc1cccc(-c2nc3c(NC4CCCC4)ncnc3n2C)c1 | 10.1016/j.ejmech.2018.03.067 | ||
| 145991283 | 166822 | 0 | None | - | 0 | Human | 5.2 | pKi | = | 5.2 | Functional | ChEMBL | 364 | 6 | 2 | 9 | 3.0 | CCOC(=O)c1cnc(NNc2ccccc2)n2nc(-c3ccco3)nc12 | 10.1016/j.ejmech.2018.08.042 | ||
| CHEMBL4285374 | 166822 | 0 | None | - | 0 | Human | 5.2 | pKi | = | 5.2 | Functional | ChEMBL | 364 | 6 | 2 | 9 | 3.0 | CCOC(=O)c1cnc(NNc2ccccc2)n2nc(-c3ccco3)nc12 | 10.1016/j.ejmech.2018.08.042 | ||
| 52944930 | 19262 | 0 | None | - | 0 | Human | 7.2 | pKi | = | 7.2 | Functional | ChEMBL | 495 | 9 | 2 | 5 | 5.1 | O=C(COc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccccc3)c2c1)NCc1ccccc1 | 10.1016/j.bmcl.2010.10.030 | ||
| CHEMBL1290436 | 19262 | 0 | None | - | 0 | Human | 7.2 | pKi | = | 7.2 | Functional | ChEMBL | 495 | 9 | 2 | 5 | 5.1 | O=C(COc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccccc3)c2c1)NCc1ccccc1 | 10.1016/j.bmcl.2010.10.030 | ||
| 76324475 | 103678 | 0 | None | - | 0 | Human | 5.2 | pKi | = | 5.2 | Functional | ChEMBL | 334 | 3 | 2 | 6 | 3.3 | Cn1c(-c2ccco2)nc2c(NC(=O)Nc3ccccc3)ncnc21 | 10.1016/j.ejmech.2013.10.006 | ||
| CHEMBL3087713 | 103678 | 0 | None | - | 0 | Human | 5.2 | pKi | = | 5.2 | Functional | ChEMBL | 334 | 3 | 2 | 6 | 3.3 | Cn1c(-c2ccco2)nc2c(NC(=O)Nc3ccccc3)ncnc21 | 10.1016/j.ejmech.2013.10.006 | ||
| 18440528 | 136607 | 0 | None | - | 0 | Human | 5.2 | pKi | = | 5.2 | Functional | ChEMBL | 388 | 7 | 2 | 6 | 3.6 | CCCn1c(Br)nc2c(N)nc(NCCCc3ccccc3)nc21 | 10.1039/C5MD00034C | ||
| CHEMBL3739922 | 136607 | 0 | None | - | 0 | Human | 5.2 | pKi | = | 5.2 | Functional | ChEMBL | 388 | 7 | 2 | 6 | 3.6 | CCCn1c(Br)nc2c(N)nc(NCCCc3ccccc3)nc21 | 10.1039/C5MD00034C | ||
| 71453894 | 82926 | 0 | None | - | 0 | Human | 5.2 | pKi | = | 5.2 | Functional | ChEMBL | 337 | 3 | 1 | 8 | 3.0 | Cn1cc2c(nc(NC3CCCCC3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm300899q | ||
| CHEMBL2181161 | 82926 | 0 | None | - | 0 | Human | 5.2 | pKi | = | 5.2 | Functional | ChEMBL | 337 | 3 | 1 | 8 | 3.0 | Cn1cc2c(nc(NC3CCCCC3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm300899q | ||
| 52948671 | 19281 | 0 | None | - | 0 | Human | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 520 | 11 | 1 | 5 | 4.8 | COCCCNC(=O)COc1ccc2c(c1)c(CCc1ccccc1)c(-c1ccc(F)cc1F)c(=O)n2C | 10.1016/j.bmcl.2010.10.030 | ||
| CHEMBL1290544 | 19281 | 0 | None | - | 0 | Human | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 520 | 11 | 1 | 5 | 4.8 | COCCCNC(=O)COc1ccc2c(c1)c(CCc1ccccc1)c(-c1ccc(F)cc1F)c(=O)n2C | 10.1016/j.bmcl.2010.10.030 | ||
| 44572473 | 180739 | 2 | None | - | 0 | Human | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 271 | 2 | 2 | 6 | 0.6 | CC(O)Cn1c(Br)nc2c(N)ncnc21 | 10.1016/j.bmc.2009.02.030 | ||
| CHEMBL475617 | 180739 | 2 | None | - | 0 | Human | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 271 | 2 | 2 | 6 | 0.6 | CC(O)Cn1c(Br)nc2c(N)ncnc21 | 10.1016/j.bmc.2009.02.030 | ||
| 132941757 | 158875 | 0 | None | - | 0 | Human | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 460 | 7 | 1 | 7 | 4.4 | CCN(CC)C1CCC(C)(C(=O)Nc2nc3c(OC)ccc(N4CCOCC4)c3s2)CC1 | 10.1021/acs.jmedchem.6b01584 | ||
| CHEMBL4095355 | 158875 | 0 | None | - | 0 | Human | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 460 | 7 | 1 | 7 | 4.4 | CCN(CC)C1CCC(C)(C(=O)Nc2nc3c(OC)ccc(N4CCOCC4)c3s2)CC1 | 10.1021/acs.jmedchem.6b01584 | ||
| 137631671 | 156309 | 0 | None | - | 0 | Human | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 352 | 5 | 1 | 5 | 3.9 | CCCn1c(-c2cccc(OC)c2)nc2nc(C3CCCC3)[nH]c2c1=O | 10.1016/j.bmc.2017.02.029 | ||
| CHEMBL4065762 | 156309 | 0 | None | - | 0 | Human | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 352 | 5 | 1 | 5 | 3.9 | CCCn1c(-c2cccc(OC)c2)nc2nc(C3CCCC3)[nH]c2c1=O | 10.1016/j.bmc.2017.02.029 | ||
| 71450242 | 82927 | 0 | None | - | 0 | Human | 5.2 | pKi | = | 5.2 | Functional | ChEMBL | 351 | 3 | 1 | 8 | 3.4 | Cn1cc2c(nc(NC3CCCCCC3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm300899q | ||
| CHEMBL2181162 | 82927 | 0 | None | - | 0 | Human | 5.2 | pKi | = | 5.2 | Functional | ChEMBL | 351 | 3 | 1 | 8 | 3.4 | Cn1cc2c(nc(NC3CCCCCC3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm300899q | ||
| 52950000 | 19094 | 0 | None | - | 0 | Human | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 505 | 8 | 2 | 4 | 5.2 | N#Cc1c(CCc2ccccc2)c2cc(OCC(=O)NCc3ccc(Cl)c(Cl)c3)ccc2[nH]c1=O | 10.1016/j.bmcl.2010.10.030 | ||
| CHEMBL1289344 | 19094 | 0 | None | - | 0 | Human | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 505 | 8 | 2 | 4 | 5.2 | N#Cc1c(CCc2ccccc2)c2cc(OCC(=O)NCc3ccc(Cl)c(Cl)c3)ccc2[nH]c1=O | 10.1016/j.bmcl.2010.10.030 | ||
| 52949755 | 19206 | 0 | None | - | 0 | Human | 5.2 | pKi | = | 5.2 | Functional | ChEMBL | 468 | 6 | 2 | 5 | 3.2 | Cc1c(S(C)(=O)=O)c(=O)[nH]c2ccc(OCC(=O)NCc3ccc(Cl)c(Cl)c3)cc12 | 10.1016/j.bmcl.2010.10.030 | ||
| CHEMBL1290103 | 19206 | 0 | None | - | 0 | Human | 5.2 | pKi | = | 5.2 | Functional | ChEMBL | 468 | 6 | 2 | 5 | 3.2 | Cc1c(S(C)(=O)=O)c(=O)[nH]c2ccc(OCC(=O)NCc3ccc(Cl)c(Cl)c3)cc12 | 10.1016/j.bmcl.2010.10.030 | ||
| 52948949 | 19238 | 0 | None | - | 0 | Human | 7.2 | pKi | = | 7.2 | Functional | ChEMBL | 494 | 8 | 3 | 4 | 5.4 | O=C(NCc1ccccc1)NCc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccccc3)c2c1 | 10.1016/j.bmcl.2010.10.030 | ||
| CHEMBL1290322 | 19238 | 0 | None | - | 0 | Human | 7.2 | pKi | = | 7.2 | Functional | ChEMBL | 494 | 8 | 3 | 4 | 5.4 | O=C(NCc1ccccc1)NCc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccccc3)c2c1 | 10.1016/j.bmcl.2010.10.030 | ||
| 10226014 | 94562 | 0 | None | - | 0 | Human | 8.2 | pKi | = | 8.2 | Functional | ChEMBL | 452 | 6 | 2 | 9 | 2.4 | CCCn1c(=O)[nH]c2nc(-c3cnn(Cc4noc(-c5ccc(Cl)cc5)n4)c3)[nH]c2c1=O | 10.1016/j.ejmech.2010.04.039 | ||
| CHEMBL252048 | 94562 | 0 | None | - | 0 | Human | 8.2 | pKi | = | 8.2 | Functional | ChEMBL | 452 | 6 | 2 | 9 | 2.4 | CCCn1c(=O)[nH]c2nc(-c3cnn(Cc4noc(-c5ccc(Cl)cc5)n4)c3)[nH]c2c1=O | 10.1016/j.ejmech.2010.04.039 | ||
| 52950040 | 19128 | 0 | None | - | 0 | Human | 8.1 | pKi | = | 8.1 | Functional | ChEMBL | 523 | 10 | 2 | 5 | 6.1 | CC[C@H](NC(=O)COc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccccc3)c2c1)c1ccccc1 | 10.1016/j.bmcl.2010.10.030 | ||
| CHEMBL1289569 | 19128 | 0 | None | - | 0 | Human | 8.1 | pKi | = | 8.1 | Functional | ChEMBL | 523 | 10 | 2 | 5 | 6.1 | CC[C@H](NC(=O)COc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccccc3)c2c1)c1ccccc1 | 10.1016/j.bmcl.2010.10.030 | ||
| 404 | 4067 | 33 | None | 1318 | 2 | Human | 8.1 | pKi | = | 8.1 | Functional | ChEMBL | 428 | 10 | 3 | 8 | 0.8 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)NCCN | 10.1021/jm990421v | ||
| 432 | 4067 | 33 | None | 1318 | 2 | Human | 8.1 | pKi | = | 8.1 | Functional | ChEMBL | 428 | 10 | 3 | 8 | 0.8 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)NCCN | 10.1021/jm990421v | ||
| 5697 | 4067 | 33 | None | 1318 | 2 | Human | 8.1 | pKi | = | 8.1 | Functional | ChEMBL | 428 | 10 | 3 | 8 | 0.8 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)NCCN | 10.1021/jm990421v | ||
| CHEMBL273094 | 4067 | 33 | None | 1318 | 2 | Human | 8.1 | pKi | = | 8.1 | Functional | ChEMBL | 428 | 10 | 3 | 8 | 0.8 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)NCCN | 10.1021/jm990421v | ||
| 9827467 | 98359 | 0 | None | - | 0 | Human | 8.1 | pKi | = | 8.1 | Functional | ChEMBL | 504 | 10 | 3 | 8 | 2.5 | CCCn1c(=O)c2nc(-c3ccc(OCC(=O)Nc4ccc(C(N)=O)cc4)cc3)[nH]c2n(CCC)c1=O | 10.1021/jm990421v | ||
| CHEMBL275360 | 98359 | 0 | None | - | 0 | Human | 8.1 | pKi | = | 8.1 | Functional | ChEMBL | 504 | 10 | 3 | 8 | 2.5 | CCCn1c(=O)c2nc(-c3ccc(OCC(=O)Nc4ccc(C(N)=O)cc4)cc3)[nH]c2n(CCC)c1=O | 10.1021/jm990421v | ||
| 135921140 | 11311 | 0 | None | - | 0 | Mouse | 5.2 | pKi | = | 5.2 | Functional | ChEMBL | 267 | 1 | 1 | 4 | 1.7 | Cn1c(-c2ccccc2)nc2c1C1=NCCN1C(=O)N2 | 10.1021/jm011093d | ||
| CHEMBL117962 | 11311 | 0 | None | - | 0 | Mouse | 5.2 | pKi | = | 5.2 | Functional | ChEMBL | 267 | 1 | 1 | 4 | 1.7 | Cn1c(-c2ccccc2)nc2c1C1=NCCN1C(=O)N2 | 10.1021/jm011093d | ||
| 52946114 | 19241 | 0 | None | - | 0 | Human | 7.2 | pKi | = | 7.2 | Functional | ChEMBL | 525 | 9 | 2 | 6 | 5.7 | CC(C)(NC(=O)COc1ccc2[nH]c(=O)c(-c3nccs3)c(COc3ccccc3)c2c1)c1ccccc1 | 10.1016/j.bmcl.2010.10.030 | ||
| CHEMBL1290325 | 19241 | 0 | None | - | 0 | Human | 7.2 | pKi | = | 7.2 | Functional | ChEMBL | 525 | 9 | 2 | 6 | 5.7 | CC(C)(NC(=O)COc1ccc2[nH]c(=O)c(-c3nccs3)c(COc3ccccc3)c2c1)c1ccccc1 | 10.1016/j.bmcl.2010.10.030 | ||
| 69029783 | 156303 | 0 | None | - | 0 | Human | 7.2 | pKi | = | 7.2 | Functional | ChEMBL | 570 | 9 | 1 | 8 | 4.2 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC4CC(=O)N(c5ccc(C(F)(F)F)cc5)C4)nc3)nc2n(CCC)c1=O | 10.1016/j.ejmech.2016.11.007 | ||
| CHEMBL4065717 | 156303 | 0 | None | - | 0 | Human | 7.2 | pKi | = | 7.2 | Functional | ChEMBL | 570 | 9 | 1 | 8 | 4.2 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC4CC(=O)N(c5ccc(C(F)(F)F)cc5)C4)nc3)nc2n(CCC)c1=O | 10.1016/j.ejmech.2016.11.007 | ||
| 2773172 | 188753 | 12 | None | - | 0 | Human | 5.2 | pKi | = | 5.2 | Functional | ChEMBL | 287 | 3 | 3 | 7 | -0.5 | Nc1ncnc2c1nc(Br)n2CC(O)CO | 10.1016/j.bmc.2009.02.030 | ||
| CHEMBL505633 | 188753 | 12 | None | - | 0 | Human | 5.2 | pKi | = | 5.2 | Functional | ChEMBL | 287 | 3 | 3 | 7 | -0.5 | Nc1ncnc2c1nc(Br)n2CC(O)CO | 10.1016/j.bmc.2009.02.030 | ||
| 118707879 | 113230 | 0 | None | - | 0 | Human | 5.2 | pKi | = | 5.2 | Functional | ChEMBL | 329 | 6 | 1 | 8 | 2.6 | CCOC(=O)c1cnc(NCC(C)C)n2nc(-c3ccco3)nc12 | 10.1021/jm500752h | ||
| CHEMBL3314913 | 113230 | 0 | None | - | 0 | Human | 5.2 | pKi | = | 5.2 | Functional | ChEMBL | 329 | 6 | 1 | 8 | 2.6 | CCOC(=O)c1cnc(NCC(C)C)n2nc(-c3ccco3)nc12 | 10.1021/jm500752h | ||
| 822296 | 189089 | 18 | None | - | 0 | Human | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 227 | 0 | 1 | 5 | 0.7 | Cn1c(Br)nc2c(N)ncnc21 | 10.1016/j.bmc.2009.02.030 | ||
| 822296 | 189089 | 18 | None | - | 0 | Human | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 227 | 0 | 1 | 5 | 0.7 | Cn1c(Br)nc2c(N)ncnc21 | 10.1016/j.ejmech.2013.10.006 | ||
| CHEMBL510288 | 189089 | 18 | None | - | 0 | Human | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 227 | 0 | 1 | 5 | 0.7 | Cn1c(Br)nc2c(N)ncnc21 | 10.1016/j.bmc.2009.02.030 | ||
| CHEMBL510288 | 189089 | 18 | None | - | 0 | Human | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 227 | 0 | 1 | 5 | 0.7 | Cn1c(Br)nc2c(N)ncnc21 | 10.1016/j.ejmech.2013.10.006 | ||
| 71457403 | 82906 | 0 | None | - | 0 | Human | 5.1 | pKi | = | 5.1 | Functional | ChEMBL | 299 | 4 | 2 | 9 | 0.7 | Cn1cc2c(nc(NCCO)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm300899q | ||
| CHEMBL2181142 | 82906 | 0 | None | - | 0 | Human | 5.1 | pKi | = | 5.1 | Functional | ChEMBL | 299 | 4 | 2 | 9 | 0.7 | Cn1cc2c(nc(NCCO)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm300899q | ||
| 127040410 | 136745 | 0 | None | - | 0 | Human | 5.1 | pKi | = | 5.1 | Functional | ChEMBL | 345 | 5 | 1 | 5 | 3.6 | CCCn1c(Br)nc2c(NCc3ccccc3)ncnc21 | 10.1039/C5MD00034C | ||
| CHEMBL3741167 | 136745 | 0 | None | - | 0 | Human | 5.1 | pKi | = | 5.1 | Functional | ChEMBL | 345 | 5 | 1 | 5 | 3.6 | CCCn1c(Br)nc2c(NCc3ccccc3)ncnc21 | 10.1039/C5MD00034C | ||
| 71455601 | 82880 | 0 | None | - | 0 | Human | 5.1 | pKi | = | 5.1 | Functional | ChEMBL | 375 | 6 | 1 | 9 | 2.8 | Cn1cc2c(nc(NCCOc3ccccc3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm300899q | ||
| CHEMBL2180918 | 82880 | 0 | None | - | 0 | Human | 5.1 | pKi | = | 5.1 | Functional | ChEMBL | 375 | 6 | 1 | 9 | 2.8 | Cn1cc2c(nc(NCCOc3ccccc3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm300899q | ||
| 71452072 | 82919 | 0 | None | - | 0 | Human | 5.1 | pKi | = | 5.1 | Functional | ChEMBL | 353 | 7 | 1 | 8 | 3.7 | CCCCCC(C)Nc1nc2nn(C)cc2c2nc(-c3ccco3)nn12 | 10.1021/jm300899q | ||
| CHEMBL2181154 | 82919 | 0 | None | - | 0 | Human | 5.1 | pKi | = | 5.1 | Functional | ChEMBL | 353 | 7 | 1 | 8 | 3.7 | CCCCCC(C)Nc1nc2nn(C)cc2c2nc(-c3ccco3)nn12 | 10.1021/jm300899q | ||
| 11565780 | 162256 | 0 | None | - | 0 | Human | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 307 | 5 | 1 | 5 | 3.9 | CCCn1c(-c2ccccc2)nc2c(NC3CCC3)ncnc21 | 10.1016/j.ejmech.2018.03.067 | ||
| CHEMBL4164048 | 162256 | 0 | None | - | 0 | Human | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 307 | 5 | 1 | 5 | 3.9 | CCCn1c(-c2ccccc2)nc2c(NC3CCC3)ncnc21 | 10.1016/j.ejmech.2018.03.067 | ||
| 308531 | 165697 | 10 | None | - | 0 | Human | 5.1 | pKi | = | 5.1 | Functional | ChEMBL | 225 | 1 | 1 | 5 | 1.6 | Cn1c(-c2ccccc2)nc2c(N)ncnc21 | 10.1016/j.ejmech.2018.03.067 | ||
| CHEMBL424597 | 165697 | 10 | None | - | 0 | Human | 5.1 | pKi | = | 5.1 | Functional | ChEMBL | 225 | 1 | 1 | 5 | 1.6 | Cn1c(-c2ccccc2)nc2c(N)ncnc21 | 10.1016/j.ejmech.2018.03.067 | ||
| 76324476 | 103681 | 0 | None | - | 0 | Human | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 215 | 1 | 1 | 6 | 1.2 | Cn1c(-c2ccco2)nc2c(N)ncnc21 | 10.1016/j.ejmech.2013.10.006 | ||
| CHEMBL3087716 | 103681 | 0 | None | - | 0 | Human | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 215 | 1 | 1 | 6 | 1.2 | Cn1c(-c2ccco2)nc2c(N)ncnc21 | 10.1016/j.ejmech.2013.10.006 | ||
| CHEMBL5073669 | 214278 | 0 | None | - | 0 | Human | 7.1 | pKi | = | 7.1 | Functional | ChEMBL | None | None | None | CCCCn1c(=O)c2nc(C34CCC(C(=O)NCCCN=[N+]=[N-])(CC3)CC4)[nH]c2n(CCCNC(=O)c2ccc(S(=O)(=O)F)cc2)c1=O | 10.1021/acs.jmedchem.0c02169 | ||||
| 76309882 | 103675 | 0 | None | - | 0 | Human | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 409 | 5 | 1 | 6 | 4.4 | Cn1c(-c2ccco2)nc2c(NC(=O)C(c3ccccc3)c3ccccc3)ncnc21 | 10.1016/j.ejmech.2013.10.006 | ||
| CHEMBL3087710 | 103675 | 0 | None | - | 0 | Human | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 409 | 5 | 1 | 6 | 4.4 | Cn1c(-c2ccco2)nc2c(NC(=O)C(c3ccccc3)c3ccccc3)ncnc21 | 10.1016/j.ejmech.2013.10.006 | ||
| 44236568 | 156446 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Functional | ChEMBL | 486 | 6 | 1 | 8 | 3.1 | CCCn1c(=O)c2[nH]c(-c3cnn(CC#Cc4cccc(OC(F)(F)F)c4)c3)nc2n(CC)c1=O | 10.1016/j.ejmech.2017.04.014 | ||
| CHEMBL4067401 | 156446 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Functional | ChEMBL | 486 | 6 | 1 | 8 | 3.1 | CCCn1c(=O)c2[nH]c(-c3cnn(CC#Cc4cccc(OC(F)(F)F)c4)c3)nc2n(CC)c1=O | 10.1016/j.ejmech.2017.04.014 | ||
| 69031481 | 157053 | 0 | None | - | 0 | Human | 8.1 | pKi | = | 8.1 | Functional | ChEMBL | 529 | 7 | 1 | 8 | 3.3 | CCCn1c(=O)c2[nH]c(-c3cnn(CC4CC(=O)N(c5ccc(C(F)(F)F)cc5)C4)c3)nc2n(CC)c1=O | 10.1016/j.ejmech.2021.113907 | ||
| CHEMBL4074253 | 157053 | 0 | None | - | 0 | Human | 8.1 | pKi | = | 8.1 | Functional | ChEMBL | 529 | 7 | 1 | 8 | 3.3 | CCCn1c(=O)c2[nH]c(-c3cnn(CC4CC(=O)N(c5ccc(C(F)(F)F)cc5)C4)c3)nc2n(CC)c1=O | 10.1016/j.ejmech.2021.113907 | ||
| 57429602 | 157215 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Functional | ChEMBL | 500 | 7 | 1 | 8 | 3.5 | CCCn1c(=O)c2[nH]c(-c3cnn(CC#Cc4cccc(OC(F)(F)F)c4)c3)nc2n(CCC)c1=O | 10.1016/j.ejmech.2021.113907 | ||
| CHEMBL4076435 | 157215 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Functional | ChEMBL | 500 | 7 | 1 | 8 | 3.5 | CCCn1c(=O)c2[nH]c(-c3cnn(CC#Cc4cccc(OC(F)(F)F)c4)c3)nc2n(CCC)c1=O | 10.1016/j.ejmech.2021.113907 | ||
| 69031481 | 157053 | 0 | None | - | 0 | Human | 8.1 | pKi | = | 8.1 | Functional | ChEMBL | 529 | 7 | 1 | 8 | 3.3 | CCCn1c(=O)c2[nH]c(-c3cnn(CC4CC(=O)N(c5ccc(C(F)(F)F)cc5)C4)c3)nc2n(CC)c1=O | 10.1016/j.ejmech.2016.11.007 | ||
| CHEMBL4074253 | 157053 | 0 | None | - | 0 | Human | 8.1 | pKi | = | 8.1 | Functional | ChEMBL | 529 | 7 | 1 | 8 | 3.3 | CCCn1c(=O)c2[nH]c(-c3cnn(CC4CC(=O)N(c5ccc(C(F)(F)F)cc5)C4)c3)nc2n(CC)c1=O | 10.1016/j.ejmech.2016.11.007 | ||
| 57429602 | 157215 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Functional | ChEMBL | 500 | 7 | 1 | 8 | 3.5 | CCCn1c(=O)c2[nH]c(-c3cnn(CC#Cc4cccc(OC(F)(F)F)c4)c3)nc2n(CCC)c1=O | 10.1016/j.ejmech.2017.04.014 | ||
| CHEMBL4076435 | 157215 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Functional | ChEMBL | 500 | 7 | 1 | 8 | 3.5 | CCCn1c(=O)c2[nH]c(-c3cnn(CC#Cc4cccc(OC(F)(F)F)c4)c3)nc2n(CCC)c1=O | 10.1016/j.ejmech.2017.04.014 | ||
| 72197883 | 90772 | 0 | None | - | 0 | Human | 5.1 | pKi | = | 5.1 | Functional | ChEMBL | 407 | 5 | 2 | 9 | 3.2 | CN(C)c1nc(N)nc(-c2sc(NC(=O)c3ccco3)nc2-c2ccccc2)n1 | 10.1016/j.ejmech.2013.03.020 | ||
| CHEMBL2391837 | 90772 | 0 | None | - | 0 | Human | 5.1 | pKi | = | 5.1 | Functional | ChEMBL | 407 | 5 | 2 | 9 | 3.2 | CN(C)c1nc(N)nc(-c2sc(NC(=O)c3ccco3)nc2-c2ccccc2)n1 | 10.1016/j.ejmech.2013.03.020 | ||
| 52946114 | 19241 | 0 | None | - | 0 | Human | 7.1 | pKi | = | 7.1 | Functional | ChEMBL | 525 | 9 | 2 | 6 | 5.7 | CC(C)(NC(=O)COc1ccc2[nH]c(=O)c(-c3nccs3)c(COc3ccccc3)c2c1)c1ccccc1 | 10.1016/j.bmcl.2010.10.030 | ||
| CHEMBL1290325 | 19241 | 0 | None | - | 0 | Human | 7.1 | pKi | = | 7.1 | Functional | ChEMBL | 525 | 9 | 2 | 6 | 5.7 | CC(C)(NC(=O)COc1ccc2[nH]c(=O)c(-c3nccs3)c(COc3ccccc3)c2c1)c1ccccc1 | 10.1016/j.bmcl.2010.10.030 | ||
| 439176 | 98593 | 71 | None | - | 2 | Human | 5.1 | pKi | = | 5.1 | Functional | ChEMBL | 297 | 3 | 3 | 9 | -0.6 | CSC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O | 10.1021/jm031092g | ||
| CHEMBL277041 | 98593 | 71 | None | - | 2 | Human | 5.1 | pKi | = | 5.1 | Functional | ChEMBL | 297 | 3 | 3 | 9 | -0.6 | CSC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O | 10.1021/jm031092g | ||
| 127040064 | 136726 | 0 | None | - | 0 | Human | 5.1 | pKi | = | 5.1 | Functional | ChEMBL | 376 | 8 | 2 | 7 | 4.1 | CCCn1c(-c2ccco2)nc2c(N)nc(NCCCc3ccccc3)nc21 | 10.1039/C5MD00034C | ||
| CHEMBL3740992 | 136726 | 0 | None | - | 0 | Human | 5.1 | pKi | = | 5.1 | Functional | ChEMBL | 376 | 8 | 2 | 7 | 4.1 | CCCn1c(-c2ccco2)nc2c(N)nc(NCCCc3ccccc3)nc21 | 10.1039/C5MD00034C | ||
| 44447519 | 94857 | 0 | None | - | 0 | Human | 5.1 | pKi | = | 5.1 | Functional | ChEMBL | 440 | 5 | 4 | 10 | 1.2 | CNC(=O)OC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)nc(Cl)nc32)[C@](C)(O)[C@@H]1O | 10.1016/j.bmc.2007.09.035 | ||
| CHEMBL254064 | 94857 | 0 | None | - | 0 | Human | 5.1 | pKi | = | 5.1 | Functional | ChEMBL | 440 | 5 | 4 | 10 | 1.2 | CNC(=O)OC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)nc(Cl)nc32)[C@](C)(O)[C@@H]1O | 10.1016/j.bmc.2007.09.035 | ||
| 25188209 | 178735 | 0 | None | - | 0 | Human | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 311 | 3 | 1 | 8 | 1.6 | Nc1nc(-c2ncco2)c2nnn(Cc3ccccc3F)c2n1 | 10.1016/j.ejmech.2010.04.039 | ||
| CHEMBL468701 | 178735 | 0 | None | - | 0 | Human | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 311 | 3 | 1 | 8 | 1.6 | Nc1nc(-c2ncco2)c2nnn(Cc3ccccc3F)c2n1 | 10.1016/j.ejmech.2010.04.039 | ||
| 5248753 | 178729 | 6 | None | - | 0 | Human | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 241 | 1 | 1 | 5 | 1.2 | CCn1c(Br)nc2c(N)ncnc21 | 10.1016/j.bmc.2009.02.030 | ||
| 5248753 | 178729 | 6 | None | - | 0 | Human | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 241 | 1 | 1 | 5 | 1.2 | CCn1c(Br)nc2c(N)ncnc21 | 10.1016/j.ejmech.2013.10.006 | ||
| CHEMBL468633 | 178729 | 6 | None | - | 0 | Human | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 241 | 1 | 1 | 5 | 1.2 | CCn1c(Br)nc2c(N)ncnc21 | 10.1016/j.bmc.2009.02.030 | ||
| CHEMBL468633 | 178729 | 6 | None | - | 0 | Human | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 241 | 1 | 1 | 5 | 1.2 | CCn1c(Br)nc2c(N)ncnc21 | 10.1016/j.ejmech.2013.10.006 | ||
| 72197703 | 90768 | 0 | None | - | 0 | Human | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 347 | 4 | 1 | 5 | 4.7 | O=C(Nc1nc(-c2ccccc2)c(-c2ccccn2)s1)c1ccco1 | 10.1016/j.ejmech.2013.03.020 | ||
| CHEMBL2391833 | 90768 | 0 | None | - | 0 | Human | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 347 | 4 | 1 | 5 | 4.7 | O=C(Nc1nc(-c2ccccc2)c(-c2ccccn2)s1)c1ccco1 | 10.1016/j.ejmech.2013.03.020 | ||
| 71457389 | 82878 | 0 | None | - | 0 | Human | 5.1 | pKi | = | 5.1 | Functional | ChEMBL | 285 | 3 | 1 | 9 | 1.2 | CONc1nc2nn(C)cc2c2nc(-c3ccco3)nn12 | 10.1021/jm300899q | ||
| CHEMBL2180916 | 82878 | 0 | None | - | 0 | Human | 5.1 | pKi | = | 5.1 | Functional | ChEMBL | 285 | 3 | 1 | 9 | 1.2 | CONc1nc2nn(C)cc2c2nc(-c3ccco3)nn12 | 10.1021/jm300899q | ||
| 11587409 | 162972 | 0 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Functional | ChEMBL | 293 | 3 | 1 | 5 | 3.4 | Cn1c(-c2ccccc2)nc2c(NC3CCCC3)ncnc21 | 10.1016/j.ejmech.2018.03.067 | ||
| CHEMBL4175366 | 162972 | 0 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Functional | ChEMBL | 293 | 3 | 1 | 5 | 3.4 | Cn1c(-c2ccccc2)nc2c(NC3CCCC3)ncnc21 | 10.1016/j.ejmech.2018.03.067 | ||
| 12016633 | 172646 | 1 | None | - | 0 | Human | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 281 | 1 | 1 | 5 | 2.3 | Nc1ncnc2c1nc(Br)n2C1CCCC1 | 10.1016/j.bmc.2009.02.030 | ||
| CHEMBL449924 | 172646 | 1 | None | - | 0 | Human | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 281 | 1 | 1 | 5 | 2.3 | Nc1ncnc2c1nc(Br)n2C1CCCC1 | 10.1016/j.bmc.2009.02.030 | ||
| 9946338 | 154765 | 43 | None | - | 0 | Human | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 349 | 4 | 4 | 9 | 0.2 | C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NC3CCCC3)ncnc21 | 10.1016/j.bmc.2007.09.035 | ||
| CHEMBL400189 | 154765 | 43 | None | - | 0 | Human | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 349 | 4 | 4 | 9 | 0.2 | C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NC3CCCC3)ncnc21 | 10.1016/j.bmc.2007.09.035 | ||
| 52941201 | 19192 | 0 | None | - | 0 | Human | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 517 | 9 | 2 | 4 | 5.8 | CC(C)(NC(=O)COc1ccc2[nH]c(=O)c(-c3ccncc3)c(CCc3ccccc3)c2c1)c1ccccc1 | 10.1016/j.bmcl.2010.10.030 | ||
| CHEMBL1290002 | 19192 | 0 | None | - | 0 | Human | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 517 | 9 | 2 | 4 | 5.8 | CC(C)(NC(=O)COc1ccc2[nH]c(=O)c(-c3ccncc3)c(CCc3ccccc3)c2c1)c1ccccc1 | 10.1016/j.bmcl.2010.10.030 | ||
| 10267860 | 176799 | 0 | None | - | 0 | Human | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 317 | 3 | 1 | 8 | 2.0 | N#Cc1ccc(Cn2nnc3c(-c4ccco4)nc(N)nc32)cc1 | 10.1016/j.ejmech.2010.04.039 | ||
| CHEMBL461007 | 176799 | 0 | None | - | 0 | Human | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 317 | 3 | 1 | 8 | 2.0 | N#Cc1ccc(Cn2nnc3c(-c4ccco4)nc(N)nc32)cc1 | 10.1016/j.ejmech.2010.04.039 | ||
| 11198201 | 110650 | 7 | None | - | 0 | Human | 8.1 | pKi | = | 8.1 | Functional | ChEMBL | 327 | 5 | 2 | 6 | 2.0 | CCCn1c(=O)c2nc(-c3ccc(N)cc3)[nH]c2n(CCC)c1=O | 10.1021/jm049418o | ||
| CHEMBL32598 | 110650 | 7 | None | - | 0 | Human | 8.1 | pKi | = | 8.1 | Functional | ChEMBL | 327 | 5 | 2 | 6 | 2.0 | CCCn1c(=O)c2nc(-c3ccc(N)cc3)[nH]c2n(CCC)c1=O | 10.1021/jm049418o | ||
| 14484978 | 97564 | 0 | None | - | 0 | Human | 8.0 | pKi | = | 8.0 | Functional | ChEMBL | 483 | 9 | 1 | 10 | 1.4 | CCCn1c(=O)c2nc(-c3ccc(OCC(=O)ON4C(=O)CCC4=O)cc3)[nH]c2n(CCC)c1=O | 10.1021/jm990421v | ||
| CHEMBL27081 | 97564 | 0 | None | - | 0 | Human | 8.0 | pKi | = | 8.0 | Functional | ChEMBL | 483 | 9 | 1 | 10 | 1.4 | CCCn1c(=O)c2nc(-c3ccc(OCC(=O)ON4C(=O)CCC4=O)cc3)[nH]c2n(CCC)c1=O | 10.1021/jm990421v | ||
| 9850900 | 98323 | 0 | None | - | 0 | Human | 8.0 | pKi | = | 8.0 | Functional | ChEMBL | 565 | 12 | 1 | 7 | 5.0 | CCCn1c(=O)c2nc(-c3ccc(OCC(=O)N(Cc4ccccc4)Cc4ccccc4)cc3)[nH]c2n(CCC)c1=O | 10.1021/jm990421v | ||
| CHEMBL275149 | 98323 | 0 | None | - | 0 | Human | 8.0 | pKi | = | 8.0 | Functional | ChEMBL | 565 | 12 | 1 | 7 | 5.0 | CCCn1c(=O)c2nc(-c3ccc(OCC(=O)N(Cc4ccccc4)Cc4ccccc4)cc3)[nH]c2n(CCC)c1=O | 10.1021/jm990421v | ||
| 9850900 | 98323 | 0 | None | - | 0 | Human | 8.0 | pKi | = | 8.0 | Functional | ChEMBL | 565 | 12 | 1 | 7 | 5.0 | CCCn1c(=O)c2nc(-c3ccc(OCC(=O)N(Cc4ccccc4)Cc4ccccc4)cc3)[nH]c2n(CCC)c1=O | 10.1016/j.ejmech.2010.04.039 | ||
| CHEMBL275149 | 98323 | 0 | None | - | 0 | Human | 8.0 | pKi | = | 8.0 | Functional | ChEMBL | 565 | 12 | 1 | 7 | 5.0 | CCCn1c(=O)c2nc(-c3ccc(OCC(=O)N(Cc4ccccc4)Cc4ccccc4)cc3)[nH]c2n(CCC)c1=O | 10.1016/j.ejmech.2010.04.039 | ||
| 11508049 | 161958 | 0 | None | - | 0 | Human | 5.0 | pKi | = | 5.0 | Functional | ChEMBL | 321 | 4 | 1 | 5 | 4.3 | CCn1c(-c2ccccc2)nc2c(NC3CCCCC3)ncnc21 | 10.1016/j.ejmech.2018.03.067 | ||
| CHEMBL4159165 | 161958 | 0 | None | - | 0 | Human | 5.0 | pKi | = | 5.0 | Functional | ChEMBL | 321 | 4 | 1 | 5 | 4.3 | CCn1c(-c2ccccc2)nc2c(NC3CCCCC3)ncnc21 | 10.1016/j.ejmech.2018.03.067 | ||
| 2153 | 3771 | 115 | None | - | 5 | Human | 5.0 | pKi | = | 5.0 | Functional | ChEMBL | 180 | 0 | 1 | 5 | -1.0 | Cn1c(=O)n(C)c2c(c1=O)[nH]cn2 | 10.1021/jm049418o | ||
| 2620 | 3771 | 115 | None | - | 5 | Human | 5.0 | pKi | = | 5.0 | Functional | ChEMBL | 180 | 0 | 1 | 5 | -1.0 | Cn1c(=O)n(C)c2c(c1=O)[nH]cn2 | 10.1021/jm049418o | ||
| 413 | 3771 | 115 | None | - | 5 | Human | 5.0 | pKi | = | 5.0 | Functional | ChEMBL | 180 | 0 | 1 | 5 | -1.0 | Cn1c(=O)n(C)c2c(c1=O)[nH]cn2 | 10.1021/jm049418o | ||
| CHEMBL190 | 3771 | 115 | None | - | 5 | Human | 5.0 | pKi | = | 5.0 | Functional | ChEMBL | 180 | 0 | 1 | 5 | -1.0 | Cn1c(=O)n(C)c2c(c1=O)[nH]cn2 | 10.1021/jm049418o | ||
| DB00277 | 3771 | 115 | None | - | 5 | Human | 5.0 | pKi | = | 5.0 | Functional | ChEMBL | 180 | 0 | 1 | 5 | -1.0 | Cn1c(=O)n(C)c2c(c1=O)[nH]cn2 | 10.1021/jm049418o | ||
| 2153 | 3771 | 115 | None | - | 5 | Human | 5.0 | pKi | = | 5.0 | Functional | ChEMBL | 180 | 0 | 1 | 5 | -1.0 | Cn1c(=O)n(C)c2c(c1=O)[nH]cn2 | 10.1016/j.ejmech.2010.04.039 | ||
| 2620 | 3771 | 115 | None | - | 5 | Human | 5.0 | pKi | = | 5.0 | Functional | ChEMBL | 180 | 0 | 1 | 5 | -1.0 | Cn1c(=O)n(C)c2c(c1=O)[nH]cn2 | 10.1016/j.ejmech.2010.04.039 | ||
| 413 | 3771 | 115 | None | - | 5 | Human | 5.0 | pKi | = | 5.0 | Functional | ChEMBL | 180 | 0 | 1 | 5 | -1.0 | Cn1c(=O)n(C)c2c(c1=O)[nH]cn2 | 10.1016/j.ejmech.2010.04.039 | ||
| CHEMBL190 | 3771 | 115 | None | - | 5 | Human | 5.0 | pKi | = | 5.0 | Functional | ChEMBL | 180 | 0 | 1 | 5 | -1.0 | Cn1c(=O)n(C)c2c(c1=O)[nH]cn2 | 10.1016/j.ejmech.2010.04.039 | ||
| DB00277 | 3771 | 115 | None | - | 5 | Human | 5.0 | pKi | = | 5.0 | Functional | ChEMBL | 180 | 0 | 1 | 5 | -1.0 | Cn1c(=O)n(C)c2c(c1=O)[nH]cn2 | 10.1016/j.ejmech.2010.04.039 | ||
| 2153 | 3771 | 115 | None | - | 5 | Human | 5.0 | pKi | = | 5.0 | Functional | ChEMBL | 180 | 0 | 1 | 5 | -1.0 | Cn1c(=O)n(C)c2c(c1=O)[nH]cn2 | 10.1016/j.ejmech.2021.113907 | ||
| 2620 | 3771 | 115 | None | - | 5 | Human | 5.0 | pKi | = | 5.0 | Functional | ChEMBL | 180 | 0 | 1 | 5 | -1.0 | Cn1c(=O)n(C)c2c(c1=O)[nH]cn2 | 10.1016/j.ejmech.2021.113907 | ||
| 413 | 3771 | 115 | None | - | 5 | Human | 5.0 | pKi | = | 5.0 | Functional | ChEMBL | 180 | 0 | 1 | 5 | -1.0 | Cn1c(=O)n(C)c2c(c1=O)[nH]cn2 | 10.1016/j.ejmech.2021.113907 | ||
| CHEMBL190 | 3771 | 115 | None | - | 5 | Human | 5.0 | pKi | = | 5.0 | Functional | ChEMBL | 180 | 0 | 1 | 5 | -1.0 | Cn1c(=O)n(C)c2c(c1=O)[nH]cn2 | 10.1016/j.ejmech.2021.113907 | ||
| DB00277 | 3771 | 115 | None | - | 5 | Human | 5.0 | pKi | = | 5.0 | Functional | ChEMBL | 180 | 0 | 1 | 5 | -1.0 | Cn1c(=O)n(C)c2c(c1=O)[nH]cn2 | 10.1016/j.ejmech.2021.113907 | ||
| 11681354 | 162912 | 0 | None | - | 0 | Human | 5.0 | pKi | = | 5.0 | Functional | ChEMBL | 323 | 5 | 1 | 6 | 3.1 | CCCn1c(-c2ccccc2)nc2c(NC3CCOC3)ncnc21 | 10.1016/j.ejmech.2018.03.067 | ||
| CHEMBL4174308 | 162912 | 0 | None | - | 0 | Human | 5.0 | pKi | = | 5.0 | Functional | ChEMBL | 323 | 5 | 1 | 6 | 3.1 | CCCn1c(-c2ccccc2)nc2c(NC3CCOC3)ncnc21 | 10.1016/j.ejmech.2018.03.067 | ||
| 72197701 | 90766 | 0 | None | - | 0 | Human | 5.0 | pKi | = | 5.0 | Functional | ChEMBL | 375 | 5 | 1 | 6 | 4.3 | O=C(Nc1nc(-c2ccccc2)c(C(=O)c2ccccn2)s1)c1ccco1 | 10.1016/j.ejmech.2013.03.020 | ||
| CHEMBL2391831 | 90766 | 0 | None | - | 0 | Human | 5.0 | pKi | = | 5.0 | Functional | ChEMBL | 375 | 5 | 1 | 6 | 4.3 | O=C(Nc1nc(-c2ccccc2)c(C(=O)c2ccccn2)s1)c1ccco1 | 10.1016/j.ejmech.2013.03.020 | ||
| 18440431 | 136619 | 0 | None | - | 0 | Human | 5.0 | pKi | = | 5.0 | Functional | ChEMBL | 296 | 6 | 2 | 6 | 2.5 | CCCn1cnc2c(N)nc(NCCc3ccccc3)nc21 | 10.1039/C5MD00034C | ||
| CHEMBL3739985 | 136619 | 0 | None | - | 0 | Human | 5.0 | pKi | = | 5.0 | Functional | ChEMBL | 296 | 6 | 2 | 6 | 2.5 | CCCn1cnc2c(N)nc(NCCc3ccccc3)nc21 | 10.1039/C5MD00034C | ||
| 127042994 | 136763 | 0 | None | - | 0 | Human | 5.0 | pKi | = | 5.0 | Functional | ChEMBL | 347 | 7 | 1 | 6 | 4.2 | CCCn1c(-c2ccco2)nc2c(NCCc3ccccc3)ncnc21 | 10.1039/C5MD00034C | ||
| CHEMBL3741337 | 136763 | 0 | None | - | 0 | Human | 5.0 | pKi | = | 5.0 | Functional | ChEMBL | 347 | 7 | 1 | 6 | 4.2 | CCCn1c(-c2ccco2)nc2c(NCCc3ccccc3)ncnc21 | 10.1039/C5MD00034C | ||
| 71453891 | 82907 | 0 | None | - | 0 | Human | 5.0 | pKi | = | 5.0 | Functional | ChEMBL | 313 | 5 | 2 | 9 | 1.1 | Cn1cc2c(nc(NCCCO)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm300899q | ||
| CHEMBL2181143 | 82907 | 0 | None | - | 0 | Human | 5.0 | pKi | = | 5.0 | Functional | ChEMBL | 313 | 5 | 2 | 9 | 1.1 | Cn1cc2c(nc(NCCCO)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm300899q | ||
| CHEMBL5088372 | 215132 | 0 | None | - | 0 | Human | 7.0 | pKi | = | 7.0 | Functional | ChEMBL | None | None | None | CCCCn1c(=O)c2nc(C34CCC(C(=O)NCCOCCOCCOCCN=[N+]=[N-])(CC3)CC4)[nH]c2n(CCCNC(=O)c2ccc(S(=O)(=O)F)cc2)c1=O | 10.1021/acs.jmedchem.0c02169 | ||||
| 71462775 | 82929 | 0 | None | - | 0 | Human | 5.0 | pKi | = | 5.0 | Functional | ChEMBL | 351 | 4 | 1 | 8 | 3.3 | Cn1cc2c(nc(NCC3CCCCC3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm300899q | ||
| CHEMBL2181164 | 82929 | 0 | None | - | 0 | Human | 5.0 | pKi | = | 5.0 | Functional | ChEMBL | 351 | 4 | 1 | 8 | 3.3 | Cn1cc2c(nc(NCC3CCCCC3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm300899q | ||
| 71457404 | 82913 | 0 | None | - | 0 | Human | 5.0 | pKi | = | 5.0 | Functional | ChEMBL | 297 | 3 | 1 | 8 | 2.1 | CC(C)Nc1nc2nn(C)cc2c2nc(-c3ccco3)nn12 | 10.1021/jm300899q | ||
| CHEMBL2181149 | 82913 | 0 | None | - | 0 | Human | 5.0 | pKi | = | 5.0 | Functional | ChEMBL | 297 | 3 | 1 | 8 | 2.1 | CC(C)Nc1nc2nn(C)cc2c2nc(-c3ccco3)nn12 | 10.1021/jm300899q | ||
| 71455604 | 82896 | 0 | None | - | 0 | Human | 5.0 | pKi | = | 5.0 | Functional | ChEMBL | 375 | 5 | 1 | 9 | 2.9 | COc1ccc(CNc2nc3nn(C)cc3c3nc(-c4ccco4)nn23)cc1 | 10.1021/jm300899q | ||
| CHEMBL2180934 | 82896 | 0 | None | - | 0 | Human | 5.0 | pKi | = | 5.0 | Functional | ChEMBL | 375 | 5 | 1 | 9 | 2.9 | COc1ccc(CNc2nc3nn(C)cc3c3nc(-c4ccco4)nn23)cc1 | 10.1021/jm300899q | ||
| 162657141 | 180899 | 0 | None | - | 0 | Human | 5.0 | pKi | = | 5.0 | Functional | ChEMBL | 371 | 6 | 2 | 11 | 0.6 | CCOC(=O)C(CO)Nc1nc2nn(C)cc2c2nc(-c3ccco3)nn12 | 10.1039/d0md00380h | ||
| CHEMBL4757966 | 180899 | 0 | None | - | 0 | Human | 5.0 | pKi | = | 5.0 | Functional | ChEMBL | 371 | 6 | 2 | 11 | 0.6 | CCOC(=O)C(CO)Nc1nc2nn(C)cc2c2nc(-c3ccco3)nn12 | 10.1039/d0md00380h | ||
| 2690 | 900 | 66 | None | -31 | 5 | Human | 7.8 | pA2 | = | 7.8 | Functional | Guide to Pharmacology | 285 | 1 | 1 | 6 | 2.8 | Clc1ccc2c(c1)c1nc(nn1c(n2)N)c1ccco1 | 8937736 | ||
| 384 | 900 | 66 | None | -31 | 5 | Human | 7.8 | pA2 | = | 7.8 | Functional | Guide to Pharmacology | 285 | 1 | 1 | 6 | 2.8 | Clc1ccc2c(c1)c1nc(nn1c(n2)N)c1ccco1 | 8937736 | ||
| CHEMBL16687 | 900 | 66 | None | -31 | 5 | Human | 7.8 | pA2 | = | 7.8 | Functional | Guide to Pharmacology | 285 | 1 | 1 | 6 | 2.8 | Clc1ccc2c(c1)c1nc(nn1c(n2)N)c1ccco1 | 8937736 | ||
| 404 | 4067 | 33 | None | 1318 | 2 | Human | 7.9 | pA2 | = | 7.9 | Functional | Guide to Pharmacology | 428 | 10 | 3 | 8 | 0.8 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)NCCN | 8937736 | ||
| 432 | 4067 | 33 | None | 1318 | 2 | Human | 7.9 | pA2 | = | 7.9 | Functional | Guide to Pharmacology | 428 | 10 | 3 | 8 | 0.8 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)NCCN | 8937736 | ||
| 5697 | 4067 | 33 | None | 1318 | 2 | Human | 7.9 | pA2 | = | 7.9 | Functional | Guide to Pharmacology | 428 | 10 | 3 | 8 | 0.8 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)NCCN | 8937736 | ||
| CHEMBL273094 | 4067 | 33 | None | 1318 | 2 | Human | 7.9 | pA2 | = | 7.9 | Functional | Guide to Pharmacology | 428 | 10 | 3 | 8 | 0.8 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)NCCN | 8937736 | ||
| 2844 | 282 | 107 | None | -16 | 5 | Human | 8.3 | pEC50 | = | 8.3 | Functional | Drug Central | 267 | 2 | 4 | 9 | -2.0 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | None | ||
| 60961 | 282 | 107 | None | -16 | 5 | Human | 8.3 | pEC50 | = | 8.3 | Functional | Drug Central | 267 | 2 | 4 | 9 | -2.0 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | None | ||
| 90 | 282 | 107 | None | -16 | 5 | Human | 8.3 | pEC50 | = | 8.3 | Functional | Drug Central | 267 | 2 | 4 | 9 | -2.0 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | None | ||
| CHEMBL477 | 282 | 107 | None | -16 | 5 | Human | 8.3 | pEC50 | = | 8.3 | Functional | Drug Central | 267 | 2 | 4 | 9 | -2.0 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | None | ||
| DB00640 | 282 | 107 | None | -16 | 5 | Human | 8.3 | pEC50 | = | 8.3 | Functional | Drug Central | 267 | 2 | 4 | 9 | -2.0 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | None | ||
| 219024 | 3275 | 65 | None | -51 | 5 | Human | 8.3 | pEC50 | = | 8.3 | Functional | Drug Central | 390 | 4 | 5 | 12 | -2.4 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(nc2N)n1ncc(c1)C(=O)NC | None | ||
| 2362 | 3275 | 65 | None | -51 | 5 | Human | 8.3 | pEC50 | = | 8.3 | Functional | Drug Central | 390 | 4 | 5 | 12 | -2.4 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(nc2N)n1ncc(c1)C(=O)NC | None | ||
| 5596 | 3275 | 65 | None | -51 | 5 | Human | 8.3 | pEC50 | = | 8.3 | Functional | Drug Central | 390 | 4 | 5 | 12 | -2.4 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(nc2N)n1ncc(c1)C(=O)NC | None | ||
| CHEMBL317052 | 3275 | 65 | None | -51 | 5 | Human | 8.3 | pEC50 | = | 8.3 | Functional | Drug Central | 390 | 4 | 5 | 12 | -2.4 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(nc2N)n1ncc(c1)C(=O)NC | None | ||
| DB06213 | 3275 | 65 | None | -51 | 5 | Human | 8.3 | pEC50 | = | 8.3 | Functional | Drug Central | 390 | 4 | 5 | 12 | -2.4 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(nc2N)n1ncc(c1)C(=O)NC | None | ||
| 11224 | 579 | 35 | None | -6 | 7 | Mouse | 6.4 | pIC50 | = | 6.4 | Functional | Guide to Pharmacology | 433 | 4 | 1 | 7 | 2.1 | CCn1c(=O)c2c(C)c(sc2n(c1=O)CCC(F)(F)F)C(=O)N1CCC(CC1)O | 30576906 | ||
| 118016229 | 579 | 35 | None | -6 | 7 | Mouse | 6.4 | pIC50 | = | 6.4 | Functional | Guide to Pharmacology | 433 | 4 | 1 | 7 | 2.1 | CCn1c(=O)c2c(C)c(sc2n(c1=O)CCC(F)(F)F)C(=O)N1CCC(CC1)O | 30576906 | ||
| CHEMBL4522981 | 579 | 35 | None | -6 | 7 | Mouse | 6.4 | pIC50 | = | 6.4 | Functional | Guide to Pharmacology | 433 | 4 | 1 | 7 | 2.1 | CCn1c(=O)c2c(C)c(sc2n(c1=O)CCC(F)(F)F)C(=O)N1CCC(CC1)O | 30576906 | ||
| 11224 | 579 | 35 | None | -4 | 7 | Rat | 6.6 | pIC50 | = | 6.6 | Functional | Guide to Pharmacology | 433 | 4 | 1 | 7 | 2.1 | CCn1c(=O)c2c(C)c(sc2n(c1=O)CCC(F)(F)F)C(=O)N1CCC(CC1)O | 30576906 | ||
| 118016229 | 579 | 35 | None | -4 | 7 | Rat | 6.6 | pIC50 | = | 6.6 | Functional | Guide to Pharmacology | 433 | 4 | 1 | 7 | 2.1 | CCn1c(=O)c2c(C)c(sc2n(c1=O)CCC(F)(F)F)C(=O)N1CCC(CC1)O | 30576906 | ||
| CHEMBL4522981 | 579 | 35 | None | -4 | 7 | Rat | 6.6 | pIC50 | = | 6.6 | Functional | Guide to Pharmacology | 433 | 4 | 1 | 7 | 2.1 | CCn1c(=O)c2c(C)c(sc2n(c1=O)CCC(F)(F)F)C(=O)N1CCC(CC1)O | 30576906 | ||
| 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 |
| 10981286 | 1906 | 30 | None | -28183 | 4 | Human | 4.0 | pEC50 | = | 4 | Binding | ChEMBL | 361 | 5 | 4 | 9 | 0.0 | CCCCC#Cc1nc(NC)c2c(n1)n(cn2)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)CO | 10.1021/jm0109762 | ||
| 5599 | 1906 | 30 | None | -28183 | 4 | Human | 4.0 | pEC50 | = | 4 | Binding | ChEMBL | 361 | 5 | 4 | 9 | 0.0 | CCCCC#Cc1nc(NC)c2c(n1)n(cn2)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)CO | 10.1021/jm0109762 | ||
| 5736 | 1906 | 30 | None | -28183 | 4 | Human | 4.0 | pEC50 | = | 4 | Binding | ChEMBL | 361 | 5 | 4 | 9 | 0.0 | CCCCC#Cc1nc(NC)c2c(n1)n(cn2)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)CO | 10.1021/jm0109762 | ||
| CHEMBL260563 | 1906 | 30 | None | -28183 | 4 | Human | 4.0 | pEC50 | = | 4 | Binding | ChEMBL | 361 | 5 | 4 | 9 | 0.0 | CCCCC#Cc1nc(NC)c2c(n1)n(cn2)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)CO | 10.1021/jm0109762 | ||
| 11014608 | 96330 | 0 | None | - | 3 | Human | 4.0 | pEC50 | = | 4 | Binding | ChEMBL | 389 | 6 | 4 | 9 | 0.8 | CCCCC#Cc1nc(NC(C)C)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 | 10.1021/jm0109762 | ||
| CHEMBL261623 | 96330 | 0 | None | - | 3 | Human | 4.0 | pEC50 | = | 4 | Binding | ChEMBL | 389 | 6 | 4 | 9 | 0.8 | CCCCC#Cc1nc(NC(C)C)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 | 10.1021/jm0109762 | ||
| 10020580 | 107946 | 5 | None | - | 5 | Human | 4.0 | pEC50 | = | 4 | Binding | ChEMBL | 347 | 4 | 4 | 9 | -0.4 | CCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 | 10.1021/jm0109762 | ||
| CHEMBL319387 | 107946 | 5 | None | - | 5 | Human | 4.0 | pEC50 | = | 4 | Binding | ChEMBL | 347 | 4 | 4 | 9 | -0.4 | CCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 | 10.1021/jm0109762 | ||
| 11112381 | 159417 | 0 | None | - | 3 | Human | 4.0 | pEC50 | = | 4 | Binding | ChEMBL | 411 | 4 | 5 | 10 | -0.4 | CNc1nc(C#C[C@H](O)c2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O | 10.1021/jm0109762 | ||
| CHEMBL410115 | 159417 | 0 | None | - | 3 | Human | 4.0 | pEC50 | = | 4 | Binding | ChEMBL | 411 | 4 | 5 | 10 | -0.4 | CNc1nc(C#C[C@H](O)c2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O | 10.1021/jm0109762 | ||
| 10970819 | 168812 | 0 | None | - | 3 | Human | 4.0 | pEC50 | = | 4 | Binding | ChEMBL | 375 | 6 | 4 | 9 | 0.4 | CCCCC#Cc1nc(NCC)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 | 10.1021/jm0109762 | ||
| CHEMBL437842 | 168812 | 0 | None | - | 3 | Human | 4.0 | pEC50 | = | 4 | Binding | ChEMBL | 375 | 6 | 4 | 9 | 0.4 | CCCCC#Cc1nc(NCC)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 | 10.1021/jm0109762 | ||
| 11068963 | 198098 | 1 | None | - | 3 | Human | 4.0 | pEC50 | = | 4 | Binding | ChEMBL | 381 | 3 | 4 | 9 | -0.1 | CNc1nc(C#Cc2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O | 10.1021/jm0109762 | ||
| CHEMBL574597 | 198098 | 1 | None | - | 3 | Human | 4.0 | pEC50 | = | 4 | Binding | ChEMBL | 381 | 3 | 4 | 9 | -0.1 | CNc1nc(C#Cc2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O | 10.1021/jm0109762 | ||
| 9932840 | 77869 | 1 | None | - | 4 | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 438 | 4 | 5 | 10 | -0.8 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(C#CC(O)c4ccccc4)nc32)[C@H](O)[C@@H]1O | 10.1021/jm0109762 | ||
| CHEMBL2094083 | 77869 | 1 | None | - | 4 | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 438 | 4 | 5 | 10 | -0.8 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(C#CC(O)c4ccccc4)nc32)[C@H](O)[C@@H]1O | 10.1021/jm0109762 | ||
| 377 | 2738 | 53 | None | -1479 | 15 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/acs.jmedchem.8b01662 | ||
| 425 | 2738 | 53 | None | -1479 | 15 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/acs.jmedchem.8b01662 | ||
| 448222 | 2738 | 53 | None | -1479 | 15 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/acs.jmedchem.8b01662 | ||
| CHEMBL464859 | 2738 | 53 | None | -1479 | 15 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/acs.jmedchem.8b01662 | ||
| 377 | 2738 | 53 | None | -1479 | 15 | Human | 4.8 | pEC50 | = | 4.8 | Binding | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/acs.jmedchem.5b01402 | ||
| 425 | 2738 | 53 | None | -1479 | 15 | Human | 4.8 | pEC50 | = | 4.8 | Binding | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/acs.jmedchem.5b01402 | ||
| 448222 | 2738 | 53 | None | -1479 | 15 | Human | 4.8 | pEC50 | = | 4.8 | Binding | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/acs.jmedchem.5b01402 | ||
| CHEMBL464859 | 2738 | 53 | None | -1479 | 15 | Human | 4.8 | pEC50 | = | 4.8 | Binding | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/acs.jmedchem.5b01402 | ||
| 70682890 | 77785 | 5 | None | - | 3 | Human | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 425 | 5 | 5 | 10 | -0.0 | CCNc1nc(C#CC(O)c2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O | 10.1021/jm0109762 | ||
| CHEMBL2092788 | 77785 | 5 | None | - | 3 | Human | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 425 | 5 | 5 | 10 | -0.0 | CCNc1nc(C#CC(O)c2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O | 10.1021/jm0109762 | ||
| 23757284 | 85100 | 0 | None | - | 3 | Human | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 438 | 4 | 5 | 10 | -0.8 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(C#C[C@@H](O)c4ccccc4)nc32)[C@H](O)[C@@H]1O | 10.1021/jm0109762 | ||
| CHEMBL224874 | 85100 | 0 | None | - | 3 | Human | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 438 | 4 | 5 | 10 | -0.8 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(C#C[C@@H](O)c4ccccc4)nc32)[C@H](O)[C@@H]1O | 10.1021/jm0109762 | ||
| 25268841 | 8629 | 12 | None | - | 3 | Human | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 402 | 5 | 1 | 7 | 2.6 | Nc1nc(-c2ccccc2)c2c(n1)-c1cc(OCCN3CCOCC3)ccc1C2=O | 10.1021/acs.jmedchem.0c00914 | ||
| CHEMBL1095488 | 8629 | 12 | None | - | 3 | Human | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 402 | 5 | 1 | 7 | 2.6 | Nc1nc(-c2ccccc2)c2c(n1)-c1cc(OCCN3CCOCC3)ccc1C2=O | 10.1021/acs.jmedchem.0c00914 | ||
| 13830108 | 77806 | 1 | None | - | 4 | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 397 | 3 | 5 | 10 | -0.9 | Nc1nc(C#CC(O)c2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O | 10.1021/jm0109762 | ||
| CHEMBL2092941 | 77806 | 1 | None | - | 4 | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 397 | 3 | 5 | 10 | -0.9 | Nc1nc(C#CC(O)c2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O | 10.1021/jm0109762 | ||
| 23900137 | 95736 | 0 | None | - | 3 | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 438 | 4 | 5 | 10 | -0.8 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(C#C[C@H](O)c4ccccc4)nc32)[C@H](O)[C@@H]1O | 10.1021/jm0109762 | ||
| CHEMBL258534 | 95736 | 0 | None | - | 3 | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 438 | 4 | 5 | 10 | -0.8 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(C#C[C@H](O)c4ccccc4)nc32)[C@H](O)[C@@H]1O | 10.1021/jm0109762 | ||
| 2844 | 282 | 107 | None | -467 | 8 | Human | 4.6 | pEC50 | = | 4.6 | Binding | ChEMBL | 267 | 2 | 4 | 9 | -2.0 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/acs.jmedchem.0c01431 | ||
| 60961 | 282 | 107 | None | -467 | 8 | Human | 4.6 | pEC50 | = | 4.6 | Binding | ChEMBL | 267 | 2 | 4 | 9 | -2.0 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/acs.jmedchem.0c01431 | ||
| 90 | 282 | 107 | None | -467 | 8 | Human | 4.6 | pEC50 | = | 4.6 | Binding | ChEMBL | 267 | 2 | 4 | 9 | -2.0 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/acs.jmedchem.0c01431 | ||
| CHEMBL477 | 282 | 107 | None | -467 | 8 | Human | 4.6 | pEC50 | = | 4.6 | Binding | ChEMBL | 267 | 2 | 4 | 9 | -2.0 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/acs.jmedchem.0c01431 | ||
| DB00640 | 282 | 107 | None | -467 | 8 | Human | 4.6 | pEC50 | = | 4.6 | Binding | ChEMBL | 267 | 2 | 4 | 9 | -2.0 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/acs.jmedchem.0c01431 | ||
| 11026001 | 96298 | 0 | None | - | 3 | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 411 | 4 | 5 | 10 | -0.4 | CNc1nc(C#C[C@@H](O)c2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O | 10.1021/jm0109762 | ||
| CHEMBL261453 | 96298 | 0 | None | - | 3 | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 411 | 4 | 5 | 10 | -0.4 | CNc1nc(C#C[C@@H](O)c2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O | 10.1021/jm0109762 | ||
| 69427076 | 77783 | 0 | None | - | 3 | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 411 | 4 | 5 | 10 | -0.4 | CNc1nc(C#CC(O)c2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O | 10.1021/jm0109762 | ||
| CHEMBL2092786 | 77783 | 0 | None | - | 3 | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 411 | 4 | 5 | 10 | -0.4 | CNc1nc(C#CC(O)c2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O | 10.1021/jm0109762 | ||
| 377 | 2738 | 53 | None | -1479 | 15 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1007/s00044-004-0013-y | ||
| 425 | 2738 | 53 | None | -1479 | 15 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1007/s00044-004-0013-y | ||
| 448222 | 2738 | 53 | None | -1479 | 15 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1007/s00044-004-0013-y | ||
| CHEMBL464859 | 2738 | 53 | None | -1479 | 15 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1007/s00044-004-0013-y | ||
| 2844 | 282 | 107 | None | -467 | 8 | Human | 4.3 | pEC50 | = | 4.3 | Binding | ChEMBL | 267 | 2 | 4 | 9 | -2.0 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/acs.jmedchem.5b01402 | ||
| 60961 | 282 | 107 | None | -467 | 8 | Human | 4.3 | pEC50 | = | 4.3 | Binding | ChEMBL | 267 | 2 | 4 | 9 | -2.0 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/acs.jmedchem.5b01402 | ||
| 90 | 282 | 107 | None | -467 | 8 | Human | 4.3 | pEC50 | = | 4.3 | Binding | ChEMBL | 267 | 2 | 4 | 9 | -2.0 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/acs.jmedchem.5b01402 | ||
| CHEMBL477 | 282 | 107 | None | -467 | 8 | Human | 4.3 | pEC50 | = | 4.3 | Binding | ChEMBL | 267 | 2 | 4 | 9 | -2.0 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/acs.jmedchem.5b01402 | ||
| DB00640 | 282 | 107 | None | -467 | 8 | Human | 4.3 | pEC50 | = | 4.3 | Binding | ChEMBL | 267 | 2 | 4 | 9 | -2.0 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/acs.jmedchem.5b01402 | ||
| 70697521 | 77784 | 0 | None | - | 3 | Human | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 439 | 5 | 5 | 10 | 0.3 | CC(C)Nc1nc(C#CC(O)c2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O | 10.1021/jm0109762 | ||
| CHEMBL2092787 | 77784 | 0 | None | - | 3 | Human | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 439 | 5 | 5 | 10 | 0.3 | CC(C)Nc1nc(C#CC(O)c2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O | 10.1021/jm0109762 | ||
| 118719026 | 115409 | 0 | None | - | 5 | Human | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 582 | 13 | 4 | 8 | 2.1 | CC(C)(C)OC(=O)C1CCCN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1 | 10.1021/jm0109762 | ||
| CHEMBL3350613 | 115409 | 0 | None | - | 5 | Human | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 582 | 13 | 4 | 8 | 2.1 | CC(C)(C)OC(=O)C1CCCN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1 | 10.1021/jm0109762 | ||
| 9978117 | 158296 | 0 | None | - | 3 | Human | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 397 | 3 | 5 | 10 | -0.9 | Nc1nc(C#C[C@H](O)c2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O | 10.1021/jm0109762 | ||
| CHEMBL408918 | 158296 | 0 | None | - | 3 | Human | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 397 | 3 | 5 | 10 | -0.9 | Nc1nc(C#C[C@H](O)c2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O | 10.1021/jm0109762 | ||
| 123807 | 868 | 54 | None | -13803 | 13 | Human | 4.1 | pEC50 | = | 4.1 | Binding | ChEMBL | 369 | 4 | 4 | 9 | 0.4 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(Cl)nc2NC1CCCC1 | 10.1021/acs.jmedchem.5b01402 | ||
| 374 | 868 | 54 | None | -13803 | 13 | Human | 4.1 | pEC50 | = | 4.1 | Binding | ChEMBL | 369 | 4 | 4 | 9 | 0.4 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(Cl)nc2NC1CCCC1 | 10.1021/acs.jmedchem.5b01402 | ||
| 379 | 868 | 54 | None | -13803 | 13 | Human | 4.1 | pEC50 | = | 4.1 | Binding | ChEMBL | 369 | 4 | 4 | 9 | 0.4 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(Cl)nc2NC1CCCC1 | 10.1021/acs.jmedchem.5b01402 | ||
| CHEMBL284969 | 868 | 54 | None | -13803 | 13 | Human | 4.1 | pEC50 | = | 4.1 | Binding | ChEMBL | 369 | 4 | 4 | 9 | 0.4 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(Cl)nc2NC1CCCC1 | 10.1021/acs.jmedchem.5b01402 | ||
| 10455080 | 95737 | 0 | None | - | 3 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 425 | 5 | 5 | 10 | -0.0 | CCNc1nc(C#C[C@@H](O)c2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O | 10.1021/jm0109762 | ||
| CHEMBL258535 | 95737 | 0 | None | - | 3 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 425 | 5 | 5 | 10 | -0.0 | CCNc1nc(C#C[C@@H](O)c2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O | 10.1021/jm0109762 | ||
| 11048438 | 168874 | 0 | None | - | 3 | Human | 5.1 | pEC50 | = | 5.1 | Binding | ChEMBL | 439 | 5 | 5 | 10 | 0.3 | CC(C)Nc1nc(C#C[C@H](O)c2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O | 10.1021/jm0109762 | ||
| CHEMBL438418 | 168874 | 0 | None | - | 3 | Human | 5.1 | pEC50 | = | 5.1 | Binding | ChEMBL | 439 | 5 | 5 | 10 | 0.3 | CC(C)Nc1nc(C#C[C@H](O)c2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O | 10.1021/jm0109762 | ||
| 11112711 | 159397 | 0 | None | - | 3 | Human | 5.0 | pEC50 | = | 5.0 | Binding | ChEMBL | 425 | 5 | 5 | 10 | -0.0 | CCNc1nc(C#C[C@H](O)c2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O | 10.1021/jm0109762 | ||
| CHEMBL410095 | 159397 | 0 | None | - | 3 | Human | 5.0 | pEC50 | = | 5.0 | Binding | ChEMBL | 425 | 5 | 5 | 10 | -0.0 | CCNc1nc(C#C[C@H](O)c2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O | 10.1021/jm0109762 | ||
| 44450290 | 96446 | 0 | None | - | 3 | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 397 | 3 | 5 | 10 | -0.9 | Nc1nc(C#C[C@@H](O)c2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O | 10.1021/jm0109762 | ||
| CHEMBL262363 | 96446 | 0 | None | - | 3 | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 397 | 3 | 5 | 10 | -0.9 | Nc1nc(C#C[C@@H](O)c2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O | 10.1021/jm0109762 | ||
| 215492 | 16439 | 3 | None | - | 3 | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 324 | 4 | 5 | 10 | -2.9 | Nc1ncnc2c1ncn2[C@@H]1O[C@H](C(=O)NCCO)[C@@H](O)[C@H]1O | 10.1021/acs.jmedchem.8b01662 | ||
| CHEMBL1234591 | 16439 | 3 | None | - | 3 | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 324 | 4 | 5 | 10 | -2.9 | Nc1ncnc2c1ncn2[C@@H]1O[C@H](C(=O)NCCO)[C@@H](O)[C@H]1O | 10.1021/acs.jmedchem.8b01662 | ||
| 10455852 | 96024 | 0 | None | - | 3 | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 439 | 5 | 5 | 10 | 0.3 | CC(C)Nc1nc(C#C[C@@H](O)c2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O | 10.1021/jm0109762 | ||
| CHEMBL259938 | 96024 | 0 | None | - | 3 | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 439 | 5 | 5 | 10 | 0.3 | CC(C)Nc1nc(C#C[C@@H](O)c2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O | 10.1021/jm0109762 | ||
| 3284 | 3194 | 35 | None | -1 | 7 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 528 | 6 | 2 | 7 | 2.7 | CCCn1c(=O)[nH]c2c(c1=O)[nH]c(n2)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)Cl | 10.1021/acs.jmedchem.7b01627 | ||
| 44185871 | 3194 | 35 | None | -1 | 7 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 528 | 6 | 2 | 7 | 2.7 | CCCn1c(=O)[nH]c2c(c1=O)[nH]c(n2)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)Cl | 10.1021/acs.jmedchem.7b01627 | ||
| 5728 | 3194 | 35 | None | -1 | 7 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 528 | 6 | 2 | 7 | 2.7 | CCCn1c(=O)[nH]c2c(c1=O)[nH]c(n2)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)Cl | 10.1021/acs.jmedchem.7b01627 | ||
| CHEMBL483688 | 3194 | 35 | None | -1 | 7 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 528 | 6 | 2 | 7 | 2.7 | CCCn1c(=O)[nH]c2c(c1=O)[nH]c(n2)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)Cl | 10.1021/acs.jmedchem.7b01627 | ||
| 3284 | 3194 | 35 | None | -1 | 7 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 528 | 6 | 2 | 7 | 2.7 | CCCn1c(=O)[nH]c2c(c1=O)[nH]c(n2)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)Cl | 10.1021/acs.jmedchem.7b01627 | ||
| 44185871 | 3194 | 35 | None | -1 | 7 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 528 | 6 | 2 | 7 | 2.7 | CCCn1c(=O)[nH]c2c(c1=O)[nH]c(n2)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)Cl | 10.1021/acs.jmedchem.7b01627 | ||
| 5728 | 3194 | 35 | None | -1 | 7 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 528 | 6 | 2 | 7 | 2.7 | CCCn1c(=O)[nH]c2c(c1=O)[nH]c(n2)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)Cl | 10.1021/acs.jmedchem.7b01627 | ||
| CHEMBL483688 | 3194 | 35 | None | -1 | 7 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 528 | 6 | 2 | 7 | 2.7 | CCCn1c(=O)[nH]c2c(c1=O)[nH]c(n2)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)Cl | 10.1021/acs.jmedchem.7b01627 | ||
| 16037920 | 168738 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 571 | 5 | 1 | 7 | 2.5 | Cn1c(=O)c2[nH]c(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc(Br)cc5)CC4)cc3)cc2n(C)c1=O | 10.1016/j.bmcl.2006.04.074 | ||
| CHEMBL437309 | 168738 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 571 | 5 | 1 | 7 | 2.5 | Cn1c(=O)c2[nH]c(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc(Br)cc5)CC4)cc3)cc2n(C)c1=O | 10.1016/j.bmcl.2006.04.074 | ||
| 74944536 | 164565 | 3 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 540 | 7 | 0 | 7 | 2.8 | CCCN1C(=O)N=C2N=C(c3ccc(S(=O)(=O)N4CCN(Cc5ccc(Cl)cc5)CC4)cc3)N=C2C1=O | 10.1021/acs.jmedchem.7b01627 | ||
| CHEMBL4215606 | 164565 | 3 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 540 | 7 | 0 | 7 | 2.8 | CCCN1C(=O)N=C2N=C(c3ccc(S(=O)(=O)N4CCN(Cc5ccc(Cl)cc5)CC4)cc3)N=C2C1=O | 10.1021/acs.jmedchem.7b01627 | ||
| 44413112 | 139280 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 511 | 5 | 1 | 7 | 1.9 | Cn1c(=O)c2[nH]c(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc(F)cc5)CC4)cc3)cc2n(C)c1=O | 10.1016/j.bmcl.2006.04.074 | ||
| CHEMBL379217 | 139280 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 511 | 5 | 1 | 7 | 1.9 | Cn1c(=O)c2[nH]c(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc(F)cc5)CC4)cc3)cc2n(C)c1=O | 10.1016/j.bmcl.2006.04.074 | ||
| 134148336 | 148303 | 0 | None | - | 2 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 395 | 4 | 2 | 4 | 5.7 | O[C@H]1CC[C@H](Nc2ncc(-c3ccc4ccccc4c3)c(-c3ccccc3)n2)CC1 | 10.1016/j.ejmech.2016.09.081 | ||
| CHEMBL3937015 | 148303 | 0 | None | - | 2 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 395 | 4 | 2 | 4 | 5.7 | O[C@H]1CC[C@H](Nc2ncc(-c3ccc4ccccc4c3)c(-c3ccccc3)n2)CC1 | 10.1016/j.ejmech.2016.09.081 | ||
| 2519 | 776 | 86 | None | -11 | 12 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | 10.1021/acs.jmedchem.1c00261 | ||
| 407 | 776 | 86 | None | -11 | 12 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | 10.1021/acs.jmedchem.1c00261 | ||
| 463 | 776 | 86 | None | -11 | 12 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | 10.1021/acs.jmedchem.1c00261 | ||
| CHEMBL113 | 776 | 86 | None | -11 | 12 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | 10.1021/acs.jmedchem.1c00261 | ||
| DB00201 | 776 | 86 | None | -11 | 12 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | 10.1021/acs.jmedchem.1c00261 | ||
| 44236568 | 156446 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 486 | 6 | 1 | 8 | 3.1 | CCCn1c(=O)c2[nH]c(-c3cnn(CC#Cc4cccc(OC(F)(F)F)c4)c3)nc2n(CC)c1=O | 10.1016/j.ejmech.2017.04.014 | ||
| CHEMBL4067401 | 156446 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 486 | 6 | 1 | 8 | 3.1 | CCCn1c(=O)c2[nH]c(-c3cnn(CC#Cc4cccc(OC(F)(F)F)c4)c3)nc2n(CC)c1=O | 10.1016/j.ejmech.2017.04.014 | ||
| 155552077 | 175404 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 496 | 6 | 1 | 9 | 2.6 | Cc1csc2c1c(=O)n(CCc1ccccc1)c(=O)n2Cc1nc2cc(S(N)(=O)=O)ccc2o1 | 10.1016/j.ejmech.2018.11.045 | ||
| CHEMBL4576194 | 175404 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 496 | 6 | 1 | 9 | 2.6 | Cc1csc2c1c(=O)n(CCc1ccccc1)c(=O)n2Cc1nc2cc(S(N)(=O)=O)ccc2o1 | 10.1016/j.ejmech.2018.11.045 | ||
| 155542641 | 173130 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 424 | 8 | 0 | 8 | 2.7 | COCCn1c(=O)n(CCc2ccccc2)c(=O)c2c(C)c(Cn3ccnc3)sc21 | 10.1016/j.ejmech.2018.11.045 | ||
| CHEMBL4521489 | 173130 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 424 | 8 | 0 | 8 | 2.7 | COCCn1c(=O)n(CCc2ccccc2)c(=O)c2c(C)c(Cn3ccnc3)sc21 | 10.1016/j.ejmech.2018.11.045 | ||
| 10237847 | 77430 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 411 | 4 | 2 | 7 | 1.4 | Cn1c(=O)c2[nH]c(-c3ccc(S(=O)(=O)Nc4ccccn4)cc3)cc2n(C)c1=O | 10.1016/j.bmcl.2006.04.074 | ||
| CHEMBL208705 | 77430 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 411 | 4 | 2 | 7 | 1.4 | Cn1c(=O)c2[nH]c(-c3ccc(S(=O)(=O)Nc4ccccn4)cc3)cc2n(C)c1=O | 10.1016/j.bmcl.2006.04.074 | ||
| 10196517 | 78294 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 553 | 8 | 2 | 7 | 3.3 | CCn1c(=O)c2[nH]c(-c3ccc(S(=O)(=O)NC4CCN(Cc5ccc(F)cc5)CC4)cc3)cc2n(CC)c1=O | 10.1016/j.bmcl.2006.04.074 | ||
| CHEMBL210969 | 78294 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 553 | 8 | 2 | 7 | 3.3 | CCn1c(=O)c2[nH]c(-c3ccc(S(=O)(=O)NC4CCN(Cc5ccc(F)cc5)CC4)cc3)cc2n(CC)c1=O | 10.1016/j.bmcl.2006.04.074 | ||
| 155568402 | 175987 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 468 | 8 | 1 | 9 | 2.4 | COCCn1c(=O)n(CCc2ccccc2)c(=O)c2c(C)c(C(C)(O)c3cncn3C)sc21 | 10.1016/j.ejmech.2018.11.045 | ||
| CHEMBL4589654 | 175987 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 468 | 8 | 1 | 9 | 2.4 | COCCn1c(=O)n(CCc2ccccc2)c(=O)c2c(C)c(C(C)(O)c3cncn3C)sc21 | 10.1016/j.ejmech.2018.11.045 | ||
| 2690 | 900 | 66 | None | -30 | 9 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 285 | 1 | 1 | 6 | 2.8 | Clc1ccc2c(c1)c1nc(nn1c(n2)N)c1ccco1 | 10.1021/jm980094b | ||
| 384 | 900 | 66 | None | -30 | 9 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 285 | 1 | 1 | 6 | 2.8 | Clc1ccc2c(c1)c1nc(nn1c(n2)N)c1ccco1 | 10.1021/jm980094b | ||
| CHEMBL16687 | 900 | 66 | None | -30 | 9 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 285 | 1 | 1 | 6 | 2.8 | Clc1ccc2c(c1)c1nc(nn1c(n2)N)c1ccco1 | 10.1021/jm980094b | ||
| 10812045 | 15489 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 419 | 7 | 1 | 7 | 2.9 | COc1cc(N)c(Cl)cc1C(=O)OCCN1CCN(c2ccccc2OC)CC1 | 10.1039/C1MD00213A | ||
| CHEMBL121766 | 15489 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 419 | 7 | 1 | 7 | 2.9 | COc1cc(N)c(Cl)cc1C(=O)OCCN1CCN(c2ccccc2OC)CC1 | 10.1039/C1MD00213A | ||
| 44413202 | 78364 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 565 | 7 | 1 | 9 | 2.3 | CCCn1c(=O)n(C)c(=O)c2[nH]c(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc6c(c5)OCO6)CC4)cc3)cc21 | 10.1016/j.bmcl.2006.04.074 | ||
| CHEMBL211071 | 78364 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 565 | 7 | 1 | 9 | 2.3 | CCCn1c(=O)n(C)c(=O)c2[nH]c(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc6c(c5)OCO6)CC4)cc3)cc21 | 10.1016/j.bmcl.2006.04.074 | ||
| 155527056 | 171117 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 366 | 5 | 1 | 6 | 2.5 | Cc1csc2c1c(=O)n(CCc1ccccc1)c(=O)n2Cc1ncc[nH]1 | 10.1016/j.ejmech.2018.11.045 | ||
| CHEMBL4458469 | 171117 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 366 | 5 | 1 | 6 | 2.5 | Cc1csc2c1c(=O)n(CCc1ccccc1)c(=O)n2Cc1ncc[nH]1 | 10.1016/j.ejmech.2018.11.045 | ||
| 155550407 | 173907 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 325 | 4 | 0 | 6 | 2.3 | Cc1csc2c1c(=O)n(CCc1ccccc1)c(=O)n2CC#N | 10.1016/j.ejmech.2018.11.045 | ||
| CHEMBL4540909 | 173907 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 325 | 4 | 0 | 6 | 2.3 | Cc1csc2c1c(=O)n(CCc1ccccc1)c(=O)n2CC#N | 10.1016/j.ejmech.2018.11.045 | ||
| 155525648 | 171069 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 366 | 5 | 1 | 6 | 2.5 | Cc1csc2c1c(=O)n(CCc1ccccc1)c(=O)n2Cc1cnc[nH]1 | 10.1016/j.ejmech.2018.11.045 | ||
| CHEMBL4457584 | 171069 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 366 | 5 | 1 | 6 | 2.5 | Cc1csc2c1c(=O)n(CCc1ccccc1)c(=O)n2Cc1cnc[nH]1 | 10.1016/j.ejmech.2018.11.045 | ||
| 10766773 | 208096 | 0 | None | - | 3 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 356 | 4 | 2 | 7 | 2.5 | NCCC(=O)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12 | 10.1021/jm980094b | ||
| CHEMBL97961 | 208096 | 0 | None | - | 3 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 356 | 4 | 2 | 7 | 2.5 | NCCC(=O)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12 | 10.1021/jm980094b | ||
| 155515805 | 169983 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 332 | 5 | 0 | 5 | 2.7 | Cc1csc2c1c(=O)n(CCc1ccccc1)c(=O)n2CCF | 10.1016/j.ejmech.2018.11.045 | ||
| CHEMBL4442438 | 169983 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 332 | 5 | 0 | 5 | 2.7 | Cc1csc2c1c(=O)n(CCc1ccccc1)c(=O)n2CCF | 10.1016/j.ejmech.2018.11.045 | ||
| 155526484 | 171102 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 414 | 8 | 1 | 7 | 2.9 | COCCn1c(=O)n(CCc2ccccc2)c(=O)c2c(C)c(C(O)C3CC3)sc21 | 10.1016/j.ejmech.2018.11.045 | ||
| CHEMBL4458223 | 171102 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 414 | 8 | 1 | 7 | 2.9 | COCCn1c(=O)n(CCc2ccccc2)c(=O)c2c(C)c(C(O)C3CC3)sc21 | 10.1016/j.ejmech.2018.11.045 | ||
| 10288169 | 79730 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 439 | 6 | 2 | 7 | 1.1 | Cn1c(=O)c2[nH]c(-c3ccc(S(=O)(=O)NCCc4ccccn4)cc3)cc2n(C)c1=O | 10.1016/j.bmcl.2006.04.074 | ||
| CHEMBL211762 | 79730 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 439 | 6 | 2 | 7 | 1.1 | Cn1c(=O)c2[nH]c(-c3ccc(S(=O)(=O)NCCc4ccccn4)cc3)cc2n(C)c1=O | 10.1016/j.bmcl.2006.04.074 | ||
| 155515166 | 169907 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 380 | 5 | 0 | 7 | 2.6 | Cc1csc2c1c(=O)n(CCc1ccccc1)c(=O)n2Cc1nccn1C | 10.1016/j.ejmech.2018.11.045 | ||
| CHEMBL4441343 | 169907 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 380 | 5 | 0 | 7 | 2.6 | Cc1csc2c1c(=O)n(CCc1ccccc1)c(=O)n2Cc1nccn1C | 10.1016/j.ejmech.2018.11.045 | ||
| 44413113 | 78289 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 539 | 7 | 1 | 7 | 2.8 | CCn1c(=O)c2[nH]c(-c3ccc(S(=O)(=O)N4CCN(Cc5cccc(F)c5)CC4)cc3)cc2n(CC)c1=O | 10.1016/j.bmcl.2006.04.074 | ||
| CHEMBL210931 | 78289 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 539 | 7 | 1 | 7 | 2.8 | CCn1c(=O)c2[nH]c(-c3ccc(S(=O)(=O)N4CCN(Cc5cccc(F)c5)CC4)cc3)cc2n(CC)c1=O | 10.1016/j.bmcl.2006.04.074 | ||
| 44413192 | 79904 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 483 | 8 | 2 | 8 | 2.0 | CCCn1c(=O)c2[nH]c(-c3ccc(S(=O)(=O)NCc4ccc(OC)cn4)cc3)cc2n(C)c1=O | 10.1016/j.bmcl.2006.04.074 | ||
| CHEMBL212528 | 79904 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 483 | 8 | 2 | 8 | 2.0 | CCCn1c(=O)c2[nH]c(-c3ccc(S(=O)(=O)NCc4ccc(OC)cn4)cc3)cc2n(C)c1=O | 10.1016/j.bmcl.2006.04.074 | ||
| 122574772 | 171063 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 374 | 7 | 1 | 7 | 1.9 | COCCn1c(=O)n(CCc2ccccc2)c(=O)c2c(C)c(CO)sc21 | 10.1016/j.ejmech.2018.11.045 | ||
| CHEMBL4457476 | 171063 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 374 | 7 | 1 | 7 | 1.9 | COCCn1c(=O)n(CCc2ccccc2)c(=O)c2c(C)c(CO)sc21 | 10.1016/j.ejmech.2018.11.045 | ||
| 155548802 | 173784 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 428 | 8 | 1 | 7 | 3.0 | COCCn1c(=O)n(CCc2ccccc2)c(=O)c2c(C)c(C(C)(O)C3CC3)sc21 | 10.1016/j.ejmech.2018.11.045 | ||
| CHEMBL4538262 | 173784 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 428 | 8 | 1 | 7 | 3.0 | COCCn1c(=O)n(CCc2ccccc2)c(=O)c2c(C)c(C(C)(O)C3CC3)sc21 | 10.1016/j.ejmech.2018.11.045 | ||
| 155562247 | 175699 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 370 | 6 | 0 | 6 | 2.9 | COCCn1c(=O)n(CC2(c3ccccc3)CC2)c(=O)c2c(C)csc21 | 10.1016/j.ejmech.2018.11.045 | ||
| CHEMBL4582620 | 175699 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 370 | 6 | 0 | 6 | 2.9 | COCCn1c(=O)n(CC2(c3ccccc3)CC2)c(=O)c2c(C)csc21 | 10.1016/j.ejmech.2018.11.045 | ||
| 10311222 | 77714 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 493 | 5 | 1 | 7 | 1.7 | Cn1c(=O)c2[nH]c(-c3ccc(S(=O)(=O)N4CCN(Cc5ccccc5)CC4)cc3)cc2n(C)c1=O | 10.1016/j.bmcl.2006.04.074 | ||
| CHEMBL209019 | 77714 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 493 | 5 | 1 | 7 | 1.7 | Cn1c(=O)c2[nH]c(-c3ccc(S(=O)(=O)N4CCN(Cc5ccccc5)CC4)cc3)cc2n(C)c1=O | 10.1016/j.bmcl.2006.04.074 | ||
| 155521875 | 170584 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 310 | 4 | 0 | 6 | 2.2 | COCCn1c(=O)n(CC(C)(C)C)c(=O)c2c(C)csc21 | 10.1016/j.ejmech.2018.11.045 | ||
| CHEMBL4450782 | 170584 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 310 | 4 | 0 | 6 | 2.2 | COCCn1c(=O)n(CC(C)(C)C)c(=O)c2c(C)csc21 | 10.1016/j.ejmech.2018.11.045 | ||
| 10310578 | 77760 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 455 | 7 | 2 | 8 | 1.0 | Cn1c(=O)c2[nH]c(-c3ccc(S(=O)(=O)NCCOc4ccccn4)cc3)cc2n(C)c1=O | 10.1016/j.bmcl.2006.04.074 | ||
| CHEMBL209208 | 77760 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 455 | 7 | 2 | 8 | 1.0 | Cn1c(=O)c2[nH]c(-c3ccc(S(=O)(=O)NCCOc4ccccn4)cc3)cc2n(C)c1=O | 10.1016/j.bmcl.2006.04.074 | ||
| 10238677 | 79886 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 467 | 8 | 2 | 7 | 2.0 | CCCn1c(=O)c2[nH]c(-c3ccc(S(=O)(=O)NCCc4ccccn4)cc3)cc2n(C)c1=O | 10.1016/j.bmcl.2006.04.074 | ||
| CHEMBL212464 | 79886 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 467 | 8 | 2 | 7 | 2.0 | CCCn1c(=O)c2[nH]c(-c3ccc(S(=O)(=O)NCCc4ccccn4)cc3)cc2n(C)c1=O | 10.1016/j.bmcl.2006.04.074 | ||
| 44413193 | 140107 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 539 | 7 | 1 | 7 | 2.8 | CCCn1c(=O)n(C)c(=O)c2[nH]c(-c3ccc(S(=O)(=O)N4CCN(Cc5cccc(F)c5)CC4)cc3)cc21 | 10.1016/j.bmcl.2006.04.074 | ||
| CHEMBL380177 | 140107 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 539 | 7 | 1 | 7 | 2.8 | CCCn1c(=O)n(C)c(=O)c2[nH]c(-c3ccc(S(=O)(=O)N4CCN(Cc5cccc(F)c5)CC4)cc3)cc21 | 10.1016/j.bmcl.2006.04.074 | ||
| 155523243 | 170810 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 469 | 7 | 1 | 7 | 2.7 | Cc1csc2c1c(=O)n(CCc1ccccc1)c(=O)n2CCc1ccc(S(N)(=O)=O)cc1 | 10.1016/j.ejmech.2018.11.045 | ||
| CHEMBL4453664 | 170810 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 469 | 7 | 1 | 7 | 2.7 | Cc1csc2c1c(=O)n(CCc1ccccc1)c(=O)n2CCc1ccc(S(N)(=O)=O)cc1 | 10.1016/j.ejmech.2018.11.045 | ||
| 155533818 | 171872 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 416 | 8 | 0 | 8 | 2.6 | CCOC(=O)c1sc2c(c1C)c(=O)n(CCc1ccccc1)c(=O)n2CCOC | 10.1016/j.ejmech.2018.11.045 | ||
| CHEMBL4469697 | 171872 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 416 | 8 | 0 | 8 | 2.6 | CCOC(=O)c1sc2c(c1C)c(=O)n(CCc1ccccc1)c(=O)n2CCOC | 10.1016/j.ejmech.2018.11.045 | ||
| 10577289 | 208050 | 0 | None | - | 3 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 384 | 6 | 2 | 7 | 3.3 | NCCCCC(=O)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12 | 10.1021/jm980094b | ||
| CHEMBL97700 | 208050 | 0 | None | - | 3 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 384 | 6 | 2 | 7 | 3.3 | NCCCCC(=O)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12 | 10.1021/jm980094b | ||
| 10153029 | 78019 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 563 | 10 | 2 | 7 | 3.9 | CCCn1c(=O)c2[nH]c(-c3ccc(S(=O)(=O)NC4CCN(Cc5ccccc5)CC4)cc3)cc2n(CCC)c1=O | 10.1016/j.bmcl.2006.04.074 | ||
| CHEMBL209944 | 78019 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 563 | 10 | 2 | 7 | 3.9 | CCCn1c(=O)c2[nH]c(-c3ccc(S(=O)(=O)NC4CCN(Cc5ccccc5)CC4)cc3)cc2n(CCC)c1=O | 10.1016/j.bmcl.2006.04.074 | ||
| 10288197 | 78145 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 441 | 5 | 2 | 8 | 1.4 | COc1ccc(NS(=O)(=O)c2ccc(-c3cc4c([nH]3)c(=O)n(C)c(=O)n4C)cc2)cn1 | 10.1016/j.bmcl.2006.04.074 | ||
| CHEMBL210456 | 78145 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 441 | 5 | 2 | 8 | 1.4 | COc1ccc(NS(=O)(=O)c2ccc(-c3cc4c([nH]3)c(=O)n(C)c(=O)n4C)cc2)cn1 | 10.1016/j.bmcl.2006.04.074 | ||
| 155521508 | 170680 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 370 | 5 | 0 | 6 | 3.0 | Cc1csc2c1c(=O)n(CCc1ccccc1)c(=O)n2CC1CCCO1 | 10.1016/j.ejmech.2018.11.045 | ||
| CHEMBL4451942 | 170680 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 370 | 5 | 0 | 6 | 3.0 | Cc1csc2c1c(=O)n(CCc1ccccc1)c(=O)n2CC1CCCO1 | 10.1016/j.ejmech.2018.11.045 | ||
| 155555355 | 174418 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 452 | 8 | 0 | 9 | 2.4 | COCCn1c(=O)n(CCc2ccccc2)c(=O)c2c(C)c(C(=O)c3cn(C)cn3)sc21 | 10.1016/j.ejmech.2018.11.045 | ||
| CHEMBL4553423 | 174418 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 452 | 8 | 0 | 9 | 2.4 | COCCn1c(=O)n(CCc2ccccc2)c(=O)c2c(C)c(C(=O)c3cn(C)cn3)sc21 | 10.1016/j.ejmech.2018.11.045 | ||
| 155551709 | 175119 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 438 | 8 | 1 | 7 | 3.0 | COCCn1c(=O)n(CCc2ccccc2)c(=O)c2c(C)c(Cc3nc[nH]c3C)sc21 | 10.1016/j.ejmech.2018.11.045 | ||
| CHEMBL4569909 | 175119 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 438 | 8 | 1 | 7 | 3.0 | COCCn1c(=O)n(CCc2ccccc2)c(=O)c2c(C)c(Cc3nc[nH]c3C)sc21 | 10.1016/j.ejmech.2018.11.045 | ||
| 44413182 | 78146 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 455 | 6 | 2 | 8 | 1.1 | COc1ccc(CNS(=O)(=O)c2ccc(-c3cc4c([nH]3)c(=O)n(C)c(=O)n4C)cc2)nc1 | 10.1016/j.bmcl.2006.04.074 | ||
| CHEMBL210457 | 78146 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 455 | 6 | 2 | 8 | 1.1 | COc1ccc(CNS(=O)(=O)c2ccc(-c3cc4c([nH]3)c(=O)n(C)c(=O)n4C)cc2)nc1 | 10.1016/j.bmcl.2006.04.074 | ||
| 155521394 | 170566 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 443 | 7 | 1 | 8 | 1.2 | COCCn1c(=O)n(CCc2ccccc2)c(=O)c2c(C)c(C(=O)N3CC(O)C3)sc21 | 10.1016/j.ejmech.2018.11.045 | ||
| CHEMBL4450633 | 170566 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 443 | 7 | 1 | 8 | 1.2 | COCCn1c(=O)n(CCc2ccccc2)c(=O)c2c(C)c(C(=O)N3CC(O)C3)sc21 | 10.1016/j.ejmech.2018.11.045 | ||
| 155523200 | 170731 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 427 | 8 | 0 | 7 | 3.0 | COCCn1c(=O)n(CCc2ccccc2)c(=O)c2c(C)c(CN3CCCC3)sc21 | 10.1016/j.ejmech.2018.11.045 | ||
| CHEMBL4452532 | 170731 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 427 | 8 | 0 | 7 | 3.0 | COCCn1c(=O)n(CCc2ccccc2)c(=O)c2c(C)c(CN3CCCC3)sc21 | 10.1016/j.ejmech.2018.11.045 | ||
| 155526352 | 171189 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 358 | 6 | 0 | 6 | 2.7 | COCCn1c(=O)n(CCc2ccccc2)c(=O)c2c(C)c(C)sc21 | 10.1016/j.ejmech.2018.11.045 | ||
| CHEMBL4459477 | 171189 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 358 | 6 | 0 | 6 | 2.7 | COCCn1c(=O)n(CCc2ccccc2)c(=O)c2c(C)c(C)sc21 | 10.1016/j.ejmech.2018.11.045 | ||
| 155543633 | 173178 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 405 | 4 | 1 | 7 | 1.3 | CCn1c(=O)c2c(C)c(C(=O)N3CC(O)C3)sc2n(CCC(F)(F)F)c1=O | 10.1016/j.ejmech.2018.11.045 | ||
| CHEMBL4522738 | 173178 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 405 | 4 | 1 | 7 | 1.3 | CCn1c(=O)c2c(C)c(C(=O)N3CC(O)C3)sc2n(CCC(F)(F)F)c1=O | 10.1016/j.ejmech.2018.11.045 | ||
| 44236539 | 156768 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 460 | 7 | 2 | 8 | 2.3 | CCCn1c(=O)c2[nH]c(-c3cnn(CC#Cc4cccc(C(=O)O)c4)c3)nc2n(CCC)c1=O | 10.1016/j.ejmech.2017.04.014 | ||
| CHEMBL4070936 | 156768 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 460 | 7 | 2 | 8 | 2.3 | CCCn1c(=O)c2[nH]c(-c3cnn(CC#Cc4cccc(C(=O)O)c4)c3)nc2n(CCC)c1=O | 10.1016/j.ejmech.2017.04.014 | ||
| 10645984 | 18785 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 423 | 6 | 1 | 6 | 3.6 | COc1cc(N)c(Cl)cc1C(=O)OCCN1CCN(c2cccc(Cl)c2)CC1 | 10.1039/C1MD00213A | ||
| CHEMBL127876 | 18785 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 423 | 6 | 1 | 6 | 3.6 | COc1cc(N)c(Cl)cc1C(=O)OCCN1CCN(c2cccc(Cl)c2)CC1 | 10.1039/C1MD00213A | ||
| 155549589 | 173893 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 362 | 6 | 0 | 6 | 2.6 | COCCn1c(=O)n(CCc2ccccc2F)c(=O)c2c(C)csc21 | 10.1016/j.ejmech.2018.11.045 | ||
| CHEMBL4540558 | 173893 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 362 | 6 | 0 | 6 | 2.6 | COCCn1c(=O)n(CCc2ccccc2F)c(=O)c2c(C)csc21 | 10.1016/j.ejmech.2018.11.045 | ||
| 118016325 | 170049 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 388 | 7 | 1 | 7 | 2.1 | COCCn1c(=O)n(CCc2ccccc2)c(=O)c2c(C)c(C(=O)O)sc21 | 10.1016/j.ejmech.2018.11.045 | ||
| CHEMBL4443243 | 170049 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 388 | 7 | 1 | 7 | 2.1 | COCCn1c(=O)n(CCc2ccccc2)c(=O)c2c(C)c(C(=O)O)sc21 | 10.1016/j.ejmech.2018.11.045 | ||
| 155514761 | 169867 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 294 | 4 | 0 | 6 | 1.4 | CCn1c(=O)c2c3c(sc2n(CCOC)c1=O)CCC3 | 10.1016/j.ejmech.2018.11.045 | ||
| CHEMBL4440686 | 169867 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 294 | 4 | 0 | 6 | 1.4 | CCn1c(=O)c2c3c(sc2n(CCOC)c1=O)CCC3 | 10.1016/j.ejmech.2018.11.045 | ||
| 45073485 | 163593 | 7 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 506 | 7 | 0 | 7 | 2.2 | CCCN1C(=O)N=C2N=C(c3ccc(S(=O)(=O)N4CCN(Cc5ccccc5)CC4)cc3)N=C2C1=O | 10.1021/acs.jmedchem.7b01627 | ||
| CHEMBL4203745 | 163593 | 7 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 506 | 7 | 0 | 7 | 2.2 | CCCN1C(=O)N=C2N=C(c3ccc(S(=O)(=O)N4CCN(Cc5ccccc5)CC4)cc3)N=C2C1=O | 10.1021/acs.jmedchem.7b01627 | ||
| 155562338 | 175823 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 448 | 8 | 0 | 7 | 3.7 | COCCn1c(=O)n(CCc2ccccc2)c(=O)c2c(C)c(C(=O)c3ccccc3)sc21 | 10.1016/j.ejmech.2018.11.045 | ||
| CHEMBL4585480 | 175823 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 448 | 8 | 0 | 7 | 3.7 | COCCn1c(=O)n(CCc2ccccc2)c(=O)c2c(C)c(C(=O)c3ccccc3)sc21 | 10.1016/j.ejmech.2018.11.045 | ||
| 10474279 | 107283 | 0 | None | - | 3 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 369 | 2 | 1 | 6 | 4.2 | CC(C)(C)C(=O)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12 | 10.1021/jm980094b | ||
| CHEMBL317310 | 107283 | 0 | None | - | 3 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 369 | 2 | 1 | 6 | 4.2 | CC(C)(C)C(=O)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12 | 10.1021/jm980094b | ||
| 10691504 | 207758 | 0 | None | - | 3 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 385 | 2 | 1 | 7 | 4.5 | CC(C)(C)OC(=O)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12 | 10.1021/jm980094b | ||
| CHEMBL96041 | 207758 | 0 | None | - | 3 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 385 | 2 | 1 | 7 | 4.5 | CC(C)(C)OC(=O)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12 | 10.1021/jm980094b | ||
| 10669778 | 117449 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 419 | 7 | 1 | 7 | 2.9 | COc1ccc(N2CCN(CCOC(=O)c3cc(Cl)c(N)cc3OC)CC2)cc1 | 10.1039/C1MD00213A | ||
| CHEMBL339936 | 117449 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 419 | 7 | 1 | 7 | 2.9 | COc1ccc(N2CCN(CCOC(=O)c3cc(Cl)c(N)cc3OC)CC2)cc1 | 10.1039/C1MD00213A | ||
| 155522968 | 170745 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 442 | 9 | 0 | 7 | 3.9 | COCCn1c(=O)n(CCc2ccccc2)c(=O)c2c(C)c(COC3CCCC3)sc21 | 10.1016/j.ejmech.2018.11.045 | ||
| CHEMBL4452799 | 170745 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 442 | 9 | 0 | 7 | 3.9 | COCCn1c(=O)n(CCc2ccccc2)c(=O)c2c(C)c(COC3CCCC3)sc21 | 10.1016/j.ejmech.2018.11.045 | ||
| 155558166 | 174730 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 441 | 7 | 0 | 7 | 2.7 | COCCn1c(=O)n(CCc2ccccc2)c(=O)c2c(C)c(C(=O)N3CCCC3)sc21 | 10.1016/j.ejmech.2018.11.045 | ||
| CHEMBL4560841 | 174730 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 441 | 7 | 0 | 7 | 2.7 | COCCn1c(=O)n(CCc2ccccc2)c(=O)c2c(C)c(C(=O)N3CCCC3)sc21 | 10.1016/j.ejmech.2018.11.045 | ||
| 71600087 | 154333 | 54 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 459 | 6 | 2 | 5 | 4.4 | CCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(-c2cn(C)c(=O)c3[nH]ccc23)c1 | 10.1021/acs.jmedchem.7b00746 | ||
| CHEMBL3987016 | 154333 | 54 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 459 | 6 | 2 | 5 | 4.4 | CCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(-c2cn(C)c(=O)c3[nH]ccc23)c1 | 10.1021/acs.jmedchem.7b00746 | ||
| 10616222 | 107419 | 0 | None | - | 3 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 327 | 2 | 1 | 6 | 3.1 | CC(=O)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12 | 10.1021/jm980094b | ||
| CHEMBL318251 | 107419 | 0 | None | - | 3 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 327 | 2 | 1 | 6 | 3.1 | CC(=O)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12 | 10.1021/jm980094b | ||
| 44413130 | 79929 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 494 | 5 | 1 | 8 | 1.1 | Cn1c(=O)c2[nH]c(-c3ccc(S(=O)(=O)N4CCN(Cc5ccncc5)CC4)cc3)cc2n(C)c1=O | 10.1016/j.bmcl.2006.04.074 | ||
| CHEMBL212642 | 79929 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 494 | 5 | 1 | 8 | 1.1 | Cn1c(=O)c2[nH]c(-c3ccc(S(=O)(=O)N4CCN(Cc5ccncc5)CC4)cc3)cc2n(C)c1=O | 10.1016/j.bmcl.2006.04.074 | ||
| 10339165 | 207721 | 0 | None | -2 | 4 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 370 | 5 | 2 | 7 | 2.9 | NCCCC(=O)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12 | 10.1021/jm980094b | ||
| CHEMBL95811 | 207721 | 0 | None | -2 | 4 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 370 | 5 | 2 | 7 | 2.9 | NCCCC(=O)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12 | 10.1021/jm980094b | ||
| 135418256 | 15537 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 326 | 4 | 1 | 5 | 3.7 | CCCCc1nc2[nH]ncc2c2nc(-c3ccc(Cl)cc3)nn12 | 10.1016/j.bmcl.2004.04.099 | ||
| CHEMBL122037 | 15537 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 326 | 4 | 1 | 5 | 3.7 | CCCCc1nc2[nH]ncc2c2nc(-c3ccc(Cl)cc3)nn12 | 10.1016/j.bmcl.2004.04.099 | ||
| 11224 | 579 | 35 | None | - | 1 | Rat | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 433 | 4 | 1 | 7 | 2.1 | CCn1c(=O)c2c(C)c(sc2n(c1=O)CCC(F)(F)F)C(=O)N1CCC(CC1)O | 10.1016/j.ejmech.2018.11.045 | ||
| 118016229 | 579 | 35 | None | - | 1 | Rat | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 433 | 4 | 1 | 7 | 2.1 | CCn1c(=O)c2c(C)c(sc2n(c1=O)CCC(F)(F)F)C(=O)N1CCC(CC1)O | 10.1016/j.ejmech.2018.11.045 | ||
| CHEMBL4522981 | 579 | 35 | None | - | 1 | Rat | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 433 | 4 | 1 | 7 | 2.1 | CCn1c(=O)c2c(C)c(sc2n(c1=O)CCC(F)(F)F)C(=O)N1CCC(CC1)O | 10.1016/j.ejmech.2018.11.045 | ||
| 155548182 | 173764 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 345 | 6 | 0 | 7 | 1.8 | COCCn1c(=O)n(CCc2cccnc2)c(=O)c2c(C)csc21 | 10.1016/j.ejmech.2018.11.045 | ||
| CHEMBL4537687 | 173764 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 345 | 6 | 0 | 7 | 1.8 | COCCn1c(=O)n(CCc2cccnc2)c(=O)c2c(C)csc21 | 10.1016/j.ejmech.2018.11.045 | ||
| 155536243 | 172156 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 470 | 8 | 0 | 6 | 4.6 | COCCn1c(=O)n(CCc2ccccc2)c(=O)c2c(C)c(C(F)(F)c3ccccc3)sc21 | 10.1016/j.ejmech.2018.11.045 | ||
| CHEMBL4473551 | 172156 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 470 | 8 | 0 | 6 | 4.6 | COCCn1c(=O)n(CCc2ccccc2)c(=O)c2c(C)c(C(F)(F)c3ccccc3)sc21 | 10.1016/j.ejmech.2018.11.045 | ||
| 1329 | 1460 | 86 | None | -1288 | 14 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 304 | 5 | 1 | 5 | 2.4 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C1CCCC1 | 10.1021/acs.jmedchem.7b01627 | ||
| 386 | 1460 | 86 | None | -1288 | 14 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 304 | 5 | 1 | 5 | 2.4 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C1CCCC1 | 10.1021/acs.jmedchem.7b01627 | ||
| CHEMBL183 | 1460 | 86 | None | -1288 | 14 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 304 | 5 | 1 | 5 | 2.4 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C1CCCC1 | 10.1021/acs.jmedchem.7b01627 | ||
| DB12946 | 1460 | 86 | None | -1288 | 14 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 304 | 5 | 1 | 5 | 2.4 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C1CCCC1 | 10.1021/acs.jmedchem.7b01627 | ||
| 155519860 | 170391 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 450 | 8 | 1 | 7 | 3.5 | COCCn1c(=O)n(CCc2ccccc2)c(=O)c2c(C)c(C(O)c3ccccc3)sc21 | 10.1016/j.ejmech.2018.11.045 | ||
| CHEMBL4448231 | 170391 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 450 | 8 | 1 | 7 | 3.5 | COCCn1c(=O)n(CCc2ccccc2)c(=O)c2c(C)c(C(O)c3ccccc3)sc21 | 10.1016/j.ejmech.2018.11.045 | ||
| 155544551 | 173370 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 344 | 6 | 0 | 6 | 2.4 | COCCn1c(=O)n(CCc2ccccc2)c(=O)c2c(C)csc21 | 10.1016/j.ejmech.2018.11.045 | ||
| CHEMBL4528081 | 173370 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 344 | 6 | 0 | 6 | 2.4 | COCCn1c(=O)n(CCc2ccccc2)c(=O)c2c(C)csc21 | 10.1016/j.ejmech.2018.11.045 | ||
| 449 | 2625 | 52 | None | -1 | 9 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 486 | 9 | 2 | 8 | 3.3 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)C#N | nan | ||
| 453 | 2625 | 52 | None | -1 | 9 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 486 | 9 | 2 | 8 | 3.3 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)C#N | nan | ||
| 6603931 | 2625 | 52 | None | -1 | 9 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 486 | 9 | 2 | 8 | 3.3 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)C#N | nan | ||
| CHEMBL273807 | 2625 | 52 | None | -1 | 9 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 486 | 9 | 2 | 8 | 3.3 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)C#N | nan | ||
| 71601630 | 86893 | 0 | None | - | 2 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 225 | 1 | 1 | 5 | 1.7 | Cc1nc(N)c2nn(-c3ccccc3)cc2n1 | 10.1021/jm400068e | ||
| CHEMBL2322916 | 86893 | 0 | None | - | 2 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 225 | 1 | 1 | 5 | 1.7 | Cc1nc(N)c2nn(-c3ccccc3)cc2n1 | 10.1021/jm400068e | ||
| 155517038 | 170135 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 378 | 6 | 0 | 6 | 3.1 | COCCn1c(=O)n(CCc2ccccc2)c(=O)c2c(C)c(Cl)sc21 | 10.1016/j.ejmech.2018.11.045 | ||
| CHEMBL4444370 | 170135 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 378 | 6 | 0 | 6 | 3.1 | COCCn1c(=O)n(CCc2ccccc2)c(=O)c2c(C)c(Cl)sc21 | 10.1016/j.ejmech.2018.11.045 | ||
| 155541364 | 172966 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 380 | 5 | 1 | 6 | 2.9 | Cc1[nH]cnc1Cn1c(=O)n(CCc2ccccc2)c(=O)c2c(C)csc21 | 10.1016/j.ejmech.2018.11.045 | ||
| CHEMBL4517977 | 172966 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 380 | 5 | 1 | 6 | 2.9 | Cc1[nH]cnc1Cn1c(=O)n(CCc2ccccc2)c(=O)c2c(C)csc21 | 10.1016/j.ejmech.2018.11.045 | ||
| 10717193 | 16750 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 423 | 6 | 1 | 6 | 3.6 | COc1cc(N)c(Cl)cc1C(=O)OCCN1CCN(c2ccc(Cl)cc2)CC1 | 10.1039/C1MD00213A | ||
| CHEMBL124485 | 16750 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 423 | 6 | 1 | 6 | 3.6 | COc1cc(N)c(Cl)cc1C(=O)OCCN1CCN(c2ccc(Cl)cc2)CC1 | 10.1039/C1MD00213A | ||
| 155526277 | 171094 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 449 | 7 | 1 | 7 | 2.7 | CCN(CC(C)(C)O)C(=O)c1sc2c(c1C)c(=O)n(CC)c(=O)n2CCC(F)(F)F | 10.1016/j.ejmech.2018.11.045 | ||
| CHEMBL4458042 | 171094 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 449 | 7 | 1 | 7 | 2.7 | CCN(CC(C)(C)O)C(=O)c1sc2c(c1C)c(=O)n(CC)c(=O)n2CCC(F)(F)F | 10.1016/j.ejmech.2018.11.045 | ||
| 155522797 | 170777 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 308 | 4 | 0 | 6 | 1.8 | CCn1c(=O)c2c3c(sc2n(CCOC)c1=O)CCCC3 | 10.1016/j.ejmech.2018.11.045 | ||
| CHEMBL4453228 | 170777 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 308 | 4 | 0 | 6 | 1.8 | CCn1c(=O)c2c3c(sc2n(CCOC)c1=O)CCCC3 | 10.1016/j.ejmech.2018.11.045 | ||
| 155548102 | 173694 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 431 | 8 | 0 | 8 | 2.1 | COCCn1c(=O)n(CCc2ccccc2)c(=O)c2c(C)c(C(=O)N(C)OC)sc21 | 10.1016/j.ejmech.2018.11.045 | ||
| CHEMBL4536104 | 173694 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 431 | 8 | 0 | 8 | 2.1 | COCCn1c(=O)n(CCc2ccccc2)c(=O)c2c(C)c(C(=O)N(C)OC)sc21 | 10.1016/j.ejmech.2018.11.045 | ||
| 10218183 | 79737 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 533 | 5 | 1 | 8 | 2.5 | Cn1c(=O)c2[nH]c(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc(Cl)s5)CC4)cc3)cc2n(C)c1=O | 10.1016/j.bmcl.2006.04.074 | ||
| CHEMBL211813 | 79737 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 533 | 5 | 1 | 8 | 2.5 | Cn1c(=O)c2[nH]c(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc(Cl)s5)CC4)cc3)cc2n(C)c1=O | 10.1016/j.bmcl.2006.04.074 | ||
| 11224 | 579 | 35 | None | - | 1 | Mouse | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 433 | 4 | 1 | 7 | 2.1 | CCn1c(=O)c2c(C)c(sc2n(c1=O)CCC(F)(F)F)C(=O)N1CCC(CC1)O | 10.1016/j.ejmech.2018.11.045 | ||
| 118016229 | 579 | 35 | None | - | 1 | Mouse | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 433 | 4 | 1 | 7 | 2.1 | CCn1c(=O)c2c(C)c(sc2n(c1=O)CCC(F)(F)F)C(=O)N1CCC(CC1)O | 10.1016/j.ejmech.2018.11.045 | ||
| CHEMBL4522981 | 579 | 35 | None | - | 1 | Mouse | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 433 | 4 | 1 | 7 | 2.1 | CCn1c(=O)c2c(C)c(sc2n(c1=O)CCC(F)(F)F)C(=O)N1CCC(CC1)O | 10.1016/j.ejmech.2018.11.045 | ||
| 1922 | 202795 | 44 | None | -26 | 6 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 256 | 1 | 1 | 5 | 0.6 | Cn1c(=O)c2nc(-c3ccccc3)[nH]c2n(C)c1=O | 10.1021/jm990499b | ||
| CHEMBL62350 | 202795 | 44 | None | -26 | 6 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 256 | 1 | 1 | 5 | 0.6 | Cn1c(=O)c2nc(-c3ccccc3)[nH]c2n(C)c1=O | 10.1021/jm990499b | ||
| 155520492 | 170458 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 443 | 9 | 0 | 7 | 2.9 | CCN(CC)C(=O)c1sc2c(c1C)c(=O)n(CCc1ccccc1)c(=O)n2CCOC | 10.1016/j.ejmech.2018.11.045 | ||
| CHEMBL4449139 | 170458 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 443 | 9 | 0 | 7 | 2.9 | CCN(CC)C(=O)c1sc2c(c1C)c(=O)n(CCc1ccccc1)c(=O)n2CCOC | 10.1016/j.ejmech.2018.11.045 | ||
| 71601632 | 86895 | 0 | None | - | 2 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 301 | 3 | 1 | 5 | 3.0 | Nc1nc(Cc2ccccc2)nc2cn(-c3ccccc3)nc12 | 10.1021/jm400068e | ||
| CHEMBL2322918 | 86895 | 0 | None | - | 2 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 301 | 3 | 1 | 5 | 3.0 | Nc1nc(Cc2ccccc2)nc2cn(-c3ccccc3)nc12 | 10.1021/jm400068e | ||
| 44413136 | 79238 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 507 | 6 | 2 | 7 | 2.2 | Cn1c(=O)c2[nH]c(-c3ccc(S(=O)(=O)NC4CCN(Cc5ccccc5)CC4)cc3)cc2n(C)c1=O | 10.1016/j.bmcl.2006.04.074 | ||
| CHEMBL211347 | 79238 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 507 | 6 | 2 | 7 | 2.2 | Cn1c(=O)c2[nH]c(-c3ccc(S(=O)(=O)NC4CCN(Cc5ccccc5)CC4)cc3)cc2n(C)c1=O | 10.1016/j.bmcl.2006.04.074 | ||
| 155518555 | 170270 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 387 | 7 | 1 | 7 | 1.5 | COCCn1c(=O)n(CCc2ccccc2)c(=O)c2c(C)c(C(N)=O)sc21 | 10.1016/j.ejmech.2018.11.045 | ||
| CHEMBL4446433 | 170270 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 387 | 7 | 1 | 7 | 1.5 | COCCn1c(=O)n(CCc2ccccc2)c(=O)c2c(C)c(C(N)=O)sc21 | 10.1016/j.ejmech.2018.11.045 | ||
| 155537687 | 172307 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 380 | 6 | 0 | 6 | 3.0 | COCCn1c(=O)n(CC(F)(F)c2ccccc2)c(=O)c2c(C)csc21 | 10.1016/j.ejmech.2018.11.045 | ||
| CHEMBL4475483 | 172307 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 380 | 6 | 0 | 6 | 3.0 | COCCn1c(=O)n(CC(F)(F)c2ccccc2)c(=O)c2c(C)csc21 | 10.1016/j.ejmech.2018.11.045 | ||
| 155560676 | 175091 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 282 | 4 | 0 | 6 | 1.5 | CCn1c(=O)c2c(C)c(C)sc2n(CCOC)c1=O | 10.1016/j.ejmech.2018.11.045 | ||
| CHEMBL4569387 | 175091 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 282 | 4 | 0 | 6 | 1.5 | CCn1c(=O)c2c(C)c(C)sc2n(CCOC)c1=O | 10.1016/j.ejmech.2018.11.045 | ||
| 71601631 | 86894 | 0 | None | - | 2 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 287 | 2 | 1 | 5 | 3.1 | Nc1nc(-c2ccccc2)nc2cn(-c3ccccc3)nc12 | 10.1021/jm400068e | ||
| CHEMBL2322917 | 86894 | 0 | None | - | 2 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 287 | 2 | 1 | 5 | 3.1 | Nc1nc(-c2ccccc2)nc2cn(-c3ccccc3)nc12 | 10.1021/jm400068e | ||
| 155512463 | 169611 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 330 | 6 | 0 | 6 | 2.1 | COCCn1c(=O)n(CCc2ccccc2)c(=O)c2ccsc21 | 10.1016/j.ejmech.2018.11.045 | ||
| CHEMBL4437132 | 169611 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 330 | 6 | 0 | 6 | 2.1 | COCCn1c(=O)n(CCc2ccccc2)c(=O)c2ccsc21 | 10.1016/j.ejmech.2018.11.045 | ||
| 59351824 | 174002 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 286 | 3 | 1 | 4 | 2.3 | Cc1csc2[nH]c(=O)n(CCc3ccccc3)c(=O)c12 | 10.1016/j.ejmech.2018.11.045 | ||
| CHEMBL4543255 | 174002 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 286 | 3 | 1 | 4 | 2.3 | Cc1csc2[nH]c(=O)n(CCc3ccccc3)c(=O)c12 | 10.1016/j.ejmech.2018.11.045 | ||
| 155537810 | 172304 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 384 | 6 | 0 | 6 | 3.0 | COCCn1c(=O)n(CCc2ccccc2)c(=O)c2c3c(sc21)CCCC3 | 10.1016/j.ejmech.2018.11.045 | ||
| CHEMBL4475461 | 172304 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 384 | 6 | 0 | 6 | 3.0 | COCCn1c(=O)n(CCc2ccccc2)c(=O)c2c3c(sc21)CCCC3 | 10.1016/j.ejmech.2018.11.045 | ||
| 155520204 | 170443 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 420 | 7 | 0 | 6 | 4.1 | COCCn1c(=O)n(CCc2ccccc2)c(=O)c2c(C)c(-c3ccccc3)sc21 | 10.1016/j.ejmech.2018.11.045 | ||
| CHEMBL4448896 | 170443 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 420 | 7 | 0 | 6 | 4.1 | COCCn1c(=O)n(CCc2ccccc2)c(=O)c2c(C)c(-c3ccccc3)sc21 | 10.1016/j.ejmech.2018.11.045 | ||
| 155559377 | 174824 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 316 | 5 | 0 | 6 | 2.0 | COCCn1c(=O)n(CC=C(F)F)c(=O)c2c(C)csc21 | 10.1016/j.ejmech.2018.11.045 | ||
| CHEMBL4562969 | 174824 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 316 | 5 | 0 | 6 | 2.0 | COCCn1c(=O)n(CC=C(F)F)c(=O)c2c(C)csc21 | 10.1016/j.ejmech.2018.11.045 | ||
| 11796362 | 115075 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 419 | 7 | 1 | 7 | 2.9 | COc1cccc(N2CCN(CCOC(=O)c3cc(Cl)c(N)cc3OC)CC2)c1 | 10.1039/C1MD00213A | ||
| CHEMBL334325 | 115075 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 419 | 7 | 1 | 7 | 2.9 | COc1cccc(N2CCN(CCOC(=O)c3cc(Cl)c(N)cc3OC)CC2)c1 | 10.1039/C1MD00213A | ||
| 155529645 | 171404 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 421 | 7 | 1 | 7 | 2.0 | CCN(CCO)C(=O)c1sc2c(c1C)c(=O)n(CC)c(=O)n2CCC(F)(F)F | 10.1016/j.ejmech.2018.11.045 | ||
| CHEMBL4462879 | 171404 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 421 | 7 | 1 | 7 | 2.0 | CCN(CCO)C(=O)c1sc2c(c1C)c(=O)n(CC)c(=O)n2CCC(F)(F)F | 10.1016/j.ejmech.2018.11.045 | ||
| 155521508 | 170680 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 370 | 5 | 0 | 6 | 3.0 | Cc1csc2c1c(=O)n(CCc1ccccc1)c(=O)n2CC1CCCO1 | 10.1016/j.ejmech.2018.11.045 | ||
| CHEMBL4451942 | 170680 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 370 | 5 | 0 | 6 | 3.0 | Cc1csc2c1c(=O)n(CCc1ccccc1)c(=O)n2CC1CCCO1 | 10.1016/j.ejmech.2018.11.045 | ||
| 155551418 | 173939 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 434 | 8 | 0 | 6 | 4.0 | COCCn1c(=O)n(CCc2ccccc2)c(=O)c2c(C)c(Cc3ccccc3)sc21 | 10.1016/j.ejmech.2018.11.045 | ||
| CHEMBL4541543 | 173939 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 434 | 8 | 0 | 6 | 4.0 | COCCn1c(=O)n(CCc2ccccc2)c(=O)c2c(C)c(Cc3ccccc3)sc21 | 10.1016/j.ejmech.2018.11.045 | ||
| 155569093 | 175979 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 383 | 5 | 0 | 6 | 3.1 | Cc1csc2c1c(=O)n(CCc1cccnc1)c(=O)n2CCC(F)(F)F | 10.1016/j.ejmech.2018.11.045 | ||
| CHEMBL4589448 | 175979 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 383 | 5 | 0 | 6 | 3.1 | Cc1csc2c1c(=O)n(CCc1cccnc1)c(=O)n2CCC(F)(F)F | 10.1016/j.ejmech.2018.11.045 | ||
| 155537122 | 172241 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 382 | 5 | 0 | 5 | 3.7 | Cc1csc2c1c(=O)n(CCc1ccccc1)c(=O)n2CCC(F)(F)F | 10.1016/j.ejmech.2018.11.045 | ||
| CHEMBL4474572 | 172241 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 382 | 5 | 0 | 5 | 3.7 | Cc1csc2c1c(=O)n(CCc1ccccc1)c(=O)n2CCC(F)(F)F | 10.1016/j.ejmech.2018.11.045 | ||
| 10550242 | 17225 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 423 | 6 | 1 | 6 | 3.6 | COc1cc(N)c(Cl)cc1C(=O)OCCN1CCN(c2ccccc2Cl)CC1 | 10.1039/C1MD00213A | ||
| CHEMBL125670 | 17225 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 423 | 6 | 1 | 6 | 3.6 | COc1cc(N)c(Cl)cc1C(=O)OCCN1CCN(c2ccccc2Cl)CC1 | 10.1039/C1MD00213A | ||
| 11224 | 579 | 35 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 433 | 4 | 1 | 7 | 2.1 | CCn1c(=O)c2c(C)c(sc2n(c1=O)CCC(F)(F)F)C(=O)N1CCC(CC1)O | 10.1016/j.ejmech.2018.11.045 | ||
| 118016229 | 579 | 35 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 433 | 4 | 1 | 7 | 2.1 | CCn1c(=O)c2c(C)c(sc2n(c1=O)CCC(F)(F)F)C(=O)N1CCC(CC1)O | 10.1016/j.ejmech.2018.11.045 | ||
| CHEMBL4522981 | 579 | 35 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 433 | 4 | 1 | 7 | 2.1 | CCn1c(=O)c2c(C)c(sc2n(c1=O)CCC(F)(F)F)C(=O)N1CCC(CC1)O | 10.1016/j.ejmech.2018.11.045 | ||
| 44413154 | 77976 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 479 | 4 | 1 | 7 | 1.7 | Cn1c(=O)c2[nH]c(-c3ccc(S(=O)(=O)N4CCN(c5ccccc5)CC4)cc3)cc2n(C)c1=O | 10.1016/j.bmcl.2006.04.074 | ||
| CHEMBL209742 | 77976 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 479 | 4 | 1 | 7 | 1.7 | Cn1c(=O)c2[nH]c(-c3ccc(S(=O)(=O)N4CCN(c5ccccc5)CC4)cc3)cc2n(C)c1=O | 10.1016/j.bmcl.2006.04.074 | ||
| 44413106 | 79873 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 546 | 7 | 1 | 8 | 2.5 | CCCn1c(=O)c2[nH]c(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc(C#N)cc5)CC4)cc3)cc2n(C)c1=O | 10.1016/j.bmcl.2006.04.074 | ||
| CHEMBL212416 | 79873 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 546 | 7 | 1 | 8 | 2.5 | CCCn1c(=O)c2[nH]c(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc(C#N)cc5)CC4)cc3)cc2n(C)c1=O | 10.1016/j.bmcl.2006.04.074 | ||
| 2690 | 900 | 66 | None | -30 | 9 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 285 | 1 | 1 | 6 | 2.8 | Clc1ccc2c(c1)c1nc(nn1c(n2)N)c1ccco1 | 10.1021/acs.jmedchem.7b01627 | ||
| 384 | 900 | 66 | None | -30 | 9 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 285 | 1 | 1 | 6 | 2.8 | Clc1ccc2c(c1)c1nc(nn1c(n2)N)c1ccco1 | 10.1021/acs.jmedchem.7b01627 | ||
| CHEMBL16687 | 900 | 66 | None | -30 | 9 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 285 | 1 | 1 | 6 | 2.8 | Clc1ccc2c(c1)c1nc(nn1c(n2)N)c1ccco1 | 10.1021/acs.jmedchem.7b01627 | ||
| 122574669 | 175808 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 268 | 4 | 0 | 6 | 1.2 | CCn1c(=O)c2c(C)csc2n(CCOC)c1=O | 10.1016/j.ejmech.2018.11.045 | ||
| CHEMBL4585015 | 175808 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 268 | 4 | 0 | 6 | 1.2 | CCn1c(=O)c2c(C)csc2n(CCOC)c1=O | 10.1016/j.ejmech.2018.11.045 | ||
| 10645103 | 164317 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 407 | 6 | 1 | 6 | 3.0 | COc1cc(N)c(Cl)cc1C(=O)OCCN1CCN(c2ccccc2F)CC1 | 10.1039/C1MD00213A | ||
| CHEMBL421256 | 164317 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 407 | 6 | 1 | 6 | 3.0 | COc1cc(N)c(Cl)cc1C(=O)OCCN1CCN(c2ccccc2F)CC1 | 10.1039/C1MD00213A | ||
| 11224 | 579 | 35 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 433 | 4 | 1 | 7 | 2.1 | CCn1c(=O)c2c(C)c(sc2n(c1=O)CCC(F)(F)F)C(=O)N1CCC(CC1)O | 10.1016/j.ejmech.2018.11.045 | ||
| 118016229 | 579 | 35 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 433 | 4 | 1 | 7 | 2.1 | CCn1c(=O)c2c(C)c(sc2n(c1=O)CCC(F)(F)F)C(=O)N1CCC(CC1)O | 10.1016/j.ejmech.2018.11.045 | ||
| CHEMBL4522981 | 579 | 35 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 433 | 4 | 1 | 7 | 2.1 | CCn1c(=O)c2c(C)c(sc2n(c1=O)CCC(F)(F)F)C(=O)N1CCC(CC1)O | 10.1016/j.ejmech.2018.11.045 | ||
| 10193 | 2988 | 40 | None | -46 | 4 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 305 | 2 | 1 | 7 | 1.2 | Nc1nc(nc(c1Br)n1cccn1)n1cccn1 | nan | ||
| 53466958 | 2988 | 40 | None | -46 | 4 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 305 | 2 | 1 | 7 | 1.2 | Nc1nc(nc(c1Br)n1cccn1)n1cccn1 | nan | ||
| CHEMBL3638684 | 2988 | 40 | None | -46 | 4 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 305 | 2 | 1 | 7 | 1.2 | Nc1nc(nc(c1Br)n1cccn1)n1cccn1 | nan | ||
| CHEMBL3694769 | 2988 | 40 | None | -46 | 4 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 305 | 2 | 1 | 7 | 1.2 | Nc1nc(nc(c1Br)n1cccn1)n1cccn1 | nan | ||
| 44413125 | 78048 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 529 | 5 | 1 | 7 | 2.0 | Cn1c(=O)c2[nH]c(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc(F)cc5F)CC4)cc3)cc2n(C)c1=O | 10.1016/j.bmcl.2006.04.074 | ||
| CHEMBL210088 | 78048 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 529 | 5 | 1 | 7 | 2.0 | Cn1c(=O)c2[nH]c(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc(F)cc5F)CC4)cc3)cc2n(C)c1=O | 10.1016/j.bmcl.2006.04.074 | ||
| 10196060 | 78120 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 511 | 5 | 1 | 7 | 1.9 | Cn1c(=O)c2[nH]c(-c3ccc(S(=O)(=O)N4CCN(Cc5cccc(F)c5)CC4)cc3)cc2n(C)c1=O | 10.1016/j.bmcl.2006.04.074 | ||
| CHEMBL210383 | 78120 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 511 | 5 | 1 | 7 | 1.9 | Cn1c(=O)c2[nH]c(-c3ccc(S(=O)(=O)N4CCN(Cc5cccc(F)c5)CC4)cc3)cc2n(C)c1=O | 10.1016/j.bmcl.2006.04.074 | ||
| 155259564 | 185195 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 339 | 5 | 3 | 9 | 1.2 | Nc1nc(NCCc2ccc(O)cc2)nc2nc(C3=CCCO3)nn12 | nan | ||
| CHEMBL4857871 | 185195 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 339 | 5 | 3 | 9 | 1.2 | Nc1nc(NCCc2ccc(O)cc2)nc2nc(C3=CCCO3)nn12 | nan | ||
| 155559834 | 174896 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 400 | 5 | 0 | 5 | 3.9 | Cc1csc2c1c(=O)n(CCc1ccccc1F)c(=O)n2CCC(F)(F)F | 10.1016/j.ejmech.2018.11.045 | ||
| CHEMBL4564912 | 174896 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 400 | 5 | 0 | 5 | 3.9 | Cc1csc2c1c(=O)n(CCc1ccccc1F)c(=O)n2CCC(F)(F)F | 10.1016/j.ejmech.2018.11.045 | ||
| 10621961 | 208057 | 0 | None | - | 3 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 418 | 4 | 2 | 7 | 4.0 | Nc1ccc(CC(=O)Nc2nc3ccc(Cl)cc3c3nc(-c4ccco4)nn23)cc1 | 10.1021/jm980094b | ||
| CHEMBL97748 | 208057 | 0 | None | - | 3 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 418 | 4 | 2 | 7 | 4.0 | Nc1ccc(CC(=O)Nc2nc3ccc(Cl)cc3c3nc(-c4ccco4)nn23)cc1 | 10.1021/jm980094b | ||
| 44413096 | 138945 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 467 | 8 | 2 | 7 | 2.1 | CCn1c(=O)c2[nH]c(-c3ccc(S(=O)(=O)NCCc4ccccn4)cc3)cc2n(CC)c1=O | 10.1016/j.bmcl.2006.04.074 | ||
| CHEMBL378527 | 138945 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 467 | 8 | 2 | 7 | 2.1 | CCn1c(=O)c2[nH]c(-c3ccc(S(=O)(=O)NCCc4ccccn4)cc3)cc2n(CC)c1=O | 10.1016/j.bmcl.2006.04.074 | ||
| 155552481 | 174033 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 443 | 8 | 0 | 8 | 2.3 | COCCn1c(=O)n(CCc2ccccc2)c(=O)c2c(C)c(CN3CCOCC3)sc21 | 10.1016/j.ejmech.2018.11.045 | ||
| CHEMBL4544040 | 174033 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 443 | 8 | 0 | 8 | 2.3 | COCCn1c(=O)n(CCc2ccccc2)c(=O)c2c(C)c(CN3CCOCC3)sc21 | 10.1016/j.ejmech.2018.11.045 | ||
| 155541183 | 172988 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 412 | 8 | 0 | 7 | 3.0 | COCCn1c(=O)n(CCc2ccccc2)c(=O)c2c(C)c(C(=O)C3CC3)sc21 | 10.1016/j.ejmech.2018.11.045 | ||
| CHEMBL4518356 | 172988 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 412 | 8 | 0 | 7 | 3.0 | COCCn1c(=O)n(CCc2ccccc2)c(=O)c2c(C)c(C(=O)C3CC3)sc21 | 10.1016/j.ejmech.2018.11.045 | ||
| 155553932 | 175426 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 438 | 8 | 1 | 7 | 3.0 | COCCn1c(=O)n(CCc2ccccc2)c(=O)c2c(C)c(Cc3c[nH]c(C)n3)sc21 | 10.1016/j.ejmech.2018.11.045 | ||
| CHEMBL4576817 | 175426 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 438 | 8 | 1 | 7 | 3.0 | COCCn1c(=O)n(CCc2ccccc2)c(=O)c2c(C)c(Cc3c[nH]c(C)n3)sc21 | 10.1016/j.ejmech.2018.11.045 | ||
| 57429602 | 157215 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 500 | 7 | 1 | 8 | 3.5 | CCCn1c(=O)c2[nH]c(-c3cnn(CC#Cc4cccc(OC(F)(F)F)c4)c3)nc2n(CCC)c1=O | 10.1016/j.ejmech.2017.04.014 | ||
| CHEMBL4076435 | 157215 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 500 | 7 | 1 | 8 | 3.5 | CCCn1c(=O)c2[nH]c(-c3cnn(CC#Cc4cccc(OC(F)(F)F)c4)c3)nc2n(CCC)c1=O | 10.1016/j.ejmech.2017.04.014 | ||
| 44413142 | 78182 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 521 | 6 | 1 | 7 | 2.5 | CN(C1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1ccc(-c2cc3c([nH]2)c(=O)n(C)c(=O)n3C)cc1 | 10.1016/j.bmcl.2006.04.074 | ||
| CHEMBL210560 | 78182 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 521 | 6 | 1 | 7 | 2.5 | CN(C1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1ccc(-c2cc3c([nH]2)c(=O)n(C)c(=O)n3C)cc1 | 10.1016/j.bmcl.2006.04.074 | ||
| 176407 | 4117 | 84 | None | -34 | 6 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 337 | 5 | 3 | 9 | 1.7 | Oc1ccc(cc1)CCNc1nc(N)n2c(n1)nc(n2)c1ccco1 | 10.1021/acs.jmedchem.7b01627 | ||
| 405 | 4117 | 84 | None | -34 | 6 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 337 | 5 | 3 | 9 | 1.7 | Oc1ccc(cc1)CCNc1nc(N)n2c(n1)nc(n2)c1ccco1 | 10.1021/acs.jmedchem.7b01627 | ||
| CHEMBL113142 | 4117 | 84 | None | -34 | 6 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 337 | 5 | 3 | 9 | 1.7 | Oc1ccc(cc1)CCNc1nc(N)n2c(n1)nc(n2)c1ccco1 | 10.1021/acs.jmedchem.7b01627 | ||
| DB08770 | 4117 | 84 | None | -34 | 6 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 337 | 5 | 3 | 9 | 1.7 | Oc1ccc(cc1)CCNc1nc(N)n2c(n1)nc(n2)c1ccco1 | 10.1021/acs.jmedchem.7b01627 | ||
| 135515408 | 117048 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 310 | 4 | 1 | 5 | 3.1 | CCCCc1nc2[nH]ncc2c2nc(-c3ccc(F)cc3)nn12 | 10.1016/j.bmcl.2004.04.099 | ||
| CHEMBL339218 | 117048 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 310 | 4 | 1 | 5 | 3.1 | CCCCc1nc2[nH]ncc2c2nc(-c3ccc(F)cc3)nn12 | 10.1016/j.bmcl.2004.04.099 | ||
| 155540197 | 172878 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 370 | 6 | 0 | 6 | 2.6 | COCCn1c(=O)n(CCc2ccccc2)c(=O)c2c3c(sc21)CCC3 | 10.1016/j.ejmech.2018.11.045 | ||
| CHEMBL4516075 | 172878 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 370 | 6 | 0 | 6 | 2.6 | COCCn1c(=O)n(CCc2ccccc2)c(=O)c2c3c(sc21)CCC3 | 10.1016/j.ejmech.2018.11.045 | ||
| 155549654 | 173882 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 435 | 8 | 0 | 7 | 2.6 | CCN(CC)C(=O)c1sc2c(c1C)c(=O)n(CCOC)c(=O)n2CCC(F)(F)F | 10.1016/j.ejmech.2018.11.045 | ||
| CHEMBL4540250 | 173882 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 435 | 8 | 0 | 7 | 2.6 | CCN(CC)C(=O)c1sc2c(c1C)c(=O)n(CCOC)c(=O)n2CCC(F)(F)F | 10.1016/j.ejmech.2018.11.045 | ||
| 450 | 2949 | 9 | None | 257 | 4 | Human | 9.8 | pKd | = | 9.8 | Binding | ChEMBL | 525 | 10 | 3 | 6 | 3.6 | CC(=O)NCCNc1nc(nc2c1cc([nH]2)C(=O)N1CCN(CC1)CCCc1ccccc1)c1ccccc1 | 10.1021/jm900413e | ||
| 454 | 2949 | 9 | None | 257 | 4 | Human | 9.8 | pKd | = | 9.8 | Binding | ChEMBL | 525 | 10 | 3 | 6 | 3.6 | CC(=O)NCCNc1nc(nc2c1cc([nH]2)C(=O)N1CCN(CC1)CCCc1ccccc1)c1ccccc1 | 10.1021/jm900413e | ||
| 5311041 | 2949 | 9 | None | 257 | 4 | Human | 9.8 | pKd | = | 9.8 | Binding | ChEMBL | 525 | 10 | 3 | 6 | 3.6 | CC(=O)NCCNc1nc(nc2c1cc([nH]2)C(=O)N1CCN(CC1)CCCc1ccccc1)c1ccccc1 | 10.1021/jm900413e | ||
| CHEMBL485862 | 2949 | 9 | None | 257 | 4 | Human | 9.8 | pKd | = | 9.8 | Binding | ChEMBL | 525 | 10 | 3 | 6 | 3.6 | CC(=O)NCCNc1nc(nc2c1cc([nH]2)C(=O)N1CCN(CC1)CCCc1ccccc1)c1ccccc1 | 10.1021/jm900413e | ||
| 3284 | 3194 | 35 | None | 1 | 7 | Mouse | 9.5 | pKd | = | 9.5 | Binding | ChEMBL | 528 | 6 | 2 | 7 | 2.7 | CCCn1c(=O)[nH]c2c(c1=O)[nH]c(n2)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)Cl | 10.1021/jm900413e | ||
| 44185871 | 3194 | 35 | None | 1 | 7 | Mouse | 9.5 | pKd | = | 9.5 | Binding | ChEMBL | 528 | 6 | 2 | 7 | 2.7 | CCCn1c(=O)[nH]c2c(c1=O)[nH]c(n2)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)Cl | 10.1021/jm900413e | ||
| 5728 | 3194 | 35 | None | 1 | 7 | Mouse | 9.5 | pKd | = | 9.5 | Binding | ChEMBL | 528 | 6 | 2 | 7 | 2.7 | CCCn1c(=O)[nH]c2c(c1=O)[nH]c(n2)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)Cl | 10.1021/jm900413e | ||
| CHEMBL483688 | 3194 | 35 | None | 1 | 7 | Mouse | 9.5 | pKd | = | 9.5 | Binding | ChEMBL | 528 | 6 | 2 | 7 | 2.7 | CCCn1c(=O)[nH]c2c(c1=O)[nH]c(n2)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)Cl | 10.1021/jm900413e | ||
| 3284 | 3194 | 35 | None | -1 | 7 | Human | 9.4 | pKd | = | 9.4 | Binding | ChEMBL | 528 | 6 | 2 | 7 | 2.7 | CCCn1c(=O)[nH]c2c(c1=O)[nH]c(n2)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)Cl | 10.1021/jm900413e | ||
| 44185871 | 3194 | 35 | None | -1 | 7 | Human | 9.4 | pKd | = | 9.4 | Binding | ChEMBL | 528 | 6 | 2 | 7 | 2.7 | CCCn1c(=O)[nH]c2c(c1=O)[nH]c(n2)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)Cl | 10.1021/jm900413e | ||
| 5728 | 3194 | 35 | None | -1 | 7 | Human | 9.4 | pKd | = | 9.4 | Binding | ChEMBL | 528 | 6 | 2 | 7 | 2.7 | CCCn1c(=O)[nH]c2c(c1=O)[nH]c(n2)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)Cl | 10.1021/jm900413e | ||
| CHEMBL483688 | 3194 | 35 | None | -1 | 7 | Human | 9.4 | pKd | = | 9.4 | Binding | ChEMBL | 528 | 6 | 2 | 7 | 2.7 | CCCn1c(=O)[nH]c2c(c1=O)[nH]c(n2)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)Cl | 10.1021/jm900413e | ||
| 3284 | 3194 | 35 | None | -1 | 7 | Human | 9.2 | pKd | = | 9.2 | Binding | ChEMBL | 528 | 6 | 2 | 7 | 2.7 | CCCn1c(=O)[nH]c2c(c1=O)[nH]c(n2)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)Cl | 10.1021/jm900413e | ||
| 44185871 | 3194 | 35 | None | -1 | 7 | Human | 9.2 | pKd | = | 9.2 | Binding | ChEMBL | 528 | 6 | 2 | 7 | 2.7 | CCCn1c(=O)[nH]c2c(c1=O)[nH]c(n2)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)Cl | 10.1021/jm900413e | ||
| 5728 | 3194 | 35 | None | -1 | 7 | Human | 9.2 | pKd | = | 9.2 | Binding | ChEMBL | 528 | 6 | 2 | 7 | 2.7 | CCCn1c(=O)[nH]c2c(c1=O)[nH]c(n2)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)Cl | 10.1021/jm900413e | ||
| CHEMBL483688 | 3194 | 35 | None | -1 | 7 | Human | 9.2 | pKd | = | 9.2 | Binding | ChEMBL | 528 | 6 | 2 | 7 | 2.7 | CCCn1c(=O)[nH]c2c(c1=O)[nH]c(n2)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)Cl | 10.1021/jm900413e | ||
| 449 | 2625 | 52 | None | -1 | 9 | Human | 9.0 | pKd | = | 9.0 | Binding | ChEMBL | 486 | 9 | 2 | 8 | 3.3 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)C#N | 10.1021/jm900413e | ||
| 453 | 2625 | 52 | None | -1 | 9 | Human | 9.0 | pKd | = | 9.0 | Binding | ChEMBL | 486 | 9 | 2 | 8 | 3.3 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)C#N | 10.1021/jm900413e | ||
| 6603931 | 2625 | 52 | None | -1 | 9 | Human | 9.0 | pKd | = | 9.0 | Binding | ChEMBL | 486 | 9 | 2 | 8 | 3.3 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)C#N | 10.1021/jm900413e | ||
| CHEMBL273807 | 2625 | 52 | None | -1 | 9 | Human | 9.0 | pKd | = | 9.0 | Binding | ChEMBL | 486 | 9 | 2 | 8 | 3.3 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)C#N | 10.1021/jm900413e | ||
| 135484064 | 2598 | 4 | None | 21 | 4 | Human | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 509 | 9 | 2 | 11 | 1.9 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1cc(nn1C)OCC(=O)Nc1ccc2c(c1)OCO2 | 10.1016/j.bmcl.2004.03.110 | ||
| 390 | 2598 | 4 | None | 21 | 4 | Human | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 509 | 9 | 2 | 11 | 1.9 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1cc(nn1C)OCC(=O)Nc1ccc2c(c1)OCO2 | 10.1016/j.bmcl.2004.03.110 | ||
| CHEMBL260331 | 2598 | 4 | None | 21 | 4 | Human | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 509 | 9 | 2 | 11 | 1.9 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1cc(nn1C)OCC(=O)Nc1ccc2c(c1)OCO2 | 10.1016/j.bmcl.2004.03.110 | ||
| 135484064 | 2598 | 4 | None | 21 | 4 | Human | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 509 | 9 | 2 | 11 | 1.9 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1cc(nn1C)OCC(=O)Nc1ccc2c(c1)OCO2 | 10.1021/jm900413e | ||
| 390 | 2598 | 4 | None | 21 | 4 | Human | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 509 | 9 | 2 | 11 | 1.9 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1cc(nn1C)OCC(=O)Nc1ccc2c(c1)OCO2 | 10.1021/jm900413e | ||
| CHEMBL260331 | 2598 | 4 | None | 21 | 4 | Human | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 509 | 9 | 2 | 11 | 1.9 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1cc(nn1C)OCC(=O)Nc1ccc2c(c1)OCO2 | 10.1021/jm900413e | ||
| 2690 | 900 | 66 | None | -30 | 9 | Human | 8.0 | pKd | = | 8 | Binding | ChEMBL | 285 | 1 | 1 | 6 | 2.8 | Clc1ccc2c(c1)c1nc(nn1c(n2)N)c1ccco1 | 10.1021/jm980094b | ||
| 384 | 900 | 66 | None | -30 | 9 | Human | 8.0 | pKd | = | 8 | Binding | ChEMBL | 285 | 1 | 1 | 6 | 2.8 | Clc1ccc2c(c1)c1nc(nn1c(n2)N)c1ccco1 | 10.1021/jm980094b | ||
| CHEMBL16687 | 900 | 66 | None | -30 | 9 | Human | 8.0 | pKd | = | 8 | Binding | ChEMBL | 285 | 1 | 1 | 6 | 2.8 | Clc1ccc2c(c1)c1nc(nn1c(n2)N)c1ccco1 | 10.1021/jm980094b | ||
| 10339165 | 207721 | 0 | None | -2 | 4 | Human | 8.0 | pKd | = | 8 | Binding | ChEMBL | 370 | 5 | 2 | 7 | 2.9 | NCCCC(=O)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12 | 10.1021/jm980094b | ||
| CHEMBL95811 | 207721 | 0 | None | -2 | 4 | Human | 8.0 | pKd | = | 8 | Binding | ChEMBL | 370 | 5 | 2 | 7 | 2.9 | NCCCC(=O)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12 | 10.1021/jm980094b | ||
| 7064 | 116688 | 98 | None | -70 | 4 | Human | 4.0 | pKd | = | 4.0 | Binding | ChEMBL | 187 | 1 | 2 | 5 | 0.7 | Nc1nc(N)nc(-c2ccccc2)n1 | 10.1021/acsmedchemlett.2c00099 | ||
| CHEMBL337319 | 116688 | 98 | None | -70 | 4 | Human | 4.0 | pKd | = | 4.0 | Binding | ChEMBL | 187 | 1 | 2 | 5 | 0.7 | Nc1nc(N)nc(-c2ccccc2)n1 | 10.1021/acsmedchemlett.2c00099 | ||
| 554203 | 191415 | 75 | None | -1 | 4 | Human | 4.0 | pKd | = | 4.0 | Binding | ChEMBL | 177 | 1 | 1 | 4 | 1.8 | Nc1nsc(-c2ccccc2)n1 | 10.1021/acsmedchemlett.2c00099 | ||
| CHEMBL5193006 | 191415 | 75 | None | -1 | 4 | Human | 4.0 | pKd | = | 4.0 | Binding | ChEMBL | 177 | 1 | 1 | 4 | 1.8 | Nc1nsc(-c2ccccc2)n1 | 10.1021/acsmedchemlett.2c00099 | ||
| 2727447 | 150413 | 7 | None | -109 | 4 | Human | 3.9 | pKd | = | 3.9 | Binding | ChEMBL | 211 | 1 | 1 | 5 | 1.4 | Nc1ccc2nnc(-c3ccccc3)n2n1 | 10.1021/acsmedchemlett.2c00099 | ||
| CHEMBL3954022 | 150413 | 7 | None | -109 | 4 | Human | 3.9 | pKd | = | 3.9 | Binding | ChEMBL | 211 | 1 | 1 | 5 | 1.4 | Nc1ccc2nnc(-c3ccccc3)n2n1 | 10.1021/acsmedchemlett.2c00099 | ||
| CHEMBL4550896 | 213977 | 5 | None | -3 | 4 | Human | 3.9 | pKd | = | 3.9 | Binding | ChEMBL | None | None | None | O=C(Nc1ccc2ccccc2n1)c1ccco1 | 10.1021/acsmedchemlett.2c00099 | ||||
| 2774349 | 33105 | 39 | None | -1 | 4 | Human | 3.9 | pKd | = | 3.9 | Binding | ChEMBL | 202 | 2 | 1 | 4 | 0.7 | Cc1nn(-c2ccccc2)nc1C(N)=O | 10.1021/acsmedchemlett.2c00099 | ||
| CHEMBL1417210 | 33105 | 39 | None | -1 | 4 | Human | 3.9 | pKd | = | 3.9 | Binding | ChEMBL | 202 | 2 | 1 | 4 | 0.7 | Cc1nn(-c2ccccc2)nc1C(N)=O | 10.1021/acsmedchemlett.2c00099 | ||
| 344385 | 192185 | 49 | None | -7 | 4 | Human | 3.8 | pKd | = | 3.8 | Binding | ChEMBL | 176 | 0 | 1 | 3 | 0.2 | Cn1c(=O)[nH]c2ccccc2c1=O | 10.1021/acsmedchemlett.2c00099 | ||
| CHEMBL5204663 | 192185 | 49 | None | -7 | 4 | Human | 3.8 | pKd | = | 3.8 | Binding | ChEMBL | 176 | 0 | 1 | 3 | 0.2 | Cn1c(=O)[nH]c2ccccc2c1=O | 10.1021/acsmedchemlett.2c00099 | ||
| 2747546 | 192390 | 12 | None | -2 | 4 | Human | 4.7 | pKd | = | 4.7 | Binding | ChEMBL | 309 | 3 | 1 | 3 | 3.0 | CS(=O)(=O)c1ccc(C(=O)Nc2cccc(Cl)c2)cc1 | 10.1021/acsmedchemlett.2c00099 | ||
| CHEMBL5208068 | 192390 | 12 | None | -2 | 4 | Human | 4.7 | pKd | = | 4.7 | Binding | ChEMBL | 309 | 3 | 1 | 3 | 3.0 | CS(=O)(=O)c1ccc(C(=O)Nc2cccc(Cl)c2)cc1 | 10.1021/acsmedchemlett.2c00099 | ||
| 16362023 | 191420 | 4 | None | -3 | 4 | Human | 3.7 | pKd | = | 3.7 | Binding | ChEMBL | 229 | 3 | 2 | 2 | 2.2 | CC(C)NC(=O)c1cc(-c2ccccc2)[nH]n1 | 10.1021/acsmedchemlett.2c00099 | ||
| CHEMBL5193059 | 191420 | 4 | None | -3 | 4 | Human | 3.7 | pKd | = | 3.7 | Binding | ChEMBL | 229 | 3 | 2 | 2 | 2.2 | CC(C)NC(=O)c1cc(-c2ccccc2)[nH]n1 | 10.1021/acsmedchemlett.2c00099 | ||
| 2314144 | 50453 | 4 | None | -1 | 4 | Human | 3.7 | pKd | = | 3.7 | Binding | ChEMBL | 251 | 3 | 1 | 4 | 2.3 | O=c1cc(NCc2ccccc2)nc2ccccn12 | 10.1021/acsmedchemlett.2c00099 | ||
| CHEMBL1573515 | 50453 | 4 | None | -1 | 4 | Human | 3.7 | pKd | = | 3.7 | Binding | ChEMBL | 251 | 3 | 1 | 4 | 2.3 | O=c1cc(NCc2ccccc2)nc2ccccn12 | 10.1021/acsmedchemlett.2c00099 | ||
| 2823411 | 191556 | 5 | None | 4 | 4 | Human | 4.7 | pKd | = | 4.7 | Binding | ChEMBL | 253 | 3 | 1 | 4 | 2.2 | O=C(NCc1ccccc1)c1ccc2nonc2c1 | 10.1021/acsmedchemlett.2c00099 | ||
| CHEMBL5195119 | 191556 | 5 | None | 4 | 4 | Human | 4.7 | pKd | = | 4.7 | Binding | ChEMBL | 253 | 3 | 1 | 4 | 2.2 | O=C(NCc1ccccc1)c1ccc2nonc2c1 | 10.1021/acsmedchemlett.2c00099 | ||
| 9857146 | 185164 | 1 | None | 2 | 4 | Human | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | 289 | 2 | 0 | 3 | 4.2 | Fc1ccc(-c2nn3ccccc3c2-c2ccncc2)cc1 | 10.1021/acsmedchemlett.2c00099 | ||
| CHEMBL485745 | 185164 | 1 | None | 2 | 4 | Human | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | 289 | 2 | 0 | 3 | 4.2 | Fc1ccc(-c2nn3ccccc3c2-c2ccncc2)cc1 | 10.1021/acsmedchemlett.2c00099 | ||
| 135543624 | 16277 | 28 | None | -16 | 4 | Human | 5.5 | pKd | = | 5.5 | Binding | ChEMBL | 348 | 4 | 3 | 7 | 2.8 | N#Cc1c(N)nc(SCc2ncc[nH]2)c(C#N)c1-c1ccc(O)cc1 | 10.1021/acsmedchemlett.2c00099 | ||
| CHEMBL122622 | 16277 | 28 | None | -16 | 4 | Human | 5.5 | pKd | = | 5.5 | Binding | ChEMBL | 348 | 4 | 3 | 7 | 2.8 | N#Cc1c(N)nc(SCc2ncc[nH]2)c(C#N)c1-c1ccc(O)cc1 | 10.1021/acsmedchemlett.2c00099 | ||
| 221427 | 35303 | 35 | None | -1 | 4 | Human | 4.4 | pKd | = | 4.4 | Binding | ChEMBL | 213 | 2 | 2 | 2 | 2.7 | O=C(Nc1ccccc1)Nc1ccccn1 | 10.1021/acsmedchemlett.2c00099 | ||
| CHEMBL143703 | 35303 | 35 | None | -1 | 4 | Human | 4.4 | pKd | = | 4.4 | Binding | ChEMBL | 213 | 2 | 2 | 2 | 2.7 | O=C(Nc1ccccc1)Nc1ccccn1 | 10.1021/acsmedchemlett.2c00099 | ||
| 2794757 | 190864 | 46 | None | -2 | 4 | Human | 4.4 | pKd | = | 4.4 | Binding | ChEMBL | 211 | 1 | 1 | 4 | 2.4 | Nc1nsc(-c2ccc(Cl)cc2)n1 | 10.1021/acsmedchemlett.2c00099 | ||
| CHEMBL5184937 | 190864 | 46 | None | -2 | 4 | Human | 4.4 | pKd | = | 4.4 | Binding | ChEMBL | 211 | 1 | 1 | 4 | 2.4 | Nc1nsc(-c2ccc(Cl)cc2)n1 | 10.1021/acsmedchemlett.2c00099 | ||
| CHEMBL5080679 | 214678 | 0 | None | -3 | 4 | Human | 7.3 | pKd | = | 7.3 | Binding | ChEMBL | None | None | None | CCCn1c(=O)c2[nH]c(C34CC5CC(CC(C5)C3)C4)nc2n(CCCNC(=O)c2ccc(C(=O)NCCNC(=O)CCNC(=O)CCCCCNC(=O)COc3ccc(/C=C/C4=[N+]5C(=Cc6ccc(-c7cccs7)n6[B-]5(F)F)C=C4)cc3)cc2)c1=O | 10.1021/acs.jmedchem.0c02067 | ||||
| 44583036 | 186931 | 0 | None | 7 | 5 | Human | 7.2 | pKd | = | 7.2 | Binding | ChEMBL | 400 | 8 | 3 | 7 | 0.6 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NCCO)cc3)cc2n(C)c1=O | 10.1021/jm900413e | ||
| CHEMBL490262 | 186931 | 0 | None | 7 | 5 | Human | 7.2 | pKd | = | 7.2 | Binding | ChEMBL | 400 | 8 | 3 | 7 | 0.6 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NCCO)cc3)cc2n(C)c1=O | 10.1021/jm900413e | ||
| CHEMBL521280 | 186931 | 0 | None | 7 | 5 | Human | 7.2 | pKd | = | 7.2 | Binding | ChEMBL | 400 | 8 | 3 | 7 | 0.6 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NCCO)cc3)cc2n(C)c1=O | 10.1021/jm900413e | ||
| 28561 | 181348 | 76 | None | -1 | 4 | Human | 4.2 | pKd | = | 4.2 | Binding | ChEMBL | 177 | 1 | 1 | 4 | 1.8 | Nc1nc(-c2ccccc2)ns1 | 10.1021/acsmedchemlett.2c00099 | ||
| CHEMBL47633 | 181348 | 76 | None | -1 | 4 | Human | 4.2 | pKd | = | 4.2 | Binding | ChEMBL | 177 | 1 | 1 | 4 | 1.8 | Nc1nc(-c2ccccc2)ns1 | 10.1021/acsmedchemlett.2c00099 | ||
| CHEMBL5075285 | 214343 | 0 | None | -7 | 4 | Human | 8.1 | pKd | = | 8.1 | Binding | ChEMBL | None | None | None | CCCn1c(=O)c2[nH]c(C34CCC(C(=O)NCCNC(=O)CCNC(=O)CCNC(=O)CCCCCNC(=O)COc5ccc(/C=C/C6=[N+]7C(=Cc8ccc(-c9cccs9)n8[B-]7(F)F)C=C6)cc5)(CC3)CC4)nc2n(CCC)c1=O | 10.1021/acs.jmedchem.0c02067 | ||||
| 17457984 | 191696 | 5 | None | -2 | 4 | Human | 4.1 | pKd | = | 4.1 | Binding | ChEMBL | 284 | 4 | 1 | 5 | 2.5 | CC(C)n1ncc2cc(C(=O)NCc3ccco3)cnc21 | 10.1021/acsmedchemlett.2c00099 | ||
| CHEMBL5197070 | 191696 | 5 | None | -2 | 4 | Human | 4.1 | pKd | = | 4.1 | Binding | ChEMBL | 284 | 4 | 1 | 5 | 2.5 | CC(C)n1ncc2cc(C(=O)NCc3ccco3)cnc21 | 10.1021/acsmedchemlett.2c00099 | ||
| 136 | 3267 | 32 | None | -57 | 16 | Rat | 7.0 | pKd | = | 7.0 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@@H]1[C@@H](O)CC[C@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1021/jm00360a008 | ||
| 223 | 3267 | 32 | None | -57 | 16 | Rat | 7.0 | pKd | = | 7.0 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@@H]1[C@@H](O)CC[C@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1021/jm00360a008 | ||
| 643606 | 3267 | 32 | None | -57 | 16 | Rat | 7.0 | pKd | = | 7.0 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@@H]1[C@@H](O)CC[C@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1021/jm00360a008 | ||
| CHEMBL10347 | 3267 | 32 | None | -57 | 16 | Rat | 7.0 | pKd | = | 7.0 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@@H]1[C@@H](O)CC[C@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1021/jm00360a008 | ||
| 155555721 | 174369 | 7 | None | 1 | 2 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 572 | 6 | 2 | 7 | 2.8 | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(c5ccc(Br)cc5)CC4)cc3)[nH]c2c1=O | 10.1021/acs.jmedchem.9b00071 | ||
| CHEMBL4552275 | 174369 | 7 | None | 1 | 2 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 572 | 6 | 2 | 7 | 2.8 | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(c5ccc(Br)cc5)CC4)cc3)[nH]c2c1=O | 10.1021/acs.jmedchem.9b00071 | ||
| 155555721 | 174369 | 7 | None | -1 | 2 | Mouse | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 572 | 6 | 2 | 7 | 2.8 | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(c5ccc(Br)cc5)CC4)cc3)[nH]c2c1=O | 10.1021/acs.jmedchem.9b00071 | ||
| CHEMBL4552275 | 174369 | 7 | None | -1 | 2 | Mouse | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 572 | 6 | 2 | 7 | 2.8 | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(c5ccc(Br)cc5)CC4)cc3)[nH]c2c1=O | 10.1021/acs.jmedchem.9b00071 | ||
| 155521543 | 170586 | 0 | None | 645 | 2 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 572 | 6 | 2 | 7 | 2.8 | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(c5ccccc5Br)CC4)cc3)[nH]c2c1=O | 10.1021/acs.jmedchem.9b00071 | ||
| CHEMBL4450864 | 170586 | 0 | None | 645 | 2 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 572 | 6 | 2 | 7 | 2.8 | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(c5ccccc5Br)CC4)cc3)[nH]c2c1=O | 10.1021/acs.jmedchem.9b00071 | ||
| 155530514 | 171524 | 0 | None | 6 | 5 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 586 | 7 | 2 | 7 | 2.8 | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5cccc(Br)c5)CC4)cc3)[nH]c2c1=O | 10.1021/acs.jmedchem.9b00071 | ||
| CHEMBL4464522 | 171524 | 0 | None | 6 | 5 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 586 | 7 | 2 | 7 | 2.8 | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5cccc(Br)c5)CC4)cc3)[nH]c2c1=O | 10.1021/acs.jmedchem.9b00071 | ||
| 155550159 | 173879 | 0 | None | 501 | 2 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 586 | 7 | 2 | 7 | 2.8 | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc(Br)cc5)CC4)cc3)[nH]c2c1=O | 10.1021/acs.jmedchem.9b00071 | ||
| CHEMBL4540206 | 173879 | 0 | None | 501 | 2 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 586 | 7 | 2 | 7 | 2.8 | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc(Br)cc5)CC4)cc3)[nH]c2c1=O | 10.1021/acs.jmedchem.9b00071 | ||
| 44186666 | 185634 | 0 | None | 144 | 5 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 562 | 6 | 2 | 7 | 2.6 | CCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc(C(F)(F)F)cc5)CC4)cc3)[nH]c2c1=O | 10.1021/jm900413e | ||
| CHEMBL486478 | 185634 | 0 | None | 144 | 5 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 562 | 6 | 2 | 7 | 2.6 | CCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc(C(F)(F)F)cc5)CC4)cc3)[nH]c2c1=O | 10.1021/jm900413e | ||
| 155524032 | 170866 | 0 | None | 19054 | 2 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 620 | 6 | 2 | 7 | 2.6 | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(c5ccc(I)cc5)CC4)cc3)[nH]c2c1=O | 10.1021/acs.jmedchem.9b00071 | ||
| CHEMBL4454481 | 170866 | 0 | None | 19054 | 2 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 620 | 6 | 2 | 7 | 2.6 | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(c5ccc(I)cc5)CC4)cc3)[nH]c2c1=O | 10.1021/acs.jmedchem.9b00071 | ||
| 76328910 | 105494 | 0 | None | -1 | 4 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 522 | 8 | 1 | 8 | 2.9 | Cn1c(=O)c2[nH]c(-c3ccc(OCCCN4CCN(Cc5ccccc5Cl)CC4)cc3)nc2n(C)c1=O | 10.1016/j.ejmech.2014.01.045 | ||
| CHEMBL3121728 | 105494 | 0 | None | -1 | 4 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 522 | 8 | 1 | 8 | 2.9 | Cn1c(=O)c2[nH]c(-c3ccc(OCCCN4CCN(Cc5ccccc5Cl)CC4)cc3)nc2n(C)c1=O | 10.1016/j.ejmech.2014.01.045 | ||
| 145977111 | 163741 | 0 | None | 7 | 4 | Rat | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 617 | 9 | 3 | 7 | 3.9 | CCCn1c(=O)[nH]c2nc(-c3ccc(OCC(=O)NCCC4=C5C(C)=CC(C)=[N+]5[B-](F)(F)n5c(C)cc(C)c54)cc3)[nH]c2c1=O | 10.1021/acs.jmedchem.7b01627 | ||
| CHEMBL4205635 | 163741 | 0 | None | 7 | 4 | Rat | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 617 | 9 | 3 | 7 | 3.9 | CCCn1c(=O)[nH]c2nc(-c3ccc(OCC(=O)NCCC4=C5C(C)=CC(C)=[N+]5[B-](F)(F)n5c(C)cc(C)c54)cc3)[nH]c2c1=O | 10.1021/acs.jmedchem.7b01627 | ||
| 44186580 | 184182 | 0 | None | 30 | 6 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 528 | 6 | 2 | 7 | 2.3 | CCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc(Cl)cc5)CC4)cc3)[nH]c2c1=O | 10.1021/jm900413e | ||
| CHEMBL483261 | 184182 | 0 | None | 30 | 6 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 528 | 6 | 2 | 7 | 2.3 | CCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc(Cl)cc5)CC4)cc3)[nH]c2c1=O | 10.1021/jm900413e | ||
| 155529872 | 171482 | 0 | None | 165 | 3 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 558 | 7 | 2 | 8 | 2.7 | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(c5ccc(Cl)c(OC)c5)CC4)cc3)[nH]c2c1=O | 10.1021/acs.jmedchem.9b00071 | ||
| CHEMBL4463929 | 171482 | 0 | None | 165 | 3 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 558 | 7 | 2 | 8 | 2.7 | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(c5ccc(Cl)c(OC)c5)CC4)cc3)[nH]c2c1=O | 10.1021/acs.jmedchem.9b00071 | ||
| 155532274 | 171673 | 0 | None | - | 1 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 572 | 6 | 2 | 7 | 2.8 | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(c5cccc(Br)c5)CC4)cc3)[nH]c2c1=O | 10.1021/acs.jmedchem.9b00071 | ||
| CHEMBL4466625 | 171673 | 0 | None | - | 1 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 572 | 6 | 2 | 7 | 2.8 | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(c5cccc(Br)c5)CC4)cc3)[nH]c2c1=O | 10.1021/acs.jmedchem.9b00071 | ||
| 155560510 | 175024 | 0 | None | 851 | 3 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 549 | 8 | 2 | 8 | 2.9 | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc(N=[N+]=[N-])cc5)CC4)cc3)[nH]c2c1=O | 10.1021/acs.jmedchem.9b00071 | ||
| CHEMBL4567785 | 175024 | 0 | None | 851 | 3 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 549 | 8 | 2 | 8 | 2.9 | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc(N=[N+]=[N-])cc5)CC4)cc3)[nH]c2c1=O | 10.1021/acs.jmedchem.9b00071 | ||
| 44186668 | 191486 | 0 | None | 245 | 6 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 562 | 6 | 2 | 7 | 2.6 | CCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5cccc(C(F)(F)F)c5)CC4)cc3)[nH]c2c1=O | 10.1021/jm900413e | ||
| CHEMBL519390 | 191486 | 0 | None | 245 | 6 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 562 | 6 | 2 | 7 | 2.6 | CCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5cccc(C(F)(F)F)c5)CC4)cc3)[nH]c2c1=O | 10.1021/jm900413e | ||
| 44186667 | 185635 | 0 | None | 478 | 6 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 576 | 7 | 2 | 7 | 3.0 | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc(C(F)(F)F)cc5)CC4)cc3)[nH]c2c1=O | 10.1021/jm900413e | ||
| CHEMBL486479 | 185635 | 0 | None | 478 | 6 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 576 | 7 | 2 | 7 | 3.0 | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc(C(F)(F)F)cc5)CC4)cc3)[nH]c2c1=O | 10.1021/jm900413e | ||
| 155528136 | 171233 | 0 | None | 158 | 3 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 528 | 6 | 2 | 7 | 2.7 | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(c5cccc(Cl)c5)CC4)cc3)[nH]c2c1=O | 10.1021/acs.jmedchem.9b00071 | ||
| CHEMBL4460114 | 171233 | 0 | None | 158 | 3 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 528 | 6 | 2 | 7 | 2.7 | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(c5cccc(Cl)c5)CC4)cc3)[nH]c2c1=O | 10.1021/acs.jmedchem.9b00071 | ||
| 155545762 | 173455 | 0 | None | - | 1 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 558 | 7 | 2 | 8 | 2.7 | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(c5ccc(OC)c(Cl)c5)CC4)cc3)[nH]c2c1=O | 10.1021/acs.jmedchem.9b00071 | ||
| CHEMBL4530074 | 173455 | 0 | None | - | 1 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 558 | 7 | 2 | 8 | 2.7 | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(c5ccc(OC)c(Cl)c5)CC4)cc3)[nH]c2c1=O | 10.1021/acs.jmedchem.9b00071 | ||
| 44186581 | 3183 | 27 | None | 851 | 6 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 542 | 7 | 2 | 7 | 2.7 | CCCn1c(=O)[nH]c2c(c1=O)[nH]c(n2)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)Cc1ccc(cc1)Cl | 10.1021/jm900413e | ||
| 6561 | 3183 | 27 | None | 851 | 6 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 542 | 7 | 2 | 7 | 2.7 | CCCn1c(=O)[nH]c2c(c1=O)[nH]c(n2)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)Cc1ccc(cc1)Cl | 10.1021/jm900413e | ||
| CHEMBL482436 | 3183 | 27 | None | 851 | 6 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 542 | 7 | 2 | 7 | 2.7 | CCCn1c(=O)[nH]c2c(c1=O)[nH]c(n2)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)Cc1ccc(cc1)Cl | 10.1021/jm900413e | ||
| 155514860 | 169857 | 0 | None | 478 | 3 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 522 | 7 | 2 | 7 | 2.3 | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5cccc(C)c5)CC4)cc3)[nH]c2c1=O | 10.1021/acs.jmedchem.9b00071 | ||
| CHEMBL4440526 | 169857 | 0 | None | 478 | 3 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 522 | 7 | 2 | 7 | 2.3 | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5cccc(C)c5)CC4)cc3)[nH]c2c1=O | 10.1021/acs.jmedchem.9b00071 | ||
| 450 | 2949 | 9 | None | 257 | 4 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 525 | 10 | 3 | 6 | 3.6 | CC(=O)NCCNc1nc(nc2c1cc([nH]2)C(=O)N1CCN(CC1)CCCc1ccccc1)c1ccccc1 | 10.1021/jm201292w | ||
| 454 | 2949 | 9 | None | 257 | 4 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 525 | 10 | 3 | 6 | 3.6 | CC(=O)NCCNc1nc(nc2c1cc([nH]2)C(=O)N1CCN(CC1)CCCc1ccccc1)c1ccccc1 | 10.1021/jm201292w | ||
| 5311041 | 2949 | 9 | None | 257 | 4 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 525 | 10 | 3 | 6 | 3.6 | CC(=O)NCCNc1nc(nc2c1cc([nH]2)C(=O)N1CCN(CC1)CCCc1ccccc1)c1ccccc1 | 10.1021/jm201292w | ||
| CHEMBL485862 | 2949 | 9 | None | 257 | 4 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 525 | 10 | 3 | 6 | 3.6 | CC(=O)NCCNc1nc(nc2c1cc([nH]2)C(=O)N1CCN(CC1)CCCc1ccccc1)c1ccccc1 | 10.1021/jm201292w | ||
| 155514957 | 169903 | 0 | None | 501 | 2 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 528 | 6 | 2 | 7 | 2.7 | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(c5ccccc5Cl)CC4)cc3)[nH]c2c1=O | 10.1021/acs.jmedchem.9b00071 | ||
| CHEMBL4441276 | 169903 | 0 | None | 501 | 2 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 528 | 6 | 2 | 7 | 2.7 | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(c5ccccc5Cl)CC4)cc3)[nH]c2c1=O | 10.1021/acs.jmedchem.9b00071 | ||
| 44185870 | 184206 | 0 | None | 117 | 5 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 514 | 5 | 2 | 7 | 2.3 | CCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(c5ccc(Cl)cc5)CC4)cc3)[nH]c2c1=O | 10.1021/jm900413e | ||
| CHEMBL483487 | 184206 | 0 | None | 117 | 5 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 514 | 5 | 2 | 7 | 2.3 | CCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(c5ccc(Cl)cc5)CC4)cc3)[nH]c2c1=O | 10.1021/jm900413e | ||
| 450 | 2949 | 9 | None | 257 | 4 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 525 | 10 | 3 | 6 | 3.6 | CC(=O)NCCNc1nc(nc2c1cc([nH]2)C(=O)N1CCN(CC1)CCCc1ccccc1)c1ccccc1 | 10.1021/jm900413e | ||
| 454 | 2949 | 9 | None | 257 | 4 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 525 | 10 | 3 | 6 | 3.6 | CC(=O)NCCNc1nc(nc2c1cc([nH]2)C(=O)N1CCN(CC1)CCCc1ccccc1)c1ccccc1 | 10.1021/jm900413e | ||
| 5311041 | 2949 | 9 | None | 257 | 4 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 525 | 10 | 3 | 6 | 3.6 | CC(=O)NCCNc1nc(nc2c1cc([nH]2)C(=O)N1CCN(CC1)CCCc1ccccc1)c1ccccc1 | 10.1021/jm900413e | ||
| CHEMBL485862 | 2949 | 9 | None | 257 | 4 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 525 | 10 | 3 | 6 | 3.6 | CC(=O)NCCNc1nc(nc2c1cc([nH]2)C(=O)N1CCN(CC1)CCCc1ccccc1)c1ccccc1 | 10.1021/jm900413e | ||
| 155523968 | 170863 | 0 | None | 97 | 3 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 544 | 6 | 3 | 8 | 2.4 | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(c5ccc(Cl)c(O)c5)CC4)cc3)[nH]c2c1=O | 10.1021/acs.jmedchem.9b00071 | ||
| CHEMBL4454417 | 170863 | 0 | None | 97 | 3 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 544 | 6 | 3 | 8 | 2.4 | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(c5ccc(Cl)c(O)c5)CC4)cc3)[nH]c2c1=O | 10.1021/acs.jmedchem.9b00071 | ||
| 155516277 | 170040 | 0 | None | 331 | 3 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 508 | 6 | 2 | 7 | 2.3 | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(c5ccccc5C)CC4)cc3)[nH]c2c1=O | 10.1021/acs.jmedchem.9b00071 | ||
| CHEMBL4443090 | 170040 | 0 | None | 331 | 3 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 508 | 6 | 2 | 7 | 2.3 | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(c5ccccc5C)CC4)cc3)[nH]c2c1=O | 10.1021/acs.jmedchem.9b00071 | ||
| 44186626 | 184585 | 0 | None | 245 | 6 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 526 | 7 | 2 | 7 | 2.1 | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5cccc(F)c5)CC4)cc3)[nH]c2c1=O | 10.1021/jm900413e | ||
| CHEMBL484900 | 184585 | 0 | None | 245 | 6 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 526 | 7 | 2 | 7 | 2.1 | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5cccc(F)c5)CC4)cc3)[nH]c2c1=O | 10.1021/jm900413e | ||
| 44185872 | 191374 | 0 | None | 416 | 4 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 524 | 5 | 2 | 7 | 1.9 | C#CCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(c5ccc(Cl)cc5)CC4)cc3)[nH]c2c1=O | 10.1021/jm900413e | ||
| CHEMBL519253 | 191374 | 0 | None | 416 | 4 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 524 | 5 | 2 | 7 | 1.9 | C#CCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(c5ccc(Cl)cc5)CC4)cc3)[nH]c2c1=O | 10.1021/jm900413e | ||
| 155561141 | 174950 | 0 | None | 676 | 3 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 604 | 7 | 2 | 7 | 2.9 | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc(Br)c(F)c5)CC4)cc3)[nH]c2c1=O | 10.1021/acs.jmedchem.9b00071 | ||
| CHEMBL4566170 | 174950 | 0 | None | 676 | 3 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 604 | 7 | 2 | 7 | 2.9 | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc(Br)c(F)c5)CC4)cc3)[nH]c2c1=O | 10.1021/acs.jmedchem.9b00071 | ||
| 450 | 2949 | 9 | None | 257 | 4 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 525 | 10 | 3 | 6 | 3.6 | CC(=O)NCCNc1nc(nc2c1cc([nH]2)C(=O)N1CCN(CC1)CCCc1ccccc1)c1ccccc1 | 10.1021/acs.jmedchem.0c01431 | ||
| 454 | 2949 | 9 | None | 257 | 4 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 525 | 10 | 3 | 6 | 3.6 | CC(=O)NCCNc1nc(nc2c1cc([nH]2)C(=O)N1CCN(CC1)CCCc1ccccc1)c1ccccc1 | 10.1021/acs.jmedchem.0c01431 | ||
| 5311041 | 2949 | 9 | None | 257 | 4 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 525 | 10 | 3 | 6 | 3.6 | CC(=O)NCCNc1nc(nc2c1cc([nH]2)C(=O)N1CCN(CC1)CCCc1ccccc1)c1ccccc1 | 10.1021/acs.jmedchem.0c01431 | ||
| CHEMBL485862 | 2949 | 9 | None | 257 | 4 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 525 | 10 | 3 | 6 | 3.6 | CC(=O)NCCNc1nc(nc2c1cc([nH]2)C(=O)N1CCN(CC1)CCCc1ccccc1)c1ccccc1 | 10.1021/acs.jmedchem.0c01431 | ||
| 450 | 2949 | 9 | None | 257 | 4 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 525 | 10 | 3 | 6 | 3.6 | CC(=O)NCCNc1nc(nc2c1cc([nH]2)C(=O)N1CCN(CC1)CCCc1ccccc1)c1ccccc1 | 10.1021/acs.jmedchem.9b01340 | ||
| 454 | 2949 | 9 | None | 257 | 4 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 525 | 10 | 3 | 6 | 3.6 | CC(=O)NCCNc1nc(nc2c1cc([nH]2)C(=O)N1CCN(CC1)CCCc1ccccc1)c1ccccc1 | 10.1021/acs.jmedchem.9b01340 | ||
| 5311041 | 2949 | 9 | None | 257 | 4 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 525 | 10 | 3 | 6 | 3.6 | CC(=O)NCCNc1nc(nc2c1cc([nH]2)C(=O)N1CCN(CC1)CCCc1ccccc1)c1ccccc1 | 10.1021/acs.jmedchem.9b01340 | ||
| CHEMBL485862 | 2949 | 9 | None | 257 | 4 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 525 | 10 | 3 | 6 | 3.6 | CC(=O)NCCNc1nc(nc2c1cc([nH]2)C(=O)N1CCN(CC1)CCCc1ccccc1)c1ccccc1 | 10.1021/acs.jmedchem.9b01340 | ||
| 127033645 | 139095 | 0 | None | - | 1 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 526 | 10 | 3 | 7 | 3.0 | CC(=O)NCCNc1nc(-c2ccccc2)nc2nc(C(=O)N3CCN(CCCc4ccccc4)CC3)[nH]c12 | 10.1021/acs.jmedchem.5b01586 | ||
| CHEMBL3786849 | 139095 | 0 | None | - | 1 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 526 | 10 | 3 | 7 | 3.0 | CC(=O)NCCNc1nc(-c2ccccc2)nc2nc(C(=O)N3CCN(CCCc4ccccc4)CC3)[nH]c12 | 10.1021/acs.jmedchem.5b01586 | ||
| 127033645 | 139095 | 0 | None | - | 1 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 526 | 10 | 3 | 7 | 3.0 | CC(=O)NCCNc1nc(-c2ccccc2)nc2nc(C(=O)N3CCN(CCCc4ccccc4)CC3)[nH]c12 | 10.1021/acs.jmedchem.7b00138 | ||
| CHEMBL3786849 | 139095 | 0 | None | - | 1 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 526 | 10 | 3 | 7 | 3.0 | CC(=O)NCCNc1nc(-c2ccccc2)nc2nc(C(=O)N3CCN(CCCc4ccccc4)CC3)[nH]c12 | 10.1021/acs.jmedchem.7b00138 | ||
| 3284 | 3194 | 35 | None | -1 | 7 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 528 | 6 | 2 | 7 | 2.7 | CCCn1c(=O)[nH]c2c(c1=O)[nH]c(n2)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)Cl | 10.1021/jm900413e | ||
| 44185871 | 3194 | 35 | None | -1 | 7 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 528 | 6 | 2 | 7 | 2.7 | CCCn1c(=O)[nH]c2c(c1=O)[nH]c(n2)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)Cl | 10.1021/jm900413e | ||
| 5728 | 3194 | 35 | None | -1 | 7 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 528 | 6 | 2 | 7 | 2.7 | CCCn1c(=O)[nH]c2c(c1=O)[nH]c(n2)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)Cl | 10.1021/jm900413e | ||
| CHEMBL483688 | 3194 | 35 | None | -1 | 7 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 528 | 6 | 2 | 7 | 2.7 | CCCn1c(=O)[nH]c2c(c1=O)[nH]c(n2)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)Cl | 10.1021/jm900413e | ||
| 44186624 | 192412 | 0 | None | 57 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 526 | 7 | 2 | 7 | 2.1 | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc(F)cc5)CC4)cc3)[nH]c2c1=O | 10.1021/jm900413e | ||
| CHEMBL520830 | 192412 | 0 | None | 57 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 526 | 7 | 2 | 7 | 2.1 | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc(F)cc5)CC4)cc3)[nH]c2c1=O | 10.1021/jm900413e | ||
| 53324032 | 57999 | 0 | None | 165 | 3 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 352 | 4 | 1 | 4 | 3.8 | O=C(Nc1cnc(-c2ccncc2F)c(-c2ccccc2F)n1)C1CC1 | 10.1021/ml100249e | ||
| CHEMBL1672631 | 57999 | 0 | None | 165 | 3 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 352 | 4 | 1 | 4 | 3.8 | O=C(Nc1cnc(-c2ccncc2F)c(-c2ccccc2F)n1)C1CC1 | 10.1021/ml100249e | ||
| 44186582 | 184089 | 0 | None | 158 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 528 | 6 | 2 | 7 | 2.3 | CCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5cccc(Cl)c5)CC4)cc3)[nH]c2c1=O | 10.1021/jm900413e | ||
| CHEMBL482638 | 184089 | 0 | None | 158 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 528 | 6 | 2 | 7 | 2.3 | CCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5cccc(Cl)c5)CC4)cc3)[nH]c2c1=O | 10.1021/jm900413e | ||
| 155525050 | 170955 | 0 | None | 316 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 524 | 7 | 2 | 8 | 2.0 | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(c5cccc(OC)c5)CC4)cc3)[nH]c2c1=O | 10.1021/acs.jmedchem.9b00071 | ||
| CHEMBL4456096 | 170955 | 0 | None | 316 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 524 | 7 | 2 | 8 | 2.0 | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(c5cccc(OC)c5)CC4)cc3)[nH]c2c1=O | 10.1021/acs.jmedchem.9b00071 | ||
| 155530257 | 171498 | 0 | None | 213 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 556 | 8 | 2 | 8 | 2.1 | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc(F)c(OC)c5)CC4)cc3)[nH]c2c1=O | 10.1021/acs.jmedchem.9b00071 | ||
| CHEMBL4464175 | 171498 | 0 | None | 213 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 556 | 8 | 2 | 8 | 2.1 | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc(F)c(OC)c5)CC4)cc3)[nH]c2c1=O | 10.1021/acs.jmedchem.9b00071 | ||
| 155531990 | 171684 | 0 | None | 1 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 512 | 6 | 2 | 7 | 2.1 | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(c5cccc(F)c5)CC4)cc3)[nH]c2c1=O | 10.1021/acs.jmedchem.9b00071 | ||
| CHEMBL4466765 | 171684 | 0 | None | 1 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 512 | 6 | 2 | 7 | 2.1 | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(c5cccc(F)c5)CC4)cc3)[nH]c2c1=O | 10.1021/acs.jmedchem.9b00071 | ||
| 155564465 | 175233 | 0 | None | 190 | 3 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 494 | 6 | 2 | 7 | 2.0 | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(c5ccccc5)CC4)cc3)[nH]c2c1=O | 10.1021/acs.jmedchem.9b00071 | ||
| CHEMBL4572369 | 175233 | 0 | None | 190 | 3 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 494 | 6 | 2 | 7 | 2.0 | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(c5ccccc5)CC4)cc3)[nH]c2c1=O | 10.1021/acs.jmedchem.9b00071 | ||
| 155534836 | 171973 | 0 | None | 165 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 512 | 6 | 2 | 7 | 2.1 | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(c5ccc(F)cc5)CC4)cc3)[nH]c2c1=O | 10.1021/acs.jmedchem.9b00071 | ||
| CHEMBL4471205 | 171973 | 0 | None | 165 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 512 | 6 | 2 | 7 | 2.1 | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(c5ccc(F)cc5)CC4)cc3)[nH]c2c1=O | 10.1021/acs.jmedchem.9b00071 | ||
| 168297247 | 192353 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 327 | 4 | 2 | 6 | 2.2 | CCCn1c(=O)[nH]c2nc(-c3ccc(N=C=S)cc3)[nH]c2c1=O | 10.1039/d2md00132b | ||
| CHEMBL5207498 | 192353 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 327 | 4 | 2 | 6 | 2.2 | CCCn1c(=O)[nH]c2nc(-c3ccc(N=C=S)cc3)[nH]c2c1=O | 10.1039/d2md00132b | ||
| 168296088 | 192342 | 1 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 352 | 4 | 2 | 6 | 1.1 | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)F)cc3)[nH]c2c1=O | 10.1039/d2md00132b | ||
| CHEMBL5207290 | 192342 | 1 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 352 | 4 | 2 | 6 | 1.1 | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)F)cc3)[nH]c2c1=O | 10.1039/d2md00132b | ||
| 44186625 | 184584 | 0 | None | 208 | 6 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 512 | 6 | 2 | 7 | 1.7 | CCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5cccc(F)c5)CC4)cc3)[nH]c2c1=O | 10.1021/jm900413e | ||
| CHEMBL484899 | 184584 | 0 | None | 208 | 6 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 512 | 6 | 2 | 7 | 1.7 | CCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5cccc(F)c5)CC4)cc3)[nH]c2c1=O | 10.1021/jm900413e | ||
| 155530381 | 171540 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 508 | 6 | 2 | 7 | 2.3 | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(c5ccc(C)cc5)CC4)cc3)[nH]c2c1=O | 10.1021/acs.jmedchem.9b00071 | ||
| CHEMBL4464738 | 171540 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 508 | 6 | 2 | 7 | 2.3 | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(c5ccc(C)cc5)CC4)cc3)[nH]c2c1=O | 10.1021/acs.jmedchem.9b00071 | ||
| 44186669 | 185773 | 0 | None | 354 | 6 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 576 | 7 | 2 | 7 | 3.0 | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5cccc(C(F)(F)F)c5)CC4)cc3)[nH]c2c1=O | 10.1021/jm900413e | ||
| CHEMBL486688 | 185773 | 0 | None | 354 | 6 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 576 | 7 | 2 | 7 | 3.0 | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5cccc(C(F)(F)F)c5)CC4)cc3)[nH]c2c1=O | 10.1021/jm900413e | ||
| 44186622 | 184205 | 0 | None | 208 | 6 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 542 | 7 | 2 | 7 | 2.7 | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5cccc(Cl)c5)CC4)cc3)[nH]c2c1=O | 10.1021/jm900413e | ||
| CHEMBL483469 | 184205 | 0 | None | 208 | 6 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 542 | 7 | 2 | 7 | 2.7 | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5cccc(Cl)c5)CC4)cc3)[nH]c2c1=O | 10.1021/jm900413e | ||
| 44574165 | 189443 | 0 | None | 2 | 6 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 410 | 4 | 2 | 7 | 3.0 | Cn1c(=O)c2[nH]c(-c3ccc(COC(=O)Nc4ccsc4)cc3)cc2n(C)c1=O | 10.1016/j.bmc.2009.03.062 | ||
| CHEMBL513681 | 189443 | 0 | None | 2 | 6 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 410 | 4 | 2 | 7 | 3.0 | Cn1c(=O)c2[nH]c(-c3ccc(COC(=O)Nc4ccsc4)cc3)cc2n(C)c1=O | 10.1016/j.bmc.2009.03.062 | ||
| 44186715 | 191195 | 0 | None | 54 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 522 | 7 | 2 | 7 | 2.3 | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc(C)cc5)CC4)cc3)[nH]c2c1=O | 10.1021/jm900413e | ||
| CHEMBL518972 | 191195 | 0 | None | 54 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 522 | 7 | 2 | 7 | 2.3 | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc(C)cc5)CC4)cc3)[nH]c2c1=O | 10.1021/jm900413e | ||
| 44186718 | 184149 | 0 | None | 117 | 6 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 538 | 6 | 2 | 9 | 1.3 | CCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc6c(c5)OCO6)CC4)cc3)[nH]c2c1=O | 10.1021/jm900413e | ||
| CHEMBL483065 | 184149 | 0 | None | 117 | 6 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 538 | 6 | 2 | 9 | 1.3 | CCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc6c(c5)OCO6)CC4)cc3)[nH]c2c1=O | 10.1021/jm900413e | ||
| 155522541 | 170787 | 0 | None | 275 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 556 | 8 | 2 | 8 | 2.1 | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc(OC)c(F)c5)CC4)cc3)[nH]c2c1=O | 10.1021/acs.jmedchem.9b00071 | ||
| CHEMBL4453324 | 170787 | 0 | None | 275 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 556 | 8 | 2 | 8 | 2.1 | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc(OC)c(F)c5)CC4)cc3)[nH]c2c1=O | 10.1021/acs.jmedchem.9b00071 | ||
| 44236421 | 156547 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 572 | 8 | 1 | 9 | 2.9 | CCCn1c(=O)c2[nH]c(-c3cnn(CC(=O)N4CCN(c5ccc(C(F)(F)F)cc5)CC4)c3)nc2n(CCC)c1=O | 10.1016/j.ejmech.2016.11.007 | ||
| CHEMBL4068507 | 156547 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 572 | 8 | 1 | 9 | 2.9 | CCCn1c(=O)c2[nH]c(-c3cnn(CC(=O)N4CCN(c5ccc(C(F)(F)F)cc5)CC4)c3)nc2n(CCC)c1=O | 10.1016/j.ejmech.2016.11.007 | ||
| 155530514 | 171524 | 0 | None | -6 | 5 | Mouse | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 586 | 7 | 2 | 7 | 2.8 | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5cccc(Br)c5)CC4)cc3)[nH]c2c1=O | 10.1021/acs.jmedchem.9b00071 | ||
| CHEMBL4464522 | 171524 | 0 | None | -6 | 5 | Mouse | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 586 | 7 | 2 | 7 | 2.8 | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5cccc(Br)c5)CC4)cc3)[nH]c2c1=O | 10.1021/acs.jmedchem.9b00071 | ||
| 155531990 | 171684 | 0 | None | -1 | 2 | Mouse | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 512 | 6 | 2 | 7 | 2.1 | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(c5cccc(F)c5)CC4)cc3)[nH]c2c1=O | 10.1021/acs.jmedchem.9b00071 | ||
| CHEMBL4466765 | 171684 | 0 | None | -1 | 2 | Mouse | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 512 | 6 | 2 | 7 | 2.1 | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(c5cccc(F)c5)CC4)cc3)[nH]c2c1=O | 10.1021/acs.jmedchem.9b00071 | ||
| 44186717 | 184121 | 0 | None | 89 | 6 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 538 | 8 | 2 | 8 | 2.0 | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc(OC)cc5)CC4)cc3)[nH]c2c1=O | 10.1021/jm900413e | ||
| CHEMBL482855 | 184121 | 0 | None | 89 | 6 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 538 | 8 | 2 | 8 | 2.0 | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc(OC)cc5)CC4)cc3)[nH]c2c1=O | 10.1021/jm900413e | ||
| 76336198 | 105492 | 0 | None | -13 | 2 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 340 | 3 | 1 | 6 | 1.9 | Cn1c(=O)c2[nH]c(-c3ccc(OC4CCCC4)cc3)nc2n(C)c1=O | 10.1016/j.ejmech.2014.01.045 | ||
| CHEMBL3121726 | 105492 | 0 | None | -13 | 2 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 340 | 3 | 1 | 6 | 1.9 | Cn1c(=O)c2[nH]c(-c3ccc(OC4CCCC4)cc3)nc2n(C)c1=O | 10.1016/j.ejmech.2014.01.045 | ||
| 135543624 | 16277 | 28 | None | -16 | 4 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 348 | 4 | 3 | 7 | 2.8 | N#Cc1c(N)nc(SCc2ncc[nH]2)c(C#N)c1-c1ccc(O)cc1 | 10.1021/acsmedchemlett.2c00099 | ||
| CHEMBL122622 | 16277 | 28 | None | -16 | 4 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 348 | 4 | 3 | 7 | 2.8 | N#Cc1c(N)nc(SCc2ncc[nH]2)c(C#N)c1-c1ccc(O)cc1 | 10.1021/acsmedchemlett.2c00099 | ||
| 66894241 | 157789 | 0 | None | 114 | 3 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 543 | 8 | 1 | 8 | 3.6 | CCCn1c(=O)c2[nH]c(-c3cnn(CC4CC(=O)N(c5ccc(C(F)(F)F)cc5)C4)c3)nc2n(CCC)c1=O | 10.1016/j.ejmech.2016.11.007 | ||
| CHEMBL4083317 | 157789 | 0 | None | 114 | 3 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 543 | 8 | 1 | 8 | 3.6 | CCCn1c(=O)c2[nH]c(-c3cnn(CC4CC(=O)N(c5ccc(C(F)(F)F)cc5)C4)c3)nc2n(CCC)c1=O | 10.1016/j.ejmech.2016.11.007 | ||
| 66899873 | 158910 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 569 | 9 | 1 | 7 | 4.8 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC4CC(=O)N(c5ccc(C(F)(F)F)cc5)C4)cc3)nc2n(CCC)c1=O | 10.1016/j.ejmech.2016.11.007 | ||
| CHEMBL4095766 | 158910 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 569 | 9 | 1 | 7 | 4.8 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC4CC(=O)N(c5ccc(C(F)(F)F)cc5)C4)cc3)nc2n(CCC)c1=O | 10.1016/j.ejmech.2016.11.007 | ||
| 44451166 | 95936 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 620 | 7 | 1 | 9 | 4.9 | CCCn1c(=O)n(C)c(=O)c2[nH]c(-c3ccc(OC(C)(C)C(=O)N4CCN(c5nc6ccc(Cl)cc6s5)CC4)cc3)cc21 | 10.1016/j.bmc.2008.01.002 | ||
| CHEMBL259479 | 95936 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 620 | 7 | 1 | 9 | 4.9 | CCCn1c(=O)n(C)c(=O)c2[nH]c(-c3ccc(OC(C)(C)C(=O)N4CCN(c5nc6ccc(Cl)cc6s5)CC4)cc3)cc21 | 10.1016/j.bmc.2008.01.002 | ||
| 46866593 | 5908 | 0 | None | 151 | 3 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 323 | 4 | 1 | 4 | 3.9 | O=C(Nc1ccc(-c2ccncc2F)c(-c2ccco2)n1)C1CC1 | 10.1016/j.bmcl.2010.01.045 | ||
| CHEMBL1079804 | 5908 | 0 | None | 151 | 3 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 323 | 4 | 1 | 4 | 3.9 | O=C(Nc1ccc(-c2ccncc2F)c(-c2ccco2)n1)C1CC1 | 10.1016/j.bmcl.2010.01.045 | ||
| 46880424 | 6019 | 0 | None | 181 | 4 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 307 | 2 | 2 | 6 | 1.3 | O=c1[nH]c(=O)c2cc(-c3ccncn3)c(-c3ccco3)nc2[nH]1 | 10.1016/j.bmcl.2010.01.077 | ||
| CHEMBL1080513 | 6019 | 0 | None | 181 | 4 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 307 | 2 | 2 | 6 | 1.3 | O=c1[nH]c(=O)c2cc(-c3ccncn3)c(-c3ccco3)nc2[nH]1 | 10.1016/j.bmcl.2010.01.077 | ||
| 46866591 | 6274 | 0 | None | 30 | 4 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 305 | 4 | 1 | 4 | 3.8 | O=C(Nc1ccc(-c2ccncc2)c(-c2ccco2)n1)C1CC1 | 10.1016/j.bmcl.2010.01.045 | ||
| CHEMBL1081812 | 6274 | 0 | None | 30 | 4 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 305 | 4 | 1 | 4 | 3.8 | O=C(Nc1ccc(-c2ccncc2)c(-c2ccco2)n1)C1CC1 | 10.1016/j.bmcl.2010.01.045 | ||
| 16071901 | 57991 | 0 | None | 25 | 4 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 334 | 4 | 1 | 4 | 3.7 | O=C(Nc1cnc(-c2ccncc2)c(-c2ccccc2F)n1)C1CC1 | 10.1021/ml100249e | ||
| CHEMBL1672623 | 57991 | 0 | None | 25 | 4 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 334 | 4 | 1 | 4 | 3.7 | O=C(Nc1cnc(-c2ccncc2)c(-c2ccccc2F)n1)C1CC1 | 10.1021/ml100249e | ||
| 44587956 | 174748 | 0 | None | -2 | 6 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 554 | 9 | 3 | 7 | 4.5 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(Br)cc4)cc3)c(O)c2n(CCC)c1=O | 10.1016/j.bmc.2008.09.067 | ||
| CHEMBL456125 | 174748 | 0 | None | -2 | 6 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 554 | 9 | 3 | 7 | 4.5 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(Br)cc4)cc3)c(O)c2n(CCC)c1=O | 10.1016/j.bmc.2008.09.067 | ||
| 11705261 | 72962 | 0 | None | 371 | 4 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 460 | 8 | 1 | 10 | 2.7 | CCCn1c(=O)c2nc(-c3cnn(Cc4nc(-c5ccccc5)no4)c3)[nH]c2n(CCC)c1=O | 10.1016/j.bmcl.2005.10.002 | ||
| CHEMBL200779 | 72962 | 0 | None | 371 | 4 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 460 | 8 | 1 | 10 | 2.7 | CCCn1c(=O)c2nc(-c3cnn(Cc4nc(-c5ccccc5)no4)c3)[nH]c2n(CCC)c1=O | 10.1016/j.bmcl.2005.10.002 | ||
| 9822488 | 77596 | 0 | None | 691 | 4 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 404 | 3 | 1 | 7 | 1.9 | Cn1c(=O)c2nc(-c3cnn(Cc4cccc(C(F)(F)F)c4)c3)[nH]c2n(C)c1=O | 10.1021/jm7014815 | ||
| CHEMBL208824 | 77596 | 0 | None | 691 | 4 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 404 | 3 | 1 | 7 | 1.9 | Cn1c(=O)c2nc(-c3cnn(Cc4cccc(C(F)(F)F)c4)c3)[nH]c2n(C)c1=O | 10.1021/jm7014815 | ||
| 9822488 | 77596 | 0 | None | 691 | 4 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 404 | 3 | 1 | 7 | 1.9 | Cn1c(=O)c2nc(-c3cnn(Cc4cccc(C(F)(F)F)c4)c3)[nH]c2n(C)c1=O | 10.1021/jm051268+ | ||
| CHEMBL208824 | 77596 | 0 | None | 691 | 4 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 404 | 3 | 1 | 7 | 1.9 | Cn1c(=O)c2nc(-c3cnn(Cc4cccc(C(F)(F)F)c4)c3)[nH]c2n(C)c1=O | 10.1021/jm051268+ | ||
| 155532514 | 171743 | 0 | None | 154 | 2 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 556 | 8 | 2 | 8 | 2.1 | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5cc(F)cc(OC)c5)CC4)cc3)[nH]c2c1=O | 10.1021/acs.jmedchem.9b00071 | ||
| CHEMBL4467573 | 171743 | 0 | None | 154 | 2 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 556 | 8 | 2 | 8 | 2.1 | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5cc(F)cc(OC)c5)CC4)cc3)[nH]c2c1=O | 10.1021/acs.jmedchem.9b00071 | ||
| 44451166 | 95936 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 620 | 7 | 1 | 9 | 4.9 | CCCn1c(=O)n(C)c(=O)c2[nH]c(-c3ccc(OC(C)(C)C(=O)N4CCN(c5nc6ccc(Cl)cc6s5)CC4)cc3)cc21 | 10.1016/j.bmc.2008.01.002 | ||
| CHEMBL259479 | 95936 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 620 | 7 | 1 | 9 | 4.9 | CCCn1c(=O)n(C)c(=O)c2[nH]c(-c3ccc(OC(C)(C)C(=O)N4CCN(c5nc6ccc(Cl)cc6s5)CC4)cc3)cc21 | 10.1016/j.bmc.2008.01.002 | ||
| 76325371 | 105493 | 0 | None | -25 | 4 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 380 | 6 | 1 | 8 | 1.3 | Cn1c(=O)c2[nH]c(-c3ccc(OCCCn4ccnc4)cc3)nc2n(C)c1=O | 10.1016/j.ejmech.2014.01.045 | ||
| CHEMBL3121727 | 105493 | 0 | None | -25 | 4 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 380 | 6 | 1 | 8 | 1.3 | Cn1c(=O)c2[nH]c(-c3ccc(OCCCn4ccnc4)cc3)nc2n(C)c1=O | 10.1016/j.ejmech.2014.01.045 | ||
| 44186719 | 185892 | 0 | None | 74 | 6 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 552 | 7 | 2 | 9 | 1.7 | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc6c(c5)OCO6)CC4)cc3)[nH]c2c1=O | 10.1021/jm900413e | ||
| CHEMBL486893 | 185892 | 0 | None | 74 | 6 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 552 | 7 | 2 | 9 | 1.7 | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc6c(c5)OCO6)CC4)cc3)[nH]c2c1=O | 10.1021/jm900413e | ||
| 44186579 | 191760 | 0 | None | 131 | 6 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 494 | 6 | 2 | 7 | 1.6 | CCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccccc5)CC4)cc3)[nH]c2c1=O | 10.1021/jm900413e | ||
| CHEMBL519813 | 191760 | 0 | None | 131 | 6 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 494 | 6 | 2 | 7 | 1.6 | CCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccccc5)CC4)cc3)[nH]c2c1=O | 10.1021/jm900413e | ||
| 44186716 | 184090 | 0 | None | 194 | 6 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 524 | 7 | 2 | 8 | 1.6 | CCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc(OC)cc5)CC4)cc3)[nH]c2c1=O | 10.1021/jm900413e | ||
| CHEMBL482648 | 184090 | 0 | None | 194 | 6 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 524 | 7 | 2 | 8 | 1.6 | CCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc(OC)cc5)CC4)cc3)[nH]c2c1=O | 10.1021/jm900413e | ||
| 44583036 | 186931 | 0 | None | 7 | 5 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 400 | 8 | 3 | 7 | 0.6 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NCCO)cc3)cc2n(C)c1=O | 10.1021/jm900413e | ||
| CHEMBL490262 | 186931 | 0 | None | 7 | 5 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 400 | 8 | 3 | 7 | 0.6 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NCCO)cc3)cc2n(C)c1=O | 10.1021/jm900413e | ||
| CHEMBL521280 | 186931 | 0 | None | 7 | 5 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 400 | 8 | 3 | 7 | 0.6 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NCCO)cc3)cc2n(C)c1=O | 10.1021/jm900413e | ||
| 57429647 | 158613 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 573 | 9 | 2 | 9 | 3.0 | CCCn1c(=O)c2[nH]c(-c3cnn(CC(O)C4CC(=O)N(c5cccc(C(F)(F)F)c5)C4)c3)nc2n(CCC)c1=O | 10.1016/j.ejmech.2016.11.007 | ||
| CHEMBL4092455 | 158613 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 573 | 9 | 2 | 9 | 3.0 | CCCn1c(=O)c2[nH]c(-c3cnn(CC(O)C4CC(=O)N(c5cccc(C(F)(F)F)c5)C4)c3)nc2n(CCC)c1=O | 10.1016/j.ejmech.2016.11.007 | ||
| 10875138 | 138365 | 0 | None | 19 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 532 | 9 | 2 | 8 | 2.6 | CCCCn1c(=O)[nH]c2[nH]c(-c3ccc(OCC(=O)N4CCN(c5ccccc5OC)CC4)cc3)nc2c1=O | 10.1021/jm011049y | ||
| CHEMBL37726 | 138365 | 0 | None | 19 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 532 | 9 | 2 | 8 | 2.6 | CCCCn1c(=O)[nH]c2[nH]c(-c3ccc(OCC(=O)N4CCN(c5ccccc5OC)CC4)cc3)nc2c1=O | 10.1021/jm011049y | ||
| 10452788 | 162267 | 0 | None | 28 | 5 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 387 | 8 | 4 | 7 | -0.0 | CCCn1c(=O)[nH]c2[nH]c(-c3ccc(OCC(=O)NCCO)cc3)nc2c1=O | 10.1021/jm011049y | ||
| CHEMBL416417 | 162267 | 0 | None | 28 | 5 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 387 | 8 | 4 | 7 | -0.0 | CCCn1c(=O)[nH]c2[nH]c(-c3ccc(OCC(=O)NCCO)cc3)nc2c1=O | 10.1021/jm011049y | ||
| 155556884 | 174555 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 542 | 7 | 2 | 8 | 2.1 | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(c5ccc(OC)c(F)c5)CC4)cc3)[nH]c2c1=O | 10.1021/acs.jmedchem.9b00071 | ||
| CHEMBL4556744 | 174555 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 542 | 7 | 2 | 8 | 2.1 | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(c5ccc(OC)c(F)c5)CC4)cc3)[nH]c2c1=O | 10.1021/acs.jmedchem.9b00071 | ||
| 44186623 | 192065 | 0 | None | 31 | 6 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 512 | 6 | 2 | 7 | 1.7 | CCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc(F)cc5)CC4)cc3)[nH]c2c1=O | 10.1021/jm900413e | ||
| CHEMBL520297 | 192065 | 0 | None | 31 | 6 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 512 | 6 | 2 | 7 | 1.7 | CCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc(F)cc5)CC4)cc3)[nH]c2c1=O | 10.1021/jm900413e | ||
| 155512438 | 169621 | 0 | None | 102 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 538 | 8 | 2 | 8 | 2.0 | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5cccc(OC)c5)CC4)cc3)[nH]c2c1=O | 10.1021/acs.jmedchem.9b00071 | ||
| CHEMBL4437222 | 169621 | 0 | None | 102 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 538 | 8 | 2 | 8 | 2.0 | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5cccc(OC)c5)CC4)cc3)[nH]c2c1=O | 10.1021/acs.jmedchem.9b00071 | ||
| 57429619 | 158112 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 442 | 4 | 2 | 6 | 2.8 | CCCn1c(=O)[nH]c2nc(-c3cnn(CC#Cc4ccc(C(F)(F)F)cc4)c3)[nH]c2c1=O | 10.1016/j.ejmech.2017.04.014 | ||
| CHEMBL4087158 | 158112 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 442 | 4 | 2 | 6 | 2.8 | CCCn1c(=O)[nH]c2nc(-c3cnn(CC#Cc4ccc(C(F)(F)F)cc4)c3)[nH]c2c1=O | 10.1016/j.ejmech.2017.04.014 | ||
| 10075248 | 141221 | 0 | None | 28 | 5 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 516 | 9 | 2 | 7 | 2.6 | CCCCn1c(=O)[nH]c2[nH]c(-c3ccc(OCC(=O)N4CCN(Cc5ccccc5)CC4)cc3)nc2c1=O | 10.1021/jm011049y | ||
| CHEMBL38304 | 141221 | 0 | None | 28 | 5 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 516 | 9 | 2 | 7 | 2.6 | CCCCn1c(=O)[nH]c2[nH]c(-c3ccc(OCC(=O)N4CCN(Cc5ccccc5)CC4)cc3)nc2c1=O | 10.1021/jm011049y | ||
| 145977111 | 163741 | 0 | None | -7 | 4 | Mouse | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 617 | 9 | 3 | 7 | 3.9 | CCCn1c(=O)[nH]c2nc(-c3ccc(OCC(=O)NCCC4=C5C(C)=CC(C)=[N+]5[B-](F)(F)n5c(C)cc(C)c54)cc3)[nH]c2c1=O | 10.1021/acs.jmedchem.7b01627 | ||
| CHEMBL4205635 | 163741 | 0 | None | -7 | 4 | Mouse | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 617 | 9 | 3 | 7 | 3.9 | CCCn1c(=O)[nH]c2nc(-c3ccc(OCC(=O)NCCC4=C5C(C)=CC(C)=[N+]5[B-](F)(F)n5c(C)cc(C)c54)cc3)[nH]c2c1=O | 10.1021/acs.jmedchem.7b01627 | ||
| 11605883 | 79923 | 6 | None | 42 | 6 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 508 | 7 | 2 | 7 | 2.0 | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccccc5)CC4)cc3)[nH]c2c1=O | 10.1021/jm900413e | ||
| CHEMBL212625 | 79923 | 6 | None | 42 | 6 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 508 | 7 | 2 | 7 | 2.0 | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccccc5)CC4)cc3)[nH]c2c1=O | 10.1021/jm900413e | ||
| 76325369 | 105489 | 0 | None | -4 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 385 | 5 | 1 | 8 | 0.3 | Cn1c(=O)c2[nH]c(-c3ccc(OCCN4CCOCC4)cc3)nc2n(C)c1=O | 10.1016/j.ejmech.2014.01.045 | ||
| CHEMBL3121723 | 105489 | 0 | None | -4 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 385 | 5 | 1 | 8 | 0.3 | Cn1c(=O)c2[nH]c(-c3ccc(OCCN4CCOCC4)cc3)nc2n(C)c1=O | 10.1016/j.ejmech.2014.01.045 | ||
| 3287 | 2624 | 43 | None | 27 | 6 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 503 | 10 | 2 | 8 | 3.6 | CCCn1c2[nH]c(nc2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)C(=O)C | 10.1021/acs.jmedchem.1c00261 | ||
| 5139184 | 2624 | 43 | None | 27 | 6 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 503 | 10 | 2 | 8 | 3.6 | CCCn1c2[nH]c(nc2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)C(=O)C | 10.1021/acs.jmedchem.1c00261 | ||
| CHEMBL17002 | 2624 | 43 | None | 27 | 6 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 503 | 10 | 2 | 8 | 3.6 | CCCn1c2[nH]c(nc2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)C(=O)C | 10.1021/acs.jmedchem.1c00261 | ||
| 46229140 | 199622 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 517 | 10 | 1 | 9 | 3.6 | CCCn1c(=O)c2c(nc(-c3ccc(OCC(=O)Nc4ccc(C(C)=O)cc4)cc3)n2C)n(CCC)c1=O | 10.1016/j.bmc.2010.02.014 | ||
| CHEMBL592891 | 199622 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 517 | 10 | 1 | 9 | 3.6 | CCCn1c(=O)c2c(nc(-c3ccc(OCC(=O)Nc4ccc(C(C)=O)cc4)cc3)n2C)n(CCC)c1=O | 10.1016/j.bmc.2010.02.014 | ||
| 44236600 | 158223 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 484 | 6 | 1 | 7 | 3.6 | CCCn1c(=O)c2[nH]c(-c3cnn(CC#Cc4ccc(C(F)(F)F)cc4)c3)nc2n(CCC)c1=O | 10.1016/j.ejmech.2017.04.014 | ||
| CHEMBL4088514 | 158223 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 484 | 6 | 1 | 7 | 3.6 | CCCn1c(=O)c2[nH]c(-c3cnn(CC#Cc4ccc(C(F)(F)F)cc4)c3)nc2n(CCC)c1=O | 10.1016/j.ejmech.2017.04.014 | ||
| 57429649 | 158918 | 0 | None | 23 | 3 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 572 | 8 | 1 | 9 | 2.9 | CCCn1c(=O)c2[nH]c(-c3cnn(CC(=O)N4CCN(c5cccc(C(F)(F)F)c5)CC4)c3)nc2n(CCC)c1=O | 10.1016/j.ejmech.2016.11.007 | ||
| CHEMBL4095843 | 158918 | 0 | None | 23 | 3 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 572 | 8 | 1 | 9 | 2.9 | CCCn1c(=O)c2[nH]c(-c3cnn(CC(=O)N4CCN(c5cccc(C(F)(F)F)c5)CC4)c3)nc2n(CCC)c1=O | 10.1016/j.ejmech.2016.11.007 | ||
| 44451075 | 96047 | 0 | None | 75 | 2 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 563 | 9 | 1 | 7 | 4.4 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(c5cccc(Cl)c5)CC4)cc3)cc2n(CCC)c1=O | 10.1016/j.bmc.2008.01.002 | ||
| CHEMBL260051 | 96047 | 0 | None | 75 | 2 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 563 | 9 | 1 | 7 | 4.4 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(c5cccc(Cl)c5)CC4)cc3)cc2n(CCC)c1=O | 10.1016/j.bmc.2008.01.002 | ||
| 9825550 | 57562 | 0 | None | 2 | 6 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 461 | 9 | 2 | 7 | 3.4 | CCCn1c(=O)c2nc(-c3ccc(OCC(=O)Nc4ccccc4)cc3)[nH]c2n(CCC)c1=O | 10.1021/jm0506221 | ||
| CHEMBL16677 | 57562 | 0 | None | 2 | 6 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 461 | 9 | 2 | 7 | 3.4 | CCCn1c(=O)c2nc(-c3ccc(OCC(=O)Nc4ccccc4)cc3)[nH]c2n(CCC)c1=O | 10.1021/jm0506221 | ||
| 44451075 | 96047 | 0 | None | 75 | 2 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 563 | 9 | 1 | 7 | 4.4 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(c5cccc(Cl)c5)CC4)cc3)cc2n(CCC)c1=O | 10.1016/j.bmc.2008.01.002 | ||
| CHEMBL260051 | 96047 | 0 | None | 75 | 2 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 563 | 9 | 1 | 7 | 4.4 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(c5cccc(Cl)c5)CC4)cc3)cc2n(CCC)c1=O | 10.1016/j.bmc.2008.01.002 | ||
| 11684701 | 133410 | 0 | None | 17 | 2 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 496 | 5 | 2 | 6 | 3.4 | CC(Oc1ccc(-c2cc3c([nH]2)c(=O)n(C)c(=O)n3C)cc1)C(=O)Nc1ccc(Br)cc1 | 10.1021/jm0506221 | ||
| CHEMBL370588 | 133410 | 0 | None | 17 | 2 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 496 | 5 | 2 | 6 | 3.4 | CC(Oc1ccc(-c2cc3c([nH]2)c(=O)n(C)c(=O)n3C)cc1)C(=O)Nc1ccc(Br)cc1 | 10.1021/jm0506221 | ||
| 44186670 | 192278 | 0 | None | 24 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 508 | 6 | 2 | 7 | 1.9 | CCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc(C)cc5)CC4)cc3)[nH]c2c1=O | 10.1021/jm900413e | ||
| CHEMBL520617 | 192278 | 0 | None | 24 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 508 | 6 | 2 | 7 | 1.9 | CCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc(C)cc5)CC4)cc3)[nH]c2c1=O | 10.1021/jm900413e | ||
| 57429620 | 155785 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 458 | 5 | 2 | 7 | 2.6 | CCCn1c(=O)[nH]c2nc(-c3cnn(CC#Cc4ccc(OC(F)(F)F)cc4)c3)[nH]c2c1=O | 10.1016/j.ejmech.2017.04.014 | ||
| CHEMBL4059779 | 155785 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 458 | 5 | 2 | 7 | 2.6 | CCCn1c(=O)[nH]c2nc(-c3cnn(CC#Cc4ccc(OC(F)(F)F)cc4)c3)[nH]c2c1=O | 10.1016/j.ejmech.2017.04.014 | ||
| 57429617 | 157442 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 392 | 4 | 2 | 6 | 1.9 | CCCn1c(=O)[nH]c2nc(-c3cnn(CC#Cc4ccc(F)cc4)c3)[nH]c2c1=O | 10.1016/j.ejmech.2017.04.014 | ||
| CHEMBL4079273 | 157442 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 392 | 4 | 2 | 6 | 1.9 | CCCn1c(=O)[nH]c2nc(-c3cnn(CC#Cc4ccc(F)cc4)c3)[nH]c2c1=O | 10.1016/j.ejmech.2017.04.014 | ||
| 155536745 | 172179 | 0 | None | 208 | 3 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 467 | 8 | 2 | 6 | 2.4 | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N(C)CCc4ccccc4)cc3)[nH]c2c1=O | 10.1021/acs.jmedchem.9b00071 | ||
| CHEMBL4473749 | 172179 | 0 | None | 208 | 3 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 467 | 8 | 2 | 6 | 2.4 | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N(C)CCc4ccccc4)cc3)[nH]c2c1=O | 10.1021/acs.jmedchem.9b00071 | ||
| 44574251 | 178405 | 0 | None | 12 | 2 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 451 | 8 | 2 | 8 | 3.7 | CCCn1c(=O)c2[nH]c(-c3ccc(COC(=O)Nc4ccon4)cc3)cc2n(CCC)c1=O | 10.1016/j.bmc.2009.03.062 | ||
| CHEMBL466035 | 178405 | 0 | None | 12 | 2 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 451 | 8 | 2 | 8 | 3.7 | CCCn1c(=O)c2[nH]c(-c3ccc(COC(=O)Nc4ccon4)cc3)cc2n(CCC)c1=O | 10.1016/j.bmc.2009.03.062 | ||
| 44236445 | 157516 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 556 | 8 | 1 | 9 | 2.7 | CCCn1c(=O)c2[nH]c(-c3cnn(CC(=O)N4CCN(c5ccc(F)c(Cl)c5)CC4)c3)nc2n(CCC)c1=O | 10.1016/j.ejmech.2016.11.007 | ||
| CHEMBL4080171 | 157516 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 556 | 8 | 1 | 9 | 2.7 | CCCn1c(=O)c2[nH]c(-c3cnn(CC(=O)N4CCN(c5ccc(F)c(Cl)c5)CC4)c3)nc2n(CCC)c1=O | 10.1016/j.ejmech.2016.11.007 | ||
| 44451329 | 96154 | 0 | None | 204 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 501 | 5 | 1 | 7 | 2.7 | Cc1ccc(N2CCN(C(=O)C(C)Oc3ccc(-c4cc5c([nH]4)c(=O)n(C)c(=O)n5C)cc3)CC2)cc1 | 10.1016/j.bmc.2008.01.002 | ||
| CHEMBL260692 | 96154 | 0 | None | 204 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 501 | 5 | 1 | 7 | 2.7 | Cc1ccc(N2CCN(C(=O)C(C)Oc3ccc(-c4cc5c([nH]4)c(=O)n(C)c(=O)n5C)cc3)CC2)cc1 | 10.1016/j.bmc.2008.01.002 | ||
| 145977111 | 163741 | 0 | None | -10 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 617 | 9 | 3 | 7 | 3.9 | CCCn1c(=O)[nH]c2nc(-c3ccc(OCC(=O)NCCC4=C5C(C)=CC(C)=[N+]5[B-](F)(F)n5c(C)cc(C)c54)cc3)[nH]c2c1=O | 10.1021/acs.jmedchem.7b01627 | ||
| CHEMBL4205635 | 163741 | 0 | None | -10 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 617 | 9 | 3 | 7 | 3.9 | CCCn1c(=O)[nH]c2nc(-c3ccc(OCC(=O)NCCC4=C5C(C)=CC(C)=[N+]5[B-](F)(F)n5c(C)cc(C)c54)cc3)[nH]c2c1=O | 10.1021/acs.jmedchem.7b01627 | ||
| 449 | 2625 | 52 | None | -1 | 9 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 486 | 9 | 2 | 8 | 3.3 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)C#N | 10.1021/acs.jmedchem.7b00138 | ||
| 453 | 2625 | 52 | None | -1 | 9 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 486 | 9 | 2 | 8 | 3.3 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)C#N | 10.1021/acs.jmedchem.7b00138 | ||
| 6603931 | 2625 | 52 | None | -1 | 9 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 486 | 9 | 2 | 8 | 3.3 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)C#N | 10.1021/acs.jmedchem.7b00138 | ||
| CHEMBL273807 | 2625 | 52 | None | -1 | 9 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 486 | 9 | 2 | 8 | 3.3 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)C#N | 10.1021/acs.jmedchem.7b00138 | ||
| 44276476 | 168070 | 0 | None | 13 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 475 | 9 | 2 | 7 | 3.7 | CCCn1c(=O)c2nc(-c3ccc(OCC(=O)Nc4ccc(C)cc4)cc3)[nH]c2n(CCC)c1=O | 10.1021/jm0506221 | ||
| CHEMBL432664 | 168070 | 0 | None | 13 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 475 | 9 | 2 | 7 | 3.7 | CCCn1c(=O)c2nc(-c3ccc(OCC(=O)Nc4ccc(C)cc4)cc3)[nH]c2n(CCC)c1=O | 10.1021/jm0506221 | ||
| 155528717 | 171324 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 546 | 6 | 2 | 7 | 2.8 | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(c5ccc(Cl)cc5F)CC4)cc3)[nH]c2c1=O | 10.1021/acs.jmedchem.9b00071 | ||
| CHEMBL4461478 | 171324 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 546 | 6 | 2 | 7 | 2.8 | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(c5ccc(Cl)cc5F)CC4)cc3)[nH]c2c1=O | 10.1021/acs.jmedchem.9b00071 | ||
| 155548264 | 173744 | 0 | None | 4 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 542 | 6 | 1 | 8 | 2.7 | CCCn1c(=O)c2[nH]c(-c3ccc(S(=O)(=O)N4CCN(c5ccc(Cl)cc5)CC4)cc3)nc2n(C)c1=O | 10.1021/acs.jmedchem.9b00071 | ||
| CHEMBL4537196 | 173744 | 0 | None | 4 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 542 | 6 | 1 | 8 | 2.7 | CCCn1c(=O)c2[nH]c(-c3ccc(S(=O)(=O)N4CCN(c5ccc(Cl)cc5)CC4)cc3)nc2n(C)c1=O | 10.1021/acs.jmedchem.9b00071 | ||
| 449 | 2625 | 52 | None | -1 | 9 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 486 | 9 | 2 | 8 | 3.3 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)C#N | 10.1021/acs.jmedchem.0c01431 | ||
| 453 | 2625 | 52 | None | -1 | 9 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 486 | 9 | 2 | 8 | 3.3 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)C#N | 10.1021/acs.jmedchem.0c01431 | ||
| 6603931 | 2625 | 52 | None | -1 | 9 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 486 | 9 | 2 | 8 | 3.3 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)C#N | 10.1021/acs.jmedchem.0c01431 | ||
| CHEMBL273807 | 2625 | 52 | None | -1 | 9 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 486 | 9 | 2 | 8 | 3.3 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)C#N | 10.1021/acs.jmedchem.0c01431 | ||
| 449 | 2625 | 52 | None | -1 | 9 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 486 | 9 | 2 | 8 | 3.3 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)C#N | 10.1021/jm900413e | ||
| 453 | 2625 | 52 | None | -1 | 9 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 486 | 9 | 2 | 8 | 3.3 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)C#N | 10.1021/jm900413e | ||
| 6603931 | 2625 | 52 | None | -1 | 9 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 486 | 9 | 2 | 8 | 3.3 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)C#N | 10.1021/jm900413e | ||
| CHEMBL273807 | 2625 | 52 | None | -1 | 9 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 486 | 9 | 2 | 8 | 3.3 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)C#N | 10.1021/jm900413e | ||
| 76310832 | 105490 | 0 | None | -9 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 369 | 5 | 1 | 7 | 1.1 | Cn1c(=O)c2[nH]c(-c3ccc(OCCN4CCCC4)cc3)nc2n(C)c1=O | 10.1016/j.ejmech.2014.01.045 | ||
| CHEMBL3121724 | 105490 | 0 | None | -9 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 369 | 5 | 1 | 7 | 1.1 | Cn1c(=O)c2[nH]c(-c3ccc(OCCN4CCCC4)cc3)nc2n(C)c1=O | 10.1016/j.ejmech.2014.01.045 | ||
| 449 | 2625 | 52 | None | -1 | 9 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 486 | 9 | 2 | 8 | 3.3 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)C#N | 10.1021/jm011049y | ||
| 453 | 2625 | 52 | None | -1 | 9 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 486 | 9 | 2 | 8 | 3.3 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)C#N | 10.1021/jm011049y | ||
| 6603931 | 2625 | 52 | None | -1 | 9 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 486 | 9 | 2 | 8 | 3.3 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)C#N | 10.1021/jm011049y | ||
| CHEMBL273807 | 2625 | 52 | None | -1 | 9 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 486 | 9 | 2 | 8 | 3.3 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)C#N | 10.1021/jm011049y | ||
| 449 | 2625 | 52 | None | -1 | 9 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 486 | 9 | 2 | 8 | 3.3 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)C#N | 10.1021/acs.jmedchem.5b01586 | ||
| 453 | 2625 | 52 | None | -1 | 9 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 486 | 9 | 2 | 8 | 3.3 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)C#N | 10.1021/acs.jmedchem.5b01586 | ||
| 6603931 | 2625 | 52 | None | -1 | 9 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 486 | 9 | 2 | 8 | 3.3 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)C#N | 10.1021/acs.jmedchem.5b01586 | ||
| CHEMBL273807 | 2625 | 52 | None | -1 | 9 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 486 | 9 | 2 | 8 | 3.3 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)C#N | 10.1021/acs.jmedchem.5b01586 | ||
| 449 | 2625 | 52 | None | -1 | 9 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 486 | 9 | 2 | 8 | 3.3 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)C#N | 10.1021/acs.jmedchem.1c00261 | ||
| 453 | 2625 | 52 | None | -1 | 9 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 486 | 9 | 2 | 8 | 3.3 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)C#N | 10.1021/acs.jmedchem.1c00261 | ||
| 6603931 | 2625 | 52 | None | -1 | 9 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 486 | 9 | 2 | 8 | 3.3 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)C#N | 10.1021/acs.jmedchem.1c00261 | ||
| CHEMBL273807 | 2625 | 52 | None | -1 | 9 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 486 | 9 | 2 | 8 | 3.3 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)C#N | 10.1021/acs.jmedchem.1c00261 | ||
| 449 | 2625 | 52 | None | -1 | 9 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 486 | 9 | 2 | 8 | 3.3 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)C#N | 10.1021/acs.jmedchem.9b00071 | ||
| 453 | 2625 | 52 | None | -1 | 9 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 486 | 9 | 2 | 8 | 3.3 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)C#N | 10.1021/acs.jmedchem.9b00071 | ||
| 6603931 | 2625 | 52 | None | -1 | 9 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 486 | 9 | 2 | 8 | 3.3 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)C#N | 10.1021/acs.jmedchem.9b00071 | ||
| CHEMBL273807 | 2625 | 52 | None | -1 | 9 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 486 | 9 | 2 | 8 | 3.3 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)C#N | 10.1021/acs.jmedchem.9b00071 | ||
| 44185874 | 185636 | 0 | None | 20 | 5 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 524 | 7 | 2 | 8 | 2.0 | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(c5ccc(OC)cc5)CC4)cc3)[nH]c2c1=O | 10.1021/jm900413e | ||
| CHEMBL486481 | 185636 | 0 | None | 20 | 5 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 524 | 7 | 2 | 8 | 2.0 | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(c5ccc(OC)cc5)CC4)cc3)[nH]c2c1=O | 10.1021/jm900413e | ||
| 449 | 2625 | 52 | None | -1 | 9 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 486 | 9 | 2 | 8 | 3.3 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)C#N | 10.1021/jm0506221 | ||
| 453 | 2625 | 52 | None | -1 | 9 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 486 | 9 | 2 | 8 | 3.3 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)C#N | 10.1021/jm0506221 | ||
| 6603931 | 2625 | 52 | None | -1 | 9 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 486 | 9 | 2 | 8 | 3.3 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)C#N | 10.1021/jm0506221 | ||
| CHEMBL273807 | 2625 | 52 | None | -1 | 9 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 486 | 9 | 2 | 8 | 3.3 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)C#N | 10.1021/jm0506221 | ||
| 135522368 | 491 | 1 | None | 117 | 2 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 493 | 9 | 2 | 9 | 2.7 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1cc(nn1C)OCC(=O)Nc1ccc(c(c1)C)C | 10.1021/jm0309654 | ||
| 383 | 491 | 1 | None | 117 | 2 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 493 | 9 | 2 | 9 | 2.7 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1cc(nn1C)OCC(=O)Nc1ccc(c(c1)C)C | 10.1021/jm0309654 | ||
| CHEMBL33491 | 491 | 1 | None | 117 | 2 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 493 | 9 | 2 | 9 | 2.7 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1cc(nn1C)OCC(=O)Nc1ccc(c(c1)C)C | 10.1021/jm0309654 | ||
| 135522368 | 491 | 1 | None | 117 | 2 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 493 | 9 | 2 | 9 | 2.7 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1cc(nn1C)OCC(=O)Nc1ccc(c(c1)C)C | 10.1021/jm0309654 | ||
| 383 | 491 | 1 | None | 117 | 2 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 493 | 9 | 2 | 9 | 2.7 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1cc(nn1C)OCC(=O)Nc1ccc(c(c1)C)C | 10.1021/jm0309654 | ||
| CHEMBL33491 | 491 | 1 | None | 117 | 2 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 493 | 9 | 2 | 9 | 2.7 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1cc(nn1C)OCC(=O)Nc1ccc(c(c1)C)C | 10.1021/jm0309654 | ||
| 16072023 | 57982 | 0 | None | 1 | 4 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 308 | 4 | 1 | 5 | 3.4 | CC(C)C(=O)Nc1cnc(-c2ccncc2)c(-c2ccco2)n1 | 10.1021/ml100249e | ||
| CHEMBL1672614 | 57982 | 0 | None | 1 | 4 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 308 | 4 | 1 | 5 | 3.4 | CC(C)C(=O)Nc1cnc(-c2ccncc2)c(-c2ccco2)n1 | 10.1021/ml100249e | ||
| 44574166 | 178681 | 0 | None | 1 | 2 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 410 | 4 | 2 | 7 | 3.0 | Cn1c(=O)c2[nH]c(-c3ccc(COC(=O)Nc4cccs4)cc3)cc2n(C)c1=O | 10.1016/j.bmc.2009.03.062 | ||
| CHEMBL468295 | 178681 | 0 | None | 1 | 2 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 410 | 4 | 2 | 7 | 3.0 | Cn1c(=O)c2[nH]c(-c3ccc(COC(=O)Nc4cccs4)cc3)cc2n(C)c1=O | 10.1016/j.bmc.2009.03.062 | ||
| 136042341 | 71138 | 0 | None | 17 | 2 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 517 | 8 | 2 | 9 | 3.8 | CCCn1c(=O)c2[nH]c(-c3cc(OCc4nc5cc(C(F)(F)F)ccc5[nH]4)no3)nc2n(CCC)c1=O | 10.1021/jm201292w | ||
| CHEMBL1955917 | 71138 | 0 | None | 17 | 2 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 517 | 8 | 2 | 9 | 3.8 | CCCn1c(=O)c2[nH]c(-c3cc(OCc4nc5cc(C(F)(F)F)ccc5[nH]4)no3)nc2n(CCC)c1=O | 10.1021/jm201292w | ||
| 49797794 | 10556 | 0 | None | 5 | 3 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 394 | 5 | 1 | 6 | 3.8 | CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(C#N)cc3)sc12 | 10.1016/j.bmcl.2010.05.056 | ||
| CHEMBL1169934 | 10556 | 0 | None | 5 | 3 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 394 | 5 | 1 | 6 | 3.8 | CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(C#N)cc3)sc12 | 10.1016/j.bmcl.2010.05.056 | ||
| 9901196 | 188809 | 0 | None | -2 | 4 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 308 | 3 | 2 | 8 | 1.8 | Nc1nc(-c2ccco2)c2nnn(Cc3cccc(O)c3)c2n1 | 10.1021/jm800961g | ||
| CHEMBL506511 | 188809 | 0 | None | -2 | 4 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 308 | 3 | 2 | 8 | 1.8 | Nc1nc(-c2ccco2)c2nnn(Cc3cccc(O)c3)c2n1 | 10.1021/jm800961g | ||
| 11760836 | 100191 | 0 | None | 2 | 3 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 386 | 8 | 4 | 7 | -0.1 | CCCn1c(=O)[nH]c2[nH]c(-c3ccc(OCC(=O)NCCN)cc3)nc2c1=O | 10.1021/jm049513x | ||
| CHEMBL288459 | 100191 | 0 | None | 2 | 3 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 386 | 8 | 4 | 7 | -0.1 | CCCn1c(=O)[nH]c2[nH]c(-c3ccc(OCC(=O)NCCN)cc3)nc2c1=O | 10.1021/jm049513x | ||
| 11760836 | 100191 | 0 | None | 2 | 3 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 386 | 8 | 4 | 7 | -0.1 | CCCn1c(=O)[nH]c2[nH]c(-c3ccc(OCC(=O)NCCN)cc3)nc2c1=O | 10.1021/jm011049y | ||
| CHEMBL288459 | 100191 | 0 | None | 2 | 3 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 386 | 8 | 4 | 7 | -0.1 | CCCn1c(=O)[nH]c2[nH]c(-c3ccc(OCC(=O)NCCN)cc3)nc2c1=O | 10.1021/jm011049y | ||
| 2748282 | 103827 | 7 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 280 | 3 | 2 | 4 | 2.0 | CC1=C(C(=O)OC(C)C)C(c2ccco2)NC(=S)N1 | 10.1021/acs.jmedchem.0c01431 | ||
| CHEMBL3091713 | 103827 | 7 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 280 | 3 | 2 | 4 | 2.0 | CC1=C(C(=O)OC(C)C)C(c2ccco2)NC(=S)N1 | 10.1021/acs.jmedchem.0c01431 | ||
| 2748282 | 103827 | 7 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 280 | 3 | 2 | 4 | 2.0 | CC1=C(C(=O)OC(C)C)C(c2ccco2)NC(=S)N1 | 10.1021/ml400185v | ||
| CHEMBL3091713 | 103827 | 7 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 280 | 3 | 2 | 4 | 2.0 | CC1=C(C(=O)OC(C)C)C(c2ccco2)NC(=S)N1 | 10.1021/ml400185v | ||
| 136042354 | 71125 | 0 | None | 72 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 476 | 8 | 2 | 9 | 2.9 | CCCn1c(=O)c2[nH]c(-c3cc(OCc4nc5cc(C)ccc5[nH]4)nn3C)nc2n(CCC)c1=O | 10.1021/jm201292w | ||
| CHEMBL1955903 | 71125 | 0 | None | 72 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 476 | 8 | 2 | 9 | 2.9 | CCCn1c(=O)c2[nH]c(-c3cc(OCc4nc5cc(C)ccc5[nH]4)nn3C)nc2n(CCC)c1=O | 10.1021/jm201292w | ||
| 9904456 | 99120 | 0 | None | -8 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 301 | 2 | 1 | 9 | 1.6 | CSc1c2c(nc(N)n3nc(-c4ccco4)nc23)nn1C | 10.1021/jm021023m | ||
| CHEMBL281129 | 99120 | 0 | None | -8 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 301 | 2 | 1 | 9 | 1.6 | CSc1c2c(nc(N)n3nc(-c4ccco4)nc23)nn1C | 10.1021/jm021023m | ||
| 449 | 2625 | 52 | None | -1 | 9 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 486 | 9 | 2 | 8 | 3.3 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)C#N | 10.1016/j.ejmech.2012.05.033 | ||
| 453 | 2625 | 52 | None | -1 | 9 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 486 | 9 | 2 | 8 | 3.3 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)C#N | 10.1016/j.ejmech.2012.05.033 | ||
| 6603931 | 2625 | 52 | None | -1 | 9 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 486 | 9 | 2 | 8 | 3.3 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)C#N | 10.1016/j.ejmech.2012.05.033 | ||
| CHEMBL273807 | 2625 | 52 | None | -1 | 9 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 486 | 9 | 2 | 8 | 3.3 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)C#N | 10.1016/j.ejmech.2012.05.033 | ||
| 44451229 | 155173 | 0 | None | 77 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 620 | 9 | 1 | 9 | 5.0 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(c5nc6ccc(Cl)cc6s5)CC4)cc3)cc2n(CCC)c1=O | 10.1016/j.bmc.2008.01.002 | ||
| CHEMBL402474 | 155173 | 0 | None | 77 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 620 | 9 | 1 | 9 | 5.0 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(c5nc6ccc(Cl)cc6s5)CC4)cc3)cc2n(CCC)c1=O | 10.1016/j.bmc.2008.01.002 | ||
| 69030712 | 157937 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 489 | 8 | 1 | 8 | 2.9 | CCCn1c(=O)c2[nH]c(-c3cnn(CC4CC(=O)N(c5cccc(C)c5)C4)c3)nc2n(CCC)c1=O | 10.1016/j.ejmech.2016.11.007 | ||
| CHEMBL4084760 | 157937 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 489 | 8 | 1 | 8 | 2.9 | CCCn1c(=O)c2[nH]c(-c3cnn(CC4CC(=O)N(c5cccc(C)c5)C4)c3)nc2n(CCC)c1=O | 10.1016/j.ejmech.2016.11.007 | ||
| 44236419 | 159132 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 540 | 8 | 1 | 9 | 2.2 | CCCn1c(=O)c2[nH]c(-c3cnn(CC(=O)N4CCN(c5ccc(F)cc5F)CC4)c3)nc2n(CCC)c1=O | 10.1016/j.ejmech.2016.11.007 | ||
| CHEMBL4098199 | 159132 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 540 | 8 | 1 | 9 | 2.2 | CCCn1c(=O)c2[nH]c(-c3cnn(CC(=O)N4CCN(c5ccc(F)cc5F)CC4)c3)nc2n(CCC)c1=O | 10.1016/j.ejmech.2016.11.007 | ||
| 11584027 | 139533 | 0 | None | 10 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 491 | 10 | 2 | 8 | 3.4 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(OC)nc4)cc3)cc2n(CCC)c1=O | 10.1021/jm0506221 | ||
| CHEMBL379688 | 139533 | 0 | None | 10 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 491 | 10 | 2 | 8 | 3.4 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(OC)nc4)cc3)cc2n(CCC)c1=O | 10.1021/jm0506221 | ||
| 10981207 | 133500 | 0 | None | 7 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 358 | 7 | 3 | 6 | 1.3 | CCCCn1c(=O)[nH]c2[nH]c(-c3ccc(OCC(=O)O)cc3)nc2c1=O | 10.1021/jm011049y | ||
| CHEMBL37082 | 133500 | 0 | None | 7 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 358 | 7 | 3 | 6 | 1.3 | CCCCn1c(=O)[nH]c2[nH]c(-c3ccc(OCC(=O)O)cc3)nc2c1=O | 10.1021/jm011049y | ||
| 11656570 | 73381 | 0 | None | 8 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 522 | 11 | 2 | 10 | 2.8 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4cc(OC)nc(OC)n4)cc3)cc2n(CCC)c1=O | 10.1021/jm0506221 | ||
| CHEMBL201594 | 73381 | 0 | None | 8 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 522 | 11 | 2 | 10 | 2.8 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4cc(OC)nc(OC)n4)cc3)cc2n(CCC)c1=O | 10.1021/jm0506221 | ||
| 11632785 | 73507 | 0 | None | 13 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 404 | 5 | 2 | 6 | 2.3 | Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccccc4)cc3)cc2n(C)c1=O | 10.1021/jm0506221 | ||
| CHEMBL201721 | 73507 | 0 | None | 13 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 404 | 5 | 2 | 6 | 2.3 | Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccccc4)cc3)cc2n(C)c1=O | 10.1021/jm0506221 | ||
| 44451254 | 156865 | 10 | None | 912 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 592 | 5 | 1 | 9 | 4.0 | Cn1c(=O)c2[nH]c(-c3ccc(OC(C)(C)C(=O)N4CCN(c5nc6cc(Cl)ccc6s5)CC4)cc3)cc2n(C)c1=O | 10.1016/j.bmc.2008.01.002 | ||
| CHEMBL407204 | 156865 | 10 | None | 912 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 592 | 5 | 1 | 9 | 4.0 | Cn1c(=O)c2[nH]c(-c3ccc(OC(C)(C)C(=O)N4CCN(c5nc6cc(Cl)ccc6s5)CC4)cc3)cc2n(C)c1=O | 10.1016/j.bmc.2008.01.002 | ||
| 135529371 | 109158 | 0 | None | 8 | 2 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 479 | 9 | 2 | 9 | 2.3 | CCCn1c(=O)c2nc(-c3cc(NC(=O)Cc4ccc(OC)cc4)nn3C)[nH]c2n(CCC)c1=O | 10.1021/jm0309654 | ||
| CHEMBL32150 | 109158 | 0 | None | 8 | 2 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 479 | 9 | 2 | 9 | 2.3 | CCCn1c(=O)c2nc(-c3cc(NC(=O)Cc4ccc(OC)cc4)nn3C)[nH]c2n(CCC)c1=O | 10.1021/jm0309654 | ||
| 11505071 | 72555 | 0 | None | -1 | 2 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 566 | 10 | 3 | 11 | 1.7 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)c4c(NC(=O)O)n(C)c(=O)n(C)c4=O)cc3)cc2n(CCC)c1=O | 10.1021/jm0506221 | ||
| CHEMBL199280 | 72555 | 0 | None | -1 | 2 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 566 | 10 | 3 | 11 | 1.7 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)c4c(NC(=O)O)n(C)c(=O)n(C)c4=O)cc3)cc2n(CCC)c1=O | 10.1021/jm0506221 | ||
| 9844693 | 82178 | 0 | None | -10 | 3 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 414 | 7 | 2 | 6 | 2.9 | CCCn1c(=O)c2nc([C@]34CC[C@](/C=C/C(=O)O)(CC3)CC4)[nH]c2n(CCC)c1=O | 10.1021/jm0605381 | ||
| CHEMBL217076 | 82178 | 0 | None | -10 | 3 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 414 | 7 | 2 | 6 | 2.9 | CCCn1c(=O)c2nc([C@]34CC[C@](/C=C/C(=O)O)(CC3)CC4)[nH]c2n(CCC)c1=O | 10.1021/jm0605381 | ||
| 137649458 | 157123 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 438 | 6 | 2 | 8 | 2.3 | CCCn1c(=O)c2[nH]c(-c3cnn(CC#CC4(O)CCCCC4)c3)nc2n(CCC)c1=O | 10.1016/j.ejmech.2017.04.014 | ||
| CHEMBL4075201 | 157123 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 438 | 6 | 2 | 8 | 2.3 | CCCn1c(=O)c2[nH]c(-c3cnn(CC#CC4(O)CCCCC4)c3)nc2n(CCC)c1=O | 10.1016/j.ejmech.2017.04.014 | ||
| 44451165 | 158777 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 531 | 9 | 1 | 9 | 2.5 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(c5cnccn5)CC4)cc3)cc2n(CCC)c1=O | 10.1016/j.bmc.2008.01.002 | ||
| CHEMBL409440 | 158777 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 531 | 9 | 1 | 9 | 2.5 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(c5cnccn5)CC4)cc3)cc2n(CCC)c1=O | 10.1016/j.bmc.2008.01.002 | ||
| 46837563 | 10558 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 436 | 7 | 3 | 5 | 3.3 | CCCn1c(=O)[nH]c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(F)cc4)cc3)cc21 | 10.1016/j.ejmech.2010.03.011 | ||
| CHEMBL1169969 | 10558 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 436 | 7 | 3 | 5 | 3.3 | CCCn1c(=O)[nH]c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(F)cc4)cc3)cc21 | 10.1016/j.ejmech.2010.03.011 | ||
| 44406567 | 72665 | 0 | None | 6 | 3 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 528 | 8 | 1 | 10 | 3.7 | CCCn1c(=O)c2nc(-c3cnn(Cc4noc(-c5ccccc5C(F)(F)F)n4)c3)[nH]c2n(CCC)c1=O | 10.1016/j.bmcl.2005.10.002 | ||
| CHEMBL199692 | 72665 | 0 | None | 6 | 3 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 528 | 8 | 1 | 10 | 3.7 | CCCn1c(=O)c2nc(-c3cnn(Cc4noc(-c5ccccc5C(F)(F)F)n4)c3)[nH]c2n(CCC)c1=O | 10.1016/j.bmcl.2005.10.002 | ||
| 11618633 | 78095 | 0 | None | -1 | 3 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 420 | 9 | 1 | 7 | 3.2 | CCCn1c(=O)c2nc(-c3cnn(CCCc4ccccc4)c3)[nH]c2n(CCC)c1=O | 10.1021/jm051268+ | ||
| CHEMBL210319 | 78095 | 0 | None | -1 | 3 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 420 | 9 | 1 | 7 | 3.2 | CCCn1c(=O)c2nc(-c3cnn(CCCc4ccccc4)c3)[nH]c2n(CCC)c1=O | 10.1021/jm051268+ | ||
| 10193 | 2988 | 40 | None | -46 | 4 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 305 | 2 | 1 | 7 | 1.2 | Nc1nc(nc(c1Br)n1cccn1)n1cccn1 | 10.1021/acs.jmedchem.0c00237 | ||
| 53466958 | 2988 | 40 | None | -46 | 4 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 305 | 2 | 1 | 7 | 1.2 | Nc1nc(nc(c1Br)n1cccn1)n1cccn1 | 10.1021/acs.jmedchem.0c00237 | ||
| CHEMBL3638684 | 2988 | 40 | None | -46 | 4 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 305 | 2 | 1 | 7 | 1.2 | Nc1nc(nc(c1Br)n1cccn1)n1cccn1 | 10.1021/acs.jmedchem.0c00237 | ||
| CHEMBL3694769 | 2988 | 40 | None | -46 | 4 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 305 | 2 | 1 | 7 | 1.2 | Nc1nc(nc(c1Br)n1cccn1)n1cccn1 | 10.1021/acs.jmedchem.0c00237 | ||
| 155521637 | 170643 | 0 | None | -25 | 3 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 313 | 2 | 1 | 4 | 3.7 | Clc1cccc(-c2nc(N3CCCCC3)c3nc[nH]c3n2)c1 | 10.1016/j.bmc.2019.06.034 | ||
| CHEMBL4451553 | 170643 | 0 | None | -25 | 3 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 313 | 2 | 1 | 4 | 3.7 | Clc1cccc(-c2nc(N3CCCCC3)c3nc[nH]c3n2)c1 | 10.1016/j.bmc.2019.06.034 | ||
| 70686119 | 75418 | 0 | None | -1 | 2 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 338 | 5 | 3 | 5 | 2.4 | COc1cccc2cc(C(=O)NCC(O)c3ccccc3)c(=N)oc12 | 10.1016/j.ejmech.2012.05.009 | ||
| CHEMBL2042072 | 75418 | 0 | None | -1 | 2 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 338 | 5 | 3 | 5 | 2.4 | COc1cccc2cc(C(=O)NCC(O)c3ccccc3)c(=N)oc12 | 10.1016/j.ejmech.2012.05.009 | ||
| 6032251 | 75426 | 3 | None | -3 | 3 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 233 | 3 | 1 | 5 | 1.5 | COC(=O)/C(C#N)=C/c1cccc(OC)c1O | 10.1016/j.ejmech.2012.05.009 | ||
| CHEMBL2042091 | 75426 | 3 | None | -3 | 3 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 233 | 3 | 1 | 5 | 1.5 | COC(=O)/C(C#N)=C/c1cccc(OC)c1O | 10.1016/j.ejmech.2012.05.009 | ||
| 2989630 | 104007 | 13 | None | -67 | 5 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 329 | 1 | 0 | 7 | 1.1 | Cn1c(=O)c2c(nc3n2CCCN3c2ccc(F)cc2)n(C)c1=O | 10.1016/j.bmc.2013.09.044 | ||
| CHEMBL3093328 | 104007 | 13 | None | -67 | 5 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 329 | 1 | 0 | 7 | 1.1 | Cn1c(=O)c2c(nc3n2CCCN3c2ccc(F)cc2)n(C)c1=O | 10.1016/j.bmc.2013.09.044 | ||
| 137632333 | 156507 | 0 | None | -1348 | 4 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 445 | 6 | 1 | 7 | 4.1 | COc1ccc(N2CCOCC2)c2sc(NC(=O)C(C)(C)Oc3ccc(F)cc3)nc12 | 10.1021/acs.jmedchem.6b01584 | ||
| CHEMBL4068032 | 156507 | 0 | None | -1348 | 4 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 445 | 6 | 1 | 7 | 4.1 | COc1ccc(N2CCOCC2)c2sc(NC(=O)C(C)(C)Oc3ccc(F)cc3)nc12 | 10.1021/acs.jmedchem.6b01584 | ||
| 70688247 | 75414 | 0 | None | -25 | 2 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 476 | 8 | 4 | 8 | 2.7 | COc1cccc2cc(C(=O)NCCCNC(=O)c3cc4cccc(OC)c4oc3=N)c(=N)oc12 | 10.1016/j.ejmech.2012.05.009 | ||
| CHEMBL2042060 | 75414 | 0 | None | -25 | 2 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 476 | 8 | 4 | 8 | 2.7 | COc1cccc2cc(C(=O)NCCCNC(=O)c3cc4cccc(OC)c4oc3=N)c(=N)oc12 | 10.1016/j.ejmech.2012.05.009 | ||
| 70683991 | 75415 | 0 | None | -31 | 3 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 602 | 12 | 4 | 10 | 2.7 | COc1cccc2cc(C(=O)NCCCN3CCN(CCCNC(=O)c4cc5cccc(OC)c5oc4=N)CC3)c(=N)oc12 | 10.1016/j.ejmech.2012.05.009 | ||
| CHEMBL2042061 | 75415 | 0 | None | -31 | 3 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 602 | 12 | 4 | 10 | 2.7 | COc1cccc2cc(C(=O)NCCCN3CCN(CCCNC(=O)c4cc5cccc(OC)c5oc4=N)CC3)c(=N)oc12 | 10.1016/j.ejmech.2012.05.009 | ||
| 2989630 | 104007 | 13 | None | -67 | 5 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 329 | 1 | 0 | 7 | 1.1 | Cn1c(=O)c2c(nc3n2CCCN3c2ccc(F)cc2)n(C)c1=O | 10.1016/j.bmc.2013.09.044 | ||
| CHEMBL3093328 | 104007 | 13 | None | -67 | 5 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 329 | 1 | 0 | 7 | 1.1 | Cn1c(=O)c2c(nc3n2CCCN3c2ccc(F)cc2)n(C)c1=O | 10.1016/j.bmc.2013.09.044 | ||
| 11081 | 3195 | 5 | None | -30 | 6 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 378 | 3 | 1 | 7 | 1.4 | Cn1c(=O)n(C)c(=O)c2c1nc1n2CCCN1CCc1c[nH]c2c1cccc2 | 10.1016/j.bmc.2007.07.051 | ||
| 44437220 | 3195 | 5 | None | -30 | 6 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 378 | 3 | 1 | 7 | 1.4 | Cn1c(=O)n(C)c(=O)c2c1nc1n2CCCN1CCc1c[nH]c2c1cccc2 | 10.1016/j.bmc.2007.07.051 | ||
| CHEMBL239232 | 3195 | 5 | None | -30 | 6 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 378 | 3 | 1 | 7 | 1.4 | Cn1c(=O)n(C)c(=O)c2c1nc1n2CCCN1CCc1c[nH]c2c1cccc2 | 10.1016/j.bmc.2007.07.051 | ||
| 3162488 | 91115 | 10 | None | -31 | 5 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 339 | 3 | 0 | 7 | 0.9 | Cn1c(=O)c2c(nc3n2CCCN3CCc2ccccc2)n(C)c1=O | 10.1016/j.bmc.2007.07.051 | ||
| CHEMBL239864 | 91115 | 10 | None | -31 | 5 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 339 | 3 | 0 | 7 | 0.9 | Cn1c(=O)c2c(nc3n2CCCN3CCc2ccccc2)n(C)c1=O | 10.1016/j.bmc.2007.07.051 | ||
| 11003653 | 145813 | 0 | None | -2 | 4 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 389 | 4 | 0 | 8 | 1.4 | Cn1c(=O)c2c(nc3n2CCCN3CCOc2ccc(Cl)cc2)n(C)c1=O | 10.1016/j.bmc.2007.07.051 | ||
| CHEMBL391718 | 145813 | 0 | None | -2 | 4 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 389 | 4 | 0 | 8 | 1.4 | Cn1c(=O)c2c(nc3n2CCCN3CCOc2ccc(Cl)cc2)n(C)c1=O | 10.1016/j.bmc.2007.07.051 | ||
| 2519 | 776 | 86 | None | -11 | 12 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | 10.1016/j.ejmech.2018.11.045 | ||
| 407 | 776 | 86 | None | -11 | 12 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | 10.1016/j.ejmech.2018.11.045 | ||
| 463 | 776 | 86 | None | -11 | 12 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | 10.1016/j.ejmech.2018.11.045 | ||
| CHEMBL113 | 776 | 86 | None | -11 | 12 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | 10.1016/j.ejmech.2018.11.045 | ||
| DB00201 | 776 | 86 | None | -11 | 12 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | 10.1016/j.ejmech.2018.11.045 | ||
| 3280 | 4031 | 43 | None | -245 | 4 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 371 | 4 | 2 | 5 | 4.3 | COc1ccccc1NC(=O)Nc1nc(nc2c1cccc2)c1cccnc1 | 10.1021/jm0003945 | ||
| 4046493 | 4031 | 43 | None | -245 | 4 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 371 | 4 | 2 | 5 | 4.3 | COc1ccccc1NC(=O)Nc1nc(nc2c1cccc2)c1cccnc1 | 10.1021/jm0003945 | ||
| CHEMBL70880 | 4031 | 43 | None | -245 | 4 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 371 | 4 | 2 | 5 | 4.3 | COc1ccccc1NC(=O)Nc1nc(nc2c1cccc2)c1cccnc1 | 10.1021/jm0003945 | ||
| 162677251 | 183513 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 278 | 4 | 2 | 3 | 3.0 | CC1=C(C(=O)CC(C)C)C(c2ccsc2)NC(=O)N1 | 10.1021/acs.jmedchem.0c01431 | ||
| CHEMBL4800076 | 183513 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 278 | 4 | 2 | 3 | 3.0 | CC1=C(C(=O)CC(C)C)C(c2ccsc2)NC(=O)N1 | 10.1021/acs.jmedchem.0c01431 | ||
| 162643106 | 181631 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 262 | 4 | 2 | 3 | 2.5 | CC1=C(C(=O)CC(C)C)C(c2ccoc2)NC(=O)N1 | 10.1021/acs.jmedchem.0c01431 | ||
| CHEMBL4776088 | 181631 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 262 | 4 | 2 | 3 | 2.5 | CC1=C(C(=O)CC(C)C)C(c2ccoc2)NC(=O)N1 | 10.1021/acs.jmedchem.0c01431 | ||
| 162673336 | 183121 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 290 | 3 | 2 | 4 | 2.4 | CC1=C(C(=O)OC2CCCC2)C(c2ccoc2)NC(=O)N1 | 10.1021/acs.jmedchem.0c01431 | ||
| CHEMBL4795209 | 183121 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 290 | 3 | 2 | 4 | 2.4 | CC1=C(C(=O)OC2CCCC2)C(c2ccoc2)NC(=O)N1 | 10.1021/acs.jmedchem.0c01431 | ||
| 11811761 | 56520 | 0 | None | -8 | 4 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 415 | 7 | 1 | 8 | 3.7 | CCCCn1cc2c(nc(NC(=O)Cc3ccccc3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm0109614 | ||
| CHEMBL163968 | 56520 | 0 | None | -8 | 4 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 415 | 7 | 1 | 8 | 3.7 | CCCCn1cc2c(nc(NC(=O)Cc3ccccc3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm0109614 | ||
| 10927693 | 56721 | 0 | None | -3 | 4 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 408 | 3 | 2 | 8 | 3.6 | Cn1cc2c(nc(NC(=O)Nc3ccccc3Cl)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm0109614 | ||
| CHEMBL164281 | 56721 | 0 | None | -3 | 4 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 408 | 3 | 2 | 8 | 3.6 | Cn1cc2c(nc(NC(=O)Nc3ccccc3Cl)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm0109614 | ||
| 11661440 | 79824 | 0 | None | 1 | 3 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 407 | 7 | 4 | 7 | -0.1 | CCCn1c(=O)[nH]c2[nH]c(-c3ccc(S(=O)(=O)NCC(=O)O)cc3)nc2c1=O | 10.1021/jm060277v | ||
| CHEMBL212217 | 79824 | 0 | None | 1 | 3 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 407 | 7 | 4 | 7 | -0.1 | CCCn1c(=O)[nH]c2[nH]c(-c3ccc(S(=O)(=O)NCC(=O)O)cc3)nc2c1=O | 10.1021/jm060277v | ||
| 44390615 | 122603 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 554 | 9 | 1 | 9 | 5.0 | CCCn1c(=O)c2nc(-c3ccc(OCc4noc(-c5cccc(C(F)(F)F)c5)n4)cc3)[nH]c2n(CCC)c1=O | 10.1016/j.bmcl.2004.11.044 | ||
| CHEMBL360366 | 122603 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 554 | 9 | 1 | 9 | 5.0 | CCCn1c(=O)c2nc(-c3ccc(OCc4noc(-c5cccc(C(F)(F)F)c5)n4)cc3)[nH]c2n(CCC)c1=O | 10.1016/j.bmcl.2004.11.044 | ||
| 136002185 | 168156 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 480 | 9 | 2 | 10 | 1.8 | CCCn1c(=O)c2nc(-c3cc(OCC(=O)Nc4ccc(C)cn4)nn3C)[nH]c2n(CCC)c1=O | 10.1021/jm0309654 | ||
| CHEMBL433235 | 168156 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 480 | 9 | 2 | 10 | 1.8 | CCCn1c(=O)c2nc(-c3cc(OCC(=O)Nc4ccc(C)cn4)nn3C)[nH]c2n(CCC)c1=O | 10.1021/jm0309654 | ||
| 137640212 | 156942 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 274 | 3 | 2 | 5 | 1.2 | CCOC(=O)C1=C(C)N/C(=N\C#N)NC1c1ccoc1 | 10.1021/acs.jmedchem.7b00138 | ||
| CHEMBL4072891 | 156942 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 274 | 3 | 2 | 5 | 1.2 | CCOC(=O)C1=C(C)N/C(=N\C#N)NC1c1ccoc1 | 10.1021/acs.jmedchem.7b00138 | ||
| 11567017 | 79924 | 0 | None | -1 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 377 | 4 | 2 | 7 | 0.3 | CC(C)NS(=O)(=O)c1ccc(-c2nc3c(=O)n(C)c(=O)n(C)c3[nH]2)cc1 | 10.1021/jm060277v | ||
| CHEMBL212626 | 79924 | 0 | None | -1 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 377 | 4 | 2 | 7 | 0.3 | CC(C)NS(=O)(=O)c1ccc(-c2nc3c(=O)n(C)c(=O)n(C)c3[nH]2)cc1 | 10.1021/jm060277v | ||
| 11821203 | 203074 | 5 | None | -6 | 5 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 256 | 2 | 1 | 5 | 0.5 | Cn1c(=O)n(Cc2ccccc2)c(=O)c2[nH]cnc21 | 10.1021/jm0104318 | ||
| CHEMBL63944 | 203074 | 5 | None | -6 | 5 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 256 | 2 | 1 | 5 | 0.5 | Cn1c(=O)n(Cc2ccccc2)c(=O)c2[nH]cnc21 | 10.1021/jm0104318 | ||
| 11821203 | 203074 | 5 | None | -6 | 5 | Rat | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 256 | 2 | 1 | 5 | 0.5 | Cn1c(=O)n(Cc2ccccc2)c(=O)c2[nH]cnc21 | 10.1021/jm0104318 | ||
| CHEMBL63944 | 203074 | 5 | None | -6 | 5 | Rat | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 256 | 2 | 1 | 5 | 0.5 | Cn1c(=O)n(Cc2ccccc2)c(=O)c2[nH]cnc21 | 10.1021/jm0104318 | ||
| 9928335 | 120071 | 2 | None | -28 | 6 | Rat | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 349 | 4 | 1 | 3 | 3.3 | Cc1ccc(N2CCN(CC[C@H]3NC(=O)c4ccccc43)CC2)cc1C | 10.1016/s0960-894x(98)00252-2 | ||
| CHEMBL35093 | 120071 | 2 | None | -28 | 6 | Rat | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 349 | 4 | 1 | 3 | 3.3 | Cc1ccc(N2CCN(CC[C@H]3NC(=O)c4ccccc43)CC2)cc1C | 10.1016/s0960-894x(98)00252-2 | ||
| 135493272 | 111430 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 465 | 8 | 3 | 9 | 2.0 | CCCn1c(=O)c2nc(-c3cc(NC(=O)Cc4ccc(O)cc4)nn3C)[nH]c2n(CCC)c1=O | 10.1021/jm0309654 | ||
| CHEMBL32757 | 111430 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 465 | 8 | 3 | 9 | 2.0 | CCCn1c(=O)c2nc(-c3cc(NC(=O)Cc4ccc(O)cc4)nn3C)[nH]c2n(CCC)c1=O | 10.1021/jm0309654 | ||
| 135464144 | 112970 | 0 | None | -5623 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 322 | 5 | 1 | 6 | 3.0 | CCCCc1nc2[nH]cnc2c2nc(-c3ccc(OC)cc3)nn12 | 10.1021/jm010570p | ||
| CHEMBL331111 | 112970 | 0 | None | -5623 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 322 | 5 | 1 | 6 | 3.0 | CCCCc1nc2[nH]cnc2c2nc(-c3ccc(OC)cc3)nn12 | 10.1021/jm010570p | ||
| 156017083 | 177655 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 338 | 3 | 1 | 7 | 3.3 | CC1=C(C(=O)OC(C)C)C(c2ccno2)n2c(nc3ccccc32)N1 | 10.1021/acs.jmedchem.0c00564 | ||
| CHEMBL4641788 | 177655 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 338 | 3 | 1 | 7 | 3.3 | CC1=C(C(=O)OC(C)C)C(c2ccno2)n2c(nc3ccccc32)N1 | 10.1021/acs.jmedchem.0c00564 | ||
| 2519 | 776 | 86 | None | -11 | 12 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | 10.1021/jm0104318 | ||
| 407 | 776 | 86 | None | -11 | 12 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | 10.1021/jm0104318 | ||
| 463 | 776 | 86 | None | -11 | 12 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | 10.1021/jm0104318 | ||
| CHEMBL113 | 776 | 86 | None | -11 | 12 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | 10.1021/jm0104318 | ||
| DB00201 | 776 | 86 | None | -11 | 12 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | 10.1021/jm0104318 | ||
| 2519 | 776 | 86 | None | -11 | 12 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | 10.1021/jm900413e | ||
| 407 | 776 | 86 | None | -11 | 12 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | 10.1021/jm900413e | ||
| 463 | 776 | 86 | None | -11 | 12 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | 10.1021/jm900413e | ||
| CHEMBL113 | 776 | 86 | None | -11 | 12 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | 10.1021/jm900413e | ||
| DB00201 | 776 | 86 | None | -11 | 12 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | 10.1021/jm900413e | ||
| 162668237 | 182481 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 306 | 4 | 2 | 4 | 2.7 | CC1=C(C(=O)OCC2CCC2)C(c2ccsc2)NC(=O)N1 | 10.1021/acs.jmedchem.0c01431 | ||
| CHEMBL4786993 | 182481 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 306 | 4 | 2 | 4 | 2.7 | CC1=C(C(=O)OCC2CCC2)C(c2ccsc2)NC(=O)N1 | 10.1021/acs.jmedchem.0c01431 | ||
| 46837564 | 10559 | 1 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 418 | 7 | 3 | 5 | 3.1 | CCCn1c(=O)[nH]c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccccc4)cc3)cc21 | 10.1016/j.ejmech.2010.03.011 | ||
| CHEMBL1169970 | 10559 | 1 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 418 | 7 | 3 | 5 | 3.1 | CCCn1c(=O)[nH]c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccccc4)cc3)cc21 | 10.1016/j.ejmech.2010.03.011 | ||
| 52948915 | 19263 | 0 | None | 33 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 541 | 9 | 2 | 5 | 6.0 | CC(C)(NC(=O)COc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccc(F)cc3)c2c1)c1ccccc1 | 10.1016/j.bmcl.2010.10.030 | ||
| CHEMBL1290437 | 19263 | 0 | None | 33 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 541 | 9 | 2 | 5 | 6.0 | CC(C)(NC(=O)COc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccc(F)cc3)c2c1)c1ccccc1 | 10.1016/j.bmcl.2010.10.030 | ||
| 44406556 | 134336 | 0 | None | 14 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 490 | 9 | 1 | 11 | 2.7 | CCCn1c(=O)c2nc(-c3cnn(Cc4nc(-c5ccc(OC)cc5)no4)c3)[nH]c2n(CCC)c1=O | 10.1016/j.bmcl.2005.10.002 | ||
| CHEMBL371731 | 134336 | 0 | None | 14 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 490 | 9 | 1 | 11 | 2.7 | CCCn1c(=O)c2nc(-c3cnn(Cc4nc(-c5ccc(OC)cc5)no4)c3)[nH]c2n(CCC)c1=O | 10.1016/j.bmcl.2005.10.002 | ||
| 162663910 | 182033 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 246 | 3 | 2 | 3 | 1.9 | CC1=C(C(=O)C2CC2)C(c2ccco2)NC(=O)N1 | 10.1021/acs.jmedchem.0c01431 | ||
| CHEMBL4781313 | 182033 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 246 | 3 | 2 | 3 | 1.9 | CC1=C(C(=O)C2CC2)C(c2ccco2)NC(=O)N1 | 10.1021/acs.jmedchem.0c01431 | ||
| CHEMBL5070276 | 214207 | 0 | None | -16 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | None | None | None | N#Cc1c(-c2ccccc2)nc(Nc2ccccc2)nc1-c1ccccc1F | 10.1021/acs.jmedchem.1c01636 | ||||
| 10175278 | 170360 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 588 | 9 | 2 | 8 | 3.4 | CCCn1c(=O)c2nc(-c3ccc(OCC(=O)Nc4ccc(I)cc4)nc3)[nH]c2n(CCC)c1=O | 10.1021/jm0309654 | ||
| CHEMBL444787 | 170360 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 588 | 9 | 2 | 8 | 3.4 | CCCn1c(=O)c2nc(-c3ccc(OCC(=O)Nc4ccc(I)cc4)nc3)[nH]c2n(CCC)c1=O | 10.1021/jm0309654 | ||
| 10175278 | 170360 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 588 | 9 | 2 | 8 | 3.4 | CCCn1c(=O)c2nc(-c3ccc(OCC(=O)Nc4ccc(I)cc4)nc3)[nH]c2n(CCC)c1=O | 10.1021/jm0309654 | ||
| CHEMBL444787 | 170360 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 588 | 9 | 2 | 8 | 3.4 | CCCn1c(=O)c2nc(-c3ccc(OCC(=O)Nc4ccc(I)cc4)nc3)[nH]c2n(CCC)c1=O | 10.1021/jm0309654 | ||
| 127034213 | 139102 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 273 | 3 | 1 | 6 | 2.3 | CCOC(=O)C1=C(C)Nc2nccn2C1c1ccco1 | 10.1021/acs.jmedchem.5b01586 | ||
| CHEMBL3786936 | 139102 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 273 | 3 | 1 | 6 | 2.3 | CCOC(=O)C1=C(C)Nc2nccn2C1c1ccco1 | 10.1021/acs.jmedchem.5b01586 | ||
| 44520941 | 202007 | 0 | None | -275 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 309 | 4 | 2 | 6 | 2.0 | Cc1ccc(-c2cc(C(=O)NCc3ccccn3)nc(N)n2)o1 | 10.1016/j.bmc.2009.07.078 | ||
| CHEMBL608383 | 202007 | 0 | None | -275 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 309 | 4 | 2 | 6 | 2.0 | Cc1ccc(-c2cc(C(=O)NCc3ccccn3)nc(N)n2)o1 | 10.1016/j.bmc.2009.07.078 | ||
| 127043828 | 141100 | 0 | None | -1 | 7 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 538 | 15 | 0 | 9 | 4.1 | CCCCn1c(=O)c2c(nc3n2CCCN3CCc2ccc(OCCN(CC)CC)cc2)n(CCCC)c1=O | 10.1016/j.bmc.2016.07.028 | ||
| CHEMBL3827331 | 141100 | 0 | None | -1 | 7 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 538 | 15 | 0 | 9 | 4.1 | CCCCn1c(=O)c2c(nc3n2CCCN3CCc2ccc(OCCN(CC)CC)cc2)n(CCCC)c1=O | 10.1016/j.bmc.2016.07.028 | ||
| 9901260 | 190065 | 0 | None | -40 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 310 | 3 | 1 | 7 | 2.3 | Nc1nc(-c2ccco2)c2nnn(Cc3ccccc3F)c2n1 | 10.1021/jm800961g | ||
| CHEMBL517278 | 190065 | 0 | None | -40 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 310 | 3 | 1 | 7 | 2.3 | Nc1nc(-c2ccco2)c2nnn(Cc3ccccc3F)c2n1 | 10.1021/jm800961g | ||
| 168297723 | 192428 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 327 | 4 | 2 | 6 | 2.2 | CCCn1c(=O)[nH]c2nc(-c3cccc(N=C=S)c3)[nH]c2c1=O | 10.1039/d2md00132b | ||
| CHEMBL5208506 | 192428 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 327 | 4 | 2 | 6 | 2.2 | CCCn1c(=O)[nH]c2nc(-c3cccc(N=C=S)c3)[nH]c2c1=O | 10.1039/d2md00132b | ||
| 162664587 | 182037 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 292 | 3 | 2 | 4 | 2.5 | CC1=C(C(=O)OC2CCC2)C(c2cccs2)NC(=O)N1 | 10.1021/acs.jmedchem.0c01431 | ||
| CHEMBL4781342 | 182037 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 292 | 3 | 2 | 4 | 2.5 | CC1=C(C(=O)OC2CCC2)C(c2cccs2)NC(=O)N1 | 10.1021/acs.jmedchem.0c01431 | ||
| 44583035 | 172717 | 0 | None | 7 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 593 | 5 | 1 | 10 | 3.4 | Cn1c(=O)c2[nH]c(-c3ccc(OC(C)(C)C(=O)N4CCN(c5nc6cc(Cl)ccc6s5)CC4)cc3)nc2n(C)c1=O | 10.1021/jm900413e | ||
| CHEMBL450826 | 172717 | 0 | None | 7 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 593 | 5 | 1 | 10 | 3.4 | Cn1c(=O)c2[nH]c(-c3ccc(OC(C)(C)C(=O)N4CCN(c5nc6cc(Cl)ccc6s5)CC4)cc3)nc2n(C)c1=O | 10.1021/jm900413e | ||
| 9821879 | 94955 | 14 | None | 6 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 392 | 7 | 1 | 7 | 2.6 | CCCn1c(=O)c2[nH]c(-c3cnn(Cc4ccccc4)c3)nc2n(CCC)c1=O | 10.1016/j.bmcl.2008.01.008 | ||
| CHEMBL254725 | 94955 | 14 | None | 6 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 392 | 7 | 1 | 7 | 2.6 | CCCn1c(=O)c2[nH]c(-c3cnn(Cc4ccccc4)c3)nc2n(CCC)c1=O | 10.1016/j.bmcl.2008.01.008 | ||
| 21958593 | 155477 | 0 | None | 14 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 368 | 5 | 2 | 6 | 1.9 | CCCn1c(=O)[nH]c2nc(-c3cnn(Cc4cccc(F)c4)c3)[nH]c2c1=O | 10.1016/j.bmcl.2008.01.008 | ||
| CHEMBL404131 | 155477 | 0 | None | 14 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 368 | 5 | 2 | 6 | 1.9 | CCCn1c(=O)[nH]c2nc(-c3cnn(Cc4cccc(F)c4)c3)[nH]c2c1=O | 10.1016/j.bmcl.2008.01.008 | ||
| 44451254 | 156865 | 10 | None | 912 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 592 | 5 | 1 | 9 | 4.0 | Cn1c(=O)c2[nH]c(-c3ccc(OC(C)(C)C(=O)N4CCN(c5nc6cc(Cl)ccc6s5)CC4)cc3)cc2n(C)c1=O | 10.1016/j.bmc.2008.01.002 | ||
| CHEMBL407204 | 156865 | 10 | None | 912 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 592 | 5 | 1 | 9 | 4.0 | Cn1c(=O)c2[nH]c(-c3ccc(OC(C)(C)C(=O)N4CCN(c5nc6cc(Cl)ccc6s5)CC4)cc3)cc2n(C)c1=O | 10.1016/j.bmc.2008.01.002 | ||
| 11952559 | 6277 | 0 | None | 194 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 293 | 2 | 1 | 6 | 2.0 | Cn1c(=O)[nH]c2nc(-c3ccco3)c(-c3ccncn3)cc21 | 10.1016/j.bmcl.2010.01.077 | ||
| CHEMBL1081841 | 6277 | 0 | None | 194 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 293 | 2 | 1 | 6 | 2.0 | Cn1c(=O)[nH]c2nc(-c3ccco3)c(-c3ccncn3)cc21 | 10.1016/j.bmcl.2010.01.077 | ||
| 16070335 | 57988 | 0 | None | 28 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 317 | 4 | 1 | 5 | 2.9 | O=C(Nc1cnc(-c2ccncc2)c(-c2ccccn2)n1)C1CC1 | 10.1021/ml100249e | ||
| CHEMBL1672620 | 57988 | 0 | None | 28 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 317 | 4 | 1 | 5 | 2.9 | O=C(Nc1cnc(-c2ccncc2)c(-c2ccccn2)n1)C1CC1 | 10.1021/ml100249e | ||
| 16071897 | 57998 | 1 | None | 120 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 335 | 4 | 1 | 5 | 3.1 | O=C(Nc1cnc(-c2ccncc2F)c(-c2ccncc2)n1)C1CC1 | 10.1021/ml100249e | ||
| CHEMBL1672630 | 57998 | 1 | None | 120 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 335 | 4 | 1 | 5 | 3.1 | O=C(Nc1cnc(-c2ccncc2F)c(-c2ccncc2)n1)C1CC1 | 10.1021/ml100249e | ||
| 44588471 | 174692 | 0 | None | 10 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 343 | 5 | 3 | 6 | 2.4 | CCCn1c(=O)c2[nH]c(-c3ccc(O)cc3)c(O)c2n(CCC)c1=O | 10.1016/j.bmc.2008.09.067 | ||
| CHEMBL455999 | 174692 | 0 | None | 10 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 343 | 5 | 3 | 6 | 2.4 | CCCn1c(=O)c2[nH]c(-c3ccc(O)cc3)c(O)c2n(CCC)c1=O | 10.1016/j.bmc.2008.09.067 | ||
| 24827442 | 95732 | 0 | None | 22 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 460 | 6 | 1 | 7 | 3.5 | CCn1c(=O)n(CC(C)C)c(=O)c2[nH]c(-c3cnn(Cc4cccc(C(F)(F)F)c4)c3)nc21 | 10.1021/jm7014815 | ||
| CHEMBL258499 | 95732 | 0 | None | 22 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 460 | 6 | 1 | 7 | 3.5 | CCn1c(=O)n(CC(C)C)c(=O)c2[nH]c(-c3cnn(Cc4cccc(C(F)(F)F)c4)c3)nc21 | 10.1021/jm7014815 | ||
| 22266778 | 95733 | 0 | None | 38 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 446 | 6 | 1 | 7 | 3.2 | CCCCn1c(=O)c2[nH]c(-c3cnn(Cc4cccc(C(F)(F)F)c4)c3)nc2n(C)c1=O | 10.1021/jm7014815 | ||
| CHEMBL258507 | 95733 | 0 | None | 38 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 446 | 6 | 1 | 7 | 3.2 | CCCCn1c(=O)c2[nH]c(-c3cnn(Cc4cccc(C(F)(F)F)c4)c3)nc2n(C)c1=O | 10.1021/jm7014815 | ||
| 21916419 | 95946 | 0 | None | 8 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 376 | 5 | 1 | 7 | 1.7 | Cn1c(=O)n(CC2CC2)c(=O)c2[nH]c(-c3cnn(Cc4ccccc4)c3)nc21 | 10.1021/jm7014815 | ||
| CHEMBL259524 | 95946 | 0 | None | 8 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 376 | 5 | 1 | 7 | 1.7 | Cn1c(=O)n(CC2CC2)c(=O)c2[nH]c(-c3cnn(Cc4ccccc4)c3)nc21 | 10.1021/jm7014815 | ||
| 9821879 | 94955 | 14 | None | 6 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 392 | 7 | 1 | 7 | 2.6 | CCCn1c(=O)c2[nH]c(-c3cnn(Cc4ccccc4)c3)nc2n(CCC)c1=O | 10.1021/jm051268+ | ||
| CHEMBL254725 | 94955 | 14 | None | 6 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 392 | 7 | 1 | 7 | 2.6 | CCCn1c(=O)c2[nH]c(-c3cnn(Cc4ccccc4)c3)nc2n(CCC)c1=O | 10.1021/jm051268+ | ||
| 876881 | 182382 | 2 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 266 | 3 | 2 | 4 | 1.9 | CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccsc1 | 10.1021/acs.jmedchem.0c01431 | ||
| CHEMBL4785606 | 182382 | 2 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 266 | 3 | 2 | 4 | 1.9 | CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccsc1 | 10.1021/acs.jmedchem.0c01431 | ||
| 11677724 | 140665 | 0 | None | 3 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 499 | 10 | 2 | 7 | 4.1 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(CC#N)cc4)cc3)cc2n(CCC)c1=O | 10.1021/jm0506221 | ||
| CHEMBL381540 | 140665 | 0 | None | 3 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 499 | 10 | 2 | 7 | 4.1 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(CC#N)cc4)cc3)cc2n(CCC)c1=O | 10.1021/jm0506221 | ||
| 44450930 | 95787 | 0 | None | 26 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 518 | 6 | 1 | 7 | 2.9 | Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCC(C(=O)c5ccc(F)cc5)CC4)cc3)cc2n(C)c1=O | 10.1016/j.bmc.2008.01.002 | ||
| CHEMBL258810 | 95787 | 0 | None | 26 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 518 | 6 | 1 | 7 | 2.9 | Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCC(C(=O)c5ccc(F)cc5)CC4)cc3)cc2n(C)c1=O | 10.1016/j.bmc.2008.01.002 | ||
| 155527939 | 171237 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 377 | 3 | 1 | 6 | 4.0 | CC1=C(C(=O)OCC(F)(F)F)[C@@H](c2ccco2)n2c(nc3ccccc32)N1 | 10.1021/acs.jmedchem.9b01340 | ||
| CHEMBL4460214 | 171237 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 377 | 3 | 1 | 6 | 4.0 | CC1=C(C(=O)OCC(F)(F)F)[C@@H](c2ccco2)n2c(nc3ccccc32)N1 | 10.1021/acs.jmedchem.9b01340 | ||
| 127031266 | 139040 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 337 | 3 | 1 | 6 | 3.9 | CC1=C(C(=O)OC(C)C)C(c2ccoc2)n2c(nc3ccccc32)N1 | 10.1021/acs.jmedchem.0c00564 | ||
| CHEMBL3786336 | 139040 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 337 | 3 | 1 | 6 | 3.9 | CC1=C(C(=O)OC(C)C)C(c2ccoc2)n2c(nc3ccccc32)N1 | 10.1021/acs.jmedchem.0c00564 | ||
| 127031266 | 139040 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 337 | 3 | 1 | 6 | 3.9 | CC1=C(C(=O)OC(C)C)C(c2ccoc2)n2c(nc3ccccc32)N1 | 10.1021/acs.jmedchem.5b01586 | ||
| CHEMBL3786336 | 139040 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 337 | 3 | 1 | 6 | 3.9 | CC1=C(C(=O)OC(C)C)C(c2ccoc2)n2c(nc3ccccc32)N1 | 10.1021/acs.jmedchem.5b01586 | ||
| 127031266 | 139040 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 337 | 3 | 1 | 6 | 3.9 | CC1=C(C(=O)OC(C)C)C(c2ccoc2)n2c(nc3ccccc32)N1 | 10.1021/acs.jmedchem.9b01340 | ||
| CHEMBL3786336 | 139040 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 337 | 3 | 1 | 6 | 3.9 | CC1=C(C(=O)OC(C)C)C(c2ccoc2)n2c(nc3ccccc32)N1 | 10.1021/acs.jmedchem.9b01340 | ||
| 136042346 | 71145 | 0 | None | 2 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 461 | 8 | 2 | 8 | 3.2 | CCCn1c(=O)c2[nH]c(-c3cc(OCc4nc5ccccc5[nH]4)nn3C)cc2n(CCC)c1=O | 10.1021/jm201292w | ||
| CHEMBL1955924 | 71145 | 0 | None | 2 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 461 | 8 | 2 | 8 | 3.2 | CCCn1c(=O)c2[nH]c(-c3cc(OCc4nc5ccccc5[nH]4)nn3C)cc2n(CCC)c1=O | 10.1021/jm201292w | ||
| 44574191 | 189386 | 0 | None | 11 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 473 | 4 | 1 | 7 | 2.7 | Cn1c(=O)c2[nH]c(-c3ccc(COC(=O)N4CCN(c5ccccc5)CC4)cc3)cc2n(C)c1=O | 10.1016/j.bmc.2009.03.062 | ||
| CHEMBL513135 | 189386 | 0 | None | 11 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 473 | 4 | 1 | 7 | 2.7 | Cn1c(=O)c2[nH]c(-c3ccc(COC(=O)N4CCN(c5ccccc5)CC4)cc3)cc2n(C)c1=O | 10.1016/j.bmc.2009.03.062 | ||
| 145971798 | 164469 | 0 | None | 14 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 631 | 10 | 3 | 7 | 4.3 | CCCn1c(=O)[nH]c2nc(-c3ccc(OCC(=O)NCCCC4=C5C(C)=CC(C)=[N+]5[B-](F)(F)n5c(C)cc(C)c54)cc3)[nH]c2c1=O | 10.1021/acs.jmedchem.7b01627 | ||
| CHEMBL4214450 | 164469 | 0 | None | 14 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 631 | 10 | 3 | 7 | 4.3 | CCCn1c(=O)[nH]c2nc(-c3ccc(OCC(=O)NCCCC4=C5C(C)=CC(C)=[N+]5[B-](F)(F)n5c(C)cc(C)c54)cc3)[nH]c2c1=O | 10.1021/acs.jmedchem.7b01627 | ||
| 44185873 | 192463 | 0 | None | 31 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 510 | 6 | 2 | 8 | 1.6 | CCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(c5ccc(OC)cc5)CC4)cc3)[nH]c2c1=O | 10.1021/jm900413e | ||
| CHEMBL520899 | 192463 | 0 | None | 31 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 510 | 6 | 2 | 8 | 1.6 | CCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(c5ccc(OC)cc5)CC4)cc3)[nH]c2c1=O | 10.1021/jm900413e | ||
| 45268867 | 196159 | 0 | None | 12 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 519 | 11 | 2 | 9 | 2.8 | CCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(C(C)=O)cc4)cc3)nc2n(CCCOC)c1=O | 10.1016/j.bmc.2009.03.029 | ||
| CHEMBL561364 | 196159 | 0 | None | 12 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 519 | 11 | 2 | 9 | 2.8 | CCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(C(C)=O)cc4)cc3)nc2n(CCCOC)c1=O | 10.1016/j.bmc.2009.03.029 | ||
| 11519021 | 141330 | 0 | None | 223 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 504 | 9 | 2 | 8 | 3.3 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(C(=O)OCC)cc4)cc3)cc2n(C)c1=O | 10.1021/jm0506221 | ||
| CHEMBL383638 | 141330 | 0 | None | 223 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 504 | 9 | 2 | 8 | 3.3 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(C(=O)OCC)cc4)cc3)cc2n(C)c1=O | 10.1021/jm0506221 | ||
| 44451073 | 157546 | 0 | None | 4 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 553 | 9 | 1 | 7 | 3.7 | O=C(COc1ccc(-c2cc3c([nH]2)c(=O)n(CC2CC2)c(=O)n3CC2CC2)cc1)N1CCN(c2ccccc2)CC1 | 10.1016/j.bmc.2008.01.002 | ||
| CHEMBL408048 | 157546 | 0 | None | 4 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 553 | 9 | 1 | 7 | 3.7 | O=C(COc1ccc(-c2cc3c([nH]2)c(=O)n(CC2CC2)c(=O)n3CC2CC2)cc1)N1CCN(c2ccccc2)CC1 | 10.1016/j.bmc.2008.01.002 | ||
| 168297138 | 192217 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 368 | 5 | 2 | 7 | 1.1 | CCCn1c(=O)[nH]c2nc(-c3ccc(OS(=O)(=O)F)cc3)[nH]c2c1=O | 10.1039/d2md00132b | ||
| CHEMBL5205220 | 192217 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 368 | 5 | 2 | 7 | 1.1 | CCCn1c(=O)[nH]c2nc(-c3ccc(OS(=O)(=O)F)cc3)[nH]c2c1=O | 10.1039/d2md00132b | ||
| 11781054 | 206398 | 0 | None | 3 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 284 | 4 | 2 | 4 | 1.9 | CCCCn1c(=O)[nH]c2[nH]c(-c3ccccc3)nc2c1=O | 10.1021/jm0310030 | ||
| CHEMBL8789 | 206398 | 0 | None | 3 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 284 | 4 | 2 | 4 | 1.9 | CCCCn1c(=O)[nH]c2[nH]c(-c3ccccc3)nc2c1=O | 10.1021/jm0310030 | ||
| 11781054 | 206398 | 0 | None | 3 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 284 | 4 | 2 | 4 | 1.9 | CCCCn1c(=O)[nH]c2[nH]c(-c3ccccc3)nc2c1=O | 10.1021/jm011049y | ||
| CHEMBL8789 | 206398 | 0 | None | 3 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 284 | 4 | 2 | 4 | 1.9 | CCCCn1c(=O)[nH]c2[nH]c(-c3ccccc3)nc2c1=O | 10.1021/jm011049y | ||
| 44281700 | 111414 | 0 | None | 12 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 480 | 7 | 3 | 6 | 4.7 | CCCn1c(=O)c2nc(-c3ccc(NC(=O)Nc4cccc(Cl)c4)cc3)[nH]c2n(CCC)c1=O | 10.1021/jm0309654 | ||
| CHEMBL32751 | 111414 | 0 | None | 12 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 480 | 7 | 3 | 6 | 4.7 | CCCn1c(=O)c2nc(-c3ccc(NC(=O)Nc4cccc(Cl)c4)cc3)[nH]c2n(CCC)c1=O | 10.1021/jm0309654 | ||
| 137631671 | 156309 | 0 | None | -53 | 2 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 352 | 5 | 1 | 5 | 3.9 | CCCn1c(-c2cccc(OC)c2)nc2nc(C3CCCC3)[nH]c2c1=O | 10.1016/j.bmc.2017.02.029 | ||
| CHEMBL4065762 | 156309 | 0 | None | -53 | 2 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 352 | 5 | 1 | 5 | 3.9 | CCCn1c(-c2cccc(OC)c2)nc2nc(C3CCCC3)[nH]c2c1=O | 10.1016/j.bmc.2017.02.029 | ||
| 127043828 | 141100 | 0 | None | -13 | 7 | Rat | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 538 | 15 | 0 | 9 | 4.1 | CCCCn1c(=O)c2c(nc3n2CCCN3CCc2ccc(OCCN(CC)CC)cc2)n(CCCC)c1=O | 10.1016/j.bmc.2016.07.028 | ||
| CHEMBL3827331 | 141100 | 0 | None | -13 | 7 | Rat | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 538 | 15 | 0 | 9 | 4.1 | CCCCn1c(=O)c2c(nc3n2CCCN3CCc2ccc(OCCN(CC)CC)cc2)n(CCCC)c1=O | 10.1016/j.bmc.2016.07.028 | ||
| 135424850 | 78253 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 378 | 6 | 1 | 7 | 2.6 | CCCn1c(=O)c2nc(-c3ccnn3-c3ccccc3)[nH]c2n(CCC)c1=O | 10.1021/jm051268+ | ||
| CHEMBL210738 | 78253 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 378 | 6 | 1 | 7 | 2.6 | CCCn1c(=O)c2nc(-c3ccnn3-c3ccccc3)[nH]c2n(CCC)c1=O | 10.1021/jm051268+ | ||
| 2895908 | 44258 | 14 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 282 | 3 | 2 | 5 | 2.5 | CCOC(=O)C1=C(C)N=C(S)NC1c1ccsc1 | 10.1021/acs.jmedchem.0c01431 | ||
| CHEMBL1517366 | 44258 | 14 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 282 | 3 | 2 | 5 | 2.5 | CCOC(=O)C1=C(C)N=C(S)NC1c1ccsc1 | 10.1021/acs.jmedchem.0c01431 | ||
| 2895908 | 44258 | 14 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 282 | 3 | 2 | 5 | 2.5 | CCOC(=O)C1=C(C)N=C(S)NC1c1ccsc1 | 10.1021/ml400185v | ||
| CHEMBL1517366 | 44258 | 14 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 282 | 3 | 2 | 5 | 2.5 | CCOC(=O)C1=C(C)N=C(S)NC1c1ccsc1 | 10.1021/ml400185v | ||
| 156014646 | 177209 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 337 | 3 | 2 | 6 | 3.0 | CC1=C(C(=O)OC(C)C)C(c2cc[nH]n2)n2c(nc3ccccc32)N1 | 10.1021/acs.jmedchem.0c00564 | ||
| CHEMBL4635701 | 177209 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 337 | 3 | 2 | 6 | 3.0 | CC1=C(C(=O)OC(C)C)C(c2cc[nH]n2)n2c(nc3ccccc32)N1 | 10.1021/acs.jmedchem.0c00564 | ||
| 135529398 | 118252 | 0 | None | 1 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 600 | 12 | 2 | 11 | 3.8 | CCCn1c(=O)c2nc(-c3cc(NC(=O)Cc4ccc(OCc5ccc([N+](=O)[O-])cc5)cc4)nn3C)[nH]c2n(CCC)c1=O | 10.1021/jm0309654 | ||
| CHEMBL34097 | 118252 | 0 | None | 1 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 600 | 12 | 2 | 11 | 3.8 | CCCn1c(=O)c2nc(-c3cc(NC(=O)Cc4ccc(OCc5ccc([N+](=O)[O-])cc5)cc4)nn3C)[nH]c2n(CCC)c1=O | 10.1021/jm0309654 | ||
| 22266763 | 72794 | 0 | None | 20 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 493 | 8 | 1 | 9 | 3.9 | CCCn1c(=O)c2nc(-c3cnn(Cc4cc(-c5ccccc5Cl)on4)c3)[nH]c2n(CCC)c1=O | 10.1016/j.bmcl.2005.10.002 | ||
| CHEMBL200154 | 72794 | 0 | None | 20 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 493 | 8 | 1 | 9 | 3.9 | CCCn1c(=O)c2nc(-c3cnn(Cc4cc(-c5ccccc5Cl)on4)c3)[nH]c2n(CCC)c1=O | 10.1016/j.bmcl.2005.10.002 | ||
| 169317 | 1192 | 38 | None | -44 | 9 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 236 | 4 | 1 | 5 | 0.7 | CCCn1c(=O)n(CCC)c2c(c1=O)[nH]cn2 | 10.1021/jm0104318 | ||
| 427 | 1192 | 38 | None | -44 | 9 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 236 | 4 | 1 | 5 | 0.7 | CCCn1c(=O)n(CCC)c2c(c1=O)[nH]cn2 | 10.1021/jm0104318 | ||
| CHEMBL157655 | 1192 | 38 | None | -44 | 9 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 236 | 4 | 1 | 5 | 0.7 | CCCn1c(=O)n(CCC)c2c(c1=O)[nH]cn2 | 10.1021/jm0104318 | ||
| 176408 | 3531 | 84 | None | -407 | 7 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 345 | 4 | 1 | 8 | 2.6 | Nc1nc2n(CCc3ccccc3)ncc2c2n1nc(n2)c1ccco1 | 10.1021/acs.jmedchem.0c00237 | ||
| 403 | 3531 | 84 | None | -407 | 7 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 345 | 4 | 1 | 8 | 2.6 | Nc1nc2n(CCc3ccccc3)ncc2c2n1nc(n2)c1ccco1 | 10.1021/acs.jmedchem.0c00237 | ||
| 431 | 3531 | 84 | None | -407 | 7 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 345 | 4 | 1 | 8 | 2.6 | Nc1nc2n(CCc3ccccc3)ncc2c2n1nc(n2)c1ccco1 | 10.1021/acs.jmedchem.0c00237 | ||
| CHEMBL17127 | 3531 | 84 | None | -407 | 7 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 345 | 4 | 1 | 8 | 2.6 | Nc1nc2n(CCc3ccccc3)ncc2c2n1nc(n2)c1ccco1 | 10.1021/acs.jmedchem.0c00237 | ||
| 176408 | 3531 | 84 | None | -407 | 7 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 345 | 4 | 1 | 8 | 2.6 | Nc1nc2n(CCc3ccccc3)ncc2c2n1nc(n2)c1ccco1 | 10.1021/jm4011669 | ||
| 403 | 3531 | 84 | None | -407 | 7 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 345 | 4 | 1 | 8 | 2.6 | Nc1nc2n(CCc3ccccc3)ncc2c2n1nc(n2)c1ccco1 | 10.1021/jm4011669 | ||
| 431 | 3531 | 84 | None | -407 | 7 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 345 | 4 | 1 | 8 | 2.6 | Nc1nc2n(CCc3ccccc3)ncc2c2n1nc(n2)c1ccco1 | 10.1021/jm4011669 | ||
| CHEMBL17127 | 3531 | 84 | None | -407 | 7 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 345 | 4 | 1 | 8 | 2.6 | Nc1nc2n(CCc3ccccc3)ncc2c2n1nc(n2)c1ccco1 | 10.1021/jm4011669 | ||
| 13525063 | 9353 | 0 | None | - | 1 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 300 | 2 | 2 | 6 | 0.3 | Cn1c(=O)c2nc(-c3ccccc3C(=O)O)[nH]c2n(C)c1=O | 10.1021/jm0104318 | ||
| CHEMBL11146 | 9353 | 0 | None | - | 1 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 300 | 2 | 2 | 6 | 0.3 | Cn1c(=O)c2nc(-c3ccccc3C(=O)O)[nH]c2n(C)c1=O | 10.1021/jm0104318 | ||
| 10769581 | 36730 | 1 | None | -4 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 579 | 4 | 1 | 8 | 4.8 | Nc1nc2nn(CCc3cc(Br)c(Br)cc3Br)cc2c2nc(-c3ccco3)nn12 | 10.1021/jm001047y | ||
| CHEMBL144972 | 36730 | 1 | None | -4 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 579 | 4 | 1 | 8 | 4.8 | Nc1nc2nn(CCc3cc(Br)c(Br)cc3Br)cc2c2nc(-c3ccco3)nn12 | 10.1021/jm001047y | ||
| 9949541 | 96263 | 0 | None | -107 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 334 | 3 | 2 | 7 | 2.4 | Nc1nc(-c2ccco2)c2ncn(C(=O)NCc3ccccc3)c2n1 | 10.1021/jm4011669 | ||
| CHEMBL261203 | 96263 | 0 | None | -107 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 334 | 3 | 2 | 7 | 2.4 | Nc1nc(-c2ccco2)c2ncn(C(=O)NCc3ccccc3)c2n1 | 10.1021/jm4011669 | ||
| 44390522 | 64447 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 500 | 9 | 1 | 9 | 4.3 | CCCn1c(=O)c2nc(-c3ccc(OCc4nc(-c5ccccc5C)no4)cc3)[nH]c2n(CCC)c1=O | 10.1016/j.bmcl.2004.11.044 | ||
| CHEMBL181400 | 64447 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 500 | 9 | 1 | 9 | 4.3 | CCCn1c(=O)c2nc(-c3ccc(OCc4nc(-c5ccccc5C)no4)cc3)[nH]c2n(CCC)c1=O | 10.1016/j.bmcl.2004.11.044 | ||
| 52950027 | 19111 | 0 | None | -1 | 2 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 478 | 9 | 2 | 4 | 5.3 | O=C(COc1ccc2[nH]c(=O)c(-c3ccco3)c(CCc3ccccc3)c2c1)NCc1ccccc1 | 10.1016/j.bmcl.2010.10.030 | ||
| CHEMBL1289461 | 19111 | 0 | None | -1 | 2 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 478 | 9 | 2 | 4 | 5.3 | O=C(COc1ccc2[nH]c(=O)c(-c3ccco3)c(CCc3ccccc3)c2c1)NCc1ccccc1 | 10.1016/j.bmcl.2010.10.030 | ||
| 162677300 | 183514 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 275 | 2 | 2 | 4 | 2.8 | CC1=C(c2ncc(C)o2)C(c2ccsc2)NC(=O)N1 | 10.1021/acs.jmedchem.0c01431 | ||
| CHEMBL4800081 | 183514 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 275 | 2 | 2 | 4 | 2.8 | CC1=C(c2ncc(C)o2)C(c2ccsc2)NC(=O)N1 | 10.1021/acs.jmedchem.0c01431 | ||
| 145981370 | 166707 | 0 | None | -2 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 595 | 17 | 1 | 10 | 3.3 | CCCCn1c(=O)c2c(nc3n2CCCN3CCc2ccc(OCC(=O)NCCN(CC)CC)cc2)n(CCCC)c1=O | 10.1039/C8MD00070K | ||
| CHEMBL4283160 | 166707 | 0 | None | -2 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 595 | 17 | 1 | 10 | 3.3 | CCCCn1c(=O)c2c(nc3n2CCCN3CCc2ccc(OCC(=O)NCCN(CC)CC)cc2)n(CCCC)c1=O | 10.1039/C8MD00070K | ||
| 52941597 | 19060 | 0 | None | - | 1 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 357 | 5 | 1 | 4 | 2.7 | COc1ccc2[nH]c(=O)c(S(C)(=O)=O)c(CCc3ccccc3)c2c1 | 10.1016/j.bmcl.2010.10.030 | ||
| CHEMBL1289109 | 19060 | 0 | None | - | 1 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 357 | 5 | 1 | 4 | 2.7 | COc1ccc2[nH]c(=O)c(S(C)(=O)=O)c(CCc3ccccc3)c2c1 | 10.1016/j.bmcl.2010.10.030 | ||
| 21874634 | 190064 | 0 | None | -9 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 294 | 3 | 1 | 9 | 0.9 | Nc1nc(-c2ccco2)c2nnn(Cc3cnccn3)c2n1 | 10.1021/jm800961g | ||
| CHEMBL517277 | 190064 | 0 | None | -9 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 294 | 3 | 1 | 9 | 0.9 | Nc1nc(-c2ccco2)c2nnn(Cc3cnccn3)c2n1 | 10.1021/jm800961g | ||
| CHEMBL5087059 | 215045 | 0 | None | -3 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | None | None | None | Nc1nc(-c2ccccc2)c2c(n1)-c1ccc(OCCCN3CCCCC3)cc1C2=O | 10.1021/acs.jmedchem.0c00914 | ||||
| 46837702 | 10560 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 487 | 7 | 2 | 6 | 2.8 | CCCn1c(=O)[nH]c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(c5ccccc5)CC4)cc3)cc21 | 10.1016/j.ejmech.2010.03.011 | ||
| CHEMBL1169971 | 10560 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 487 | 7 | 2 | 6 | 2.8 | CCCn1c(=O)[nH]c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(c5ccccc5)CC4)cc3)cc21 | 10.1016/j.ejmech.2010.03.011 | ||
| 5053422 | 203529 | 42 | None | -1 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 296 | 3 | 0 | 6 | 1.3 | C=CCn1c(=O)c2c(nc(-c3ccccc3)n2C)n(C)c1=O | 10.1021/jm0104318 | ||
| CHEMBL66610 | 203529 | 42 | None | -1 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 296 | 3 | 0 | 6 | 1.3 | C=CCn1c(=O)c2c(nc(-c3ccccc3)n2C)n(C)c1=O | 10.1021/jm0104318 | ||
| 11638790 | 142456 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 346 | 5 | 1 | 8 | 3.3 | COc1ccc(Nc2ncc(-c3ccncn3)c(-c3ccco3)n2)cn1 | 10.1021/jm061333v | ||
| CHEMBL389040 | 142456 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 346 | 5 | 1 | 8 | 3.3 | COc1ccc(Nc2ncc(-c3ccncn3)c(-c3ccco3)n2)cn1 | 10.1021/jm061333v | ||
| 44588470 | 174690 | 0 | None | -1 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 343 | 5 | 2 | 7 | 2.4 | CCCn1c(=O)c2c(cc(-c3ccc(O)cc3)n2O)n(CCC)c1=O | 10.1016/j.bmc.2008.09.067 | ||
| CHEMBL455998 | 174690 | 0 | None | -1 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 343 | 5 | 2 | 7 | 2.4 | CCCn1c(=O)c2c(cc(-c3ccc(O)cc3)n2O)n(CCC)c1=O | 10.1016/j.bmc.2008.09.067 | ||
| 76309933 | 103829 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 278 | 3 | 1 | 4 | 2.2 | CC1=C(C(=O)OC(C)C)C(c2ccco2)NC(=O)N1C | 10.1021/acs.jmedchem.0c01431 | ||
| CHEMBL3091715 | 103829 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 278 | 3 | 1 | 4 | 2.2 | CC1=C(C(=O)OC(C)C)C(c2ccco2)NC(=O)N1C | 10.1021/acs.jmedchem.0c01431 | ||
| 76309933 | 103829 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 278 | 3 | 1 | 4 | 2.2 | CC1=C(C(=O)OC(C)C)C(c2ccco2)NC(=O)N1C | 10.1021/ml400185v | ||
| CHEMBL3091715 | 103829 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 278 | 3 | 1 | 4 | 2.2 | CC1=C(C(=O)OC(C)C)C(c2ccco2)NC(=O)N1C | 10.1021/ml400185v | ||
| 9955052 | 119857 | 0 | None | -1 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 442 | 3 | 2 | 8 | 4.2 | Cn1cc2c(nc(NC(=O)Nc3ccc(Cl)c(Cl)c3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm0109614 | ||
| CHEMBL349019 | 119857 | 0 | None | -1 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 442 | 3 | 2 | 8 | 4.2 | Cn1cc2c(nc(NC(=O)Nc3ccc(Cl)c(Cl)c3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm0109614 | ||
| 11565927 | 85341 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 317 | 4 | 1 | 8 | 2.7 | c1coc(-c2nc(Nc3cnccn3)ncc2-c2ccncn2)c1 | 10.1021/jm061333v | ||
| CHEMBL226188 | 85341 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 317 | 4 | 1 | 8 | 2.7 | c1coc(-c2nc(Nc3cnccn3)ncc2-c2ccncn2)c1 | 10.1021/jm061333v | ||
| 46228011 | 200154 | 0 | None | 2 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 364 | 6 | 1 | 6 | 2.5 | CCCn1c(=O)c2[nH]c(Cc3ccccc3)nc2n(Cc2ccco2)c1=O | 10.1016/j.bmc.2009.07.034 | ||
| CHEMBL596558 | 200154 | 0 | None | 2 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 364 | 6 | 1 | 6 | 2.5 | CCCn1c(=O)c2[nH]c(Cc3ccccc3)nc2n(Cc2ccco2)c1=O | 10.1016/j.bmc.2009.07.034 | ||
| 155548797 | 173713 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 393 | 3 | 1 | 6 | 4.5 | CCOC(=O)C1=C(C(F)(F)F)Nc2nc3ccccc3n2C1c1ccsc1 | 10.1021/acs.jmedchem.9b01340 | ||
| CHEMBL4536469 | 173713 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 393 | 3 | 1 | 6 | 4.5 | CCOC(=O)C1=C(C(F)(F)F)Nc2nc3ccccc3n2C1c1ccsc1 | 10.1021/acs.jmedchem.9b01340 | ||
| 21874756 | 190771 | 0 | None | -117 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 335 | 4 | 2 | 8 | 2.3 | CCc1cc(Cn2nnc3c(-c4ccco4)nc(N)nc32)ccc1N | 10.1021/jm800961g | ||
| CHEMBL518364 | 190771 | 0 | None | -117 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 335 | 4 | 2 | 8 | 2.3 | CCc1cc(Cn2nnc3c(-c4ccco4)nc(N)nc32)ccc1N | 10.1021/jm800961g | ||
| 10436433 | 131347 | 0 | None | -30 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 512 | 9 | 5 | 15 | -0.6 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(N)nc(N[C@H](CO)Cc5ccc(OC)cc5)nc43)[C@H](O)[C@@H]2O)n1 | 10.1021/jm031143+ | ||
| CHEMBL368880 | 131347 | 0 | None | -30 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 512 | 9 | 5 | 15 | -0.6 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(N)nc(N[C@H](CO)Cc5ccc(OC)cc5)nc43)[C@H](O)[C@@H]2O)n1 | 10.1021/jm031143+ | ||
| 44410554 | 140846 | 0 | None | -346 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 511 | 7 | 5 | 12 | 0.0 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC)nc(C#CC(O)c4cccc([N+](=O)[O-])c4)nc32)[C@H](O)[C@@H]1O | 10.1016/j.bmcl.2006.01.110 | ||
| CHEMBL381972 | 140846 | 0 | None | -346 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 511 | 7 | 5 | 12 | 0.0 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC)nc(C#CC(O)c4cccc([N+](=O)[O-])c4)nc32)[C@H](O)[C@@H]1O | 10.1016/j.bmcl.2006.01.110 | ||
| 3481963 | 38057 | 7 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 294 | 4 | 2 | 4 | 2.6 | CC1=C(C(=O)OCC(C)C)C(c2ccsc2)NC(=O)N1 | 10.1021/acs.jmedchem.0c01431 | ||
| CHEMBL1460793 | 38057 | 7 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 294 | 4 | 2 | 4 | 2.6 | CC1=C(C(=O)OCC(C)C)C(c2ccsc2)NC(=O)N1 | 10.1021/acs.jmedchem.0c01431 | ||
| 16720104 | 85233 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 386 | 6 | 1 | 8 | 3.5 | O=c1ccc(Nc2ncc(-c3ccncn3)c(-c3ccco3)n2)cn1CC1CC1 | 10.1021/jm061333v | ||
| CHEMBL225982 | 85233 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 386 | 6 | 1 | 8 | 3.5 | O=c1ccc(Nc2ncc(-c3ccncn3)c(-c3ccco3)n2)cn1CC1CC1 | 10.1021/jm061333v | ||
| 71680890 | 90186 | 0 | None | -2 | 6 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 322 | 4 | 1 | 4 | 3.7 | O=C(C/C=C/c1ccccc1)Nc1nc2ccccc2c(=O)s1 | 10.1021/jm400336x | ||
| CHEMBL2382438 | 90186 | 0 | None | -2 | 6 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 322 | 4 | 1 | 4 | 3.7 | O=C(C/C=C/c1ccccc1)Nc1nc2ccccc2c(=O)s1 | 10.1021/jm400336x | ||
| 162669248 | 182585 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 264 | 4 | 2 | 4 | 1.9 | CCCOC(=O)C1=C(C)NC(=O)NC1c1ccoc1 | 10.1021/acs.jmedchem.0c01431 | ||
| CHEMBL4788318 | 182585 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 264 | 4 | 2 | 4 | 1.9 | CCCOC(=O)C1=C(C)NC(=O)NC1c1ccoc1 | 10.1021/acs.jmedchem.0c01431 | ||
| 135443367 | 486 | 0 | None | 22 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 534 | 9 | 1 | 10 | 1.8 | CCCn1c2[nH]c(nc2c(=O)n(c1=O)CCC)c1cc(nn1C)OCC(=O)N1CCN(CC1)c1ccccc1 | 10.1021/jm0309654 | ||
| 382 | 486 | 0 | None | 22 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 534 | 9 | 1 | 10 | 1.8 | CCCn1c2[nH]c(nc2c(=O)n(c1=O)CCC)c1cc(nn1C)OCC(=O)N1CCN(CC1)c1ccccc1 | 10.1021/jm0309654 | ||
| CHEMBL33455 | 486 | 0 | None | 22 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 534 | 9 | 1 | 10 | 1.8 | CCCn1c2[nH]c(nc2c(=O)n(c1=O)CCC)c1cc(nn1C)OCC(=O)N1CCN(CC1)c1ccccc1 | 10.1021/jm0309654 | ||
| 135493279 | 100354 | 0 | None | 5 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 483 | 9 | 2 | 9 | 2.3 | CCCn1c(=O)c2nc(-c3cc(OCC(=O)Nc4ccc(F)cc4)nn3C)[nH]c2n(CCC)c1=O | 10.1021/jm0309654 | ||
| CHEMBL289903 | 100354 | 0 | None | 5 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 483 | 9 | 2 | 9 | 2.3 | CCCn1c(=O)c2nc(-c3cc(OCC(=O)Nc4ccc(F)cc4)nn3C)[nH]c2n(CCC)c1=O | 10.1021/jm0309654 | ||
| 135522375 | 114230 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 525 | 11 | 2 | 11 | 2.1 | CCCn1c(=O)c2nc(-c3cc(OCC(=O)Nc4ccc(OC)c(OC)c4)nn3C)[nH]c2n(CCC)c1=O | 10.1021/jm0309654 | ||
| CHEMBL33305 | 114230 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 525 | 11 | 2 | 11 | 2.1 | CCCn1c(=O)c2nc(-c3cc(OCC(=O)Nc4ccc(OC)c(OC)c4)nn3C)[nH]c2n(CCC)c1=O | 10.1021/jm0309654 | ||
| 135443367 | 486 | 0 | None | 22 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 534 | 9 | 1 | 10 | 1.8 | CCCn1c2[nH]c(nc2c(=O)n(c1=O)CCC)c1cc(nn1C)OCC(=O)N1CCN(CC1)c1ccccc1 | 10.1021/jm0309654 | ||
| 382 | 486 | 0 | None | 22 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 534 | 9 | 1 | 10 | 1.8 | CCCn1c2[nH]c(nc2c(=O)n(c1=O)CCC)c1cc(nn1C)OCC(=O)N1CCN(CC1)c1ccccc1 | 10.1021/jm0309654 | ||
| CHEMBL33455 | 486 | 0 | None | 22 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 534 | 9 | 1 | 10 | 1.8 | CCCn1c2[nH]c(nc2c(=O)n(c1=O)CCC)c1cc(nn1C)OCC(=O)N1CCN(CC1)c1ccccc1 | 10.1021/jm0309654 | ||
| 135493279 | 100354 | 0 | None | 5 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 483 | 9 | 2 | 9 | 2.3 | CCCn1c(=O)c2nc(-c3cc(OCC(=O)Nc4ccc(F)cc4)nn3C)[nH]c2n(CCC)c1=O | 10.1021/jm0309654 | ||
| CHEMBL289903 | 100354 | 0 | None | 5 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 483 | 9 | 2 | 9 | 2.3 | CCCn1c(=O)c2nc(-c3cc(OCC(=O)Nc4ccc(F)cc4)nn3C)[nH]c2n(CCC)c1=O | 10.1021/jm0309654 | ||
| 135522375 | 114230 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 525 | 11 | 2 | 11 | 2.1 | CCCn1c(=O)c2nc(-c3cc(OCC(=O)Nc4ccc(OC)c(OC)c4)nn3C)[nH]c2n(CCC)c1=O | 10.1021/jm0309654 | ||
| CHEMBL33305 | 114230 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 525 | 11 | 2 | 11 | 2.1 | CCCn1c(=O)c2nc(-c3cc(OCC(=O)Nc4ccc(OC)c(OC)c4)nn3C)[nH]c2n(CCC)c1=O | 10.1021/jm0309654 | ||
| 10926253 | 81029 | 0 | None | 1 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 353 | 2 | 1 | 10 | 0.6 | CN1CCN(c2c3c(nc(N)n4nc(-c5ccco5)nc34)nn2C)CC1 | 10.1021/jm021023m | ||
| CHEMBL21541 | 81029 | 0 | None | 1 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 353 | 2 | 1 | 10 | 0.6 | CN1CCN(c2c3c(nc(N)n4nc(-c5ccco5)nc34)nn2C)CC1 | 10.1021/jm021023m | ||
| CHEMBL553587 | 81029 | 0 | None | 1 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 353 | 2 | 1 | 10 | 0.6 | CN1CCN(c2c3c(nc(N)n4nc(-c5ccco5)nc34)nn2C)CC1 | 10.1021/jm021023m | ||
| 10852375 | 37521 | 0 | None | -15 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 309 | 3 | 1 | 8 | 2.3 | CC(C)=CCn1cc2c(nc(N)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm001047y | ||
| CHEMBL145623 | 37521 | 0 | None | -15 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 309 | 3 | 1 | 8 | 2.3 | CC(C)=CCn1cc2c(nc(N)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm001047y | ||
| 44236850 | 156130 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 582 | 8 | 1 | 9 | 3.4 | CCCn1c(=O)c2[nH]c(-c3cnn(CC#CCN4CCN(c5cccc(C(F)(F)F)c5)CC4)c3)nc2n(CCC)c1=O | 10.1016/j.ejmech.2017.04.014 | ||
| CHEMBL4063759 | 156130 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 582 | 8 | 1 | 9 | 3.4 | CCCn1c(=O)c2[nH]c(-c3cnn(CC#CCN4CCN(c5cccc(C(F)(F)F)c5)CC4)c3)nc2n(CCC)c1=O | 10.1016/j.ejmech.2017.04.014 | ||
| 57429608 | 156641 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 470 | 5 | 1 | 7 | 3.3 | CCCn1c(=O)c2[nH]c(-c3cnn(CC#Cc4ccc(C(F)(F)F)cc4)c3)nc2n(CC)c1=O | 10.1016/j.ejmech.2017.04.014 | ||
| CHEMBL4069518 | 156641 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 470 | 5 | 1 | 7 | 3.3 | CCCn1c(=O)c2[nH]c(-c3cnn(CC#Cc4ccc(C(F)(F)F)cc4)c3)nc2n(CC)c1=O | 10.1016/j.ejmech.2017.04.014 | ||
| 44236506 | 159416 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 474 | 7 | 1 | 9 | 2.4 | CCCn1c(=O)c2[nH]c(-c3cnn(CC#Cc4ccccc4C(=O)OC)c3)nc2n(CCC)c1=O | 10.1016/j.ejmech.2017.04.014 | ||
| CHEMBL4101147 | 159416 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 474 | 7 | 1 | 9 | 2.4 | CCCn1c(=O)c2[nH]c(-c3cnn(CC#Cc4ccccc4C(=O)OC)c3)nc2n(CCC)c1=O | 10.1016/j.ejmech.2017.04.014 | ||
| 66892867 | 156295 | 0 | None | 27 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 479 | 7 | 1 | 8 | 2.4 | CCCn1c(=O)c2[nH]c(-c3cnn(CC4CC(=O)N(c5ccc(F)cc5)C4)c3)nc2n(CC)c1=O | 10.1016/j.ejmech.2016.11.007 | ||
| CHEMBL4065629 | 156295 | 0 | None | 27 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 479 | 7 | 1 | 8 | 2.4 | CCCn1c(=O)c2[nH]c(-c3cnn(CC4CC(=O)N(c5ccc(F)cc5)C4)c3)nc2n(CC)c1=O | 10.1016/j.ejmech.2016.11.007 | ||
| 66892710 | 157512 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 475 | 8 | 1 | 8 | 3.4 | CCCn1c(=O)c2[nH]c(-c3cnn(CC4CCN(c5ccc(C)cc5)C4)c3)nc2n(CCC)c1=O | 10.1016/j.ejmech.2016.11.007 | ||
| CHEMBL4080098 | 157512 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 475 | 8 | 1 | 8 | 3.4 | CCCn1c(=O)c2[nH]c(-c3cnn(CC4CCN(c5ccc(C)cc5)C4)c3)nc2n(CCC)c1=O | 10.1016/j.ejmech.2016.11.007 | ||
| 22266742 | 94538 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 431 | 6 | 2 | 8 | 2.6 | CC(C)Cn1c(=O)[nH]c2nc(-c3cnn(Cc4cc(-c5ccccc5)on4)c3)[nH]c2c1=O | 10.1016/j.bmcl.2008.01.008 | ||
| CHEMBL251880 | 94538 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 431 | 6 | 2 | 8 | 2.6 | CC(C)Cn1c(=O)[nH]c2nc(-c3cnn(Cc4cc(-c5ccccc5)on4)c3)[nH]c2c1=O | 10.1016/j.bmcl.2008.01.008 | ||
| 16072024 | 57986 | 0 | None | 8 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 348 | 5 | 1 | 5 | 4.3 | O=C(CC1CCCC1)Nc1cnc(-c2ccncc2)c(-c2ccco2)n1 | 10.1021/ml100249e | ||
| CHEMBL1672618 | 57986 | 0 | None | 8 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 348 | 5 | 1 | 5 | 4.3 | O=C(CC1CCCC1)Nc1cnc(-c2ccncc2)c(-c2ccco2)n1 | 10.1021/ml100249e | ||
| 50940964 | 57248 | 0 | None | -3 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 269 | 3 | 1 | 5 | 3.0 | CC(=O)Nc1cc(-c2ccco2)nc(-c2ccco2)n1 | 10.1021/jm100843z | ||
| CHEMBL1650384 | 57248 | 0 | None | -3 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 269 | 3 | 1 | 5 | 3.0 | CC(=O)Nc1cc(-c2ccco2)nc(-c2ccco2)n1 | 10.1021/jm100843z | ||
| 136042329 | 71126 | 0 | None | 41 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 534 | 10 | 2 | 11 | 2.7 | CCCn1c(=O)c2[nH]c(-c3cc(OCc4nc5cc(C(=O)OCC)ccc5[nH]4)nn3C)nc2n(CCC)c1=O | 10.1021/jm201292w | ||
| CHEMBL1955904 | 71126 | 0 | None | 41 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 534 | 10 | 2 | 11 | 2.7 | CCCn1c(=O)c2[nH]c(-c3cc(OCc4nc5cc(C(=O)OCC)ccc5[nH]4)nn3C)nc2n(CCC)c1=O | 10.1021/jm201292w | ||
| 135493279 | 100354 | 0 | None | 5 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 483 | 9 | 2 | 9 | 2.3 | CCCn1c(=O)c2nc(-c3cc(OCC(=O)Nc4ccc(F)cc4)nn3C)[nH]c2n(CCC)c1=O | 10.1021/jm201292w | ||
| CHEMBL289903 | 100354 | 0 | None | 5 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 483 | 9 | 2 | 9 | 2.3 | CCCn1c(=O)c2nc(-c3cc(OCC(=O)Nc4ccc(F)cc4)nn3C)[nH]c2n(CCC)c1=O | 10.1021/jm201292w | ||
| 135874420 | 161278 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 479 | 9 | 2 | 9 | 2.5 | CCCn1c(=O)c2[nH]c(-c3cc(C)n(CC(=O)Nc4ccc(OC)cc4)n3)nc2n(CCC)c1=O | 10.1016/j.bmc.2007.11.058 | ||
| CHEMBL412284 | 161278 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 479 | 9 | 2 | 9 | 2.5 | CCCn1c(=O)c2[nH]c(-c3cc(C)n(CC(=O)Nc4ccc(OC)cc4)n3)nc2n(CCC)c1=O | 10.1016/j.bmc.2007.11.058 | ||
| 52946453 | 19191 | 0 | None | 3 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 521 | 9 | 2 | 5 | 5.6 | O=C(COc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccccc3)c2c1)NC1(c2ccccc2)CC1 | 10.1016/j.bmcl.2010.10.030 | ||
| CHEMBL1290001 | 19191 | 0 | None | 3 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 521 | 9 | 2 | 5 | 5.6 | O=C(COc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccccc3)c2c1)NC1(c2ccccc2)CC1 | 10.1016/j.bmcl.2010.10.030 | ||
| 11720113 | 74203 | 0 | None | 1 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 490 | 10 | 2 | 7 | 4.0 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(OC)cc4)cc3)cc2n(CCC)c1=O | 10.1021/jm0506221 | ||
| CHEMBL202358 | 74203 | 0 | None | 1 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 490 | 10 | 2 | 7 | 4.0 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(OC)cc4)cc3)cc2n(CCC)c1=O | 10.1021/jm0506221 | ||
| 3909843 | 138947 | 14 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 323 | 3 | 1 | 6 | 3.5 | CCOC(=O)C1=C(C)Nc2nc3ccccc3n2C1c1ccco1 | 10.1021/acs.jmedchem.0c00564 | ||
| CHEMBL3785290 | 138947 | 14 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 323 | 3 | 1 | 6 | 3.5 | CCOC(=O)C1=C(C)Nc2nc3ccccc3n2C1c1ccco1 | 10.1021/acs.jmedchem.0c00564 | ||
| 3909843 | 138947 | 14 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 323 | 3 | 1 | 6 | 3.5 | CCOC(=O)C1=C(C)Nc2nc3ccccc3n2C1c1ccco1 | 10.1021/acs.jmedchem.5b01586 | ||
| CHEMBL3785290 | 138947 | 14 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 323 | 3 | 1 | 6 | 3.5 | CCOC(=O)C1=C(C)Nc2nc3ccccc3n2C1c1ccco1 | 10.1021/acs.jmedchem.5b01586 | ||
| 3909843 | 138947 | 14 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 323 | 3 | 1 | 6 | 3.5 | CCOC(=O)C1=C(C)Nc2nc3ccccc3n2C1c1ccco1 | 10.1021/acs.jmedchem.9b01340 | ||
| CHEMBL3785290 | 138947 | 14 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 323 | 3 | 1 | 6 | 3.5 | CCOC(=O)C1=C(C)Nc2nc3ccccc3n2C1c1ccco1 | 10.1021/acs.jmedchem.9b01340 | ||
| 155545585 | 173432 | 0 | None | 19 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 568 | 10 | 3 | 9 | 1.4 | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc(OCCO)cc5)CC4)cc3)[nH]c2c1=O | 10.1021/acs.jmedchem.9b00071 | ||
| CHEMBL4529435 | 173432 | 0 | None | 19 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 568 | 10 | 3 | 9 | 1.4 | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc(OCCO)cc5)CC4)cc3)[nH]c2c1=O | 10.1021/acs.jmedchem.9b00071 | ||
| 11561073 | 74727 | 0 | None | 13 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 432 | 7 | 2 | 6 | 3.1 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccccc4)cc3)cc2n(C)c1=O | 10.1021/jm0506221 | ||
| CHEMBL203088 | 74727 | 0 | None | 13 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 432 | 7 | 2 | 6 | 3.1 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccccc4)cc3)cc2n(C)c1=O | 10.1021/jm0506221 | ||
| 11693081 | 138402 | 0 | None | 34 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 637 | 14 | 3 | 8 | 5.0 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(C(=O)NCCc5ccc(OC)cc5)cc4)cc3)cc2n(CCC)c1=O | 10.1021/jm0506221 | ||
| CHEMBL377434 | 138402 | 0 | None | 34 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 637 | 14 | 3 | 8 | 5.0 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(C(=O)NCCc5ccc(OC)cc5)cc4)cc3)cc2n(CCC)c1=O | 10.1021/jm0506221 | ||
| 44450931 | 96008 | 0 | None | 64 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 472 | 5 | 1 | 6 | 3.0 | Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCC(c5ccccc5)CC4)cc3)cc2n(C)c1=O | 10.1016/j.bmc.2008.01.002 | ||
| CHEMBL259869 | 96008 | 0 | None | 64 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 472 | 5 | 1 | 6 | 3.0 | Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCC(c5ccccc5)CC4)cc3)cc2n(C)c1=O | 10.1016/j.bmc.2008.01.002 | ||
| 11525776 | 73382 | 0 | None | 21 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 475 | 9 | 2 | 7 | 3.7 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(C)cn4)cc3)cc2n(CCC)c1=O | 10.1021/jm0506221 | ||
| CHEMBL201595 | 73382 | 0 | None | 21 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 475 | 9 | 2 | 7 | 3.7 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(C)cn4)cc3)cc2n(CCC)c1=O | 10.1021/jm0506221 | ||
| 11548559 | 74208 | 0 | None | 1 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 556 | 9 | 2 | 6 | 4.9 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(F)cc4)cc3)c(Br)c2n(CCC)c1=O | 10.1021/jm0506221 | ||
| CHEMBL202359 | 74208 | 0 | None | 1 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 556 | 9 | 2 | 6 | 4.9 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(F)cc4)cc3)c(Br)c2n(CCC)c1=O | 10.1021/jm0506221 | ||
| 449 | 2625 | 52 | None | -9 | 9 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 486 | 9 | 2 | 8 | 3.3 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)C#N | 10.1021/acs.jmedchem.9b00071 | ||
| 453 | 2625 | 52 | None | -9 | 9 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 486 | 9 | 2 | 8 | 3.3 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)C#N | 10.1021/acs.jmedchem.9b00071 | ||
| 6603931 | 2625 | 52 | None | -9 | 9 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 486 | 9 | 2 | 8 | 3.3 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)C#N | 10.1021/acs.jmedchem.9b00071 | ||
| CHEMBL273807 | 2625 | 52 | None | -9 | 9 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 486 | 9 | 2 | 8 | 3.3 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)C#N | 10.1021/acs.jmedchem.9b00071 | ||
| 449 | 2625 | 52 | None | -9 | 9 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 486 | 9 | 2 | 8 | 3.3 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)C#N | 10.1021/jm900413e | ||
| 453 | 2625 | 52 | None | -9 | 9 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 486 | 9 | 2 | 8 | 3.3 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)C#N | 10.1021/jm900413e | ||
| 6603931 | 2625 | 52 | None | -9 | 9 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 486 | 9 | 2 | 8 | 3.3 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)C#N | 10.1021/jm900413e | ||
| CHEMBL273807 | 2625 | 52 | None | -9 | 9 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 486 | 9 | 2 | 8 | 3.3 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)C#N | 10.1021/jm900413e | ||
| 136414902 | 159690 | 0 | None | 34 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 560 | 9 | 1 | 9 | 3.8 | CCCn1c(=O)c2[nH]c(-c3cc(OCC4CC(=O)N(c5ccc(C(F)(F)F)cc5)C4)no3)nc2n(CCC)c1=O | 10.1016/j.ejmech.2016.11.007 | ||
| CHEMBL4104450 | 159690 | 0 | None | 34 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 560 | 9 | 1 | 9 | 3.8 | CCCn1c(=O)c2[nH]c(-c3cc(OCC4CC(=O)N(c5ccc(C(F)(F)F)cc5)C4)no3)nc2n(CCC)c1=O | 10.1016/j.ejmech.2016.11.007 | ||
| 449 | 2625 | 52 | None | -9 | 9 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 486 | 9 | 2 | 8 | 3.3 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)C#N | 10.1021/jm0104318 | ||
| 453 | 2625 | 52 | None | -9 | 9 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 486 | 9 | 2 | 8 | 3.3 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)C#N | 10.1021/jm0104318 | ||
| 6603931 | 2625 | 52 | None | -9 | 9 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 486 | 9 | 2 | 8 | 3.3 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)C#N | 10.1021/jm0104318 | ||
| CHEMBL273807 | 2625 | 52 | None | -9 | 9 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 486 | 9 | 2 | 8 | 3.3 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)C#N | 10.1021/jm0104318 | ||
| 46228006 | 199675 | 0 | None | 2 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 364 | 5 | 0 | 7 | 2.1 | CCn1c(=O)c2c(nc(Cc3ccccc3)n2C)n(Cc2ccco2)c1=O | 10.1016/j.bmc.2009.07.034 | ||
| CHEMBL593217 | 199675 | 0 | None | 2 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 364 | 5 | 0 | 7 | 2.1 | CCn1c(=O)c2c(nc(Cc3ccccc3)n2C)n(Cc2ccco2)c1=O | 10.1016/j.bmc.2009.07.034 | ||
| 137647216 | 157755 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 423 | 7 | 1 | 8 | 1.7 | CCCn1c(=O)c2[nH]c(-c3cnn(CC#CCN4CCCC4)c3)nc2n(CCC)c1=O | 10.1016/j.ejmech.2017.04.014 | ||
| CHEMBL4082841 | 157755 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 423 | 7 | 1 | 8 | 1.7 | CCCn1c(=O)c2[nH]c(-c3cnn(CC#CCN4CCCC4)c3)nc2n(CCC)c1=O | 10.1016/j.ejmech.2017.04.014 | ||
| 22266753 | 96768 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 260 | 2 | 2 | 6 | -0.2 | CCn1c(=O)c2[nH]c(-c3cn[nH]c3)nc2n(C)c1=O | 10.1021/jm7014815 | ||
| CHEMBL264952 | 96768 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 260 | 2 | 2 | 6 | -0.2 | CCn1c(=O)c2[nH]c(-c3cn[nH]c3)nc2n(C)c1=O | 10.1021/jm7014815 | ||
| 46228003 | 199995 | 0 | None | 3 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 356 | 5 | 1 | 7 | 2.2 | CCn1c(=O)c2[nH]c(Cc3cccs3)nc2n(Cc2ccco2)c1=O | 10.1016/j.bmc.2009.07.034 | ||
| CHEMBL595431 | 199995 | 0 | None | 3 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 356 | 5 | 1 | 7 | 2.2 | CCn1c(=O)c2[nH]c(Cc3cccs3)nc2n(Cc2ccco2)c1=O | 10.1016/j.bmc.2009.07.034 | ||
| 11381738 | 195025 | 0 | None | -19 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 324 | 5 | 2 | 6 | 2.3 | COc1cccc(CNC(=O)c2cc(-c3ccco3)nc(N)n2)c1 | 10.1016/j.bmcl.2009.03.142 | ||
| CHEMBL549477 | 195025 | 0 | None | -19 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 324 | 5 | 2 | 6 | 2.3 | COc1cccc(CNC(=O)c2cc(-c3ccco3)nc(N)n2)c1 | 10.1016/j.bmcl.2009.03.142 | ||
| 10918042 | 120058 | 0 | None | -4 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 494 | 6 | 2 | 8 | 4.9 | CCCCn1cc2c(nc(NC(=O)Nc3ccc(Br)cc3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm0109614 | ||
| CHEMBL350830 | 120058 | 0 | None | -4 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 494 | 6 | 2 | 8 | 4.9 | CCCCn1cc2c(nc(NC(=O)Nc3ccc(Br)cc3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm0109614 | ||
| 44406398 | 72955 | 0 | None | 30 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 527 | 8 | 1 | 9 | 4.3 | CCCn1c(=O)c2nc(-c3cnn(Cc4cc(-c5ccccc5C(F)(F)F)on4)c3)[nH]c2n(CCC)c1=O | 10.1016/j.bmcl.2005.10.002 | ||
| CHEMBL200739 | 72955 | 0 | None | 30 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 527 | 8 | 1 | 9 | 4.3 | CCCn1c(=O)c2nc(-c3cnn(Cc4cc(-c5ccccc5C(F)(F)F)on4)c3)[nH]c2n(CCC)c1=O | 10.1016/j.bmcl.2005.10.002 | ||
| 9805713 | 162822 | 0 | None | -2238 | 6 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 493 | 5 | 4 | 8 | 1.3 | OC[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(I)c4)ncnc31)[C@H](O)[C@@H]2O | 10.1021/jm9905965 | ||
| CHEMBL417292 | 162822 | 0 | None | -2238 | 6 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 493 | 5 | 4 | 8 | 1.3 | OC[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(I)c4)ncnc31)[C@H](O)[C@@H]2O | 10.1021/jm9905965 | ||
| 135522362 | 99993 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 472 | 8 | 1 | 10 | 0.3 | CCCn1c(=O)c2nc(-c3cc(OCC(=O)N4CCN(C)CC4)nn3C)[nH]c2n(CCC)c1=O | 10.1021/jm0309654 | ||
| CHEMBL286838 | 99993 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 472 | 8 | 1 | 10 | 0.3 | CCCn1c(=O)c2nc(-c3cc(OCC(=O)N4CCN(C)CC4)nn3C)[nH]c2n(CCC)c1=O | 10.1021/jm0309654 | ||
| 11531253 | 77336 | 0 | None | -4 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 391 | 6 | 2 | 7 | 0.7 | CCCCNS(=O)(=O)c1ccc(-c2nc3c(=O)n(C)c(=O)n(C)c3[nH]2)cc1 | 10.1021/jm060277v | ||
| CHEMBL208550 | 77336 | 0 | None | -4 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 391 | 6 | 2 | 7 | 0.7 | CCCCNS(=O)(=O)c1ccc(-c2nc3c(=O)n(C)c(=O)n(C)c3[nH]2)cc1 | 10.1021/jm060277v | ||
| 21874685 | 188872 | 0 | None | -64 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 292 | 3 | 1 | 7 | 2.1 | Nc1nc(-c2ccco2)c2nnn(Cc3ccccc3)c2n1 | 10.1021/jm800961g | ||
| CHEMBL507426 | 188872 | 0 | None | -64 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 292 | 3 | 1 | 7 | 2.1 | Nc1nc(-c2ccco2)c2nnn(Cc3ccccc3)c2n1 | 10.1021/jm800961g | ||
| 44406570 | 72819 | 0 | None | 18 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 490 | 9 | 1 | 11 | 2.7 | CCCn1c(=O)c2nc(-c3cnn(Cc4noc(-c5ccc(OC)cc5)n4)c3)[nH]c2n(CCC)c1=O | 10.1016/j.bmcl.2005.10.002 | ||
| CHEMBL200230 | 72819 | 0 | None | 18 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 490 | 9 | 1 | 11 | 2.7 | CCCn1c(=O)c2nc(-c3cnn(Cc4noc(-c5ccc(OC)cc5)n4)c3)[nH]c2n(CCC)c1=O | 10.1016/j.bmcl.2005.10.002 | ||
| 9857735 | 189803 | 0 | None | -61 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 307 | 3 | 2 | 8 | 1.7 | Nc1nc(-c2ccco2)c2nnn(Cc3ccccc3N)c2n1 | 10.1021/jm800961g | ||
| CHEMBL516483 | 189803 | 0 | None | -61 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 307 | 3 | 2 | 8 | 1.7 | Nc1nc(-c2ccco2)c2nnn(Cc3ccccc3N)c2n1 | 10.1021/jm800961g | ||
| 11503979 | 73377 | 0 | None | 1 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 482 | 7 | 2 | 7 | 2.6 | COc1cc(OCC(=O)NCc2ccc(Cl)cc2)ccc1-c1cc2c([nH]1)c(=O)n(C)c(=O)n2C | 10.1021/jm0506221 | ||
| CHEMBL201580 | 73377 | 0 | None | 1 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 482 | 7 | 2 | 7 | 2.6 | COc1cc(OCC(=O)NCc2ccc(Cl)cc2)ccc1-c1cc2c([nH]1)c(=O)n(C)c(=O)n2C | 10.1021/jm0506221 | ||
| 11645609 | 141019 | 0 | None | 33 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 329 | 4 | 2 | 6 | 0.7 | Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)O)cc3)cc2n(C)c1=O | 10.1021/jm0506221 | ||
| CHEMBL382413 | 141019 | 0 | None | 33 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 329 | 4 | 2 | 6 | 0.7 | Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)O)cc3)cc2n(C)c1=O | 10.1021/jm0506221 | ||
| 44452535 | 155748 | 0 | None | -38 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 295 | 4 | 2 | 7 | 1.9 | OCCNc1nc2ccccc2n2nc(-c3ccco3)nc12 | 10.1016/j.bmc.2007.10.103 | ||
| CHEMBL405868 | 155748 | 0 | None | -38 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 295 | 4 | 2 | 7 | 1.9 | OCCNc1nc2ccccc2n2nc(-c3ccco3)nc12 | 10.1016/j.bmc.2007.10.103 | ||
| 45273122 | 195746 | 0 | None | -128 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 308 | 4 | 2 | 5 | 2.6 | Cc1ccc(CNC(=O)c2cc(-c3ccco3)nc(N)n2)cc1 | 10.1016/j.bmcl.2009.03.142 | ||
| CHEMBL557696 | 195746 | 0 | None | -128 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 308 | 4 | 2 | 5 | 2.6 | Cc1ccc(CNC(=O)c2cc(-c3ccco3)nc(N)n2)cc1 | 10.1016/j.bmcl.2009.03.142 | ||
| 136044108 | 129666 | 0 | None | -3 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 344 | 5 | 3 | 7 | 1.8 | CCCn1c(=O)c2nc(-c3cccc(O)c3O)[nH]c2n(CCC)c1=O | 10.1021/jm0104318 | ||
| CHEMBL36740 | 129666 | 0 | None | -3 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 344 | 5 | 3 | 7 | 1.8 | CCCn1c(=O)c2nc(-c3cccc(O)c3O)[nH]c2n(CCC)c1=O | 10.1021/jm0104318 | ||
| 11059351 | 119919 | 0 | None | -6 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 446 | 7 | 2 | 9 | 4.2 | CCCCn1cc2c(nc(NC(=O)Nc3ccccc3OC)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm0109614 | ||
| CHEMBL349611 | 119919 | 0 | None | -6 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 446 | 7 | 2 | 9 | 4.2 | CCCCn1cc2c(nc(NC(=O)Nc3ccccc3OC)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm0109614 | ||
| 45268920 | 196663 | 0 | None | 1 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 334 | 6 | 1 | 7 | 1.7 | CCn1c(=O)c2[nH]c(-c3cccs3)nc2n(CCCOC)c1=O | 10.1016/j.bmc.2009.03.029 | ||
| CHEMBL564680 | 196663 | 0 | None | 1 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 334 | 6 | 1 | 7 | 1.7 | CCn1c(=O)c2[nH]c(-c3cccs3)nc2n(CCCOC)c1=O | 10.1016/j.bmc.2009.03.029 | ||
| 46228002 | 201422 | 0 | None | 4 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 340 | 5 | 1 | 7 | 1.7 | CCn1c(=O)c2[nH]c(Cc3ccco3)nc2n(Cc2ccco2)c1=O | 10.1016/j.bmc.2009.07.034 | ||
| CHEMBL604896 | 201422 | 0 | None | 4 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 340 | 5 | 1 | 7 | 1.7 | CCn1c(=O)c2[nH]c(Cc3ccco3)nc2n(Cc2ccco2)c1=O | 10.1016/j.bmc.2009.07.034 | ||
| 11582537 | 169277 | 0 | None | -2 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 420 | 7 | 1 | 7 | 3.1 | CC(C)Cn1c(=O)c2nc(-c3cnn(Cc4ccccc4)c3)[nH]c2n(CC(C)C)c1=O | 10.1021/jm051268+ | ||
| CHEMBL441530 | 169277 | 0 | None | -2 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 420 | 7 | 1 | 7 | 3.1 | CC(C)Cn1c(=O)c2nc(-c3cnn(Cc4ccccc4)c3)[nH]c2n(CC(C)C)c1=O | 10.1021/jm051268+ | ||
| 54577823 | 80968 | 0 | None | -30 | 5 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 289 | 2 | 0 | 7 | 0.1 | Cn1c(=O)c2c(nc3n2CCCN3CC2CC2)n(C)c1=O | 10.1016/j.ejmech.2011.05.023 | ||
| CHEMBL2153627 | 80968 | 0 | None | -30 | 5 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 289 | 2 | 0 | 7 | 0.1 | Cn1c(=O)c2c(nc3n2CCCN3CC2CC2)n(C)c1=O | 10.1016/j.ejmech.2011.05.023 | ||
| 70696537 | 75421 | 0 | None | -1 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 304 | 7 | 3 | 5 | 1.8 | COc1cccc2cc(C(=O)NCCCCCO)c(=N)oc12 | 10.1016/j.ejmech.2012.05.009 | ||
| CHEMBL2042075 | 75421 | 0 | None | -1 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 304 | 7 | 3 | 5 | 1.8 | COc1cccc2cc(C(=O)NCCCCCO)c(=N)oc12 | 10.1016/j.ejmech.2012.05.009 | ||
| 145987354 | 167139 | 0 | None | -5 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 609 | 18 | 1 | 10 | 3.6 | CCCCn1c(=O)c2c(nc3n2CCCN3CCc2ccc(OCC(=O)NCCCN(CC)CC)cc2)n(CCCC)c1=O | 10.1039/C8MD00070K | ||
| CHEMBL4291015 | 167139 | 0 | None | -5 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 609 | 18 | 1 | 10 | 3.6 | CCCCn1c(=O)c2c(nc3n2CCCN3CCc2ccc(OCC(=O)NCCCN(CC)CC)cc2)n(CCCC)c1=O | 10.1039/C8MD00070K | ||
| 44410566 | 141354 | 0 | None | -1071 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 496 | 7 | 5 | 11 | 0.1 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC)nc(C#CC(O)c4cccc(OC)c4)nc32)[C@H](O)[C@@H]1O | 10.1016/j.bmcl.2006.01.110 | ||
| CHEMBL383836 | 141354 | 0 | None | -1071 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 496 | 7 | 5 | 11 | 0.1 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC)nc(C#CC(O)c4cccc(OC)c4)nc32)[C@H](O)[C@@H]1O | 10.1016/j.bmcl.2006.01.110 | ||
| 10311510 | 123546 | 0 | None | -25 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 516 | 10 | 1 | 10 | 4.0 | CCCn1c(=O)c2nc(-c3ccc(OCc4noc(-c5ccccc5OC)n4)cc3)[nH]c2n(CCC)c1=O | 10.1016/j.bmcl.2004.11.044 | ||
| CHEMBL361826 | 123546 | 0 | None | -25 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 516 | 10 | 1 | 10 | 4.0 | CCCn1c(=O)c2nc(-c3ccc(OCc4noc(-c5ccccc5OC)n4)cc3)[nH]c2n(CCC)c1=O | 10.1016/j.bmcl.2004.11.044 | ||
| 10311510 | 123546 | 0 | None | -25 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 516 | 10 | 1 | 10 | 4.0 | CCCn1c(=O)c2nc(-c3ccc(OCc4noc(-c5ccccc5OC)n4)cc3)[nH]c2n(CCC)c1=O | 10.1016/j.bmcl.2004.11.044 | ||
| CHEMBL361826 | 123546 | 0 | None | -25 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 516 | 10 | 1 | 10 | 4.0 | CCCn1c(=O)c2nc(-c3ccc(OCc4noc(-c5ccccc5OC)n4)cc3)[nH]c2n(CCC)c1=O | 10.1016/j.bmcl.2004.11.044 | ||
| 9954406 | 96671 | 0 | None | -31 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 430 | 9 | 2 | 6 | 3.6 | CCCn1c(=O)c2nc([C@]34CC[C@](CCCC(=O)O)(CC3)CC4)[nH]c2n(CCC)c1=O | 10.1021/jm0605381 | ||
| CHEMBL264070 | 96671 | 0 | None | -31 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 430 | 9 | 2 | 6 | 3.6 | CCCn1c(=O)c2nc([C@]34CC[C@](CCCC(=O)O)(CC3)CC4)[nH]c2n(CCC)c1=O | 10.1021/jm0605381 | ||
| 377 | 2738 | 53 | None | -1479 | 15 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/jm701594y | ||
| 425 | 2738 | 53 | None | -1479 | 15 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/jm701594y | ||
| 448222 | 2738 | 53 | None | -1479 | 15 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/jm701594y | ||
| CHEMBL464859 | 2738 | 53 | None | -1479 | 15 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/jm701594y | ||
| 10431614 | 58101 | 0 | None | -14 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 408 | 3 | 2 | 8 | 3.6 | Cn1cc2c(nc(NC(=O)Nc3ccc(Cl)cc3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm0109614 | ||
| CHEMBL167753 | 58101 | 0 | None | -14 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 408 | 3 | 2 | 8 | 3.6 | Cn1cc2c(nc(NC(=O)Nc3ccc(Cl)cc3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm0109614 | ||
| 44406582 | 72856 | 0 | None | 7 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 474 | 8 | 1 | 10 | 3.0 | CCCn1c(=O)c2nc(-c3cnn(Cc4nc(-c5cccc(C)c5)no4)c3)[nH]c2n(CCC)c1=O | 10.1016/j.bmcl.2005.10.002 | ||
| CHEMBL200350 | 72856 | 0 | None | 7 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 474 | 8 | 1 | 10 | 3.0 | CCCn1c(=O)c2nc(-c3cnn(Cc4nc(-c5cccc(C)c5)no4)c3)[nH]c2n(CCC)c1=O | 10.1016/j.bmcl.2005.10.002 | ||
| 21874721 | 178563 | 0 | None | -58 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 328 | 3 | 1 | 7 | 2.4 | Nc1nc(-c2ccco2)c2nnn(Cc3cc(F)ccc3F)c2n1 | 10.1021/jm800961g | ||
| CHEMBL467245 | 178563 | 0 | None | -58 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 328 | 3 | 1 | 7 | 2.4 | Nc1nc(-c2ccco2)c2nnn(Cc3cc(F)ccc3F)c2n1 | 10.1021/jm800961g | ||
| 21874639 | 178629 | 0 | None | -3 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 311 | 3 | 2 | 8 | 0.8 | Nc1nc(-c2cnn[nH]2)c2nnn(Cc3ccccc3F)c2n1 | 10.1021/jm800961g | ||
| CHEMBL467655 | 178629 | 0 | None | -3 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 311 | 3 | 2 | 8 | 0.8 | Nc1nc(-c2cnn[nH]2)c2nnn(Cc3ccccc3F)c2n1 | 10.1021/jm800961g | ||
| 11282829 | 205988 | 0 | None | -1 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 471 | 7 | 2 | 9 | 2.2 | CCCn1c(=O)[nH]c2[nH]c(-c3ccc(S(=O)(=O)Oc4cccc([N+](=O)[O-])c4)cc3)nc2c1=O | 10.1021/jm0310030 | ||
| CHEMBL8495 | 205988 | 0 | None | -1 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 471 | 7 | 2 | 9 | 2.2 | CCCn1c(=O)[nH]c2[nH]c(-c3ccc(S(=O)(=O)Oc4cccc([N+](=O)[O-])c4)cc3)nc2c1=O | 10.1021/jm0310030 | ||
| 135443378 | 109610 | 0 | None | 4 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 623 | 11 | 2 | 9 | 4.9 | CCCn1c(=O)c2nc(-c3cc(NC(=O)Cc4ccc(OCc5ccccc5C(F)(F)F)cc4)nn3C)[nH]c2n(CCC)c1=O | 10.1021/jm0309654 | ||
| CHEMBL32229 | 109610 | 0 | None | 4 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 623 | 11 | 2 | 9 | 4.9 | CCCn1c(=O)c2nc(-c3cc(NC(=O)Cc4ccc(OCc5ccccc5C(F)(F)F)cc4)nn3C)[nH]c2n(CCC)c1=O | 10.1021/jm0309654 | ||
| 135443378 | 109610 | 0 | None | 4 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 623 | 11 | 2 | 9 | 4.9 | CCCn1c(=O)c2nc(-c3cc(NC(=O)Cc4ccc(OCc5ccccc5C(F)(F)F)cc4)nn3C)[nH]c2n(CCC)c1=O | 10.1021/jm0309654 | ||
| CHEMBL32229 | 109610 | 0 | None | 4 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 623 | 11 | 2 | 9 | 4.9 | CCCn1c(=O)c2nc(-c3cc(NC(=O)Cc4ccc(OCc5ccccc5C(F)(F)F)cc4)nn3C)[nH]c2n(CCC)c1=O | 10.1021/jm0309654 | ||
| 57429602 | 157215 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 500 | 7 | 1 | 8 | 3.5 | CCCn1c(=O)c2[nH]c(-c3cnn(CC#Cc4cccc(OC(F)(F)F)c4)c3)nc2n(CCC)c1=O | 10.1016/j.ejmech.2021.113907 | ||
| CHEMBL4076435 | 157215 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 500 | 7 | 1 | 8 | 3.5 | CCCn1c(=O)c2[nH]c(-c3cnn(CC#Cc4cccc(OC(F)(F)F)c4)c3)nc2n(CCC)c1=O | 10.1016/j.ejmech.2021.113907 | ||
| 44236568 | 156446 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 486 | 6 | 1 | 8 | 3.1 | CCCn1c(=O)c2[nH]c(-c3cnn(CC#Cc4cccc(OC(F)(F)F)c4)c3)nc2n(CC)c1=O | 10.1016/j.ejmech.2017.04.014 | ||
| CHEMBL4067401 | 156446 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 486 | 6 | 1 | 8 | 3.1 | CCCn1c(=O)c2[nH]c(-c3cnn(CC#Cc4cccc(OC(F)(F)F)c4)c3)nc2n(CC)c1=O | 10.1016/j.ejmech.2017.04.014 | ||
| 69028196 | 159539 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 491 | 9 | 1 | 9 | 3.1 | CCCn1c(=O)c2[nH]c(-c3cnn(CC4CCN(c5ccc(OC)cc5)C4)c3)nc2n(CCC)c1=O | 10.1016/j.ejmech.2016.11.007 | ||
| CHEMBL4102641 | 159539 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 491 | 9 | 1 | 9 | 3.1 | CCCn1c(=O)c2[nH]c(-c3cnn(CC4CCN(c5ccc(OC)cc5)C4)c3)nc2n(CCC)c1=O | 10.1016/j.ejmech.2016.11.007 | ||
| 21958783 | 94564 | 0 | None | 85 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 364 | 5 | 2 | 6 | 2.0 | CC(C)Cn1c(=O)[nH]c2nc(-c3cnn(Cc4ccccc4)c3)[nH]c2c1=O | 10.1016/j.bmcl.2008.01.008 | ||
| CHEMBL252068 | 94564 | 0 | None | 85 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 364 | 5 | 2 | 6 | 2.0 | CC(C)Cn1c(=O)[nH]c2nc(-c3cnn(Cc4ccccc4)c3)[nH]c2c1=O | 10.1016/j.bmcl.2008.01.008 | ||
| 22266766 | 155447 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 498 | 6 | 2 | 9 | 2.8 | O=c1[nH]c2nc(-c3cnn(Cc4noc(-c5ccc(C(F)(F)F)cc5)n4)c3)[nH]c2c(=O)n1CC1CC1 | 10.1016/j.bmcl.2008.01.008 | ||
| CHEMBL403975 | 155447 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 498 | 6 | 2 | 9 | 2.8 | O=c1[nH]c2nc(-c3cnn(Cc4noc(-c5ccc(C(F)(F)F)cc5)n4)c3)[nH]c2c(=O)n1CC1CC1 | 10.1016/j.bmcl.2008.01.008 | ||
| 10308937 | 155476 | 0 | None | 9 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 350 | 5 | 2 | 6 | 1.7 | CCCn1c(=O)[nH]c2nc(-c3cnn(Cc4ccccc4)c3)[nH]c2c1=O | 10.1016/j.bmcl.2008.01.008 | ||
| CHEMBL404130 | 155476 | 0 | None | 9 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 350 | 5 | 2 | 6 | 1.7 | CCCn1c(=O)[nH]c2nc(-c3cnn(Cc4ccccc4)c3)[nH]c2c1=O | 10.1016/j.bmcl.2008.01.008 | ||
| 11952665 | 6018 | 0 | None | 19 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 262 | 2 | 1 | 4 | 3.3 | c1coc(-c2nc3[nH]ccc3cc2-c2ccncn2)c1 | 10.1016/j.bmcl.2010.01.077 | ||
| CHEMBL1080512 | 6018 | 0 | None | 19 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 262 | 2 | 1 | 4 | 3.3 | c1coc(-c2nc3[nH]ccc3cc2-c2ccncn2)c1 | 10.1016/j.bmcl.2010.01.077 | ||
| 53318744 | 57984 | 0 | None | 2 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 334 | 4 | 1 | 5 | 3.9 | O=C(Nc1cnc(-c2ccncc2)c(-c2ccco2)n1)C1CCCC1 | 10.1021/ml100249e | ||
| CHEMBL1672616 | 57984 | 0 | None | 2 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 334 | 4 | 1 | 5 | 3.9 | O=C(Nc1cnc(-c2ccncc2)c(-c2ccco2)n1)C1CCCC1 | 10.1021/ml100249e | ||
| 11690561 | 78273 | 0 | None | 34 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 432 | 5 | 1 | 7 | 2.9 | CCn1c(=O)c2nc(-c3cnn(Cc4cccc(C(F)(F)F)c4)c3)[nH]c2n(CC)c1=O | 10.1021/jm7014815 | ||
| CHEMBL210808 | 78273 | 0 | None | 34 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 432 | 5 | 1 | 7 | 2.9 | CCn1c(=O)c2nc(-c3cnn(Cc4cccc(C(F)(F)F)c4)c3)[nH]c2n(CC)c1=O | 10.1021/jm7014815 | ||
| 21958583 | 96216 | 0 | None | 7 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 382 | 5 | 1 | 7 | 1.9 | CCCn1c(=O)c2[nH]c(-c3cnn(Cc4cccc(F)c4)c3)nc2n(C)c1=O | 10.1021/jm7014815 | ||
| CHEMBL260976 | 96216 | 0 | None | 7 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 382 | 5 | 1 | 7 | 1.9 | CCCn1c(=O)c2[nH]c(-c3cnn(Cc4cccc(F)c4)c3)nc2n(C)c1=O | 10.1021/jm7014815 | ||
| 9930130 | 10769 | 0 | None | 1 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 387 | 5 | 1 | 5 | 4.1 | CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(F)cc3)sc12 | 10.1016/j.bmcl.2010.05.056 | ||
| CHEMBL1171897 | 10769 | 0 | None | 1 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 387 | 5 | 1 | 5 | 4.1 | CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(F)cc3)sc12 | 10.1016/j.bmcl.2010.05.056 | ||
| 49798140 | 10838 | 0 | None | 2 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 484 | 9 | 1 | 7 | 3.6 | CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(C(=O)N(C)CCOC)cc3)sc12 | 10.1016/j.bmcl.2010.05.056 | ||
| CHEMBL1172442 | 10838 | 0 | None | 2 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 484 | 9 | 1 | 7 | 3.6 | CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(C(=O)N(C)CCOC)cc3)sc12 | 10.1016/j.bmcl.2010.05.056 | ||
| 11690561 | 78273 | 0 | None | 34 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 432 | 5 | 1 | 7 | 2.9 | CCn1c(=O)c2nc(-c3cnn(Cc4cccc(C(F)(F)F)c4)c3)[nH]c2n(CC)c1=O | 10.1021/jm051268+ | ||
| CHEMBL210808 | 78273 | 0 | None | 34 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 432 | 5 | 1 | 7 | 2.9 | CCn1c(=O)c2nc(-c3cnn(Cc4cccc(C(F)(F)F)c4)c3)[nH]c2n(CC)c1=O | 10.1021/jm051268+ | ||
| 10970525 | 99919 | 0 | None | 8 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 364 | 4 | 3 | 5 | 2.3 | CCCn1c(=O)[nH]c2[nH]c(-c3ccc4cc(C(=O)O)ccc4c3)nc2c1=O | 10.1021/jm011049y | ||
| CHEMBL286350 | 99919 | 0 | None | 8 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 364 | 4 | 3 | 5 | 2.3 | CCCn1c(=O)[nH]c2[nH]c(-c3ccc4cc(C(=O)O)ccc4c3)nc2c1=O | 10.1021/jm011049y | ||
| 44451252 | 95947 | 0 | None | 12 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 503 | 6 | 1 | 8 | 2.0 | COc1ccc(N2CCN(C(=O)COc3ccc(-c4cc5c([nH]4)c(=O)n(C)c(=O)n5C)cc3)CC2)cc1 | 10.1016/j.bmc.2008.01.002 | ||
| CHEMBL259529 | 95947 | 0 | None | 12 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 503 | 6 | 1 | 8 | 2.0 | COc1ccc(N2CCN(C(=O)COc3ccc(-c4cc5c([nH]4)c(=O)n(C)c(=O)n5C)cc3)CC2)cc1 | 10.1016/j.bmc.2008.01.002 | ||
| 44451050 | 95958 | 0 | None | 23 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 501 | 7 | 1 | 7 | 2.8 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(c5ccccc5)CC4)cc3)cc2n(C)c1=O | 10.1016/j.bmc.2008.01.002 | ||
| CHEMBL259581 | 95958 | 0 | None | 23 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 501 | 7 | 1 | 7 | 2.8 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(c5ccccc5)CC4)cc3)cc2n(C)c1=O | 10.1016/j.bmc.2008.01.002 | ||
| 168292492 | 191616 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 352 | 4 | 2 | 6 | 1.1 | CCCn1c(=O)[nH]c2nc(-c3cccc(S(=O)(=O)F)c3)[nH]c2c1=O | 10.1039/d2md00132b | ||
| CHEMBL5195884 | 191616 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 352 | 4 | 2 | 6 | 1.1 | CCCn1c(=O)[nH]c2nc(-c3cccc(S(=O)(=O)F)c3)[nH]c2c1=O | 10.1039/d2md00132b | ||
| 10377463 | 96284 | 0 | None | -2 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 251 | 1 | 1 | 6 | 2.1 | Nc1nc2ccccc2n2nc(-c3ccco3)nc12 | 10.1016/j.bmc.2007.10.103 | ||
| CHEMBL261345 | 96284 | 0 | None | -2 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 251 | 1 | 1 | 6 | 2.1 | Nc1nc2ccccc2n2nc(-c3ccco3)nc12 | 10.1016/j.bmc.2007.10.103 | ||
| 136042347 | 71146 | 0 | None | 3 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 482 | 9 | 2 | 8 | 2.9 | CCCn1c(=O)c2[nH]c(-c3cc(OCC(=O)Nc4ccc(F)cc4)nn3C)cc2n(CCC)c1=O | 10.1021/jm201292w | ||
| CHEMBL1955925 | 71146 | 0 | None | 3 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 482 | 9 | 2 | 8 | 2.9 | CCCn1c(=O)c2[nH]c(-c3cc(OCC(=O)Nc4ccc(F)cc4)nn3C)cc2n(CCC)c1=O | 10.1021/jm201292w | ||
| 11525368 | 73359 | 0 | None | 8 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 457 | 7 | 2 | 7 | 3.1 | CCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(C#N)cc4)cc3)cc2n(CC)c1=O | 10.1021/jm0506221 | ||
| CHEMBL201496 | 73359 | 0 | None | 8 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 457 | 7 | 2 | 7 | 3.1 | CCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(C#N)cc4)cc3)cc2n(CC)c1=O | 10.1021/jm0506221 | ||
| 44450929 | 95786 | 0 | None | 85 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 544 | 9 | 2 | 7 | 3.9 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCC(O)(c5ccccc5)CC4)cc3)cc2n(CCC)c1=O | 10.1016/j.bmc.2008.01.002 | ||
| CHEMBL258809 | 95786 | 0 | None | 85 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 544 | 9 | 2 | 7 | 3.9 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCC(O)(c5ccccc5)CC4)cc3)cc2n(CCC)c1=O | 10.1016/j.bmc.2008.01.002 | ||
| 44451491 | 96647 | 0 | None | 30 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 475 | 5 | 1 | 9 | 0.8 | Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(c5ncccn5)CC4)cc3)cc2n(C)c1=O | 10.1016/j.bmc.2008.01.002 | ||
| CHEMBL263895 | 96647 | 0 | None | 30 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 475 | 5 | 1 | 9 | 0.8 | Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(c5ncccn5)CC4)cc3)cc2n(C)c1=O | 10.1016/j.bmc.2008.01.002 | ||
| 69032552 | 157931 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 491 | 9 | 1 | 9 | 3.1 | CCCn1c(=O)c2[nH]c(-c3cnn(CC4CCN(c5cccc(OC)c5)C4)c3)nc2n(CCC)c1=O | 10.1016/j.ejmech.2016.11.007 | ||
| CHEMBL4084707 | 157931 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 491 | 9 | 1 | 9 | 3.1 | CCCn1c(=O)c2[nH]c(-c3cnn(CC4CCN(c5cccc(OC)c5)C4)c3)nc2n(CCC)c1=O | 10.1016/j.ejmech.2016.11.007 | ||
| 155562321 | 175822 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 377 | 3 | 1 | 6 | 4.0 | CCOC(=O)C1=C(C(F)(F)F)Nc2nc3ccccc3n2[C@@H]1c1ccoc1 | 10.1021/acs.jmedchem.9b01340 | ||
| CHEMBL4585472 | 175822 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 377 | 3 | 1 | 6 | 4.0 | CCOC(=O)C1=C(C(F)(F)F)Nc2nc3ccccc3n2[C@@H]1c1ccoc1 | 10.1021/acs.jmedchem.9b01340 | ||
| 11720513 | 72998 | 0 | None | 4 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 517 | 10 | 3 | 7 | 4.0 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(NC(C)=O)cc4)cc3)cc2n(CCC)c1=O | 10.1021/jm0506221 | ||
| CHEMBL200967 | 72998 | 0 | None | 4 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 517 | 10 | 3 | 7 | 4.0 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(NC(C)=O)cc4)cc3)cc2n(CCC)c1=O | 10.1021/jm0506221 | ||
| 11561715 | 73372 | 0 | None | 8 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 462 | 9 | 2 | 7 | 2.7 | COCCCn1c(=O)n(C)c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccccc4)cc3)cc21 | 10.1021/jm0506221 | ||
| CHEMBL201554 | 73372 | 0 | None | 8 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 462 | 9 | 2 | 7 | 2.7 | COCCCn1c(=O)n(C)c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccccc4)cc3)cc21 | 10.1021/jm0506221 | ||
| 46228018 | 199812 | 0 | None | 7 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 354 | 5 | 0 | 8 | 1.7 | CCn1c(=O)c2c(nc(Cc3ccco3)n2C)n(Cc2ccco2)c1=O | 10.1016/j.bmc.2009.07.034 | ||
| CHEMBL594271 | 199812 | 0 | None | 7 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 354 | 5 | 0 | 8 | 1.7 | CCn1c(=O)c2c(nc(Cc3ccco3)n2C)n(Cc2ccco2)c1=O | 10.1016/j.bmc.2009.07.034 | ||
| 44574282 | 178758 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 432 | 6 | 2 | 6 | 3.9 | CCCn1c(=O)c2[nH]c(-c3ccc(COC(=O)Nc4ccccc4)cc3)cc2n(C)c1=O | 10.1016/j.bmc.2009.03.062 | ||
| CHEMBL468920 | 178758 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 432 | 6 | 2 | 6 | 3.9 | CCCn1c(=O)c2[nH]c(-c3ccc(COC(=O)Nc4ccccc4)cc3)cc2n(C)c1=O | 10.1016/j.bmc.2009.03.062 | ||
| CHEMBL5080757 | 214681 | 0 | None | -2 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | None | None | None | N#Cc1c(-c2ccc(F)cc2)nc(N)nc1-c1ccco1 | 10.1021/acs.jmedchem.1c01636 | ||||
| 135416055 | 110455 | 0 | None | 5 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 517 | 8 | 2 | 8 | 3.3 | CCCn1c(=O)c2nc(-c3cc(NC(=O)Cc4ccc(C(F)(F)F)cc4)nn3C)[nH]c2n(CCC)c1=O | 10.1021/jm0309654 | ||
| CHEMBL32478 | 110455 | 0 | None | 5 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 517 | 8 | 2 | 8 | 3.3 | CCCn1c(=O)c2nc(-c3cc(NC(=O)Cc4ccc(C(F)(F)F)cc4)nn3C)[nH]c2n(CCC)c1=O | 10.1021/jm0309654 | ||
| 57429611 | 159528 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 446 | 6 | 2 | 8 | 1.9 | CCCn1c(=O)c2[nH]c(-c3cnn(CC#Cc4ccc(C(=O)O)cc4)c3)nc2n(CC)c1=O | 10.1016/j.ejmech.2017.04.014 | ||
| CHEMBL4102581 | 159528 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 446 | 6 | 2 | 8 | 1.9 | CCCn1c(=O)c2[nH]c(-c3cnn(CC#Cc4ccc(C(=O)O)cc4)c3)nc2n(CC)c1=O | 10.1016/j.ejmech.2017.04.014 | ||
| 11733601 | 119963 | 0 | None | -5 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 484 | 6 | 2 | 8 | 5.2 | CCCCn1cc2c(nc(NC(=O)Nc3ccc(C(F)(F)F)cc3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm0109614 | ||
| CHEMBL349954 | 119963 | 0 | None | -5 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 484 | 6 | 2 | 8 | 5.2 | CCCCn1cc2c(nc(NC(=O)Nc3ccc(C(F)(F)F)cc3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm0109614 | ||
| 22283414 | 10631 | 0 | None | 1 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 359 | 4 | 2 | 5 | 3.7 | COc1ccc(NC(C)=O)c2sc(NC(=O)c3ccc(F)cc3)nc12 | 10.1016/j.bmcl.2011.02.053 | ||
| CHEMBL1170518 | 10631 | 0 | None | 1 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 359 | 4 | 2 | 5 | 3.7 | COc1ccc(NC(C)=O)c2sc(NC(=O)c3ccc(F)cc3)nc12 | 10.1016/j.bmcl.2011.02.053 | ||
| 22283414 | 10631 | 0 | None | 1 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 359 | 4 | 2 | 5 | 3.7 | COc1ccc(NC(C)=O)c2sc(NC(=O)c3ccc(F)cc3)nc12 | 10.1016/j.bmcl.2010.05.056 | ||
| CHEMBL1170518 | 10631 | 0 | None | 1 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 359 | 4 | 2 | 5 | 3.7 | COc1ccc(NC(C)=O)c2sc(NC(=O)c3ccc(F)cc3)nc12 | 10.1016/j.bmcl.2010.05.056 | ||
| 9869857 | 66800 | 11 | None | -109 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 482 | 8 | 5 | 14 | -0.6 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(N)nc(N[C@H](CO)Cc5ccccc5)nc43)[C@H](O)[C@@H]2O)n1 | 10.1021/jm031143+ | ||
| CHEMBL186113 | 66800 | 11 | None | -109 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 482 | 8 | 5 | 14 | -0.6 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(N)nc(N[C@H](CO)Cc5ccccc5)nc43)[C@H](O)[C@@H]2O)n1 | 10.1021/jm031143+ | ||
| 71300326 | 118475 | 40 | None | 2 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 499 | 6 | 2 | 4 | 3.0 | O=C([C@@H](Cc1cccc(C(F)(F)F)c1)NS(=O)(=O)c1cc(F)c2c(c1)CCNC2)N1CCCC1 | 10.6019/CHEMBL5212743 | ||
| CHEMBL3414622 | 118475 | 40 | None | 2 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 499 | 6 | 2 | 4 | 3.0 | O=C([C@@H](Cc1cccc(C(F)(F)F)c1)NS(=O)(=O)c1cc(F)c2c(c1)CCNC2)N1CCCC1 | 10.6019/CHEMBL5212743 | ||
| CHEMBL4789678 | 118475 | 40 | None | 2 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 499 | 6 | 2 | 4 | 3.0 | O=C([C@@H](Cc1cccc(C(F)(F)F)c1)NS(=O)(=O)c1cc(F)c2c(c1)CCNC2)N1CCCC1 | 10.6019/CHEMBL5212743 | ||
| 44520983 | 201215 | 0 | None | -380 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 326 | 5 | 2 | 7 | 1.8 | CCn1ccnc1CNC(=O)c1cc(-c2ccc(C)o2)nc(N)n1 | 10.1016/j.bmc.2009.07.078 | ||
| CHEMBL603748 | 201215 | 0 | None | -380 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 326 | 5 | 2 | 7 | 1.8 | CCn1ccnc1CNC(=O)c1cc(-c2ccc(C)o2)nc(N)n1 | 10.1016/j.bmc.2009.07.078 | ||
| 127043669 | 141153 | 0 | None | 1 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 439 | 9 | 1 | 8 | 3.1 | CCCCn1c(=O)c2c(nc3n2CCCN3CCc2ccc(O)cc2)n(CCCC)c1=O | 10.1016/j.bmc.2016.07.028 | ||
| CHEMBL3828002 | 141153 | 0 | None | 1 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 439 | 9 | 1 | 8 | 3.1 | CCCCn1c(=O)c2c(nc3n2CCCN3CCc2ccc(O)cc2)n(CCCC)c1=O | 10.1016/j.bmc.2016.07.028 | ||
| 44406403 | 72958 | 0 | None | 26 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 489 | 9 | 1 | 10 | 3.3 | CCCn1c(=O)c2nc(-c3cnn(Cc4cc(-c5cccc(OC)c5)on4)c3)[nH]c2n(CCC)c1=O | 10.1016/j.bmcl.2005.10.002 | ||
| CHEMBL200747 | 72958 | 0 | None | 26 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 489 | 9 | 1 | 10 | 3.3 | CCCn1c(=O)c2nc(-c3cnn(Cc4cc(-c5cccc(OC)c5)on4)c3)[nH]c2n(CCC)c1=O | 10.1016/j.bmcl.2005.10.002 | ||
| 11577210 | 74565 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 518 | 10 | 2 | 8 | 3.2 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(CC(=O)OCC)cc4)cc3)cc2n(C)c1=O | 10.1021/jm0506221 | ||
| CHEMBL202980 | 74565 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 518 | 10 | 2 | 8 | 3.2 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(CC(=O)OCC)cc4)cc3)cc2n(C)c1=O | 10.1021/jm0506221 | ||
| 168292492 | 191616 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 352 | 4 | 2 | 6 | 1.1 | CCCn1c(=O)[nH]c2nc(-c3cccc(S(=O)(=O)F)c3)[nH]c2c1=O | 10.1039/d2md00132b | ||
| CHEMBL5195884 | 191616 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 352 | 4 | 2 | 6 | 1.1 | CCCn1c(=O)[nH]c2nc(-c3cccc(S(=O)(=O)F)c3)[nH]c2c1=O | 10.1039/d2md00132b | ||
| 135465796 | 110543 | 0 | None | 18 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 571 | 9 | 2 | 9 | 3.4 | CC(C)Cn1c(=O)c2nc(-c3cc(OCC(=O)Nc4ccc(Br)cc4)nn3C)[nH]c2n(CC(C)C)c1=O | 10.1021/jm0309654 | ||
| CHEMBL32534 | 110543 | 0 | None | 18 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 571 | 9 | 2 | 9 | 3.4 | CC(C)Cn1c(=O)c2nc(-c3cc(OCC(=O)Nc4ccc(Br)cc4)nn3C)[nH]c2n(CC(C)C)c1=O | 10.1021/jm0309654 | ||
| 10938276 | 119851 | 0 | None | -29 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 402 | 4 | 2 | 8 | 3.7 | CCn1cc2c(nc(NC(=O)Nc3ccc(C)cc3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm0109614 | ||
| CHEMBL348975 | 119851 | 0 | None | -29 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 402 | 4 | 2 | 8 | 3.7 | CCn1cc2c(nc(NC(=O)Nc3ccc(C)cc3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm0109614 | ||
| 21874626 | 190652 | 0 | None | -12 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 335 | 4 | 2 | 8 | 1.2 | NC(=O)c1cccc(Cn2nnc3c(-c4ccco4)nc(N)nc32)c1 | 10.1021/jm800961g | ||
| CHEMBL518178 | 190652 | 0 | None | -12 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 335 | 4 | 2 | 8 | 1.2 | NC(=O)c1cccc(Cn2nnc3c(-c4ccco4)nc(N)nc32)c1 | 10.1021/jm800961g | ||
| 22995178 | 99982 | 4 | None | 3 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 232 | 4 | 1 | 5 | 0.3 | C=CCn1c(=O)c2nc[nH]c2n(CC=C)c1=O | 10.1021/jm0104318 | ||
| CHEMBL286785 | 99982 | 4 | None | 3 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 232 | 4 | 1 | 5 | 0.3 | C=CCn1c(=O)c2nc[nH]c2n(CC=C)c1=O | 10.1021/jm0104318 | ||
| 1908 | 205978 | 33 | None | 1 | 6 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 336 | 2 | 2 | 7 | -0.1 | Cn1c(=O)c2nc(-c3ccc(S(=O)(=O)O)cc3)[nH]c2n(C)c1=O | 10.1021/jm0104318 | ||
| CHEMBL8488 | 205978 | 33 | None | 1 | 6 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 336 | 2 | 2 | 7 | -0.1 | Cn1c(=O)c2nc(-c3ccc(S(=O)(=O)O)cc3)[nH]c2n(C)c1=O | 10.1021/jm0104318 | ||
| 1908 | 205978 | 33 | None | 1 | 6 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 336 | 2 | 2 | 7 | -0.1 | Cn1c(=O)c2nc(-c3ccc(S(=O)(=O)O)cc3)[nH]c2n(C)c1=O | 10.1021/jm0310030 | ||
| CHEMBL8488 | 205978 | 33 | None | 1 | 6 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 336 | 2 | 2 | 7 | -0.1 | Cn1c(=O)c2nc(-c3ccc(S(=O)(=O)O)cc3)[nH]c2n(C)c1=O | 10.1021/jm0310030 | ||
| 1908 | 205978 | 33 | None | 1 | 6 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 336 | 2 | 2 | 7 | -0.1 | Cn1c(=O)c2nc(-c3ccc(S(=O)(=O)O)cc3)[nH]c2n(C)c1=O | 10.1021/jm060277v | ||
| CHEMBL8488 | 205978 | 33 | None | 1 | 6 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 336 | 2 | 2 | 7 | -0.1 | Cn1c(=O)c2nc(-c3ccc(S(=O)(=O)O)cc3)[nH]c2n(C)c1=O | 10.1021/jm060277v | ||
| 46880471 | 6045 | 0 | None | 10 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 306 | 4 | 1 | 5 | 3.1 | O=C(Nc1ccc(-c2ccncc2)c(-c2cocn2)n1)C1CC1 | 10.1016/j.bmcl.2010.01.045 | ||
| CHEMBL1080677 | 6045 | 0 | None | 10 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 306 | 4 | 1 | 5 | 3.1 | O=C(Nc1ccc(-c2ccncc2)c(-c2cocn2)n1)C1CC1 | 10.1016/j.bmcl.2010.01.045 | ||
| 44406625 | 72791 | 0 | None | 22 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 494 | 8 | 1 | 10 | 3.3 | CCCn1c(=O)c2nc(-c3cnn(Cc4noc(-c5cccc(Cl)c5)n4)c3)[nH]c2n(CCC)c1=O | 10.1016/j.bmcl.2005.10.002 | ||
| CHEMBL200146 | 72791 | 0 | None | 22 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 494 | 8 | 1 | 10 | 3.3 | CCCn1c(=O)c2nc(-c3cnn(Cc4noc(-c5cccc(Cl)c5)n4)c3)[nH]c2n(CCC)c1=O | 10.1016/j.bmcl.2005.10.002 | ||
| 21874538 | 169418 | 0 | None | -11 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 333 | 3 | 2 | 9 | 1.4 | Nc1nc(-c2ccco2)c2nnn(Cc3ccc4[nH]nnc4c3)c2n1 | 10.1021/jm800961g | ||
| CHEMBL442670 | 169418 | 0 | None | -11 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 333 | 3 | 2 | 9 | 1.4 | Nc1nc(-c2ccco2)c2nnn(Cc3ccc4[nH]nnc4c3)c2n1 | 10.1021/jm800961g | ||
| 46233379 | 200316 | 0 | None | -1 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 416 | 5 | 0 | 7 | 2.9 | CCn1c(=O)c2c(nc(Cc3c(F)cccc3F)n2C)n(Cc2cccs2)c1=O | 10.1016/j.bmc.2010.01.028 | ||
| CHEMBL597560 | 200316 | 0 | None | -1 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 416 | 5 | 0 | 7 | 2.9 | CCn1c(=O)c2c(nc(Cc3c(F)cccc3F)n2C)n(Cc2cccs2)c1=O | 10.1016/j.bmc.2010.01.028 | ||
| 44437219 | 90622 | 0 | None | -1 | 2 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 340 | 3 | 0 | 8 | 0.3 | Cn1c(=O)c2c(nc3n2CCCN3CCc2ccccn2)n(C)c1=O | 10.1016/j.bmc.2007.07.051 | ||
| CHEMBL239018 | 90622 | 0 | None | -1 | 2 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 340 | 3 | 0 | 8 | 0.3 | Cn1c(=O)c2c(nc3n2CCCN3CCc2ccccn2)n(C)c1=O | 10.1016/j.bmc.2007.07.051 | ||
| 24894016 | 64451 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 297 | 2 | 3 | 5 | 2.5 | O=C(Nc1ccc(O)c(O)c1)c1coc2ccccc2c1=O | 10.1016/j.ejmech.2012.05.033 | ||
| CHEMBL1814066 | 64451 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 297 | 2 | 3 | 5 | 2.5 | O=C(Nc1ccc(O)c(O)c1)c1coc2ccccc2c1=O | 10.1016/j.ejmech.2012.05.033 | ||
| 11133843 | 57427 | 0 | None | -5 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 434 | 6 | 2 | 8 | 4.3 | CCCCn1cc2c(nc(NC(=O)Nc3ccc(F)cc3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm0109614 | ||
| CHEMBL165620 | 57427 | 0 | None | -5 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 434 | 6 | 2 | 8 | 4.3 | CCCCn1cc2c(nc(NC(=O)Nc3ccc(F)cc3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm0109614 | ||
| 10994317 | 57064 | 0 | None | -8 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 470 | 5 | 2 | 8 | 4.8 | CCCn1cc2c(nc(NC(=O)Nc3ccc(C(F)(F)F)cc3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm0109614 | ||
| CHEMBL164509 | 57064 | 0 | None | -8 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 470 | 5 | 2 | 8 | 4.8 | CCCn1cc2c(nc(NC(=O)Nc3ccc(C(F)(F)F)cc3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm0109614 | ||
| 44406588 | 133510 | 0 | None | 6 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 490 | 9 | 1 | 11 | 2.7 | CCCn1c(=O)c2nc(-c3cnn(Cc4noc(-c5cccc(OC)c5)n4)c3)[nH]c2n(CCC)c1=O | 10.1016/j.bmcl.2005.10.002 | ||
| CHEMBL370860 | 133510 | 0 | None | 6 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 490 | 9 | 1 | 11 | 2.7 | CCCn1c(=O)c2nc(-c3cnn(Cc4noc(-c5cccc(OC)c5)n4)c3)[nH]c2n(CCC)c1=O | 10.1016/j.bmcl.2005.10.002 | ||
| 45267990 | 196081 | 0 | None | -53 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 328 | 4 | 2 | 5 | 2.9 | Nc1nc(C(=O)NCc2ccccc2Cl)cc(-c2ccco2)n1 | 10.1016/j.bmcl.2009.03.142 | ||
| CHEMBL560904 | 196081 | 0 | None | -53 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 328 | 4 | 2 | 5 | 2.9 | Nc1nc(C(=O)NCc2ccccc2Cl)cc(-c2ccco2)n1 | 10.1016/j.bmcl.2009.03.142 | ||
| 136044107 | 131198 | 0 | None | -2 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 344 | 5 | 3 | 7 | 1.8 | CCCn1c(=O)c2nc(-c3cc(O)ccc3O)[nH]c2n(CCC)c1=O | 10.1021/jm0104318 | ||
| CHEMBL36867 | 131198 | 0 | None | -2 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 344 | 5 | 3 | 7 | 1.8 | CCCn1c(=O)c2nc(-c3cc(O)ccc3O)[nH]c2n(CCC)c1=O | 10.1021/jm0104318 | ||
| 162666539 | 182266 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 276 | 4 | 2 | 4 | 1.9 | CC1=C(C(=O)OCC2CC2)C(c2ccco2)NC(=O)N1 | 10.1021/acs.jmedchem.0c01431 | ||
| CHEMBL4783992 | 182266 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 276 | 4 | 2 | 4 | 1.9 | CC1=C(C(=O)OCC2CC2)C(c2ccco2)NC(=O)N1 | 10.1021/acs.jmedchem.0c01431 | ||
| 45272308 | 195324 | 0 | None | 3 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 318 | 6 | 1 | 7 | 1.2 | CCn1c(=O)c2[nH]c(-c3ccco3)nc2n(CCCOC)c1=O | 10.1016/j.bmc.2009.03.029 | ||
| CHEMBL551761 | 195324 | 0 | None | 3 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 318 | 6 | 1 | 7 | 1.2 | CCn1c(=O)c2[nH]c(-c3ccco3)nc2n(CCCOC)c1=O | 10.1016/j.bmc.2009.03.029 | ||
| 46233315 | 200363 | 0 | None | 4 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 372 | 5 | 1 | 7 | 2.7 | CCn1c(=O)c2[nH]c(Cc3cccs3)nc2n(Cc2cccs2)c1=O | 10.1016/j.bmc.2010.01.028 | ||
| CHEMBL597955 | 200363 | 0 | None | 4 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 372 | 5 | 1 | 7 | 2.7 | CCn1c(=O)c2[nH]c(Cc3cccs3)nc2n(Cc2cccs2)c1=O | 10.1016/j.bmc.2010.01.028 | ||
| 164622009 | 186065 | 0 | None | -309 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 426 | 8 | 4 | 9 | 0.6 | CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCCCCc4ccccc4)ncnc32)[C@H](O)[C@@H]1O | 10.1016/j.ejmech.2021.113607 | ||
| CHEMBL4871554 | 186065 | 0 | None | -309 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 426 | 8 | 4 | 9 | 0.6 | CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCCCCc4ccccc4)ncnc32)[C@H](O)[C@@H]1O | 10.1016/j.ejmech.2021.113607 | ||
| 1882 | 90623 | 66 | None | 3 | 5 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 242 | 2 | 0 | 6 | -0.3 | Cn1c(=O)c2c(ncn2CCCl)n(C)c1=O | 10.1021/jm0104318 | ||
| CHEMBL23903 | 90623 | 66 | None | 3 | 5 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 242 | 2 | 0 | 6 | -0.3 | Cn1c(=O)c2c(ncn2CCCl)n(C)c1=O | 10.1021/jm0104318 | ||
| 439176 | 98593 | 71 | None | -54 | 4 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 297 | 3 | 3 | 9 | -0.6 | CSC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O | 10.1021/jm031092g | ||
| CHEMBL277041 | 98593 | 71 | None | -54 | 4 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 297 | 3 | 3 | 9 | -0.6 | CSC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O | 10.1021/jm031092g | ||
| 44236632 | 158644 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 441 | 6 | 1 | 8 | 2.5 | CCCn1c(=O)c2[nH]c(-c3cnn(CC#Cc4ccc(C#N)cc4)c3)nc2n(CCC)c1=O | 10.1016/j.ejmech.2017.04.014 | ||
| CHEMBL4092863 | 158644 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 441 | 6 | 1 | 8 | 2.5 | CCCn1c(=O)c2[nH]c(-c3cnn(CC#Cc4ccc(C#N)cc4)c3)nc2n(CCC)c1=O | 10.1016/j.ejmech.2017.04.014 | ||
| 69031810 | 158832 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 545 | 9 | 1 | 9 | 4.0 | CCCn1c(=O)c2[nH]c(-c3cnn(CC4CCN(c5ccc(OC(F)(F)F)cc5)C4)c3)nc2n(CCC)c1=O | 10.1016/j.ejmech.2016.11.007 | ||
| CHEMBL4094895 | 158832 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 545 | 9 | 1 | 9 | 4.0 | CCCn1c(=O)c2[nH]c(-c3cnn(CC4CCN(c5ccc(OC(F)(F)F)cc5)C4)c3)nc2n(CCC)c1=O | 10.1016/j.ejmech.2016.11.007 | ||
| 11654460 | 94530 | 0 | None | 3 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 410 | 7 | 1 | 7 | 2.8 | CCCn1c(=O)c2[nH]c(-c3cnn(Cc4cccc(F)c4)c3)nc2n(CCC)c1=O | 10.1016/j.bmcl.2008.01.008 | ||
| CHEMBL251869 | 94530 | 0 | None | 3 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 410 | 7 | 1 | 7 | 2.8 | CCCn1c(=O)c2[nH]c(-c3cnn(Cc4cccc(F)c4)c3)nc2n(CCC)c1=O | 10.1016/j.bmcl.2008.01.008 | ||
| 9890439 | 94531 | 0 | None | 10 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 460 | 7 | 1 | 7 | 3.6 | CCCn1c(=O)c2[nH]c(-c3cnn(Cc4cccc(C(F)(F)F)c4)c3)nc2n(CCC)c1=O | 10.1016/j.bmcl.2008.01.008 | ||
| CHEMBL251870 | 94531 | 0 | None | 10 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 460 | 7 | 1 | 7 | 3.6 | CCCn1c(=O)c2[nH]c(-c3cnn(Cc4cccc(C(F)(F)F)c4)c3)nc2n(CCC)c1=O | 10.1016/j.bmcl.2008.01.008 | ||
| 22266775 | 94591 | 0 | None | 29 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 459 | 8 | 1 | 9 | 3.3 | CCCn1c(=O)c2[nH]c(-c3cnn(Cc4cc(-c5ccccc5)on4)c3)nc2n(CCC)c1=O | 10.1016/j.bmcl.2008.01.008 | ||
| CHEMBL252245 | 94591 | 0 | None | 29 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 459 | 8 | 1 | 9 | 3.3 | CCCn1c(=O)c2[nH]c(-c3cnn(Cc4cc(-c5ccccc5)on4)c3)nc2n(CCC)c1=O | 10.1016/j.bmcl.2008.01.008 | ||
| 22266741 | 155056 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 500 | 6 | 2 | 9 | 3.1 | CC(C)Cn1c(=O)[nH]c2nc(-c3cnn(Cc4noc(-c5ccc(C(F)(F)F)cc5)n4)c3)[nH]c2c1=O | 10.1016/j.bmcl.2008.01.008 | ||
| CHEMBL401834 | 155056 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 500 | 6 | 2 | 9 | 3.1 | CC(C)Cn1c(=O)[nH]c2nc(-c3cnn(Cc4noc(-c5ccc(C(F)(F)F)cc5)n4)c3)[nH]c2c1=O | 10.1016/j.bmcl.2008.01.008 | ||
| 46880510 | 6125 | 0 | None | 11 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 316 | 4 | 1 | 4 | 3.6 | O=C(Nc1ccc(-c2ccncc2)c(-c2ccncc2)n1)C1CC1 | 10.1016/j.bmcl.2010.01.045 | ||
| CHEMBL1081041 | 6125 | 0 | None | 11 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 316 | 4 | 1 | 4 | 3.6 | O=C(Nc1ccc(-c2ccncc2)c(-c2ccncc2)n1)C1CC1 | 10.1016/j.bmcl.2010.01.045 | ||
| 135874416 | 96359 | 0 | None | 35 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 467 | 8 | 2 | 8 | 2.7 | CCCn1c(=O)c2[nH]c(-c3cc(C)n(CC(=O)Nc4ccc(F)cc4)n3)nc2n(CCC)c1=O | 10.1016/j.bmc.2007.11.058 | ||
| CHEMBL261809 | 96359 | 0 | None | 35 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 467 | 8 | 2 | 8 | 2.7 | CCCn1c(=O)c2[nH]c(-c3cc(C)n(CC(=O)Nc4ccc(F)cc4)n3)nc2n(CCC)c1=O | 10.1016/j.bmc.2007.11.058 | ||
| 44406611 | 72724 | 0 | None | 40 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 485 | 8 | 1 | 11 | 2.5 | CCCn1c(=O)c2nc(-c3cnn(Cc4noc(-c5ccc(C#N)cc5)n4)c3)[nH]c2n(CCC)c1=O | 10.1016/j.bmcl.2005.10.002 | ||
| CHEMBL199895 | 72724 | 0 | None | 40 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 485 | 8 | 1 | 11 | 2.5 | CCCn1c(=O)c2nc(-c3cnn(Cc4noc(-c5ccc(C#N)cc5)n4)c3)[nH]c2n(CCC)c1=O | 10.1016/j.bmcl.2005.10.002 | ||
| 22266775 | 94591 | 0 | None | 29 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 459 | 8 | 1 | 9 | 3.3 | CCCn1c(=O)c2[nH]c(-c3cnn(Cc4cc(-c5ccccc5)on4)c3)nc2n(CCC)c1=O | 10.1016/j.bmcl.2005.10.002 | ||
| CHEMBL252245 | 94591 | 0 | None | 29 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 459 | 8 | 1 | 9 | 3.3 | CCCn1c(=O)c2[nH]c(-c3cnn(Cc4cc(-c5ccccc5)on4)c3)nc2n(CCC)c1=O | 10.1016/j.bmcl.2005.10.002 | ||
| 11654460 | 94530 | 0 | None | 3 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 410 | 7 | 1 | 7 | 2.8 | CCCn1c(=O)c2[nH]c(-c3cnn(Cc4cccc(F)c4)c3)nc2n(CCC)c1=O | 10.1021/jm7014815 | ||
| CHEMBL251869 | 94530 | 0 | None | 3 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 410 | 7 | 1 | 7 | 2.8 | CCCn1c(=O)c2[nH]c(-c3cnn(Cc4cccc(F)c4)c3)nc2n(CCC)c1=O | 10.1021/jm7014815 | ||
| 9890439 | 94531 | 0 | None | 10 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 460 | 7 | 1 | 7 | 3.6 | CCCn1c(=O)c2[nH]c(-c3cnn(Cc4cccc(C(F)(F)F)c4)c3)nc2n(CCC)c1=O | 10.1021/jm7014815 | ||
| CHEMBL251870 | 94531 | 0 | None | 10 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 460 | 7 | 1 | 7 | 3.6 | CCCn1c(=O)c2[nH]c(-c3cnn(Cc4cccc(C(F)(F)F)c4)c3)nc2n(CCC)c1=O | 10.1021/jm7014815 | ||
| 11568203 | 96215 | 0 | None | 28 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 432 | 5 | 1 | 7 | 2.8 | CCCn1c(=O)c2[nH]c(-c3cnn(Cc4cccc(C(F)(F)F)c4)c3)nc2n(C)c1=O | 10.1021/jm7014815 | ||
| CHEMBL260975 | 96215 | 0 | None | 28 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 432 | 5 | 1 | 7 | 2.8 | CCCn1c(=O)c2[nH]c(-c3cnn(Cc4cccc(C(F)(F)F)c4)c3)nc2n(C)c1=O | 10.1021/jm7014815 | ||
| 49797772 | 10824 | 0 | None | 1 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 466 | 7 | 1 | 6 | 4.1 | CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(CN4CCCC4=O)cc3)sc12 | 10.1016/j.bmcl.2010.05.056 | ||
| CHEMBL1172276 | 10824 | 0 | None | 1 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 466 | 7 | 1 | 6 | 4.1 | CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(CN4CCCC4=O)cc3)sc12 | 10.1016/j.bmcl.2010.05.056 | ||
| 11654460 | 94530 | 0 | None | 3 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 410 | 7 | 1 | 7 | 2.8 | CCCn1c(=O)c2[nH]c(-c3cnn(Cc4cccc(F)c4)c3)nc2n(CCC)c1=O | 10.1021/jm051268+ | ||
| CHEMBL251869 | 94530 | 0 | None | 3 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 410 | 7 | 1 | 7 | 2.8 | CCCn1c(=O)c2[nH]c(-c3cnn(Cc4cccc(F)c4)c3)nc2n(CCC)c1=O | 10.1021/jm051268+ | ||
| 9890439 | 94531 | 0 | None | 10 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 460 | 7 | 1 | 7 | 3.6 | CCCn1c(=O)c2[nH]c(-c3cnn(Cc4cccc(C(F)(F)F)c4)c3)nc2n(CCC)c1=O | 10.1021/jm051268+ | ||
| CHEMBL251870 | 94531 | 0 | None | 10 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 460 | 7 | 1 | 7 | 3.6 | CCCn1c(=O)c2[nH]c(-c3cnn(Cc4cccc(C(F)(F)F)c4)c3)nc2n(CCC)c1=O | 10.1021/jm051268+ | ||
| 136042331 | 71128 | 0 | None | 48 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 476 | 8 | 2 | 9 | 2.9 | CCCn1c(=O)c2[nH]c(-c3cc(OCc4nc5c(C)cccc5[nH]4)nn3C)nc2n(CCC)c1=O | 10.1021/jm201292w | ||
| CHEMBL1955906 | 71128 | 0 | None | 48 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 476 | 8 | 2 | 9 | 2.9 | CCCn1c(=O)c2[nH]c(-c3cc(OCc4nc5c(C)cccc5[nH]4)nn3C)nc2n(CCC)c1=O | 10.1021/jm201292w | ||
| 11670078 | 72751 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 474 | 9 | 2 | 6 | 4.3 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(C)cc4)cc3)cc2n(CCC)c1=O | 10.1021/jm0506221 | ||
| CHEMBL199999 | 72751 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 474 | 9 | 2 | 6 | 4.3 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(C)cc4)cc3)cc2n(CCC)c1=O | 10.1021/jm0506221 | ||
| CHEMBL5086487 | 215011 | 0 | None | -5 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | None | None | None | CCNc1nc(-c2ccccc2)c(C#N)c(-c2cccc(C#N)c2)n1 | 10.1021/acs.jmedchem.1c01636 | ||||
| 136042351 | 71122 | 0 | None | 53 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 492 | 9 | 2 | 10 | 2.6 | CCCn1c(=O)c2[nH]c(-c3cc(OCc4nc5cc(OC)ccc5[nH]4)nn3C)nc2n(CCC)c1=O | 10.1021/jm201292w | ||
| CHEMBL1955900 | 71122 | 0 | None | 53 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 492 | 9 | 2 | 10 | 2.6 | CCCn1c(=O)c2[nH]c(-c3cc(OCc4nc5cc(OC)ccc5[nH]4)nn3C)nc2n(CCC)c1=O | 10.1021/jm201292w | ||
| 44450828 | 157671 | 0 | None | 44 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 472 | 6 | 1 | 6 | 3.1 | CCCn1c(=O)n(C)c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCc5ccccc5C4)cc3)cc21 | 10.1016/j.bmc.2008.01.002 | ||
| CHEMBL408185 | 157671 | 0 | None | 44 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 472 | 6 | 1 | 6 | 3.1 | CCCn1c(=O)n(C)c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCc5ccccc5C4)cc3)cc21 | 10.1016/j.bmc.2008.01.002 | ||
| 11089092 | 139761 | 0 | None | 4 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 340 | 5 | 3 | 5 | 1.6 | CCCn1c(=O)[nH]c2[nH]c(-c3ccc(/C=C/C(=O)O)cc3)nc2c1=O | 10.1021/jm011049y | ||
| CHEMBL37987 | 139761 | 0 | None | 4 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 340 | 5 | 3 | 5 | 1.6 | CCCn1c(=O)[nH]c2[nH]c(-c3ccc(/C=C/C(=O)O)cc3)nc2c1=O | 10.1021/jm011049y | ||
| CHEMBL5071174 | 214229 | 0 | None | -6 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | None | None | None | N#Cc1c(-c2ccccc2)nc(Nc2ccccc2)nc1-c1ccco1 | 10.1021/acs.jmedchem.1c01636 | ||||
| 11038429 | 119469 | 0 | None | 1 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 502 | 8 | 2 | 7 | 2.6 | CCCCn1c(=O)[nH]c2[nH]c(-c3ccc(OCC(=O)N4CCN(c5ccccc5)CC4)cc3)nc2c1=O | 10.1021/jm011049y | ||
| CHEMBL34543 | 119469 | 0 | None | 1 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 502 | 8 | 2 | 7 | 2.6 | CCCCn1c(=O)[nH]c2[nH]c(-c3ccc(OCC(=O)N4CCN(c5ccccc5)CC4)cc3)nc2c1=O | 10.1021/jm011049y | ||
| 44451049 | 160158 | 0 | None | 74 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 535 | 7 | 1 | 7 | 3.5 | CCCn1c(=O)n(C)c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(c5ccccc5Cl)CC4)cc3)cc21 | 10.1016/j.bmc.2008.01.002 | ||
| CHEMBL410934 | 160158 | 0 | None | 74 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 535 | 7 | 1 | 7 | 3.5 | CCCn1c(=O)n(C)c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(c5ccccc5Cl)CC4)cc3)cc21 | 10.1016/j.bmc.2008.01.002 | ||
| 46228058 | 200035 | 0 | None | 12 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 384 | 6 | 0 | 8 | 2.6 | CCCn1c(=O)c2c(nc(Cc3cccs3)n2C)n(Cc2ccco2)c1=O | 10.1016/j.bmc.2009.07.034 | ||
| CHEMBL595658 | 200035 | 0 | None | 12 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 384 | 6 | 0 | 8 | 2.6 | CCCn1c(=O)c2c(nc(Cc3cccs3)n2C)n(Cc2ccco2)c1=O | 10.1016/j.bmc.2009.07.034 | ||
| 136042328 | 71118 | 0 | None | 10 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 507 | 9 | 2 | 11 | 2.5 | CCCn1c(=O)c2[nH]c(-c3cc(OCc4nc5cc([N+](=O)[O-])ccc5[nH]4)nn3C)nc2n(CCC)c1=O | 10.1021/jm201292w | ||
| CHEMBL1955894 | 71118 | 0 | None | 10 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 507 | 9 | 2 | 11 | 2.5 | CCCn1c(=O)c2[nH]c(-c3cc(OCc4nc5cc([N+](=O)[O-])ccc5[nH]4)nn3C)nc2n(CCC)c1=O | 10.1021/jm201292w | ||
| 11586663 | 72040 | 0 | None | -1 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 229 | 1 | 1 | 7 | 0.4 | Cc1cc2c(nc(-n3nccn3)n2C)c(N)n1 | 10.1021/jm058018d | ||
| CHEMBL197682 | 72040 | 0 | None | -1 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 229 | 1 | 1 | 7 | 0.4 | Cc1cc2c(nc(-n3nccn3)n2C)c(N)n1 | 10.1021/jm058018d | ||
| 137660519 | 159386 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 437 | 7 | 1 | 8 | 2.1 | CCCn1c(=O)c2[nH]c(-c3cnn(CC#CCN4CCCCC4)c3)nc2n(CCC)c1=O | 10.1016/j.ejmech.2017.04.014 | ||
| CHEMBL4100823 | 159386 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 437 | 7 | 1 | 8 | 2.1 | CCCn1c(=O)c2[nH]c(-c3cnn(CC#CCN4CCCCC4)c3)nc2n(CCC)c1=O | 10.1016/j.ejmech.2017.04.014 | ||
| 137645935 | 157552 | 0 | None | -354 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 446 | 6 | 1 | 8 | 3.5 | COc1cnc(N2CCOCC2)c2sc(NC(=O)C(C)(C)Oc3ccc(F)cc3)nc12 | 10.1021/acs.jmedchem.6b01584 | ||
| CHEMBL4080594 | 157552 | 0 | None | -354 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 446 | 6 | 1 | 8 | 3.5 | COc1cnc(N2CCOCC2)c2sc(NC(=O)C(C)(C)Oc3ccc(F)cc3)nc12 | 10.1021/acs.jmedchem.6b01584 | ||
| 44308394 | 102608 | 0 | None | - | 1 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 224 | 2 | 0 | 7 | -1.0 | COCn1c(=O)c2c(ncn2C)n(C)c1=O | 10.1021/jm0104318 | ||
| CHEMBL304319 | 102608 | 0 | None | - | 1 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 224 | 2 | 0 | 7 | -1.0 | COCn1c(=O)c2c(ncn2C)n(C)c1=O | 10.1021/jm0104318 | ||
| 22266744 | 96363 | 0 | None | 2 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 302 | 4 | 2 | 6 | 1.0 | CCn1c(=O)n(CC(C)C)c(=O)c2[nH]c(-c3cn[nH]c3)nc21 | 10.1021/jm7014815 | ||
| CHEMBL261817 | 96363 | 0 | None | 2 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 302 | 4 | 2 | 6 | 1.0 | CCn1c(=O)n(CC(C)C)c(=O)c2[nH]c(-c3cn[nH]c3)nc21 | 10.1021/jm7014815 | ||
| 9923269 | 96001 | 0 | None | -75 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 324 | 3 | 2 | 8 | 2.0 | Nc1nc(-c2ccco2)c2ncn(C(=O)NCc3ccco3)c2n1 | 10.1021/jm4011669 | ||
| CHEMBL259832 | 96001 | 0 | None | -75 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 324 | 3 | 2 | 8 | 2.0 | Nc1nc(-c2ccco2)c2ncn(C(=O)NCc3ccco3)c2n1 | 10.1021/jm4011669 | ||
| 11720443 | 140626 | 0 | None | 5 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 512 | 9 | 2 | 6 | 4.8 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccccc4F)cc3)c(Cl)c2n(CCC)c1=O | 10.1021/jm0506221 | ||
| CHEMBL381473 | 140626 | 0 | None | 5 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 512 | 9 | 2 | 6 | 4.8 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccccc4F)cc3)c(Cl)c2n(CCC)c1=O | 10.1021/jm0506221 | ||
| 168281755 | 190881 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 368 | 5 | 2 | 7 | 1.1 | CCCn1c(=O)[nH]c2nc(-c3cccc(OS(=O)(=O)F)c3)[nH]c2c1=O | 10.1039/d2md00132b | ||
| CHEMBL5185103 | 190881 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 368 | 5 | 2 | 7 | 1.1 | CCCn1c(=O)[nH]c2nc(-c3cccc(OS(=O)(=O)F)c3)[nH]c2c1=O | 10.1039/d2md00132b | ||
| 10884265 | 57380 | 0 | None | -588 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 418 | 3 | 2 | 10 | 2.6 | Cn1cc2c(nc(NC(=O)Nc3ccc4c(c3)OCO4)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm0109614 | ||
| CHEMBL165224 | 57380 | 0 | None | -588 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 418 | 3 | 2 | 10 | 2.6 | Cn1cc2c(nc(NC(=O)Nc3ccc4c(c3)OCO4)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm0109614 | ||
| 76011 | 203634 | 8 | None | -2 | 3 | Rat | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 256 | 3 | 0 | 6 | 0.1 | Cn1c(=O)c2c(ncn2CCCCl)n(C)c1=O | 10.1021/jm0104318 | ||
| CHEMBL67323 | 203634 | 8 | None | -2 | 3 | Rat | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 256 | 3 | 0 | 6 | 0.1 | Cn1c(=O)c2c(ncn2CCCCl)n(C)c1=O | 10.1021/jm0104318 | ||
| 11784369 | 119899 | 0 | None | -4 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 401 | 6 | 1 | 8 | 3.3 | CCCn1cc2c(nc(NC(=O)Cc3ccccc3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm0109614 | ||
| CHEMBL349464 | 119899 | 0 | None | -4 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 401 | 6 | 1 | 8 | 3.3 | CCCn1cc2c(nc(NC(=O)Cc3ccccc3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm0109614 | ||
| 11683855 | 72573 | 0 | None | -3 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 452 | 6 | 2 | 7 | 2.4 | COc1cc(-c2cc3c([nH]2)c(=O)n(C)c(=O)n3C)ccc1OCC(=O)Nc1ccc(F)cc1 | 10.1021/jm0506221 | ||
| CHEMBL199353 | 72573 | 0 | None | -3 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 452 | 6 | 2 | 7 | 2.4 | COc1cc(-c2cc3c([nH]2)c(=O)n(C)c(=O)n3C)ccc1OCC(=O)Nc1ccc(F)cc1 | 10.1021/jm0506221 | ||
| 44452454 | 95925 | 0 | None | 3 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 332 | 4 | 0 | 7 | 3.7 | c1coc(-c2nc3c(OCc4ccoc4)nc4ccccc4n3n2)c1 | 10.1016/j.bmc.2007.10.103 | ||
| CHEMBL259430 | 95925 | 0 | None | 3 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 332 | 4 | 0 | 7 | 3.7 | c1coc(-c2nc3c(OCc4ccoc4)nc4ccccc4n3n2)c1 | 10.1016/j.bmc.2007.10.103 | ||
| 44316331 | 205476 | 0 | None | -97 | 3 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 468 | 11 | 4 | 6 | 4.8 | Oc1ccc(C[C@@H]2CCCN2CCCCCCN2CCC[C@H]2Cc2ccc(O)c(O)c2)cc1O | 10.1016/0960-894X(95)00413-N | ||
| CHEMBL80686 | 205476 | 0 | None | -97 | 3 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 468 | 11 | 4 | 6 | 4.8 | Oc1ccc(C[C@@H]2CCCN2CCCCCCN2CCC[C@H]2Cc2ccc(O)c(O)c2)cc1O | 10.1016/0960-894X(95)00413-N | ||
| 24812771 | 175683 | 4 | None | -16 | 5 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 344 | 5 | 1 | 7 | 1.9 | COC[C@H]1CCCN1c1cc(NC(C)=O)nc(-n2nc(C)cc2C)n1 | 10.1021/jm800908d | ||
| CHEMBL458224 | 175683 | 4 | None | -16 | 5 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 344 | 5 | 1 | 7 | 1.9 | COC[C@H]1CCCN1c1cc(NC(C)=O)nc(-n2nc(C)cc2C)n1 | 10.1021/jm800908d | ||
| 44390527 | 64517 | 0 | None | 1 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 504 | 9 | 1 | 9 | 4.1 | CCCn1c(=O)c2nc(-c3ccc(OCc4nc(-c5cccc(F)c5)no4)cc3)[nH]c2n(CCC)c1=O | 10.1016/j.bmcl.2004.11.044 | ||
| CHEMBL181468 | 64517 | 0 | None | 1 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 504 | 9 | 1 | 9 | 4.1 | CCCn1c(=O)c2nc(-c3ccc(OCc4nc(-c5cccc(F)c5)no4)cc3)[nH]c2n(CCC)c1=O | 10.1016/j.bmcl.2004.11.044 | ||
| 44442167 | 154860 | 0 | None | -204 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 602 | 8 | 5 | 11 | 2.3 | CC1(C)c2ccc(C(=O)NCCc3ccc(Nc4ncnc5c4ncn5[C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)cc3)cc2C(C)(C)N1[O] | 10.1016/j.bmcl.2007.07.035 | ||
| CHEMBL400746 | 154860 | 0 | None | -204 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 602 | 8 | 5 | 11 | 2.3 | CC1(C)c2ccc(C(=O)NCCc3ccc(Nc4ncnc5c4ncn5[C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)cc3)cc2C(C)(C)N1[O] | 10.1016/j.bmcl.2007.07.035 | ||
| 217940 | 203456 | 28 | None | - | 1 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 219 | 1 | 0 | 7 | -1.0 | Cn1c(=O)c2c(ncn2CC#N)n(C)c1=O | 10.1021/jm0104318 | ||
| CHEMBL66058 | 203456 | 28 | None | - | 1 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 219 | 1 | 0 | 7 | -1.0 | Cn1c(=O)c2c(ncn2CC#N)n(C)c1=O | 10.1021/jm0104318 | ||
| 45268928 | 196123 | 0 | None | 2 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 331 | 7 | 2 | 6 | 1.3 | CCCn1c(=O)c2[nH]c(-c3ccc[nH]3)nc2n(CCCOC)c1=O | 10.1016/j.bmc.2009.03.029 | ||
| CHEMBL561168 | 196123 | 0 | None | 2 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 331 | 7 | 2 | 6 | 1.3 | CCCn1c(=O)c2[nH]c(-c3ccc[nH]3)nc2n(CCCOC)c1=O | 10.1016/j.bmc.2009.03.029 | ||
| 11711754 | 72574 | 0 | None | 2 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 434 | 6 | 2 | 7 | 2.3 | COc1cc(-c2cc3c([nH]2)c(=O)n(C)c(=O)n3C)ccc1OCC(=O)Nc1ccccc1 | 10.1021/jm0506221 | ||
| CHEMBL199354 | 72574 | 0 | None | 2 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 434 | 6 | 2 | 7 | 2.3 | COc1cc(-c2cc3c([nH]2)c(=O)n(C)c(=O)n3C)ccc1OCC(=O)Nc1ccccc1 | 10.1021/jm0506221 | ||
| 127026188 | 138060 | 0 | None | -1348 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 329 | 3 | 2 | 5 | 2.7 | Nc1nc(C(=O)NCc2cccc3cccnc23)c2ccccc2n1 | 10.1016/j.bmcl.2015.11.048 | ||
| CHEMBL3765818 | 138060 | 0 | None | -1348 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 329 | 3 | 2 | 5 | 2.7 | Nc1nc(C(=O)NCc2cccc3cccnc23)c2ccccc2n1 | 10.1016/j.bmcl.2015.11.048 | ||
| 76320870 | 103816 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 264 | 3 | 2 | 4 | 1.9 | CC1=C(C(=O)OC(C)C)C(c2ccoc2)NC(=O)N1 | 10.1021/acs.jmedchem.5b01586 | ||
| CHEMBL3091699 | 103816 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 264 | 3 | 2 | 4 | 1.9 | CC1=C(C(=O)OC(C)C)C(c2ccoc2)NC(=O)N1 | 10.1021/acs.jmedchem.5b01586 | ||
| 76320870 | 103816 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 264 | 3 | 2 | 4 | 1.9 | CC1=C(C(=O)OC(C)C)C(c2ccoc2)NC(=O)N1 | 10.1021/acs.jmedchem.7b00138 | ||
| CHEMBL3091699 | 103816 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 264 | 3 | 2 | 4 | 1.9 | CC1=C(C(=O)OC(C)C)C(c2ccoc2)NC(=O)N1 | 10.1021/acs.jmedchem.7b00138 | ||
| 76320870 | 103816 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 264 | 3 | 2 | 4 | 1.9 | CC1=C(C(=O)OC(C)C)C(c2ccoc2)NC(=O)N1 | 10.1021/acs.jmedchem.0c01431 | ||
| CHEMBL3091699 | 103816 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 264 | 3 | 2 | 4 | 1.9 | CC1=C(C(=O)OC(C)C)C(c2ccoc2)NC(=O)N1 | 10.1021/acs.jmedchem.0c01431 | ||
| 76320870 | 103816 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 264 | 3 | 2 | 4 | 1.9 | CC1=C(C(=O)OC(C)C)C(c2ccoc2)NC(=O)N1 | 10.1021/ml400185v | ||
| CHEMBL3091699 | 103816 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 264 | 3 | 2 | 4 | 1.9 | CC1=C(C(=O)OC(C)C)C(c2ccoc2)NC(=O)N1 | 10.1021/ml400185v | ||
| 76320870 | 103816 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 264 | 3 | 2 | 4 | 1.9 | CC1=C(C(=O)OC(C)C)C(c2ccoc2)NC(=O)N1 | 10.1021/acs.jmedchem.9b01340 | ||
| CHEMBL3091699 | 103816 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 264 | 3 | 2 | 4 | 1.9 | CC1=C(C(=O)OC(C)C)C(c2ccoc2)NC(=O)N1 | 10.1021/acs.jmedchem.9b01340 | ||
| 135443367 | 486 | 0 | None | 22 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 534 | 9 | 1 | 10 | 1.8 | CCCn1c2[nH]c(nc2c(=O)n(c1=O)CCC)c1cc(nn1C)OCC(=O)N1CCN(CC1)c1ccccc1 | 10.1021/jm0309654 | ||
| 382 | 486 | 0 | None | 22 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 534 | 9 | 1 | 10 | 1.8 | CCCn1c2[nH]c(nc2c(=O)n(c1=O)CCC)c1cc(nn1C)OCC(=O)N1CCN(CC1)c1ccccc1 | 10.1021/jm0309654 | ||
| CHEMBL33455 | 486 | 0 | None | 22 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 534 | 9 | 1 | 10 | 1.8 | CCCn1c2[nH]c(nc2c(=O)n(c1=O)CCC)c1cc(nn1C)OCC(=O)N1CCN(CC1)c1ccccc1 | 10.1021/jm0309654 | ||
| 135443367 | 486 | 0 | None | 22 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 534 | 9 | 1 | 10 | 1.8 | CCCn1c2[nH]c(nc2c(=O)n(c1=O)CCC)c1cc(nn1C)OCC(=O)N1CCN(CC1)c1ccccc1 | 10.1021/jm0309654 | ||
| 382 | 486 | 0 | None | 22 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 534 | 9 | 1 | 10 | 1.8 | CCCn1c2[nH]c(nc2c(=O)n(c1=O)CCC)c1cc(nn1C)OCC(=O)N1CCN(CC1)c1ccccc1 | 10.1021/jm0309654 | ||
| CHEMBL33455 | 486 | 0 | None | 22 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 534 | 9 | 1 | 10 | 1.8 | CCCn1c2[nH]c(nc2c(=O)n(c1=O)CCC)c1cc(nn1C)OCC(=O)N1CCN(CC1)c1ccccc1 | 10.1021/jm0309654 | ||
| 135915276 | 158597 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 451 | 7 | 1 | 8 | 2.9 | CCCn1c(=O)c2[nH]c(-c3cc(OCC#Cc4ccc(F)cc4)no3)nc2n(CCC)c1=O | 10.1016/j.ejmech.2017.04.014 | ||
| CHEMBL4092291 | 158597 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 451 | 7 | 1 | 8 | 2.9 | CCCn1c(=O)c2[nH]c(-c3cc(OCC#Cc4ccc(F)cc4)no3)nc2n(CCC)c1=O | 10.1016/j.ejmech.2017.04.014 | ||
| 22266761 | 94526 | 0 | None | 229 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 418 | 6 | 2 | 9 | 1.8 | CCCn1c(=O)[nH]c2nc(-c3cnn(Cc4noc(-c5ccccc5)n4)c3)[nH]c2c1=O | 10.1016/j.bmcl.2008.01.008 | ||
| CHEMBL251854 | 94526 | 0 | None | 229 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 418 | 6 | 2 | 9 | 1.8 | CCCn1c(=O)[nH]c2nc(-c3cnn(Cc4noc(-c5ccccc5)n4)c3)[nH]c2c1=O | 10.1016/j.bmcl.2008.01.008 | ||
| 22266751 | 94539 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 497 | 6 | 2 | 8 | 3.4 | O=c1[nH]c2nc(-c3cnn(Cc4cc(-c5ccc(C(F)(F)F)cc5)on4)c3)[nH]c2c(=O)n1CC1CC1 | 10.1016/j.bmcl.2008.01.008 | ||
| CHEMBL251881 | 94539 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 497 | 6 | 2 | 8 | 3.4 | O=c1[nH]c2nc(-c3cnn(Cc4cc(-c5ccc(C(F)(F)F)cc5)on4)c3)[nH]c2c(=O)n1CC1CC1 | 10.1016/j.bmcl.2008.01.008 | ||
| 22266776 | 166491 | 0 | None | 93 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 486 | 6 | 2 | 9 | 2.8 | CCCn1c(=O)[nH]c2nc(-c3cnn(Cc4noc(-c5ccc(C(F)(F)F)cc5)n4)c3)[nH]c2c1=O | 10.1016/j.bmcl.2008.01.008 | ||
| CHEMBL427887 | 166491 | 0 | None | 93 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 486 | 6 | 2 | 9 | 2.8 | CCCn1c(=O)[nH]c2nc(-c3cnn(Cc4noc(-c5ccc(C(F)(F)F)cc5)n4)c3)[nH]c2c1=O | 10.1016/j.bmcl.2008.01.008 | ||
| 135874413 | 96361 | 0 | None | 22 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 449 | 8 | 2 | 8 | 2.5 | CCCn1c(=O)c2[nH]c(-c3cc(C)n(CC(=O)Nc4ccccc4)n3)nc2n(CCC)c1=O | 10.1016/j.bmc.2007.11.058 | ||
| CHEMBL261810 | 96361 | 0 | None | 22 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 449 | 8 | 2 | 8 | 2.5 | CCCn1c(=O)c2[nH]c(-c3cc(C)n(CC(=O)Nc4ccccc4)n3)nc2n(CCC)c1=O | 10.1016/j.bmc.2007.11.058 | ||
| 49797793 | 10822 | 0 | None | 11 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 427 | 6 | 1 | 7 | 3.7 | CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(C(=O)OC)cc3)sc12 | 10.1016/j.bmcl.2010.05.056 | ||
| CHEMBL1172274 | 10822 | 0 | None | 11 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 427 | 6 | 1 | 7 | 3.7 | CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(C(=O)OC)cc3)sc12 | 10.1016/j.bmcl.2010.05.056 | ||
| 137638964 | 156838 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 288 | 3 | 2 | 5 | 1.6 | CC1=C(C(=O)OC(C)C)[C@@H](c2ccco2)N/C(=N/C#N)N1 | 10.1021/acs.jmedchem.7b00138 | ||
| CHEMBL4071734 | 156838 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 288 | 3 | 2 | 5 | 1.6 | CC1=C(C(=O)OC(C)C)[C@@H](c2ccco2)N/C(=N/C#N)N1 | 10.1021/acs.jmedchem.7b00138 | ||
| 10882425 | 79140 | 0 | None | 13 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 342 | 6 | 3 | 5 | 1.5 | CCCCn1c(=O)[nH]c2nc(-c3ccc(CC(=O)O)cc3)[nH]c2c1=O | 10.1021/jm011049y | ||
| CHEMBL2113345 | 79140 | 0 | None | 13 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 342 | 6 | 3 | 5 | 1.5 | CCCCn1c(=O)[nH]c2nc(-c3ccc(CC(=O)O)cc3)[nH]c2c1=O | 10.1021/jm011049y | ||
| 11611298 | 139198 | 0 | None | 1 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 412 | 5 | 2 | 9 | 1.1 | Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4nncs4)cc3)cc2n(C)c1=O | 10.1021/jm0506221 | ||
| CHEMBL378815 | 139198 | 0 | None | 1 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 412 | 5 | 2 | 9 | 1.1 | Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4nncs4)cc3)cc2n(C)c1=O | 10.1021/jm0506221 | ||
| 44451048 | 95957 | 0 | None | 15 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 519 | 7 | 1 | 7 | 3.0 | CCCn1c(=O)n(C)c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(c5ccc(F)cc5)CC4)cc3)cc21 | 10.1016/j.bmc.2008.01.002 | ||
| CHEMBL259580 | 95957 | 0 | None | 15 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 519 | 7 | 1 | 7 | 3.0 | CCCn1c(=O)n(C)c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(c5ccc(F)cc5)CC4)cc3)cc21 | 10.1016/j.bmc.2008.01.002 | ||
| 155511376 | 169531 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 391 | 3 | 1 | 6 | 4.4 | CC1=C(C(=O)O[C@@H](C)C(F)(F)F)C(c2ccco2)n2c(nc3ccccc32)N1 | 10.1021/acs.jmedchem.9b01340 | ||
| CHEMBL4435630 | 169531 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 391 | 3 | 1 | 6 | 4.4 | CC1=C(C(=O)O[C@@H](C)C(F)(F)F)C(c2ccco2)n2c(nc3ccccc32)N1 | 10.1021/acs.jmedchem.9b01340 | ||
| 45272259 | 195620 | 0 | None | 10 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 478 | 10 | 2 | 9 | 2.0 | CCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccccn4)cc3)nc2n(CCCOC)c1=O | 10.1016/j.bmc.2009.03.029 | ||
| CHEMBL556389 | 195620 | 0 | None | 10 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 478 | 10 | 2 | 9 | 2.0 | CCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccccn4)cc3)nc2n(CCCOC)c1=O | 10.1016/j.bmc.2009.03.029 | ||
| 45269711 | 196320 | 0 | None | 11 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 493 | 10 | 3 | 9 | 2.3 | CCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(O)cc4)cc3)nc2n(CCCOC)c1=O | 10.1016/j.bmc.2009.03.029 | ||
| CHEMBL562427 | 196320 | 0 | None | 11 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 493 | 10 | 3 | 9 | 2.3 | CCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(O)cc4)cc3)nc2n(CCCOC)c1=O | 10.1016/j.bmc.2009.03.029 | ||
| 11660995 | 72783 | 0 | None | 7 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 385 | 8 | 2 | 6 | 2.4 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)O)cc3)cc2n(CCC)c1=O | 10.1021/jm0506221 | ||
| CHEMBL200112 | 72783 | 0 | None | 7 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 385 | 8 | 2 | 6 | 2.4 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)O)cc3)cc2n(CCC)c1=O | 10.1021/jm0506221 | ||
| 136042352 | 71123 | 0 | None | 17 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 540 | 8 | 2 | 9 | 3.3 | CCCn1c(=O)c2[nH]c(-c3cc(OCc4nc5cc(Br)ccc5[nH]4)nn3C)nc2n(CCC)c1=O | 10.1021/jm201292w | ||
| CHEMBL1955901 | 71123 | 0 | None | 17 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 540 | 8 | 2 | 9 | 3.3 | CCCn1c(=O)c2[nH]c(-c3cc(OCc4nc5cc(Br)ccc5[nH]4)nn3C)nc2n(CCC)c1=O | 10.1021/jm201292w | ||
| 9910158 | 32420 | 0 | None | -10 | 6 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 422 | 4 | 2 | 8 | 4.1 | CCn1cc2c(nc(NC(=O)Nc3cccc(Cl)c3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm0109614 | ||
| CHEMBL141154 | 32420 | 0 | None | -10 | 6 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 422 | 4 | 2 | 8 | 4.1 | CCn1cc2c(nc(NC(=O)Nc3cccc(Cl)c3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm0109614 | ||
| 9910158 | 32420 | 0 | None | -10 | 6 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 422 | 4 | 2 | 8 | 4.1 | CCn1cc2c(nc(NC(=O)Nc3cccc(Cl)c3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm001047y | ||
| CHEMBL141154 | 32420 | 0 | None | -10 | 6 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 422 | 4 | 2 | 8 | 4.1 | CCn1cc2c(nc(NC(=O)Nc3cccc(Cl)c3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm001047y | ||
| 11080788 | 56730 | 0 | None | -7 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 446 | 7 | 2 | 9 | 4.2 | CCCCn1cc2c(nc(NC(=O)Nc3cccc(OC)c3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm0109614 | ||
| CHEMBL164325 | 56730 | 0 | None | -7 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 446 | 7 | 2 | 9 | 4.2 | CCCCn1cc2c(nc(NC(=O)Nc3cccc(OC)c3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm0109614 | ||
| 11733556 | 119991 | 0 | None | -10 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 480 | 5 | 2 | 8 | 4.6 | CCCn1cc2c(nc(NC(=O)Nc3ccc(Br)cc3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm0109614 | ||
| CHEMBL350205 | 119991 | 0 | None | -10 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 480 | 5 | 2 | 8 | 4.6 | CCCn1cc2c(nc(NC(=O)Nc3ccc(Br)cc3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm0109614 | ||
| 11780616 | 203588 | 5 | None | 1 | 4 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 270 | 4 | 0 | 6 | 0.5 | Cn1c(=O)c2c(ncn2CCCCCl)n(C)c1=O | 10.1021/jm0104318 | ||
| CHEMBL67060 | 203588 | 5 | None | 1 | 4 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 270 | 4 | 0 | 6 | 0.5 | Cn1c(=O)c2c(ncn2CCCCCl)n(C)c1=O | 10.1021/jm0104318 | ||
| 2153 | 3771 | 115 | None | -1 | 14 | Rat | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 180 | 0 | 1 | 5 | -1.0 | Cn1c(=O)n(C)c2c(c1=O)[nH]cn2 | 10.1016/j.bmc.2010.01.072 | ||
| 2153 | 3771 | 115 | None | -1 | 14 | Rat | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 180 | 0 | 1 | 5 | -1.0 | Cn1c(=O)n(C)c2c(c1=O)[nH]cn2 | 10.1021/jm900413e | ||
| 2620 | 3771 | 115 | None | -1 | 14 | Rat | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 180 | 0 | 1 | 5 | -1.0 | Cn1c(=O)n(C)c2c(c1=O)[nH]cn2 | 10.1016/j.bmc.2010.01.072 | ||
| 2620 | 3771 | 115 | None | -1 | 14 | Rat | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 180 | 0 | 1 | 5 | -1.0 | Cn1c(=O)n(C)c2c(c1=O)[nH]cn2 | 10.1021/jm900413e | ||
| 413 | 3771 | 115 | None | -1 | 14 | Rat | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 180 | 0 | 1 | 5 | -1.0 | Cn1c(=O)n(C)c2c(c1=O)[nH]cn2 | 10.1016/j.bmc.2010.01.072 | ||
| 413 | 3771 | 115 | None | -1 | 14 | Rat | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 180 | 0 | 1 | 5 | -1.0 | Cn1c(=O)n(C)c2c(c1=O)[nH]cn2 | 10.1021/jm900413e | ||
| CHEMBL190 | 3771 | 115 | None | -1 | 14 | Rat | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 180 | 0 | 1 | 5 | -1.0 | Cn1c(=O)n(C)c2c(c1=O)[nH]cn2 | 10.1016/j.bmc.2010.01.072 | ||
| CHEMBL190 | 3771 | 115 | None | -1 | 14 | Rat | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 180 | 0 | 1 | 5 | -1.0 | Cn1c(=O)n(C)c2c(c1=O)[nH]cn2 | 10.1021/jm900413e | ||
| DB00277 | 3771 | 115 | None | -1 | 14 | Rat | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 180 | 0 | 1 | 5 | -1.0 | Cn1c(=O)n(C)c2c(c1=O)[nH]cn2 | 10.1016/j.bmc.2010.01.072 | ||
| DB00277 | 3771 | 115 | None | -1 | 14 | Rat | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 180 | 0 | 1 | 5 | -1.0 | Cn1c(=O)n(C)c2c(c1=O)[nH]cn2 | 10.1021/jm900413e | ||
| 2153 | 3771 | 115 | None | -1 | 14 | Rat | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 180 | 0 | 1 | 5 | -1.0 | Cn1c(=O)n(C)c2c(c1=O)[nH]cn2 | 10.1021/jm0104318 | ||
| 2620 | 3771 | 115 | None | -1 | 14 | Rat | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 180 | 0 | 1 | 5 | -1.0 | Cn1c(=O)n(C)c2c(c1=O)[nH]cn2 | 10.1021/jm0104318 | ||
| 413 | 3771 | 115 | None | -1 | 14 | Rat | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 180 | 0 | 1 | 5 | -1.0 | Cn1c(=O)n(C)c2c(c1=O)[nH]cn2 | 10.1021/jm0104318 | ||
| CHEMBL190 | 3771 | 115 | None | -1 | 14 | Rat | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 180 | 0 | 1 | 5 | -1.0 | Cn1c(=O)n(C)c2c(c1=O)[nH]cn2 | 10.1021/jm0104318 | ||
| DB00277 | 3771 | 115 | None | -1 | 14 | Rat | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 180 | 0 | 1 | 5 | -1.0 | Cn1c(=O)n(C)c2c(c1=O)[nH]cn2 | 10.1021/jm0104318 | ||
| 11509299 | 72753 | 0 | None | 2 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 387 | 6 | 1 | 8 | 1.2 | CCOC(=O)COc1ccc(-c2cc3c([nH]2)c(=O)n(C)c(=O)n3C)cc1OC | 10.1021/jm0506221 | ||
| CHEMBL200012 | 72753 | 0 | None | 2 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 387 | 6 | 1 | 8 | 1.2 | CCOC(=O)COc1ccc(-c2cc3c([nH]2)c(=O)n(C)c(=O)n3C)cc1OC | 10.1021/jm0506221 | ||
| 2917279 | 181653 | 15 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 280 | 4 | 2 | 4 | 2.3 | CCCOC(=O)C1=C(C)NC(=O)NC1c1cccs1 | 10.1021/acs.jmedchem.0c01431 | ||
| CHEMBL4776470 | 181653 | 15 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 280 | 4 | 2 | 4 | 2.3 | CCCOC(=O)C1=C(C)NC(=O)NC1c1cccs1 | 10.1021/acs.jmedchem.0c01431 | ||
| 9814428 | 71468 | 0 | None | -45 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 286 | 5 | 1 | 8 | 1.3 | CCCCCc1nc(N)c2nc(-n3nccn3)n(C)c2n1 | 10.1021/jm058018d | ||
| CHEMBL196258 | 71468 | 0 | None | -45 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 286 | 5 | 1 | 8 | 1.3 | CCCCCc1nc(N)c2nc(-n3nccn3)n(C)c2n1 | 10.1021/jm058018d | ||
| 11822168 | 203633 | 0 | None | -6 | 4 | Rat | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 284 | 4 | 1 | 5 | 1.1 | Cn1c(=O)n(CCCc2ccccc2)c(=O)c2[nH]cnc21 | 10.1021/jm0104318 | ||
| CHEMBL67313 | 203633 | 0 | None | -6 | 4 | Rat | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 284 | 4 | 1 | 5 | 1.1 | Cn1c(=O)n(CCCc2ccccc2)c(=O)c2[nH]cnc21 | 10.1021/jm0104318 | ||
| 11610869 | 80227 | 0 | None | -2 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 393 | 5 | 3 | 8 | -1.0 | Cn1c(=O)c2nc(-c3ccc(S(=O)(=O)NCC(=O)O)cc3)[nH]c2n(C)c1=O | 10.1021/jm060277v | ||
| CHEMBL213878 | 80227 | 0 | None | -2 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 393 | 5 | 3 | 8 | -1.0 | Cn1c(=O)c2nc(-c3ccc(S(=O)(=O)NCC(=O)O)cc3)[nH]c2n(C)c1=O | 10.1021/jm060277v | ||
| 71451329 | 80990 | 0 | None | -5128 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 372 | 5 | 1 | 7 | 1.4 | CCCn1c(=O)c2[nH]c(C3C4CC5OC(=O)C3C5C4)nc2n(CCC)c1=O | 10.1016/j.ejmech.2011.05.023 | ||
| CHEMBL2153721 | 80990 | 0 | None | -5128 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 372 | 5 | 1 | 7 | 1.4 | CCCn1c(=O)c2[nH]c(C3C4CC5OC(=O)C3C5C4)nc2n(CCC)c1=O | 10.1016/j.ejmech.2011.05.023 | ||
| 44308307 | 102615 | 0 | None | - | 1 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 346 | 3 | 1 | 9 | 0.4 | Cn1c(=O)c2nc(-c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c2n(C)c1=O | 10.1021/jm0104318 | ||
| CHEMBL304356 | 102615 | 0 | None | - | 1 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 346 | 3 | 1 | 9 | 0.4 | Cn1c(=O)c2nc(-c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c2n(C)c1=O | 10.1021/jm0104318 | ||
| 11530568 | 73333 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 359 | 5 | 2 | 7 | 0.7 | COc1cc(OCC(=O)O)ccc1-c1cc2c([nH]1)c(=O)n(C)c(=O)n2C | 10.1021/jm0506221 | ||
| CHEMBL201330 | 73333 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 359 | 5 | 2 | 7 | 0.7 | COc1cc(OCC(=O)O)ccc1-c1cc2c([nH]1)c(=O)n(C)c(=O)n2C | 10.1021/jm0506221 | ||
| 44588437 | 175530 | 0 | None | 1 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 342 | 5 | 2 | 7 | 2.3 | CCCn1c(=O)c2c(cc(-c3ccc(N)cc3)n2O)n(CCC)c1=O | 10.1016/j.bmc.2008.09.067 | ||
| CHEMBL457880 | 175530 | 0 | None | 1 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 342 | 5 | 2 | 7 | 2.3 | CCCn1c(=O)c2c(cc(-c3ccc(N)cc3)n2O)n(CCC)c1=O | 10.1016/j.bmc.2008.09.067 | ||
| 11393155 | 195591 | 0 | None | -44 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 324 | 5 | 2 | 6 | 2.3 | COc1ccccc1CNC(=O)c1cc(-c2ccco2)nc(N)n1 | 10.1016/j.bmcl.2009.03.142 | ||
| CHEMBL556083 | 195591 | 0 | None | -44 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 324 | 5 | 2 | 6 | 2.3 | COc1ccccc1CNC(=O)c1cc(-c2ccco2)nc(N)n1 | 10.1016/j.bmcl.2009.03.142 | ||
| 44449635 | 155169 | 0 | None | -676 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 262 | 2 | 0 | 6 | 2.9 | CN(C)c1nc(-c2nccs2)c2sccc2n1 | 10.1016/j.bmcl.2008.03.076 | ||
| CHEMBL402464 | 155169 | 0 | None | -676 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 262 | 2 | 0 | 6 | 2.9 | CN(C)c1nc(-c2nccs2)c2sccc2n1 | 10.1016/j.bmcl.2008.03.076 | ||
| 155516146 | 170027 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 304 | 3 | 2 | 4 | 2.0 | CC1=C(C(=O)OCC(F)(F)F)C(c2ccco2)NC(=O)N1 | 10.1021/acs.jmedchem.9b01340 | ||
| CHEMBL4442922 | 170027 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 304 | 3 | 2 | 4 | 2.0 | CC1=C(C(=O)OCC(F)(F)F)C(c2ccco2)NC(=O)N1 | 10.1021/acs.jmedchem.9b01340 | ||
| 5130381 | 49040 | 17 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 296 | 3 | 2 | 5 | 2.9 | CC1=C(C(=O)OC(C)C)C(c2cccs2)NC(S)=N1 | 10.1021/acs.jmedchem.0c01431 | ||
| CHEMBL1561375 | 49040 | 17 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 296 | 3 | 2 | 5 | 2.9 | CC1=C(C(=O)OC(C)C)C(c2cccs2)NC(S)=N1 | 10.1021/acs.jmedchem.0c01431 | ||
| 162671451 | 182841 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 292 | 4 | 2 | 4 | 2.3 | CC1=C(C(=O)OCC2CC2)C(c2cccs2)NC(=O)N1 | 10.1021/acs.jmedchem.0c01431 | ||
| CHEMBL4791727 | 182841 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 292 | 4 | 2 | 4 | 2.3 | CC1=C(C(=O)OCC2CC2)C(c2cccs2)NC(=O)N1 | 10.1021/acs.jmedchem.0c01431 | ||
| 5130381 | 49040 | 17 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 296 | 3 | 2 | 5 | 2.9 | CC1=C(C(=O)OC(C)C)C(c2cccs2)NC(S)=N1 | 10.1021/ml400185v | ||
| CHEMBL1561375 | 49040 | 17 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 296 | 3 | 2 | 5 | 2.9 | CC1=C(C(=O)OC(C)C)C(c2cccs2)NC(S)=N1 | 10.1021/ml400185v | ||
| 11676113 | 73365 | 0 | None | 2 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 419 | 8 | 2 | 6 | 3.1 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)O)cc3)c(Cl)c2n(CCC)c1=O | 10.1021/jm0506221 | ||
| CHEMBL201523 | 73365 | 0 | None | 2 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 419 | 8 | 2 | 6 | 3.1 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)O)cc3)c(Cl)c2n(CCC)c1=O | 10.1021/jm0506221 | ||
| 25070230 | 202416 | 0 | None | -15 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 295 | 2 | 2 | 5 | 2.7 | Oc1cccc(-c2nc(N3CCCCC3)c3nc[nH]c3n2)c1 | 10.1016/j.bmc.2019.06.034 | ||
| CHEMBL611021 | 202416 | 0 | None | -15 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 295 | 2 | 2 | 5 | 2.7 | Oc1cccc(-c2nc(N3CCCCC3)c3nc[nH]c3n2)c1 | 10.1016/j.bmc.2019.06.034 | ||
| 168288152 | 191806 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 394 | 6 | 1 | 7 | 2.0 | CCCn1c(=O)c2[nH]c(-c3cccc(S(=O)(=O)F)c3)nc2n(CCC)c1=O | 10.1039/d2md00132b | ||
| CHEMBL5198830 | 191806 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 394 | 6 | 1 | 7 | 2.0 | CCCn1c(=O)c2[nH]c(-c3cccc(S(=O)(=O)F)c3)nc2n(CCC)c1=O | 10.1039/d2md00132b | ||
| 67364057 | 74260 | 0 | None | -15 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 295 | 2 | 1 | 5 | 2.9 | Cc1cc(-c2nnc(N)nc2-c2ccc(F)cc2)cc(C)n1 | 10.1021/jm201376w | ||
| CHEMBL2024116 | 74260 | 0 | None | -15 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 295 | 2 | 1 | 5 | 2.9 | Cc1cc(-c2nnc(N)nc2-c2ccc(F)cc2)cc(C)n1 | 10.1021/jm201376w | ||
| 136086750 | 8689 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 349 | 3 | 4 | 6 | 1.9 | N=C1c2c(C(N)=O)nc(-c3ccccc3O)n2CN1c1ccc(O)cc1 | 10.1016/j.bmc.2010.03.048 | ||
| CHEMBL1095872 | 8689 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 349 | 3 | 4 | 6 | 1.9 | N=C1c2c(C(N)=O)nc(-c3ccccc3O)n2CN1c1ccc(O)cc1 | 10.1016/j.bmc.2010.03.048 | ||
| CHEMBL5071873 | 214247 | 0 | None | -20 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | None | None | None | Cn1cc(-c2cnc(N)n3nc(-c4nccs4)nc23)ccc1=O | 10.1021/acsmedchemlett.1c00599 | ||||
| 135489238 | 476 | 1 | None | 30 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 533 | 9 | 2 | 9 | 3.4 | CCCn1c2[nH]c(nc2c(=O)n(c1=O)CCC)c1cc(nn1C)OCC(=O)Nc1ccc(c(c1)Cl)Cl | 10.1021/jm0309654 | ||
| 381 | 476 | 1 | None | 30 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 533 | 9 | 2 | 9 | 3.4 | CCCn1c2[nH]c(nc2c(=O)n(c1=O)CCC)c1cc(nn1C)OCC(=O)Nc1ccc(c(c1)Cl)Cl | 10.1021/jm0309654 | ||
| CHEMBL32802 | 476 | 1 | None | 30 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 533 | 9 | 2 | 9 | 3.4 | CCCn1c2[nH]c(nc2c(=O)n(c1=O)CCC)c1cc(nn1C)OCC(=O)Nc1ccc(c(c1)Cl)Cl | 10.1021/jm0309654 | ||
| 135489238 | 476 | 1 | None | 30 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 533 | 9 | 2 | 9 | 3.4 | CCCn1c2[nH]c(nc2c(=O)n(c1=O)CCC)c1cc(nn1C)OCC(=O)Nc1ccc(c(c1)Cl)Cl | 10.1021/jm0309654 | ||
| 381 | 476 | 1 | None | 30 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 533 | 9 | 2 | 9 | 3.4 | CCCn1c2[nH]c(nc2c(=O)n(c1=O)CCC)c1cc(nn1C)OCC(=O)Nc1ccc(c(c1)Cl)Cl | 10.1021/jm0309654 | ||
| CHEMBL32802 | 476 | 1 | None | 30 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 533 | 9 | 2 | 9 | 3.4 | CCCn1c2[nH]c(nc2c(=O)n(c1=O)CCC)c1cc(nn1C)OCC(=O)Nc1ccc(c(c1)Cl)Cl | 10.1021/jm0309654 | ||
| 66892244 | 158908 | 0 | None | 32 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 491 | 8 | 1 | 9 | 2.2 | CCCn1c(=O)c2[nH]c(-c3cnn(CC4CC(=O)N(c5ccc(OC)cc5)C4)c3)nc2n(CC)c1=O | 10.1016/j.ejmech.2016.11.007 | ||
| CHEMBL4095686 | 158908 | 0 | None | 32 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 491 | 8 | 1 | 9 | 2.2 | CCCn1c(=O)c2[nH]c(-c3cnn(CC4CC(=O)N(c5ccc(OC)cc5)C4)c3)nc2n(CC)c1=O | 10.1016/j.ejmech.2016.11.007 | ||
| 11544506 | 85354 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 332 | 4 | 2 | 7 | 2.6 | O=c1ccc(Nc2ncc(-c3ccncn3)c(-c3ccco3)n2)c[nH]1 | 10.1021/jm061333v | ||
| CHEMBL226238 | 85354 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 332 | 4 | 2 | 7 | 2.6 | O=c1ccc(Nc2ncc(-c3ccncn3)c(-c3ccco3)n2)c[nH]1 | 10.1021/jm061333v | ||
| 24827555 | 166404 | 0 | None | 25 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 445 | 5 | 1 | 8 | 2.6 | CCn1c(=O)n(CC2CC2)c(=O)c2[nH]c(-c3cnn(-c4ccc(C(F)(F)F)nc4)c3)nc21 | 10.1021/jm7014815 | ||
| CHEMBL427736 | 166404 | 0 | None | 25 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 445 | 5 | 1 | 8 | 2.6 | CCn1c(=O)n(CC2CC2)c(=O)c2[nH]c(-c3cnn(-c4ccc(C(F)(F)F)nc4)c3)nc21 | 10.1021/jm7014815 | ||
| 11306173 | 166601 | 0 | None | 26 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 480 | 7 | 1 | 10 | 2.9 | CCCn1c(=O)c2[nH]c(-c3cnn(Cc4nc(-c5ccc(Cl)cc5)no4)c3)nc2n(CC)c1=O | 10.1021/jm7014815 | ||
| CHEMBL428086 | 166601 | 0 | None | 26 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 480 | 7 | 1 | 10 | 2.9 | CCCn1c(=O)c2[nH]c(-c3cnn(Cc4nc(-c5ccc(Cl)cc5)no4)c3)nc2n(CC)c1=O | 10.1021/jm7014815 | ||
| 44574193 | 189226 | 0 | None | 61 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 418 | 5 | 2 | 6 | 2.7 | Cn1c(=O)c2[nH]c(-c3ccc(COC(=O)NCc4ccccc4)cc3)cc2n(C)c1=O | 10.1016/j.bmc.2009.03.062 | ||
| CHEMBL511714 | 189226 | 0 | None | 61 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 418 | 5 | 2 | 6 | 2.7 | Cn1c(=O)c2[nH]c(-c3ccc(COC(=O)NCc4ccccc4)cc3)cc2n(C)c1=O | 10.1016/j.bmc.2009.03.062 | ||
| 11713561 | 72640 | 0 | None | 4 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 536 | 10 | 2 | 6 | 5.7 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(-c5ccccc5)cc4)cc3)cc2n(CCC)c1=O | 10.1021/jm0506221 | ||
| CHEMBL199583 | 72640 | 0 | None | 4 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 536 | 10 | 2 | 6 | 5.7 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(-c5ccccc5)cc4)cc3)cc2n(CCC)c1=O | 10.1021/jm0506221 | ||
| 2690 | 900 | 66 | None | -30 | 9 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 285 | 1 | 1 | 6 | 2.8 | Clc1ccc2c(c1)c1nc(nn1c(n2)N)c1ccco1 | 10.1021/jm900413e | ||
| 384 | 900 | 66 | None | -30 | 9 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 285 | 1 | 1 | 6 | 2.8 | Clc1ccc2c(c1)c1nc(nn1c(n2)N)c1ccco1 | 10.1021/jm900413e | ||
| CHEMBL16687 | 900 | 66 | None | -30 | 9 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 285 | 1 | 1 | 6 | 2.8 | Clc1ccc2c(c1)c1nc(nn1c(n2)N)c1ccco1 | 10.1021/jm900413e | ||
| CHEMBL5084815 | 214913 | 0 | None | 1 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | None | None | None | N#Cc1cccc(-c2nc(Nc3ccccc3)nc(-c3ccccc3)c2C#N)c1 | 10.1021/acs.jmedchem.1c01636 | ||||
| 50941005 | 57250 | 0 | None | -2 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 297 | 5 | 1 | 5 | 3.7 | CCCC(=O)Nc1cc(-c2ccco2)nc(-c2ccco2)n1 | 10.1021/jm100843z | ||
| CHEMBL1650386 | 57250 | 0 | None | -2 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 297 | 5 | 1 | 5 | 3.7 | CCCC(=O)Nc1cc(-c2ccco2)nc(-c2ccco2)n1 | 10.1021/jm100843z | ||
| 11524904 | 73323 | 0 | None | 2 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 436 | 6 | 2 | 6 | 2.1 | Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NCc4ccc(F)cc4)cc3)cc2n(C)c1=O | 10.1021/jm0506221 | ||
| CHEMBL201323 | 73323 | 0 | None | 2 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 436 | 6 | 2 | 6 | 2.1 | Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NCc4ccc(F)cc4)cc3)cc2n(C)c1=O | 10.1021/jm0506221 | ||
| 11576014 | 132982 | 0 | None | 1 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 450 | 8 | 2 | 9 | 2.5 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)n4ccc(N)n4)cc3)cc2n(CCC)c1=O | 10.1021/jm0506221 | ||
| CHEMBL370205 | 132982 | 0 | None | 1 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 450 | 8 | 2 | 9 | 2.5 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)n4ccc(N)n4)cc3)cc2n(CCC)c1=O | 10.1021/jm0506221 | ||
| 44451227 | 96356 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 532 | 10 | 1 | 8 | 2.4 | COCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCc5ccccc5C4)cc3)cc2n(CCOC)c1=O | 10.1016/j.bmc.2008.01.002 | ||
| CHEMBL261790 | 96356 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 532 | 10 | 1 | 8 | 2.4 | COCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCc5ccccc5C4)cc3)cc2n(CCOC)c1=O | 10.1016/j.bmc.2008.01.002 | ||
| 135493280 | 110351 | 0 | None | 28 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 483 | 8 | 2 | 8 | 2.9 | CCCn1c(=O)c2nc(-c3cc(NC(=O)Cc4cccc(Cl)c4)nn3C)[nH]c2n(CCC)c1=O | 10.1021/jm0309654 | ||
| CHEMBL32425 | 110351 | 0 | None | 28 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 483 | 8 | 2 | 8 | 2.9 | CCCn1c(=O)c2nc(-c3cc(NC(=O)Cc4cccc(Cl)c4)nn3C)[nH]c2n(CCC)c1=O | 10.1021/jm0309654 | ||
| 9945226 | 176955 | 0 | None | -69 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 326 | 3 | 1 | 7 | 2.8 | Nc1nc(-c2ccco2)c2nnn(Cc3cccc(Cl)c3)c2n1 | 10.1021/jm800961g | ||
| CHEMBL462488 | 176955 | 0 | None | -69 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 326 | 3 | 1 | 7 | 2.8 | Nc1nc(-c2ccco2)c2nnn(Cc3cccc(Cl)c3)c2n1 | 10.1021/jm800961g | ||
| 10971099 | 57270 | 0 | None | -5 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 387 | 5 | 1 | 8 | 2.9 | CCn1cc2c(nc(NC(=O)Cc3ccccc3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm0109614 | ||
| CHEMBL165073 | 57270 | 0 | None | -5 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 387 | 5 | 1 | 8 | 2.9 | CCn1cc2c(nc(NC(=O)Cc3ccccc3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm0109614 | ||
| 11732736 | 57549 | 0 | None | -24 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 430 | 6 | 2 | 8 | 4.5 | CCCCn1cc2c(nc(NC(=O)Nc3ccc(C)cc3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm0109614 | ||
| CHEMBL166684 | 57549 | 0 | None | -24 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 430 | 6 | 2 | 8 | 4.5 | CCCCn1cc2c(nc(NC(=O)Nc3ccc(C)cc3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm0109614 | ||
| 10971841 | 57445 | 0 | None | -17 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 420 | 5 | 2 | 8 | 3.9 | CCCn1cc2c(nc(NC(=O)Nc3ccc(F)cc3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm0109614 | ||
| CHEMBL165778 | 57445 | 0 | None | -17 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 420 | 5 | 2 | 8 | 3.9 | CCCn1cc2c(nc(NC(=O)Nc3ccc(F)cc3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm0109614 | ||
| 46227994 | 199810 | 0 | None | 6 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 350 | 5 | 1 | 6 | 2.1 | CCn1c(=O)c2[nH]c(Cc3ccccc3)nc2n(Cc2ccco2)c1=O | 10.1016/j.bmc.2009.07.034 | ||
| CHEMBL594255 | 199810 | 0 | None | 6 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 350 | 5 | 1 | 6 | 2.1 | CCn1c(=O)c2[nH]c(Cc3ccccc3)nc2n(Cc2ccco2)c1=O | 10.1016/j.bmc.2009.07.034 | ||
| 12905388 | 91740 | 2 | None | 3 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 194 | 1 | 1 | 5 | -0.6 | CCn1c(=O)c2nc[nH]c2n(C)c1=O | 10.1021/jm0104318 | ||
| CHEMBL24107 | 91740 | 2 | None | 3 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 194 | 1 | 1 | 5 | -0.6 | CCn1c(=O)c2nc[nH]c2n(C)c1=O | 10.1021/jm0104318 | ||
| 135493285 | 99744 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 492 | 9 | 2 | 9 | 2.4 | CCCn1c(=O)c2nc(-c3cc(NC(=O)Cc4ccc(N(C)C)cc4)nn3C)[nH]c2n(CCC)c1=O | 10.1021/jm0309654 | ||
| CHEMBL285151 | 99744 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 492 | 9 | 2 | 9 | 2.4 | CCCn1c(=O)c2nc(-c3cc(NC(=O)Cc4ccc(N(C)C)cc4)nn3C)[nH]c2n(CCC)c1=O | 10.1021/jm0309654 | ||
| 22282339 | 83075 | 3 | None | -234 | 15 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 386 | 4 | 1 | 5 | 5.1 | Cc1cc(C)cc(-c2nc(NC(=O)c3cccnc3)sc2-c2ccncc2)c1 | 10.1021/acsmedchemlett.1c00685 | ||
| CHEMBL2181976 | 83075 | 3 | None | -234 | 15 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 386 | 4 | 1 | 5 | 5.1 | Cc1cc(C)cc(-c2nc(NC(=O)c3cccnc3)sc2-c2ccncc2)c1 | 10.1021/acsmedchemlett.1c00685 | ||
| CHEMBL5084951 | 83075 | 3 | None | -234 | 15 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 386 | 4 | 1 | 5 | 5.1 | Cc1cc(C)cc(-c2nc(NC(=O)c3cccnc3)sc2-c2ccncc2)c1 | 10.1021/acsmedchemlett.1c00685 | ||
| 44406397 | 72876 | 0 | None | 26 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 493 | 8 | 1 | 9 | 3.9 | CCCn1c(=O)c2nc(-c3cnn(Cc4cc(-c5cccc(Cl)c5)on4)c3)[nH]c2n(CCC)c1=O | 10.1016/j.bmcl.2005.10.002 | ||
| CHEMBL200417 | 72876 | 0 | None | 26 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 493 | 8 | 1 | 9 | 3.9 | CCCn1c(=O)c2nc(-c3cnn(Cc4cc(-c5cccc(Cl)c5)on4)c3)[nH]c2n(CCC)c1=O | 10.1016/j.bmcl.2005.10.002 | ||
| 9857422 | 188787 | 0 | None | -85 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 298 | 3 | 1 | 8 | 2.2 | Nc1nc(-c2ccco2)c2nnn(Cc3ccsc3)c2n1 | 10.1021/jm800961g | ||
| CHEMBL506101 | 188787 | 0 | None | -85 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 298 | 3 | 1 | 8 | 2.2 | Nc1nc(-c2ccco2)c2nnn(Cc3ccsc3)c2n1 | 10.1021/jm800961g | ||
| 50940981 | 57258 | 0 | None | -4 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 315 | 4 | 1 | 5 | 4.3 | CCC(=O)Nc1cc(-c2ccsc2)nc(-c2ccsc2)n1 | 10.1021/jm100843z | ||
| CHEMBL1650394 | 57258 | 0 | None | -4 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 315 | 4 | 1 | 5 | 4.3 | CCC(=O)Nc1cc(-c2ccsc2)nc(-c2ccsc2)n1 | 10.1021/jm100843z | ||
| 10928182 | 57422 | 0 | None | -15 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 432 | 6 | 2 | 9 | 3.8 | CCCn1cc2c(nc(NC(=O)Nc3ccccc3OC)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm0109614 | ||
| CHEMBL165560 | 57422 | 0 | None | -15 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 432 | 6 | 2 | 9 | 3.8 | CCCn1cc2c(nc(NC(=O)Nc3ccccc3OC)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm0109614 | ||
| 11014188 | 118457 | 0 | None | -6 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 373 | 4 | 1 | 8 | 2.5 | Cn1cc2c(nc(NC(=O)Cc3ccccc3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm0109614 | ||
| CHEMBL341376 | 118457 | 0 | None | -6 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 373 | 4 | 1 | 8 | 2.5 | Cn1cc2c(nc(NC(=O)Cc3ccccc3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm0109614 | ||
| 11014188 | 118457 | 0 | None | -6 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 373 | 4 | 1 | 8 | 2.5 | Cn1cc2c(nc(NC(=O)Cc3ccccc3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm030852k | ||
| CHEMBL341376 | 118457 | 0 | None | -6 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 373 | 4 | 1 | 8 | 2.5 | Cn1cc2c(nc(NC(=O)Cc3ccccc3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm030852k | ||
| 11524240 | 72569 | 0 | None | 1 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 404 | 5 | 2 | 6 | 2.3 | Cn1c(=O)c2[nH]c(-c3cccc(OCC(=O)Nc4ccccc4)c3)cc2n(C)c1=O | 10.1021/jm0506221 | ||
| CHEMBL199330 | 72569 | 0 | None | 1 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 404 | 5 | 2 | 6 | 2.3 | Cn1c(=O)c2[nH]c(-c3cccc(OCC(=O)Nc4ccccc4)c3)cc2n(C)c1=O | 10.1021/jm0506221 | ||
| 15578102 | 173205 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 271 | 1 | 1 | 6 | 0.9 | Cn1c(=O)c2c(cc(-c3ccccc3)n2O)n(C)c1=O | 10.1016/j.bmc.2008.09.067 | ||
| CHEMBL452359 | 173205 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 271 | 1 | 1 | 6 | 0.9 | Cn1c(=O)c2c(cc(-c3ccccc3)n2O)n(C)c1=O | 10.1016/j.bmc.2008.09.067 | ||
| 50940976 | 57244 | 0 | None | -316 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 391 | 4 | 1 | 7 | 3.6 | CCC(=O)Nc1cc(-c2ccc3c(c2)OCO3)nc(-c2ccc3c(c2)OCO3)n1 | 10.1021/jm100843z | ||
| CHEMBL1650380 | 57244 | 0 | None | -316 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 391 | 4 | 1 | 7 | 3.6 | CCC(=O)Nc1cc(-c2ccc3c(c2)OCO3)nc(-c2ccc3c(c2)OCO3)n1 | 10.1021/jm100843z | ||
| 10052252 | 96602 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 516 | 10 | 1 | 10 | 4.0 | CCCn1c(=O)c2nc(-c3ccc(OCc4nc(-c5cccc(OC)c5)no4)cc3)[nH]c2n(CCC)c1=O | 10.1016/j.bmcl.2004.11.044 | ||
| CHEMBL263494 | 96602 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 516 | 10 | 1 | 10 | 4.0 | CCCn1c(=O)c2nc(-c3ccc(OCc4nc(-c5cccc(OC)c5)no4)cc3)[nH]c2n(CCC)c1=O | 10.1016/j.bmcl.2004.11.044 | ||
| 44451197 | 95861 | 0 | None | 39 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 474 | 5 | 1 | 7 | 2.2 | COc1cc(-c2cc3c([nH]2)c(=O)n(C)c(=O)n3C)ccc1OCC(=O)N1CCc2ccccc2C1 | 10.1016/j.bmc.2008.01.002 | ||
| CHEMBL259155 | 95861 | 0 | None | 39 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 474 | 5 | 1 | 7 | 2.2 | COc1cc(-c2cc3c([nH]2)c(=O)n(C)c(=O)n3C)ccc1OCC(=O)N1CCc2ccccc2C1 | 10.1016/j.bmc.2008.01.002 | ||
| 11716665 | 2268 | 37 | None | 58 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 316 | 4 | 1 | 7 | 3.3 | n1ccc(nc1)c1cnc(nc1c1ccco1)Nc1cccnc1 | 10.1021/jm061333v | ||
| 5617 | 2268 | 37 | None | 58 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 316 | 4 | 1 | 7 | 3.3 | n1ccc(nc1)c1cnc(nc1c1ccco1)Nc1cccnc1 | 10.1021/jm061333v | ||
| CHEMBL375293 | 2268 | 37 | None | 58 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 316 | 4 | 1 | 7 | 3.3 | n1ccc(nc1)c1cnc(nc1c1ccco1)Nc1cccnc1 | 10.1021/jm061333v | ||
| 11716665 | 2268 | 37 | None | 58 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 316 | 4 | 1 | 7 | 3.3 | n1ccc(nc1)c1cnc(nc1c1ccco1)Nc1cccnc1 | 10.1016/j.bmcl.2010.01.045 | ||
| 5617 | 2268 | 37 | None | 58 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 316 | 4 | 1 | 7 | 3.3 | n1ccc(nc1)c1cnc(nc1c1ccco1)Nc1cccnc1 | 10.1016/j.bmcl.2010.01.045 | ||
| CHEMBL375293 | 2268 | 37 | None | 58 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 316 | 4 | 1 | 7 | 3.3 | n1ccc(nc1)c1cnc(nc1c1ccco1)Nc1cccnc1 | 10.1016/j.bmcl.2010.01.045 | ||
| 155533829 | 171858 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 391 | 3 | 1 | 6 | 4.4 | CC1=C(C(=O)O[C@H](C)C(F)(F)F)C(c2ccco2)n2c(nc3ccccc32)N1 | 10.1021/acs.jmedchem.9b01340 | ||
| CHEMBL4469484 | 171858 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 391 | 3 | 1 | 6 | 4.4 | CC1=C(C(=O)O[C@H](C)C(F)(F)F)C(c2ccco2)n2c(nc3ccccc32)N1 | 10.1021/acs.jmedchem.9b01340 | ||
| 11678808 | 73009 | 0 | None | 16 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 600 | 11 | 2 | 8 | 4.8 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(S(=O)(=O)c5ccccc5)cc4)cc3)cc2n(CCC)c1=O | 10.1021/jm0506221 | ||
| CHEMBL201042 | 73009 | 0 | None | 16 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 600 | 11 | 2 | 8 | 4.8 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(S(=O)(=O)c5ccccc5)cc4)cc3)cc2n(CCC)c1=O | 10.1021/jm0506221 | ||
| 66894039 | 156533 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 545 | 8 | 1 | 9 | 3.1 | CCCn1c(=O)c2[nH]c(-c3cnn(CC4CC(=O)N(c5cccc(OC(F)(F)F)c5)C4)c3)nc2n(CC)c1=O | 10.1016/j.ejmech.2016.11.007 | ||
| CHEMBL4068331 | 156533 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 545 | 8 | 1 | 9 | 3.1 | CCCn1c(=O)c2[nH]c(-c3cnn(CC4CC(=O)N(c5cccc(OC(F)(F)F)c5)C4)c3)nc2n(CC)c1=O | 10.1016/j.ejmech.2016.11.007 | ||
| 44236657 | 156311 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 460 | 7 | 2 | 8 | 2.3 | CCCn1c(=O)c2[nH]c(-c3cnn(CC#Cc4ccc(C(=O)O)cc4)c3)nc2n(CCC)c1=O | 10.1016/j.ejmech.2017.04.014 | ||
| CHEMBL4065780 | 156311 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 460 | 7 | 2 | 8 | 2.3 | CCCn1c(=O)c2[nH]c(-c3cnn(CC#Cc4ccc(C(=O)O)cc4)c3)nc2n(CCC)c1=O | 10.1016/j.ejmech.2017.04.014 | ||
| 22266759 | 94537 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 451 | 6 | 2 | 8 | 3.0 | CCCn1c(=O)[nH]c2nc(-c3cnn(Cc4cc(-c5ccc(Cl)cc5)on4)c3)[nH]c2c1=O | 10.1016/j.bmcl.2008.01.008 | ||
| CHEMBL251879 | 94537 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 451 | 6 | 2 | 8 | 3.0 | CCCn1c(=O)[nH]c2nc(-c3cnn(Cc4cc(-c5ccc(Cl)cc5)on4)c3)[nH]c2c1=O | 10.1016/j.bmcl.2008.01.008 | ||
| 24950370 | 178694 | 0 | None | -15 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 261 | 2 | 1 | 4 | 3.5 | N#Cc1c(-c2ccccc2)cc(-c2ccco2)nc1N | 10.1021/jm701594y | ||
| CHEMBL468370 | 178694 | 0 | None | -15 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 261 | 2 | 1 | 4 | 3.5 | N#Cc1c(-c2ccccc2)cc(-c2ccco2)nc1N | 10.1021/jm701594y | ||
| 11067937 | 203598 | 0 | None | -5 | 3 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 344 | 5 | 0 | 6 | 2.0 | C=CCn1c(=O)c2c(nc(-c3ccccc3)n2CCCl)n(C)c1=O | 10.1021/jm0104318 | ||
| CHEMBL67110 | 203598 | 0 | None | -5 | 3 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 344 | 5 | 0 | 6 | 2.0 | C=CCn1c(=O)c2c(nc(-c3ccccc3)n2CCCl)n(C)c1=O | 10.1021/jm0104318 | ||
| 9798466 | 134253 | 1 | None | -218 | 6 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 349 | 4 | 1 | 3 | 3.3 | Cc1ccc(N2CCN(CC[C@@H]3NC(=O)c4ccccc43)CC2)cc1C | 10.1016/s0960-894x(98)00252-2 | ||
| CHEMBL37170 | 134253 | 1 | None | -218 | 6 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 349 | 4 | 1 | 3 | 3.3 | Cc1ccc(N2CCN(CC[C@@H]3NC(=O)c4ccccc43)CC2)cc1C | 10.1016/s0960-894x(98)00252-2 | ||
| 72697932 | 104000 | 0 | None | -54 | 5 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 341 | 2 | 0 | 7 | 1.1 | C#CCn1c(=O)c2c(nc3n2CCCN3C2CCCCC2)n(C)c1=O | 10.1016/j.bmc.2013.09.044 | ||
| CHEMBL3093321 | 104000 | 0 | None | -54 | 5 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 341 | 2 | 0 | 7 | 1.1 | C#CCn1c(=O)c2c(nc3n2CCCN3C2CCCCC2)n(C)c1=O | 10.1016/j.bmc.2013.09.044 | ||
| 9824812 | 121116 | 0 | None | -67 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 446 | 4 | 2 | 9 | 4.1 | COc1ccc(NC(=O)Nc2nc3nn(C(C)(C)C)cc3c3nc(-c4ccco4)nn23)cc1 | 10.1021/jm001047y | ||
| CHEMBL357663 | 121116 | 0 | None | -67 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 446 | 4 | 2 | 9 | 4.1 | COc1ccc(NC(=O)Nc2nc3nn(C(C)(C)C)cc3c3nc(-c4ccco4)nn23)cc1 | 10.1021/jm001047y | ||
| 22446266 | 203566 | 2 | None | 1 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 236 | 4 | 1 | 5 | 0.7 | CCCCn1c(=O)c2nc[nH]c2n(CC)c1=O | 10.1021/jm0104318 | ||
| CHEMBL66881 | 203566 | 2 | None | 1 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 236 | 4 | 1 | 5 | 0.7 | CCCCn1c(=O)c2nc[nH]c2n(CC)c1=O | 10.1021/jm0104318 | ||
| 45273118 | 196448 | 0 | None | 1 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 520 | 11 | 2 | 9 | 2.7 | CCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(N(C)C)cc4)cc3)nc2n(CCCOC)c1=O | 10.1016/j.bmc.2009.03.029 | ||
| CHEMBL563259 | 196448 | 0 | None | 1 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 520 | 11 | 2 | 9 | 2.7 | CCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(N(C)C)cc4)cc3)nc2n(CCCOC)c1=O | 10.1016/j.bmc.2009.03.029 | ||
| 11685118 | 72999 | 0 | None | -3 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 526 | 10 | 2 | 6 | 4.5 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NCc4ccc(F)cc4)cc3)c(Cl)c2n(CCC)c1=O | 10.1021/jm0506221 | ||
| CHEMBL201006 | 72999 | 0 | None | -3 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 526 | 10 | 2 | 6 | 4.5 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NCc4ccc(F)cc4)cc3)c(Cl)c2n(CCC)c1=O | 10.1021/jm0506221 | ||
| 44451106 | 166359 | 0 | None | 4 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 411 | 4 | 1 | 7 | 0.4 | CN1CCN(C(=O)COc2ccc(-c3cc4c([nH]3)c(=O)n(C)c(=O)n4C)cc2)CC1 | 10.1016/j.bmc.2008.01.002 | ||
| CHEMBL427602 | 166359 | 0 | None | 4 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 411 | 4 | 1 | 7 | 0.4 | CN1CCN(C(=O)COc2ccc(-c3cc4c([nH]3)c(=O)n(C)c(=O)n4C)cc2)CC1 | 10.1016/j.bmc.2008.01.002 | ||
| 1892 | 204022 | 78 | None | 34 | 3 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 224 | 2 | 1 | 7 | -1.6 | Cn1c(=O)c2c(ncn2CCO)n(C)c1=O | 10.1021/jm0104318 | ||
| CHEMBL699 | 204022 | 78 | None | 34 | 3 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 224 | 2 | 1 | 7 | -1.6 | Cn1c(=O)c2c(ncn2CCO)n(C)c1=O | 10.1021/jm0104318 | ||
| 44452695 | 159538 | 0 | None | -52 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 331 | 4 | 1 | 7 | 3.7 | c1coc(CNc2nc3ccccc3n3nc(-c4ccco4)nc23)c1 | 10.1016/j.bmc.2007.10.103 | ||
| CHEMBL410264 | 159538 | 0 | None | -52 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 331 | 4 | 1 | 7 | 3.7 | c1coc(CNc2nc3ccccc3n3nc(-c4ccco4)nc23)c1 | 10.1016/j.bmc.2007.10.103 | ||
| 10379032 | 7489 | 0 | None | -4 | 4 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 282 | 3 | 1 | 5 | 1.3 | C=CCn1c(=O)c2[nH]c(-c3ccccc3)nc2n(C)c1=O | 10.1021/jm0104318 | ||
| CHEMBL10873 | 7489 | 0 | None | -4 | 4 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 282 | 3 | 1 | 5 | 1.3 | C=CCn1c(=O)c2[nH]c(-c3ccccc3)nc2n(C)c1=O | 10.1021/jm0104318 | ||
| 72697789 | 103994 | 0 | None | -15 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 355 | 3 | 0 | 8 | 1.0 | C#CCn1c(=O)c2c(nc3n2CCCN3Cc2cccs2)n(C)c1=O | 10.1016/j.bmc.2013.09.044 | ||
| CHEMBL3093315 | 103994 | 0 | None | -15 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 355 | 3 | 0 | 8 | 1.0 | C#CCn1c(=O)c2c(nc3n2CCCN3Cc2cccs2)n(C)c1=O | 10.1016/j.bmc.2013.09.044 | ||
| 136002187 | 108804 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 275 | 1 | 2 | 8 | -1.1 | Cn1nc(-c2nc3c(=O)n(C)c(=O)n(C)c3[nH]2)cc1N | 10.1021/jm0309654 | ||
| CHEMBL32098 | 108804 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 275 | 1 | 2 | 8 | -1.1 | Cn1nc(-c2nc3c(=O)n(C)c(=O)n(C)c3[nH]2)cc1N | 10.1021/jm0309654 | ||
| 156014066 | 177231 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 354 | 3 | 1 | 7 | 3.7 | CC1=C(C(=O)OC(C)C)C(c2ccns2)n2c(nc3ccccc32)N1 | 10.1021/acs.jmedchem.0c00564 | ||
| CHEMBL4636018 | 177231 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 354 | 3 | 1 | 7 | 3.7 | CC1=C(C(=O)OC(C)C)C(c2ccns2)n2c(nc3ccccc32)N1 | 10.1021/acs.jmedchem.0c00564 | ||
| 11133804 | 119999 | 0 | None | -13 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 432 | 6 | 2 | 9 | 3.8 | CCCn1cc2c(nc(NC(=O)Nc3cccc(OC)c3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm0109614 | ||
| CHEMBL350261 | 119999 | 0 | None | -13 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 432 | 6 | 2 | 9 | 3.8 | CCCn1cc2c(nc(NC(=O)Nc3cccc(OC)c3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm0109614 | ||
| 3645619 | 3012 | 20 | None | -112 | 9 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 334 | 4 | 1 | 4 | 2.4 | N#Cc1ccccc1N1CCN(CC1)CNC(=O)c1cccc(c1)C | 10.1021/jm970021c | ||
| 975 | 3012 | 20 | None | -112 | 9 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 334 | 4 | 1 | 4 | 2.4 | N#Cc1ccccc1N1CCN(CC1)CNC(=O)c1cccc(c1)C | 10.1021/jm970021c | ||
| CHEMBL45244 | 3012 | 20 | None | -112 | 9 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 334 | 4 | 1 | 4 | 2.4 | N#Cc1ccccc1N1CCN(CC1)CNC(=O)c1cccc(c1)C | 10.1021/jm970021c | ||
| CHEMBL5072422 | 214257 | 0 | None | -41 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | None | None | None | N#Cc1c(-c2ccccc2)nc(N)nc1-c1cccc(Cl)c1 | 10.1021/acs.jmedchem.1c01636 | ||||
| 101420 | 162015 | 17 | None | 1 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 208 | 2 | 1 | 5 | -0.1 | CCn1c(=O)c2nc[nH]c2n(CC)c1=O | 10.1021/jm0104318 | ||
| CHEMBL416013 | 162015 | 17 | None | 1 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 208 | 2 | 1 | 5 | -0.1 | CCn1c(=O)c2nc[nH]c2n(CC)c1=O | 10.1021/jm0104318 | ||
| 9836304 | 176891 | 0 | None | -7 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 310 | 3 | 2 | 7 | 1.4 | Nc1nc(-c2cc[nH]n2)c2nnn(Cc3ccccc3F)c2n1 | 10.1021/jm800961g | ||
| CHEMBL461858 | 176891 | 0 | None | -7 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 310 | 3 | 2 | 7 | 1.4 | Nc1nc(-c2cc[nH]n2)c2nnn(Cc3ccccc3F)c2n1 | 10.1021/jm800961g | ||
| 145993861 | 167374 | 0 | None | -1 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 567 | 15 | 1 | 10 | 2.5 | CCCn1c(=O)c2c(nc3n2CCCN3CCc2ccc(OCC(=O)NCCN(CC)CC)cc2)n(CCC)c1=O | 10.1039/C8MD00070K | ||
| CHEMBL4295248 | 167374 | 0 | None | -1 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 567 | 15 | 1 | 10 | 2.5 | CCCn1c(=O)c2c(nc3n2CCCN3CCc2ccc(OCC(=O)NCCN(CC)CC)cc2)n(CCC)c1=O | 10.1039/C8MD00070K | ||
| 135522367 | 110636 | 0 | None | 31 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 493 | 8 | 2 | 10 | 2.0 | CCCn1c(=O)c2nc(-c3cc(NC(=O)Cc4ccc5c(c4)OCO5)nn3C)[nH]c2n(CCC)c1=O | 10.1021/jm0309654 | ||
| CHEMBL32591 | 110636 | 0 | None | 31 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 493 | 8 | 2 | 10 | 2.0 | CCCn1c(=O)c2nc(-c3cc(NC(=O)Cc4ccc5c(c4)OCO5)nn3C)[nH]c2n(CCC)c1=O | 10.1021/jm0309654 | ||
| 135522367 | 110636 | 0 | None | 31 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 493 | 8 | 2 | 10 | 2.0 | CCCn1c(=O)c2nc(-c3cc(NC(=O)Cc4ccc5c(c4)OCO5)nn3C)[nH]c2n(CCC)c1=O | 10.1021/jm0309654 | ||
| CHEMBL32591 | 110636 | 0 | None | 31 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 493 | 8 | 2 | 10 | 2.0 | CCCn1c(=O)c2nc(-c3cc(NC(=O)Cc4ccc5c(c4)OCO5)nn3C)[nH]c2n(CCC)c1=O | 10.1021/jm0309654 | ||
| 11608581 | 72451 | 0 | None | 4 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 258 | 3 | 1 | 8 | 0.5 | CCCc1nc(N)c2nc(-n3nccn3)n(C)c2n1 | 10.1021/jm058018d | ||
| CHEMBL198942 | 72451 | 0 | None | 4 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 258 | 3 | 1 | 8 | 0.5 | CCCc1nc(N)c2nc(-n3nccn3)n(C)c2n1 | 10.1021/jm058018d | ||
| 10150517 | 94701 | 0 | None | 15 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 382 | 6 | 2 | 6 | 2.3 | CCCCn1c(=O)[nH]c2nc(-c3cnn(Cc4cccc(F)c4)c3)[nH]c2c1=O | 10.1016/j.bmcl.2008.01.008 | ||
| CHEMBL253048 | 94701 | 0 | None | 15 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 382 | 6 | 2 | 6 | 2.3 | CCCCn1c(=O)[nH]c2nc(-c3cnn(Cc4cccc(F)c4)c3)[nH]c2c1=O | 10.1016/j.bmcl.2008.01.008 | ||
| 136042355 | 71119 | 0 | None | 12 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 462 | 8 | 2 | 9 | 2.6 | CCCn1c(=O)c2[nH]c(-c3cc(OCc4nc5ccccc5[nH]4)nn3C)nc2n(CCC)c1=O | 10.1021/jm201292w | ||
| CHEMBL1955897 | 71119 | 0 | None | 12 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 462 | 8 | 2 | 9 | 2.6 | CCCn1c(=O)c2[nH]c(-c3cc(OCc4nc5ccccc5[nH]4)nn3C)nc2n(CCC)c1=O | 10.1021/jm201292w | ||
| 44406642 | 72731 | 0 | None | 53 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 485 | 8 | 1 | 11 | 2.5 | CCCn1c(=O)c2nc(-c3cnn(Cc4nc(-c5ccc(C#N)cc5)no4)c3)[nH]c2n(CCC)c1=O | 10.1016/j.bmcl.2005.10.002 | ||
| CHEMBL199908 | 72731 | 0 | None | 53 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 485 | 8 | 1 | 11 | 2.5 | CCCn1c(=O)c2nc(-c3cnn(Cc4nc(-c5ccc(C#N)cc5)no4)c3)[nH]c2n(CCC)c1=O | 10.1016/j.bmcl.2005.10.002 | ||
| 24827553 | 95997 | 0 | None | 24 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 433 | 5 | 1 | 8 | 2.6 | CCCn1c(=O)c2[nH]c(-c3cnn(-c4ccc(C(F)(F)F)nc4)c3)nc2n(CC)c1=O | 10.1021/jm7014815 | ||
| CHEMBL259772 | 95997 | 0 | None | 24 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 433 | 5 | 1 | 8 | 2.6 | CCCn1c(=O)c2[nH]c(-c3cnn(-c4ccc(C(F)(F)F)nc4)c3)nc2n(CC)c1=O | 10.1021/jm7014815 | ||
| 53248698 | 60693 | 0 | None | 5 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 534 | 6 | 1 | 6 | 4.8 | CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)[C@@H]3CCN(C(=O)c4cccc(C(F)(F)F)c4)C3)sc12 | 10.1016/j.bmcl.2011.02.053 | ||
| CHEMBL1760886 | 60693 | 0 | None | 5 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 534 | 6 | 1 | 6 | 4.8 | CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)[C@@H]3CCN(C(=O)c4cccc(C(F)(F)F)c4)C3)sc12 | 10.1016/j.bmcl.2011.02.053 | ||
| 53248699 | 63073 | 0 | None | 3 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 548 | 8 | 2 | 6 | 6.0 | CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)[C@H]3CC[C@H](NCc4cccc(C(F)(F)F)c4)CC3)sc12 | 10.1016/j.bmcl.2011.02.053 | ||
| CHEMBL1760897 | 63073 | 0 | None | 3 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 548 | 8 | 2 | 6 | 6.0 | CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)[C@H]3CC[C@H](NCc4cccc(C(F)(F)F)c4)CC3)sc12 | 10.1016/j.bmcl.2011.02.053 | ||
| CHEMBL1789197 | 63073 | 0 | None | 3 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 548 | 8 | 2 | 6 | 6.0 | CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)[C@H]3CC[C@H](NCc4cccc(C(F)(F)F)c4)CC3)sc12 | 10.1016/j.bmcl.2011.02.053 | ||
| 49797749 | 10589 | 0 | None | 3 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 435 | 6 | 1 | 7 | 4.1 | CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(-n4cccn4)cc3)sc12 | 10.1016/j.bmcl.2010.05.056 | ||
| CHEMBL1170136 | 10589 | 0 | None | 3 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 435 | 6 | 1 | 7 | 4.1 | CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(-n4cccn4)cc3)sc12 | 10.1016/j.bmcl.2010.05.056 | ||
| 49798139 | 10640 | 0 | None | 5 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 495 | 6 | 1 | 7 | 3.3 | CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(C(=O)N4CCN(C)CC4)cc3)sc12 | 10.1016/j.bmcl.2010.05.056 | ||
| CHEMBL1170583 | 10640 | 0 | None | 5 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 495 | 6 | 1 | 7 | 3.3 | CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(C(=O)N4CCN(C)CC4)cc3)sc12 | 10.1016/j.bmcl.2010.05.056 | ||
| 11575498 | 78290 | 0 | None | 1 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 426 | 7 | 1 | 7 | 3.3 | CCCn1c(=O)c2nc(-c3cnn(Cc4cccc(Cl)c4)c3)[nH]c2n(CCC)c1=O | 10.1021/jm051268+ | ||
| CHEMBL210938 | 78290 | 0 | None | 1 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 426 | 7 | 1 | 7 | 3.3 | CCCn1c(=O)c2nc(-c3cnn(Cc4cccc(Cl)c4)c3)[nH]c2n(CCC)c1=O | 10.1021/jm051268+ | ||
| 11582697 | 140133 | 0 | None | -2 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 426 | 7 | 1 | 7 | 3.3 | CCCn1c(=O)c2nc(-c3cnn(Cc4ccc(Cl)cc4)c3)[nH]c2n(CCC)c1=O | 10.1021/jm051268+ | ||
| CHEMBL380284 | 140133 | 0 | None | -2 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 426 | 7 | 1 | 7 | 3.3 | CCCn1c(=O)c2nc(-c3cnn(Cc4ccc(Cl)cc4)c3)[nH]c2n(CCC)c1=O | 10.1021/jm051268+ | ||
| 136042355 | 71119 | 0 | None | 12 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 462 | 8 | 2 | 9 | 2.6 | CCCn1c(=O)c2[nH]c(-c3cc(OCc4nc5ccccc5[nH]4)nn3C)nc2n(CCC)c1=O | 10.1021/jm201292w | ||
| CHEMBL1955897 | 71119 | 0 | None | 12 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 462 | 8 | 2 | 9 | 2.6 | CCCn1c(=O)c2[nH]c(-c3cc(OCc4nc5ccccc5[nH]4)nn3C)nc2n(CCC)c1=O | 10.1021/jm201292w | ||
| 155561189 | 175637 | 0 | None | 2 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 377 | 5 | 2 | 6 | 0.7 | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N(C)C)cc3)[nH]c2c1=O | 10.1021/acs.jmedchem.9b00071 | ||
| CHEMBL4581448 | 175637 | 0 | None | 2 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 377 | 5 | 2 | 6 | 0.7 | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N(C)C)cc3)[nH]c2c1=O | 10.1021/acs.jmedchem.9b00071 | ||
| 11591558 | 73012 | 0 | None | 1 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 508 | 9 | 2 | 6 | 5.0 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(C)cc4)cc3)c(Cl)c2n(CCC)c1=O | 10.1021/jm0506221 | ||
| CHEMBL201054 | 73012 | 0 | None | 1 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 508 | 9 | 2 | 6 | 5.0 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(C)cc4)cc3)c(Cl)c2n(CCC)c1=O | 10.1021/jm0506221 | ||
| 128784 | 51773 | 45 | None | -2 | 5 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 312 | 5 | 1 | 5 | 2.4 | CCCn1c(=O)c2nc(-c3ccccc3)[nH]c2n(CCC)c1=O | 10.1021/jm0104318 | ||
| CHEMBL158507 | 51773 | 45 | None | -2 | 5 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 312 | 5 | 1 | 5 | 2.4 | CCCn1c(=O)c2nc(-c3ccccc3)[nH]c2n(CCC)c1=O | 10.1021/jm0104318 | ||
| 128784 | 51773 | 45 | None | -2 | 5 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 312 | 5 | 1 | 5 | 2.4 | CCCn1c(=O)c2nc(-c3ccccc3)[nH]c2n(CCC)c1=O | 10.1021/jm0310030 | ||
| CHEMBL158507 | 51773 | 45 | None | -2 | 5 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 312 | 5 | 1 | 5 | 2.4 | CCCn1c(=O)c2nc(-c3ccccc3)[nH]c2n(CCC)c1=O | 10.1021/jm0310030 | ||
| 11102838 | 169010 | 0 | None | -3 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 475 | 7 | 1 | 9 | 4.4 | CSc1c2c(nc(NC(=O)Cc3ccc(CC(C)C)cc3)n3nc(-c4ccco4)nc23)nn1C | 10.1021/jm021023m | ||
| CHEMBL439447 | 169010 | 0 | None | -3 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 475 | 7 | 1 | 9 | 4.4 | CSc1c2c(nc(NC(=O)Cc3ccc(CC(C)C)cc3)n3nc(-c4ccco4)nc23)nn1C | 10.1021/jm021023m | ||
| 11133545 | 120444 | 0 | None | -13 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 419 | 4 | 2 | 10 | 2.8 | Cn1cc2c(nc(NC(=O)Nc3ccc([N+](=O)[O-])cc3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm0109614 | ||
| CHEMBL354161 | 120444 | 0 | None | -13 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 419 | 4 | 2 | 10 | 2.8 | Cn1cc2c(nc(NC(=O)Nc3ccc([N+](=O)[O-])cc3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm0109614 | ||
| CHEMBL5081556 | 214730 | 0 | None | -5 | 5 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | None | None | None | Nc1nc(-c2ccccc2)c2c(n1)-c1ccc(OCCCN3CCCC3)cc1C2=O | 10.1021/acs.jmedchem.0c00914 | ||||
| 4882 | 2086 | 82 | None | -104 | 6 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 384 | 6 | 0 | 8 | 2.1 | COc1cc(/C=C/c2nc3c(n2C)c(=O)n(c(=O)n3CC)CC)ccc1OC | 10.1021/acs.jmedchem.0c00237 | ||
| 5311037 | 2086 | 82 | None | -104 | 6 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 384 | 6 | 0 | 8 | 2.1 | COc1cc(/C=C/c2nc3c(n2C)c(=O)n(c(=O)n3CC)CC)ccc1OC | 10.1021/acs.jmedchem.0c00237 | ||
| 5608 | 2086 | 82 | None | -104 | 6 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 384 | 6 | 0 | 8 | 2.1 | COc1cc(/C=C/c2nc3c(n2C)c(=O)n(c(=O)n3CC)CC)ccc1OC | 10.1021/acs.jmedchem.0c00237 | ||
| CHEMBL431770 | 2086 | 82 | None | -104 | 6 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 384 | 6 | 0 | 8 | 2.1 | COc1cc(/C=C/c2nc3c(n2C)c(=O)n(c(=O)n3CC)CC)ccc1OC | 10.1021/acs.jmedchem.0c00237 | ||
| DB11757 | 2086 | 82 | None | -104 | 6 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 384 | 6 | 0 | 8 | 2.1 | COc1cc(/C=C/c2nc3c(n2C)c(=O)n(c(=O)n3CC)CC)ccc1OC | 10.1021/acs.jmedchem.0c00237 | ||
| 4882 | 2086 | 82 | None | -104 | 6 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 384 | 6 | 0 | 8 | 2.1 | COc1cc(/C=C/c2nc3c(n2C)c(=O)n(c(=O)n3CC)CC)ccc1OC | 10.1021/jm4011669 | ||
| 5311037 | 2086 | 82 | None | -104 | 6 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 384 | 6 | 0 | 8 | 2.1 | COc1cc(/C=C/c2nc3c(n2C)c(=O)n(c(=O)n3CC)CC)ccc1OC | 10.1021/jm4011669 | ||
| 5608 | 2086 | 82 | None | -104 | 6 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 384 | 6 | 0 | 8 | 2.1 | COc1cc(/C=C/c2nc3c(n2C)c(=O)n(c(=O)n3CC)CC)ccc1OC | 10.1021/jm4011669 | ||
| CHEMBL431770 | 2086 | 82 | None | -104 | 6 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 384 | 6 | 0 | 8 | 2.1 | COc1cc(/C=C/c2nc3c(n2C)c(=O)n(c(=O)n3CC)CC)ccc1OC | 10.1021/jm4011669 | ||
| DB11757 | 2086 | 82 | None | -104 | 6 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 384 | 6 | 0 | 8 | 2.1 | COc1cc(/C=C/c2nc3c(n2C)c(=O)n(c(=O)n3CC)CC)ccc1OC | 10.1021/jm4011669 | ||
| 11144868 | 119846 | 0 | None | -12 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 452 | 3 | 2 | 8 | 3.7 | Cn1cc2c(nc(NC(=O)Nc3ccc(Br)cc3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm0109614 | ||
| CHEMBL348925 | 119846 | 0 | None | -12 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 452 | 3 | 2 | 8 | 3.7 | Cn1cc2c(nc(NC(=O)Nc3ccc(Br)cc3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm0109614 | ||
| 21874681 | 189074 | 0 | None | -114 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 321 | 4 | 2 | 8 | 2.2 | CNc1ccc(Cn2nnc3c(-c4ccco4)nc(N)nc32)cc1 | 10.1021/jm800961g | ||
| CHEMBL510134 | 189074 | 0 | None | -114 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 321 | 4 | 2 | 8 | 2.2 | CNc1ccc(Cn2nnc3c(-c4ccco4)nc(N)nc32)cc1 | 10.1021/jm800961g | ||
| 2882039 | 28207 | 11 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 294 | 3 | 1 | 4 | 2.7 | CC1=C(C(=O)OC(C)C)C(c2ccsc2)NC(=O)N1C | 10.1021/ml400185v | ||
| CHEMBL1373953 | 28207 | 11 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 294 | 3 | 1 | 4 | 2.7 | CC1=C(C(=O)OC(C)C)C(c2ccsc2)NC(=O)N1C | 10.1021/ml400185v | ||
| 12267225 | 141604 | 0 | None | -3 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 255 | 1 | 1 | 4 | 1.2 | Cn1c(=O)c2[nH]c(-c3ccccc3)cc2n(C)c1=O | 10.1016/j.bmc.2008.09.067 | ||
| CHEMBL38528 | 141604 | 0 | None | -3 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 255 | 1 | 1 | 4 | 1.2 | Cn1c(=O)c2[nH]c(-c3ccccc3)cc2n(C)c1=O | 10.1016/j.bmc.2008.09.067 | ||
| 44390549 | 63457 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 520 | 9 | 1 | 9 | 4.7 | CCCn1c(=O)c2nc(-c3ccc(OCc4nc(-c5ccccc5Cl)no4)cc3)[nH]c2n(CCC)c1=O | 10.1016/j.bmcl.2004.11.044 | ||
| CHEMBL179932 | 63457 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 520 | 9 | 1 | 9 | 4.7 | CCCn1c(=O)c2nc(-c3ccc(OCc4nc(-c5ccccc5Cl)no4)cc3)[nH]c2n(CCC)c1=O | 10.1016/j.bmcl.2004.11.044 | ||
| 45268869 | 195528 | 0 | None | -48 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 328 | 4 | 2 | 5 | 2.9 | Nc1nc(C(=O)NCc2cccc(Cl)c2)cc(-c2ccco2)n1 | 10.1016/j.bmcl.2009.03.142 | ||
| CHEMBL554623 | 195528 | 0 | None | -48 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 328 | 4 | 2 | 5 | 2.9 | Nc1nc(C(=O)NCc2cccc(Cl)c2)cc(-c2ccco2)n1 | 10.1016/j.bmcl.2009.03.142 | ||
| 44520985 | 199835 | 0 | None | -338 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 340 | 5 | 2 | 7 | 2.3 | Cc1ccc(-c2cc(C(=O)NCc3nccn3C(C)C)nc(N)n2)o1 | 10.1016/j.bmc.2009.07.078 | ||
| CHEMBL594455 | 199835 | 0 | None | -338 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 340 | 5 | 2 | 7 | 2.3 | Cc1ccc(-c2cc(C(=O)NCc3nccn3C(C)C)nc(N)n2)o1 | 10.1016/j.bmc.2009.07.078 | ||
| 135440428 | 78511 | 0 | None | -1 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 483 | 9 | 2 | 9 | 2.3 | CCCn1c(=O)c2nc(-c3cc(OCC(=O)Nc4ccc(F)cc4)n(C)n3)[nH]c2n(CCC)c1=O | 10.1021/jm0309654 | ||
| CHEMBL2112066 | 78511 | 0 | None | -1 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 483 | 9 | 2 | 9 | 2.3 | CCCn1c(=O)c2nc(-c3cc(OCC(=O)Nc4ccc(F)cc4)n(C)n3)[nH]c2n(CCC)c1=O | 10.1021/jm0309654 | ||
| CHEMBL5081937 | 214755 | 0 | None | -3 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | None | None | None | COc1ccc(-c2nc(Nc3ccccc3)nc(-c3ccccc3)c2C#N)cc1 | 10.1021/acs.jmedchem.1c01636 | ||||
| CHEMBL5088089 | 215114 | 0 | None | -13 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | None | None | None | N#Cc1c(-c2ccccc2)nc(N)nc1-c1cccc(F)c1 | 10.1021/acs.jmedchem.1c01636 | ||||
| 1329 | 1460 | 86 | None | -1905 | 14 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 304 | 5 | 1 | 5 | 2.4 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C1CCCC1 | 10.1021/jm0104318 | ||
| 386 | 1460 | 86 | None | -1905 | 14 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 304 | 5 | 1 | 5 | 2.4 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C1CCCC1 | 10.1021/jm0104318 | ||
| CHEMBL183 | 1460 | 86 | None | -1905 | 14 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 304 | 5 | 1 | 5 | 2.4 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C1CCCC1 | 10.1021/jm0104318 | ||
| DB12946 | 1460 | 86 | None | -1905 | 14 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 304 | 5 | 1 | 5 | 2.4 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C1CCCC1 | 10.1021/jm0104318 | ||
| 44406906 | 72781 | 0 | None | -1 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 447 | 7 | 3 | 7 | 1.8 | Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(CCN)cc4)cc3)cc2n(C)c1=O | 10.1021/jm0506221 | ||
| CHEMBL200105 | 72781 | 0 | None | -1 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 447 | 7 | 3 | 7 | 1.8 | Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(CCN)cc4)cc3)cc2n(C)c1=O | 10.1021/jm0506221 | ||
| 11547533 | 140888 | 0 | None | -1 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 482 | 7 | 2 | 7 | 2.6 | COc1cc(-c2cc3c([nH]2)c(=O)n(C)c(=O)n3C)ccc1OCC(=O)NCc1ccc(Cl)cc1 | 10.1021/jm0506221 | ||
| CHEMBL382234 | 140888 | 0 | None | -1 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 482 | 7 | 2 | 7 | 2.6 | COc1cc(-c2cc3c([nH]2)c(=O)n(C)c(=O)n3C)ccc1OCC(=O)NCc1ccc(Cl)cc1 | 10.1021/jm0506221 | ||
| 10605011 | 118734 | 0 | None | -4 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 732 | 6 | 2 | 8 | 7.6 | O=C(Nc1cccc(Cl)c1)Nc1nc2nn(CCc3cc(Br)c(Br)cc3Br)cc2c2nc(-c3ccco3)nn12 | 10.1021/jm001047y | ||
| CHEMBL341852 | 118734 | 0 | None | -4 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 732 | 6 | 2 | 8 | 7.6 | O=C(Nc1cccc(Cl)c1)Nc1nc2nn(CCc3cc(Br)c(Br)cc3Br)cc2c2nc(-c3ccco3)nn12 | 10.1021/jm001047y | ||
| 76320909 | 104006 | 0 | None | -1513 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 300 | 1 | 1 | 5 | 1.0 | Cn1c(=O)c2[nH]c([C@]34C[C@@H]5C[C@H](C[C@H]3C5)C4)nc2n(C)c1=O | 10.1016/j.bmc.2013.09.044 | ||
| CHEMBL3093327 | 104006 | 0 | None | -1513 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 300 | 1 | 1 | 5 | 1.0 | Cn1c(=O)c2[nH]c([C@]34C[C@@H]5C[C@H](C[C@H]3C5)C4)nc2n(C)c1=O | 10.1016/j.bmc.2013.09.044 | ||
| 15667105 | 108717 | 0 | None | -263 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 384 | 7 | 1 | 5 | 3.6 | CCCCn1c(=O)c2nc(C34CC5CC(CC3C5)C4)[nH]c2n(CCCC)c1=O | 10.1039/C8MD00070K | ||
| CHEMBL320872 | 108717 | 0 | None | -263 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 384 | 7 | 1 | 5 | 3.6 | CCCCn1c(=O)c2nc(C34CC5CC(CC3C5)C4)[nH]c2n(CCCC)c1=O | 10.1039/C8MD00070K | ||
| 11689583 | 3192 | 29 | None | -1513 | 7 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 386 | 7 | 2 | 6 | 2.1 | OCCCn1c2[nH]c(nc2c(=O)n(c1=O)CCCC)C12CC3CC2CC(C1)C3 | 10.1016/j.ejmech.2019.111879 | ||
| 3285 | 3192 | 29 | None | -1513 | 7 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 386 | 7 | 2 | 6 | 2.1 | OCCCn1c2[nH]c(nc2c(=O)n(c1=O)CCCC)C12CC3CC2CC(C1)C3 | 10.1016/j.ejmech.2019.111879 | ||
| CHEMBL1316674 | 3192 | 29 | None | -1513 | 7 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 386 | 7 | 2 | 6 | 2.1 | OCCCn1c2[nH]c(nc2c(=O)n(c1=O)CCCC)C12CC3CC2CC(C1)C3 | 10.1016/j.ejmech.2019.111879 | ||
| 11780616 | 203588 | 5 | None | -1 | 4 | Rat | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 270 | 4 | 0 | 6 | 0.5 | Cn1c(=O)c2c(ncn2CCCCCl)n(C)c1=O | 10.1021/jm0104318 | ||
| CHEMBL67060 | 203588 | 5 | None | -1 | 4 | Rat | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 270 | 4 | 0 | 6 | 0.5 | Cn1c(=O)c2c(ncn2CCCCCl)n(C)c1=O | 10.1021/jm0104318 | ||
| 136044130 | 49082 | 0 | None | 4 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 402 | 8 | 3 | 8 | 1.5 | CCCn1c(=O)c2nc(-c3ccc(OCC(=O)O)cc3O)[nH]c2n(CCC)c1=O | 10.1021/jm0104318 | ||
| CHEMBL156178 | 49082 | 0 | None | 4 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 402 | 8 | 3 | 8 | 1.5 | CCCn1c(=O)c2nc(-c3ccc(OCC(=O)O)cc3O)[nH]c2n(CCC)c1=O | 10.1021/jm0104318 | ||
| CHEMBL5090384 | 215236 | 0 | None | -16 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | None | None | None | N#Cc1c(-c2ccccc2)nc(Nc2ccccc2)nc1-c1ccc2c(c1)OCO2 | 10.1021/acs.jmedchem.1c01636 | ||||
| 128525 | 154700 | 10 | None | -5 | 6 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 194 | 2 | 2 | 4 | -0.2 | CCCn1c(=O)[nH]c2[nH]cnc2c1=O | 10.1021/jm0104318 | ||
| CHEMBL39986 | 154700 | 10 | None | -5 | 6 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 194 | 2 | 2 | 4 | -0.2 | CCCn1c(=O)[nH]c2[nH]cnc2c1=O | 10.1021/jm0104318 | ||
| 44401051 | 124345 | 0 | None | -23442 | 4 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 355 | 3 | 4 | 9 | 0.4 | O[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)nc(Cl)nc32)[C@H](O)[C@@H]1O | 10.1021/jm049408n | ||
| CHEMBL363807 | 124345 | 0 | None | -23442 | 4 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 355 | 3 | 4 | 9 | 0.4 | O[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)nc(Cl)nc32)[C@H](O)[C@@H]1O | 10.1021/jm049408n | ||
| 11395785 | 186490 | 0 | None | -15488 | 4 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 410 | 5 | 4 | 9 | 0.6 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)nc(Cl)nc32)[C@H](O)[C@@H]1O | 10.1021/acs.jmedchem.7b00457 | ||
| CHEMBL487754 | 186490 | 0 | None | -15488 | 4 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 410 | 5 | 4 | 9 | 0.6 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)nc(Cl)nc32)[C@H](O)[C@@H]1O | 10.1021/acs.jmedchem.7b00457 | ||
| 22282339 | 83075 | 3 | None | -275 | 15 | Mouse | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 386 | 4 | 1 | 5 | 5.1 | Cc1cc(C)cc(-c2nc(NC(=O)c3cccnc3)sc2-c2ccncc2)c1 | 10.1021/acsmedchemlett.1c00685 | ||
| CHEMBL2181976 | 83075 | 3 | None | -275 | 15 | Mouse | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 386 | 4 | 1 | 5 | 5.1 | Cc1cc(C)cc(-c2nc(NC(=O)c3cccnc3)sc2-c2ccncc2)c1 | 10.1021/acsmedchemlett.1c00685 | ||
| CHEMBL5084951 | 83075 | 3 | None | -275 | 15 | Mouse | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 386 | 4 | 1 | 5 | 5.1 | Cc1cc(C)cc(-c2nc(NC(=O)c3cccnc3)sc2-c2ccncc2)c1 | 10.1021/acsmedchemlett.1c00685 | ||
| 377 | 2738 | 53 | None | -1479 | 15 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/acs.jmedchem.7b00457 | ||
| 425 | 2738 | 53 | None | -1479 | 15 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/acs.jmedchem.7b00457 | ||
| 448222 | 2738 | 53 | None | -1479 | 15 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/acs.jmedchem.7b00457 | ||
| CHEMBL464859 | 2738 | 53 | None | -1479 | 15 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/acs.jmedchem.7b00457 | ||
| 377 | 2738 | 53 | None | -1479 | 15 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/jm900413e | ||
| 425 | 2738 | 53 | None | -1479 | 15 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/jm900413e | ||
| 448222 | 2738 | 53 | None | -1479 | 15 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/jm900413e | ||
| CHEMBL464859 | 2738 | 53 | None | -1479 | 15 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/jm900413e | ||
| 377 | 2738 | 53 | None | -1479 | 15 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/ml200189u | ||
| 425 | 2738 | 53 | None | -1479 | 15 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/ml200189u | ||
| 448222 | 2738 | 53 | None | -1479 | 15 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/ml200189u | ||
| CHEMBL464859 | 2738 | 53 | None | -1479 | 15 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/ml200189u | ||
| 162660983 | 181847 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 294 | 2 | 2 | 4 | 2.4 | CC1=C(C(=O)OC(C)(C)C)C(c2ccoc2)NC(=S)N1 | 10.1021/acs.jmedchem.0c01431 | ||
| CHEMBL4778860 | 181847 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 294 | 2 | 2 | 4 | 2.4 | CC1=C(C(=O)OC(C)(C)C)C(c2ccoc2)NC(=S)N1 | 10.1021/acs.jmedchem.0c01431 | ||
| 135546649 | 116610 | 0 | None | 4 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 479 | 9 | 2 | 9 | 2.4 | CCCn1c(=O)c2nc(-c3cc(OCC(=O)Nc4ccc(C)cc4)nn3C)[nH]c2n(CCC)c1=O | 10.1021/jm0309654 | ||
| CHEMBL33695 | 116610 | 0 | None | 4 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 479 | 9 | 2 | 9 | 2.4 | CCCn1c(=O)c2nc(-c3cc(OCC(=O)Nc4ccc(C)cc4)nn3C)[nH]c2n(CCC)c1=O | 10.1021/jm0309654 | ||
| 135546649 | 116610 | 0 | None | 4 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 479 | 9 | 2 | 9 | 2.4 | CCCn1c(=O)c2nc(-c3cc(OCC(=O)Nc4ccc(C)cc4)nn3C)[nH]c2n(CCC)c1=O | 10.1021/jm0309654 | ||
| CHEMBL33695 | 116610 | 0 | None | 4 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 479 | 9 | 2 | 9 | 2.4 | CCCn1c(=O)c2nc(-c3cc(OCC(=O)Nc4ccc(C)cc4)nn3C)[nH]c2n(CCC)c1=O | 10.1021/jm0309654 | ||
| 66894703 | 157569 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 511 | 8 | 1 | 8 | 2.9 | CCCn1c(=O)c2[nH]c(-c3cnn(CC4CC(=O)N(c5ccc(F)cc5F)C4)c3)nc2n(CCC)c1=O | 10.1016/j.ejmech.2016.11.007 | ||
| CHEMBL4080807 | 157569 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 511 | 8 | 1 | 8 | 2.9 | CCCn1c(=O)c2[nH]c(-c3cnn(CC4CC(=O)N(c5ccc(F)cc5F)C4)c3)nc2n(CCC)c1=O | 10.1016/j.ejmech.2016.11.007 | ||
| 44588438 | 189095 | 0 | None | 8 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 342 | 5 | 3 | 6 | 2.3 | CCCn1c(=O)c2[nH]c(-c3ccc(N)cc3)c(O)c2n(CCC)c1=O | 10.1016/j.bmc.2008.09.067 | ||
| CHEMBL510409 | 189095 | 0 | None | 8 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 342 | 5 | 3 | 6 | 2.3 | CCCn1c(=O)c2[nH]c(-c3ccc(N)cc3)c(O)c2n(CCC)c1=O | 10.1016/j.bmc.2008.09.067 | ||
| 136042333 | 71131 | 0 | None | 10 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 514 | 8 | 2 | 9 | 3.4 | CCCn1c(=O)c2[nH]c(-c3cc(OCc4nc5cc(Cl)c(F)cc5[nH]4)nn3C)nc2n(CCC)c1=O | 10.1021/jm201292w | ||
| CHEMBL1955909 | 71131 | 0 | None | 10 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 514 | 8 | 2 | 9 | 3.4 | CCCn1c(=O)c2[nH]c(-c3cc(OCc4nc5cc(Cl)c(F)cc5[nH]4)nn3C)nc2n(CCC)c1=O | 10.1021/jm201292w | ||
| 44406545 | 72862 | 0 | None | 25 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 494 | 8 | 1 | 10 | 3.3 | CCCn1c(=O)c2nc(-c3cnn(Cc4nc(-c5ccccc5Cl)no4)c3)[nH]c2n(CCC)c1=O | 10.1016/j.bmcl.2005.10.002 | ||
| CHEMBL200370 | 72862 | 0 | None | 25 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 494 | 8 | 1 | 10 | 3.3 | CCCn1c(=O)c2nc(-c3cnn(Cc4nc(-c5ccccc5Cl)no4)c3)[nH]c2n(CCC)c1=O | 10.1016/j.bmcl.2005.10.002 | ||
| 21958557 | 95760 | 0 | None | 6 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 364 | 5 | 1 | 7 | 1.7 | CCCn1c(=O)c2[nH]c(-c3cnn(Cc4ccccc4)c3)nc2n(C)c1=O | 10.1021/jm7014815 | ||
| CHEMBL258686 | 95760 | 0 | None | 6 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 364 | 5 | 1 | 7 | 1.7 | CCCn1c(=O)c2[nH]c(-c3cnn(Cc4ccccc4)c3)nc2n(C)c1=O | 10.1021/jm7014815 | ||
| 49797795 | 10584 | 0 | None | 4 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 447 | 6 | 1 | 7 | 3.3 | CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(S(C)(=O)=O)cc3)sc12 | 10.1016/j.bmcl.2010.05.056 | ||
| CHEMBL1170129 | 10584 | 0 | None | 4 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 447 | 6 | 1 | 7 | 3.3 | CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(S(C)(=O)=O)cc3)sc12 | 10.1016/j.bmcl.2010.05.056 | ||
| 49797904 | 10710 | 0 | None | 2 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 373 | 5 | 1 | 7 | 2.7 | CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3cnn(C)c3)sc12 | 10.1016/j.bmcl.2010.05.056 | ||
| CHEMBL1171163 | 10710 | 0 | None | 2 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 373 | 5 | 1 | 7 | 2.7 | CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3cnn(C)c3)sc12 | 10.1016/j.bmcl.2010.05.056 | ||
| 52948949 | 19238 | 0 | None | 1 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 494 | 8 | 3 | 4 | 5.4 | O=C(NCc1ccccc1)NCc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccccc3)c2c1 | 10.1016/j.bmcl.2010.10.030 | ||
| CHEMBL1290322 | 19238 | 0 | None | 1 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 494 | 8 | 3 | 4 | 5.4 | O=C(NCc1ccccc1)NCc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccccc3)c2c1 | 10.1016/j.bmcl.2010.10.030 | ||
| 11588630 | 78078 | 0 | None | 6 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 364 | 5 | 1 | 7 | 1.8 | CCn1c(=O)c2nc(-c3cnn(Cc4ccccc4)c3)[nH]c2n(CC)c1=O | 10.1021/jm051268+ | ||
| CHEMBL210271 | 78078 | 0 | None | 6 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 364 | 5 | 1 | 7 | 1.8 | CCn1c(=O)c2nc(-c3cnn(Cc4ccccc4)c3)[nH]c2n(CC)c1=O | 10.1021/jm051268+ | ||
| 640847 | 100031 | 1 | None | 7 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 256 | 2 | 2 | 4 | 1.1 | CCn1c(=O)[nH]c2[nH]c(-c3ccccc3)nc2c1=O | 10.1021/jm011049y | ||
| CHEMBL287129 | 100031 | 1 | None | 7 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 256 | 2 | 2 | 4 | 1.1 | CCn1c(=O)[nH]c2[nH]c(-c3ccccc3)nc2c1=O | 10.1021/jm011049y | ||
| 11591029 | 141271 | 0 | None | 1 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 476 | 9 | 3 | 7 | 3.7 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccccc4O)cc3)cc2n(CCC)c1=O | 10.1021/jm0506221 | ||
| CHEMBL383321 | 141271 | 0 | None | 1 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 476 | 9 | 3 | 7 | 3.7 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccccc4O)cc3)cc2n(CCC)c1=O | 10.1021/jm0506221 | ||
| 46228022 | 199886 | 0 | None | 6 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 368 | 6 | 0 | 8 | 2.1 | CCCn1c(=O)c2c(nc(Cc3ccco3)n2C)n(Cc2ccco2)c1=O | 10.1016/j.bmc.2009.07.034 | ||
| CHEMBL594734 | 199886 | 0 | None | 6 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 368 | 6 | 0 | 8 | 2.1 | CCCn1c(=O)c2c(nc(Cc3ccco3)n2C)n(Cc2ccco2)c1=O | 10.1016/j.bmc.2009.07.034 | ||
| 176407 | 4117 | 84 | None | -34 | 6 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 337 | 5 | 3 | 9 | 1.7 | Oc1ccc(cc1)CCNc1nc(N)n2c(n1)nc(n2)c1ccco1 | 10.1016/j.bmc.2010.02.014 | ||
| 405 | 4117 | 84 | None | -34 | 6 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 337 | 5 | 3 | 9 | 1.7 | Oc1ccc(cc1)CCNc1nc(N)n2c(n1)nc(n2)c1ccco1 | 10.1016/j.bmc.2010.02.014 | ||
| CHEMBL113142 | 4117 | 84 | None | -34 | 6 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 337 | 5 | 3 | 9 | 1.7 | Oc1ccc(cc1)CCNc1nc(N)n2c(n1)nc(n2)c1ccco1 | 10.1016/j.bmc.2010.02.014 | ||
| DB08770 | 4117 | 84 | None | -34 | 6 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 337 | 5 | 3 | 9 | 1.7 | Oc1ccc(cc1)CCNc1nc(N)n2c(n1)nc(n2)c1ccco1 | 10.1016/j.bmc.2010.02.014 | ||
| 11570614 | 140660 | 0 | None | 8 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 586 | 9 | 2 | 6 | 4.6 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(I)cc4)cc3)cc2n(CCC)c1=O | 10.1021/jm0506221 | ||
| CHEMBL381522 | 140660 | 0 | None | 8 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 586 | 9 | 2 | 6 | 4.6 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(I)cc4)cc3)cc2n(CCC)c1=O | 10.1021/jm0506221 | ||
| 44185935 | 185509 | 0 | None | 4 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 417 | 5 | 2 | 6 | 1.7 | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCCCC4)cc3)[nH]c2c1=O | 10.1021/jm900413e | ||
| CHEMBL486281 | 185509 | 0 | None | 4 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 417 | 5 | 2 | 6 | 1.7 | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCCCC4)cc3)[nH]c2c1=O | 10.1021/jm900413e | ||
| 11627494 | 72292 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 502 | 10 | 2 | 7 | 4.2 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(C(C)=O)cc4)cc3)cc2n(CCC)c1=O | 10.1021/jm0506221 | ||
| CHEMBL198403 | 72292 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 502 | 10 | 2 | 7 | 4.2 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(C(C)=O)cc4)cc3)cc2n(CCC)c1=O | 10.1021/jm0506221 | ||
| 11517907 | 74668 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 444 | 5 | 3 | 7 | 2.1 | Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4nc5ccccc5[nH]4)cc3)cc2n(C)c1=O | 10.1021/jm0506221 | ||
| CHEMBL203043 | 74668 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 444 | 5 | 3 | 7 | 2.1 | Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4nc5ccccc5[nH]4)cc3)cc2n(C)c1=O | 10.1021/jm0506221 | ||
| 44236603 | 157365 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 446 | 6 | 2 | 8 | 1.9 | CCCn1c(=O)c2[nH]c(-c3cnn(CC#Cc4cccc(C(=O)O)c4)c3)nc2n(CC)c1=O | 10.1016/j.ejmech.2017.04.014 | ||
| CHEMBL4078316 | 157365 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 446 | 6 | 2 | 8 | 1.9 | CCCn1c(=O)c2[nH]c(-c3cnn(CC#Cc4cccc(C(=O)O)c4)c3)nc2n(CC)c1=O | 10.1016/j.ejmech.2017.04.014 | ||
| 1509337 | 49100 | 13 | None | -10 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 324 | 5 | 1 | 7 | 2.2 | COc1cccc(COC(=O)c2nn(-c3ccccc3)nc2N)c1 | 10.1021/acs.jmedchem.8b00204 | ||
| CHEMBL1561896 | 49100 | 13 | None | -10 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 324 | 5 | 1 | 7 | 2.2 | COc1cccc(COC(=O)c2nn(-c3ccccc3)nc2N)c1 | 10.1021/acs.jmedchem.8b00204 | ||
| 46233161 | 200500 | 0 | None | -2 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 358 | 7 | 1 | 6 | 2.7 | CCCn1c(=O)c2[nH]c(-c3ccccc3)nc2n(CCSCC)c1=O | 10.1016/j.bmc.2010.01.028 | ||
| CHEMBL598819 | 200500 | 0 | None | -2 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 358 | 7 | 1 | 6 | 2.7 | CCCn1c(=O)c2[nH]c(-c3ccccc3)nc2n(CCSCC)c1=O | 10.1016/j.bmc.2010.01.028 | ||
| 3286 | 3187 | 31 | None | 4 | 9 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 350 | 4 | 3 | 6 | 0.7 | CCCn1c(=O)[nH]c2c(c1=O)nc([nH]2)c1ccc(cc1)S(=O)(=O)O | 10.1039/d2md00132b | ||
| 5311479 | 3187 | 31 | None | 4 | 9 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 350 | 4 | 3 | 6 | 0.7 | CCCn1c(=O)[nH]c2c(c1=O)nc([nH]2)c1ccc(cc1)S(=O)(=O)O | 10.1039/d2md00132b | ||
| CHEMBL8565 | 3187 | 31 | None | 4 | 9 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 350 | 4 | 3 | 6 | 0.7 | CCCn1c(=O)[nH]c2c(c1=O)nc([nH]2)c1ccc(cc1)S(=O)(=O)O | 10.1039/d2md00132b | ||
| 135404340 | 82368 | 0 | None | -229 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 427 | 7 | 2 | 4 | 4.1 | CCCN1C(=O)N2C[C@@H](CC)N=C2c2[nH]c(C34CCC(CCC(=O)O)(CC3)CC4)nc21 | 10.1021/jm060539t | ||
| CHEMBL217268 | 82368 | 0 | None | -229 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 427 | 7 | 2 | 4 | 4.1 | CCCN1C(=O)N2C[C@@H](CC)N=C2c2[nH]c(C34CCC(CCC(=O)O)(CC3)CC4)nc21 | 10.1021/jm060539t | ||
| 11408692 | 75531 | 0 | None | -2511 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 466 | 6 | 5 | 10 | 0.1 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC)nc(C#CC(O)c4ccccc4)nc32)[C@H](O)[C@@H]1O | 10.1016/j.bmcl.2006.01.110 | ||
| CHEMBL204527 | 75531 | 0 | None | -2511 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 466 | 6 | 5 | 10 | 0.1 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC)nc(C#CC(O)c4ccccc4)nc32)[C@H](O)[C@@H]1O | 10.1016/j.bmcl.2006.01.110 | ||
| 3467695 | 90915 | 41 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 328 | 4 | 2 | 4 | 3.1 | CC1=C(C(=O)OCc2ccccc2)C(c2cccs2)NC(=O)N1 | 10.1021/acs.jmedchem.0c01431 | ||
| CHEMBL239336 | 90915 | 41 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 328 | 4 | 2 | 4 | 3.1 | CC1=C(C(=O)OCc2ccccc2)C(c2cccs2)NC(=O)N1 | 10.1021/acs.jmedchem.0c01431 | ||
| 21874668 | 176866 | 0 | None | -21 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 282 | 3 | 1 | 8 | 1.7 | Nc1nc(-c2ccco2)c2nnn(Cc3ccco3)c2n1 | 10.1021/jm800961g | ||
| CHEMBL461650 | 176866 | 0 | None | -21 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 282 | 3 | 1 | 8 | 1.7 | Nc1nc(-c2ccco2)c2nnn(Cc3ccco3)c2n1 | 10.1021/jm800961g | ||
| 145986422 | 167122 | 0 | None | -1 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 565 | 13 | 1 | 10 | 2.2 | CCCn1c(=O)c2c(nc3n2CCCN3CCc2ccc(OCC(=O)NCCN3CCCC3)cc2)n(CCC)c1=O | 10.1039/C8MD00070K | ||
| CHEMBL4290710 | 167122 | 0 | None | -1 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 565 | 13 | 1 | 10 | 2.2 | CCCn1c(=O)c2c(nc3n2CCCN3CCc2ccc(OCC(=O)NCCN3CCCC3)cc2)n(CCC)c1=O | 10.1039/C8MD00070K | ||
| 76313652 | 103819 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 280 | 3 | 2 | 4 | 2.0 | CC1=C(C(=O)OC(C)C)C(c2ccoc2)NC(=S)N1 | 10.1021/acs.jmedchem.0c01431 | ||
| CHEMBL3091701 | 103819 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 280 | 3 | 2 | 4 | 2.0 | CC1=C(C(=O)OC(C)C)C(c2ccoc2)NC(=S)N1 | 10.1021/acs.jmedchem.0c01431 | ||
| 76313652 | 103819 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 280 | 3 | 2 | 4 | 2.0 | CC1=C(C(=O)OC(C)C)C(c2ccoc2)NC(=S)N1 | 10.1021/ml400185v | ||
| CHEMBL3091701 | 103819 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 280 | 3 | 2 | 4 | 2.0 | CC1=C(C(=O)OC(C)C)C(c2ccoc2)NC(=S)N1 | 10.1021/ml400185v | ||
| 3286 | 3187 | 31 | None | 4 | 9 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 350 | 4 | 3 | 6 | 0.7 | CCCn1c(=O)[nH]c2c(c1=O)nc([nH]2)c1ccc(cc1)S(=O)(=O)O | 10.1039/d2md00132b | ||
| 5311479 | 3187 | 31 | None | 4 | 9 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 350 | 4 | 3 | 6 | 0.7 | CCCn1c(=O)[nH]c2c(c1=O)nc([nH]2)c1ccc(cc1)S(=O)(=O)O | 10.1039/d2md00132b | ||
| CHEMBL8565 | 3187 | 31 | None | 4 | 9 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 350 | 4 | 3 | 6 | 0.7 | CCCn1c(=O)[nH]c2c(c1=O)nc([nH]2)c1ccc(cc1)S(=O)(=O)O | 10.1039/d2md00132b | ||
| 3286 | 3187 | 31 | None | -16 | 9 | Mouse | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 350 | 4 | 3 | 6 | 0.7 | CCCn1c(=O)[nH]c2c(c1=O)nc([nH]2)c1ccc(cc1)S(=O)(=O)O | 10.1021/acs.jmedchem.9b00071 | ||
| 5311479 | 3187 | 31 | None | -16 | 9 | Mouse | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 350 | 4 | 3 | 6 | 0.7 | CCCn1c(=O)[nH]c2c(c1=O)nc([nH]2)c1ccc(cc1)S(=O)(=O)O | 10.1021/acs.jmedchem.9b00071 | ||
| CHEMBL8565 | 3187 | 31 | None | -16 | 9 | Mouse | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 350 | 4 | 3 | 6 | 0.7 | CCCn1c(=O)[nH]c2c(c1=O)nc([nH]2)c1ccc(cc1)S(=O)(=O)O | 10.1021/acs.jmedchem.9b00071 | ||
| 95028 | 93779 | 31 | None | -3 | 4 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 270 | 2 | 0 | 6 | 0.5 | Cn1c(=O)c2c(ncn2Cc2ccccc2)n(C)c1=O | 10.1021/jm0104318 | ||
| CHEMBL24759 | 93779 | 31 | None | -3 | 4 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 270 | 2 | 0 | 6 | 0.5 | Cn1c(=O)c2c(ncn2Cc2ccccc2)n(C)c1=O | 10.1021/jm0104318 | ||
| 44406334 | 72903 | 0 | None | 16 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 489 | 9 | 1 | 10 | 3.3 | CCCn1c(=O)c2nc(-c3cnn(Cc4cc(-c5ccccc5OC)on4)c3)[nH]c2n(CCC)c1=O | 10.1016/j.bmcl.2005.10.002 | ||
| CHEMBL200509 | 72903 | 0 | None | 16 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 489 | 9 | 1 | 10 | 3.3 | CCCn1c(=O)c2nc(-c3cnn(Cc4cc(-c5ccccc5OC)on4)c3)[nH]c2n(CCC)c1=O | 10.1016/j.bmcl.2005.10.002 | ||
| 11112543 | 57123 | 0 | None | -10 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 418 | 5 | 2 | 9 | 3.4 | CCn1cc2c(nc(NC(=O)Nc3ccccc3OC)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm0109614 | ||
| CHEMBL164647 | 57123 | 0 | None | -10 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 418 | 5 | 2 | 9 | 3.4 | CCn1cc2c(nc(NC(=O)Nc3ccccc3OC)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm0109614 | ||
| 2748296 | 182130 | 8 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 278 | 4 | 2 | 4 | 2.1 | CC1=C(C(=O)OCC(C)C)C(c2ccco2)NC(=O)N1 | 10.1021/acs.jmedchem.0c01431 | ||
| CHEMBL4782393 | 182130 | 8 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 278 | 4 | 2 | 4 | 2.1 | CC1=C(C(=O)OCC(C)C)C(c2ccco2)NC(=O)N1 | 10.1021/acs.jmedchem.0c01431 | ||
| 11267343 | 175326 | 0 | None | 3 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 325 | 5 | 1 | 4 | 3.3 | CCCn1c(=O)c2[nH]c(-c3ccc(C)cc3)cc2n(CCC)c1=O | 10.1016/j.bmc.2008.09.067 | ||
| CHEMBL457442 | 175326 | 0 | None | 3 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 325 | 5 | 1 | 4 | 3.3 | CCCn1c(=O)c2[nH]c(-c3ccc(C)cc3)cc2n(CCC)c1=O | 10.1016/j.bmc.2008.09.067 | ||
| 21916371 | 95854 | 0 | None | 3 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 446 | 5 | 1 | 7 | 3.0 | CC(C)Cn1c(=O)c2[nH]c(-c3cnn(Cc4cccc(C(F)(F)F)c4)c3)nc2n(C)c1=O | 10.1021/jm7014815 | ||
| CHEMBL259129 | 95854 | 0 | None | 3 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 446 | 5 | 1 | 7 | 3.0 | CC(C)Cn1c(=O)c2[nH]c(-c3cnn(Cc4cccc(C(F)(F)F)c4)c3)nc2n(C)c1=O | 10.1021/jm7014815 | ||
| 9902562 | 172611 | 0 | None | -23 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 341 | 3 | 1 | 8 | 2.4 | Cc1cnc(-c2nc(N)nc3c2nnn3Cc2ccccc2F)s1 | 10.1021/jm800961g | ||
| CHEMBL449469 | 172611 | 0 | None | -23 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 341 | 3 | 1 | 8 | 2.4 | Cc1cnc(-c2nc(N)nc3c2nnn3Cc2ccccc2F)s1 | 10.1021/jm800961g | ||
| 11649548 | 72752 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 539 | 10 | 3 | 8 | 2.6 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(S(N)(=O)=O)cc4)cc3)cc2n(CCC)c1=O | 10.1021/jm0506221 | ||
| CHEMBL200011 | 72752 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 539 | 10 | 3 | 8 | 2.6 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(S(N)(=O)=O)cc4)cc3)cc2n(CCC)c1=O | 10.1021/jm0506221 | ||
| 46227958 | 200091 | 0 | None | 1 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 432 | 7 | 1 | 7 | 2.8 | CSCCn1c(=O)c2[nH]c(Cc3c(F)cccc3F)nc2n(Cc2ccco2)c1=O | 10.1016/j.bmc.2009.07.034 | ||
| CHEMBL596125 | 200091 | 0 | None | 1 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 432 | 7 | 1 | 7 | 2.8 | CSCCn1c(=O)c2[nH]c(Cc3c(F)cccc3F)nc2n(Cc2ccco2)c1=O | 10.1016/j.bmc.2009.07.034 | ||
| 45268854 | 196044 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 392 | 10 | 1 | 8 | 1.9 | CCSCCn1c(=O)c2[nH]c(Cc3ccco3)nc2n(CCCOC)c1=O | 10.1016/j.bmc.2009.03.029 | ||
| CHEMBL560562 | 196044 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 392 | 10 | 1 | 8 | 1.9 | CCSCCn1c(=O)c2[nH]c(Cc3ccco3)nc2n(CCCOC)c1=O | 10.1016/j.bmc.2009.03.029 | ||
| 19574107 | 75412 | 0 | None | -50 | 2 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 300 | 3 | 2 | 4 | 3.0 | COc1cccc2cc(C(=O)NC3CCCCC3)c(=N)oc12 | 10.1016/j.ejmech.2012.05.009 | ||
| CHEMBL2042059 | 75412 | 0 | None | -50 | 2 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 300 | 3 | 2 | 4 | 3.0 | COc1cccc2cc(C(=O)NC3CCCCC3)c(=N)oc12 | 10.1016/j.ejmech.2012.05.009 | ||
| 449 | 2625 | 52 | None | -1 | 9 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 486 | 9 | 2 | 8 | 3.3 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)C#N | 10.1016/j.bmcl.2004.11.044 | ||
| 453 | 2625 | 52 | None | -1 | 9 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 486 | 9 | 2 | 8 | 3.3 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)C#N | 10.1016/j.bmcl.2004.11.044 | ||
| 6603931 | 2625 | 52 | None | -1 | 9 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 486 | 9 | 2 | 8 | 3.3 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)C#N | 10.1016/j.bmcl.2004.11.044 | ||
| CHEMBL273807 | 2625 | 52 | None | -1 | 9 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 486 | 9 | 2 | 8 | 3.3 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)C#N | 10.1016/j.bmcl.2004.11.044 | ||
| 449 | 2625 | 52 | None | -1 | 9 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 486 | 9 | 2 | 8 | 3.3 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)C#N | 10.1021/jm201292w | ||
| 453 | 2625 | 52 | None | -1 | 9 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 486 | 9 | 2 | 8 | 3.3 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)C#N | 10.1021/jm201292w | ||
| 6603931 | 2625 | 52 | None | -1 | 9 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 486 | 9 | 2 | 8 | 3.3 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)C#N | 10.1021/jm201292w | ||
| CHEMBL273807 | 2625 | 52 | None | -1 | 9 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 486 | 9 | 2 | 8 | 3.3 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)C#N | 10.1021/jm201292w | ||
| 449 | 2625 | 52 | None | -1 | 9 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 486 | 9 | 2 | 8 | 3.3 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)C#N | 10.1016/j.ejmech.2016.11.007 | ||
| 453 | 2625 | 52 | None | -1 | 9 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 486 | 9 | 2 | 8 | 3.3 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)C#N | 10.1016/j.ejmech.2016.11.007 | ||
| 6603931 | 2625 | 52 | None | -1 | 9 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 486 | 9 | 2 | 8 | 3.3 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)C#N | 10.1016/j.ejmech.2016.11.007 | ||
| CHEMBL273807 | 2625 | 52 | None | -1 | 9 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 486 | 9 | 2 | 8 | 3.3 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)C#N | 10.1016/j.ejmech.2016.11.007 | ||
| 44451329 | 96154 | 0 | None | 204 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 501 | 5 | 1 | 7 | 2.7 | Cc1ccc(N2CCN(C(=O)C(C)Oc3ccc(-c4cc5c([nH]4)c(=O)n(C)c(=O)n5C)cc3)CC2)cc1 | 10.1016/j.bmc.2008.01.002 | ||
| CHEMBL260692 | 96154 | 0 | None | 204 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 501 | 5 | 1 | 7 | 2.7 | Cc1ccc(N2CCN(C(=O)C(C)Oc3ccc(-c4cc5c([nH]4)c(=O)n(C)c(=O)n5C)cc3)CC2)cc1 | 10.1016/j.bmc.2008.01.002 | ||
| 44451127 | 161256 | 0 | None | 44 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 569 | 7 | 1 | 7 | 3.9 | CCCn1c(=O)n(C)c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(c5ccc(C(F)(F)F)cc5)CC4)cc3)cc21 | 10.1016/j.bmc.2008.01.002 | ||
| CHEMBL412112 | 161256 | 0 | None | 44 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 569 | 7 | 1 | 7 | 3.9 | CCCn1c(=O)n(C)c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(c5ccc(C(F)(F)F)cc5)CC4)cc3)cc21 | 10.1016/j.bmc.2008.01.002 | ||
| 46880475 | 5503 | 0 | None | 7 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 333 | 4 | 1 | 3 | 4.3 | O=C(Nc1ccc(-c2ccncc2)c(-c2cccc(F)c2)n1)C1CC1 | 10.1016/j.bmcl.2010.01.045 | ||
| CHEMBL1076587 | 5503 | 0 | None | 7 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 333 | 4 | 1 | 3 | 4.3 | O=C(Nc1ccc(-c2ccncc2)c(-c2cccc(F)c2)n1)C1CC1 | 10.1016/j.bmcl.2010.01.045 | ||
| 46880474 | 6315 | 0 | None | 30 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 333 | 4 | 1 | 3 | 4.3 | O=C(Nc1ccc(-c2ccncc2)c(-c2ccccc2F)n1)C1CC1 | 10.1016/j.bmcl.2010.01.045 | ||
| CHEMBL1082028 | 6315 | 0 | None | 30 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 333 | 4 | 1 | 3 | 4.3 | O=C(Nc1ccc(-c2ccncc2)c(-c2ccccc2F)n1)C1CC1 | 10.1016/j.bmcl.2010.01.045 | ||
| 53318745 | 58001 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 325 | 4 | 1 | 6 | 2.7 | O=C(Nc1cnc(-c2ccncc2F)c(-c2cnco2)n1)C1CC1 | 10.1021/ml100249e | ||
| CHEMBL1672633 | 58001 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 325 | 4 | 1 | 6 | 2.7 | O=C(Nc1cnc(-c2ccncc2F)c(-c2cnco2)n1)C1CC1 | 10.1021/ml100249e | ||
| 44574222 | 189284 | 0 | None | -5 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 478 | 8 | 2 | 6 | 4.9 | CCCn1c(=O)c2[nH]c(-c3ccc(COC(=O)Nc4ccc(F)cc4)cc3)cc2n(CCC)c1=O | 10.1016/j.bmc.2009.03.062 | ||
| CHEMBL512276 | 189284 | 0 | None | -5 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 478 | 8 | 2 | 6 | 4.9 | CCCn1c(=O)c2[nH]c(-c3ccc(COC(=O)Nc4ccc(F)cc4)cc3)cc2n(CCC)c1=O | 10.1016/j.bmc.2009.03.062 | ||
| 22266746 | 157740 | 0 | None | 36 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 350 | 4 | 1 | 7 | 1.4 | CCn1c(=O)c2[nH]c(-c3cnn(Cc4ccccc4)c3)nc2n(C)c1=O | 10.1021/jm7014815 | ||
| CHEMBL408266 | 157740 | 0 | None | 36 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 350 | 4 | 1 | 7 | 1.4 | CCn1c(=O)c2[nH]c(-c3cnn(Cc4ccccc4)c3)nc2n(C)c1=O | 10.1021/jm7014815 | ||
| 449 | 2625 | 52 | None | -1 | 9 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 486 | 9 | 2 | 8 | 3.3 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)C#N | 10.1021/jm051268+ | ||
| 453 | 2625 | 52 | None | -1 | 9 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 486 | 9 | 2 | 8 | 3.3 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)C#N | 10.1021/jm051268+ | ||
| 6603931 | 2625 | 52 | None | -1 | 9 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 486 | 9 | 2 | 8 | 3.3 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)C#N | 10.1021/jm051268+ | ||
| CHEMBL273807 | 2625 | 52 | None | -1 | 9 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 486 | 9 | 2 | 8 | 3.3 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)C#N | 10.1021/jm051268+ | ||
| 449 | 2625 | 52 | None | -1 | 9 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 486 | 9 | 2 | 8 | 3.3 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)C#N | 10.1016/j.ejmech.2018.11.045 | ||
| 453 | 2625 | 52 | None | -1 | 9 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 486 | 9 | 2 | 8 | 3.3 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)C#N | 10.1016/j.ejmech.2018.11.045 | ||
| 6603931 | 2625 | 52 | None | -1 | 9 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 486 | 9 | 2 | 8 | 3.3 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)C#N | 10.1016/j.ejmech.2018.11.045 | ||
| CHEMBL273807 | 2625 | 52 | None | -1 | 9 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 486 | 9 | 2 | 8 | 3.3 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)C#N | 10.1016/j.ejmech.2018.11.045 | ||
| 44451127 | 161256 | 0 | None | 44 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 569 | 7 | 1 | 7 | 3.9 | CCCn1c(=O)n(C)c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(c5ccc(C(F)(F)F)cc5)CC4)cc3)cc21 | 10.1016/j.bmc.2008.01.002 | ||
| CHEMBL412112 | 161256 | 0 | None | 44 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 569 | 7 | 1 | 7 | 3.9 | CCCn1c(=O)n(C)c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(c5ccc(C(F)(F)F)cc5)CC4)cc3)cc21 | 10.1016/j.bmc.2008.01.002 | ||
| 44574192 | 178786 | 0 | None | 20 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 444 | 3 | 1 | 6 | 2.9 | Cn1c(=O)c2[nH]c(-c3ccc(COC(=O)N4CCc5ccccc5C4)cc3)cc2n(C)c1=O | 10.1016/j.bmc.2009.03.062 | ||
| CHEMBL469136 | 178786 | 0 | None | 20 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 444 | 3 | 1 | 6 | 2.9 | Cn1c(=O)c2[nH]c(-c3ccc(COC(=O)N4CCc5ccccc5C4)cc3)cc2n(C)c1=O | 10.1016/j.bmc.2009.03.062 | ||
| 11801496 | 98718 | 0 | None | 7 | 6 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 587 | 9 | 2 | 7 | 4.0 | CCCn1c(=O)c2nc(-c3ccc(OCC(=O)Nc4ccc(I)cc4)cc3)[nH]c2n(CCC)c1=O | 10.1021/jm0506221 | ||
| CHEMBL278039 | 98718 | 0 | None | 7 | 6 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 587 | 9 | 2 | 7 | 4.0 | CCCn1c(=O)c2nc(-c3ccc(OCC(=O)Nc4ccc(I)cc4)cc3)[nH]c2n(CCC)c1=O | 10.1021/jm0506221 | ||
| 168297247 | 192353 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 327 | 4 | 2 | 6 | 2.2 | CCCn1c(=O)[nH]c2nc(-c3ccc(N=C=S)cc3)[nH]c2c1=O | 10.1039/d2md00132b | ||
| CHEMBL5207498 | 192353 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 327 | 4 | 2 | 6 | 2.2 | CCCn1c(=O)[nH]c2nc(-c3ccc(N=C=S)cc3)[nH]c2c1=O | 10.1039/d2md00132b | ||
| 11649544 | 73104 | 0 | None | 9 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 538 | 9 | 2 | 6 | 4.8 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(Br)cc4)cc3)cc2n(CCC)c1=O | 10.1021/jm0506221 | ||
| CHEMBL201145 | 73104 | 0 | None | 9 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 538 | 9 | 2 | 6 | 4.8 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(Br)cc4)cc3)cc2n(CCC)c1=O | 10.1021/jm0506221 | ||
| 57429615 | 159728 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 442 | 4 | 2 | 6 | 2.8 | CCCn1c(=O)[nH]c2nc(-c3cnn(CC#Cc4cccc(C(F)(F)F)c4)c3)[nH]c2c1=O | 10.1016/j.ejmech.2017.04.014 | ||
| CHEMBL4105001 | 159728 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 442 | 4 | 2 | 6 | 2.8 | CCCn1c(=O)[nH]c2nc(-c3cnn(CC#Cc4cccc(C(F)(F)F)c4)c3)[nH]c2c1=O | 10.1016/j.ejmech.2017.04.014 | ||
| 16072021 | 57979 | 0 | None | 19 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 306 | 4 | 1 | 5 | 3.1 | O=C(Nc1cnc(-c2ccncc2)c(-c2ccco2)n1)C1CC1 | 10.1021/ml100249e | ||
| CHEMBL1672611 | 57979 | 0 | None | 19 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 306 | 4 | 1 | 5 | 3.1 | O=C(Nc1cnc(-c2ccncc2)c(-c2ccco2)n1)C1CC1 | 10.1021/ml100249e | ||
| 16071777 | 57987 | 0 | None | -1 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 320 | 4 | 1 | 5 | 3.5 | Cc1ccc(-c2nc(NC(=O)C3CC3)cnc2-c2ccncc2)o1 | 10.1021/ml100249e | ||
| CHEMBL1672619 | 57987 | 0 | None | -1 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 320 | 4 | 1 | 5 | 3.5 | Cc1ccc(-c2nc(NC(=O)C3CC3)cnc2-c2ccncc2)o1 | 10.1021/ml100249e | ||
| 11649544 | 73104 | 0 | None | 9 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 538 | 9 | 2 | 6 | 4.8 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(Br)cc4)cc3)cc2n(CCC)c1=O | 10.1016/j.bmc.2008.09.067 | ||
| CHEMBL201145 | 73104 | 0 | None | 9 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 538 | 9 | 2 | 6 | 4.8 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(Br)cc4)cc3)cc2n(CCC)c1=O | 10.1016/j.bmc.2008.09.067 | ||
| 10767043 | 58993 | 0 | None | 7 | 6 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 479 | 9 | 2 | 7 | 3.5 | CCCn1c(=O)c2nc(-c3ccc(OCC(=O)Nc4ccc(F)cc4)cc3)[nH]c2n(CCC)c1=O | 10.1021/jm0506221 | ||
| CHEMBL16929 | 58993 | 0 | None | 7 | 6 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 479 | 9 | 2 | 7 | 3.5 | CCCn1c(=O)c2nc(-c3ccc(OCC(=O)Nc4ccc(F)cc4)cc3)[nH]c2n(CCC)c1=O | 10.1021/jm0506221 | ||
| 9827315 | 95817 | 0 | None | 40 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 500 | 8 | 1 | 6 | 3.9 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCc5ccccc5C4)cc3)cc2n(CCC)c1=O | 10.1016/j.bmc.2008.01.002 | ||
| CHEMBL258978 | 95817 | 0 | None | 40 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 500 | 8 | 1 | 6 | 3.9 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCc5ccccc5C4)cc3)cc2n(CCC)c1=O | 10.1016/j.bmc.2008.01.002 | ||
| 46837704 | 10591 | 0 | None | 32 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 436 | 7 | 3 | 5 | 3.3 | CCCn1c(=O)[nH]c2cc(-c3ccc(OCC(=O)Nc4ccc(F)cc4)cc3)[nH]c2c1=O | 10.1016/j.ejmech.2010.03.011 | ||
| CHEMBL1170166 | 10591 | 0 | None | 32 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 436 | 7 | 3 | 5 | 3.3 | CCCn1c(=O)[nH]c2cc(-c3ccc(OCC(=O)Nc4ccc(F)cc4)cc3)[nH]c2c1=O | 10.1016/j.ejmech.2010.03.011 | ||
| 10840167 | 59148 | 0 | None | 3 | 6 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 539 | 9 | 2 | 7 | 4.2 | CCCn1c(=O)c2nc(-c3ccc(OCC(=O)Nc4ccc(Br)cc4)cc3)[nH]c2n(CCC)c1=O | 10.1021/jm0506221 | ||
| CHEMBL17003 | 59148 | 0 | None | 3 | 6 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 539 | 9 | 2 | 7 | 4.2 | CCCn1c(=O)c2nc(-c3ccc(OCC(=O)Nc4ccc(Br)cc4)cc3)[nH]c2n(CCC)c1=O | 10.1021/jm0506221 | ||
| 168271107 | 190045 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 394 | 6 | 1 | 7 | 2.0 | CCCn1c(=O)c2[nH]c(-c3ccc(S(=O)(=O)F)cc3)nc2n(CCC)c1=O | 10.1039/d2md00132b | ||
| CHEMBL5172513 | 190045 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 394 | 6 | 1 | 7 | 2.0 | CCCn1c(=O)c2[nH]c(-c3ccc(S(=O)(=O)F)cc3)nc2n(CCC)c1=O | 10.1039/d2md00132b | ||
| 44450997 | 96006 | 0 | None | 398 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 500 | 7 | 1 | 6 | 3.9 | CCCn1c(=O)n(C)c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCC(c5ccccc5)CC4)cc3)cc21 | 10.1016/j.bmc.2008.01.002 | ||
| CHEMBL259857 | 96006 | 0 | None | 398 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 500 | 7 | 1 | 6 | 3.9 | CCCn1c(=O)n(C)c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCC(c5ccccc5)CC4)cc3)cc21 | 10.1016/j.bmc.2008.01.002 | ||
| 11123022 | 132099 | 0 | None | -1 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 438 | 5 | 1 | 5 | 3.0 | CCCn1c(=O)c2nc(-c3ccc(I)cc3)[nH]c2n(CCC)c1=O | 10.1021/jm011049y | ||
| CHEMBL36963 | 132099 | 0 | None | -1 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 438 | 5 | 1 | 5 | 3.0 | CCCn1c(=O)c2nc(-c3ccc(I)cc3)[nH]c2n(CCC)c1=O | 10.1021/jm011049y | ||
| 44450997 | 96006 | 0 | None | 398 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 500 | 7 | 1 | 6 | 3.9 | CCCn1c(=O)n(C)c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCC(c5ccccc5)CC4)cc3)cc21 | 10.1016/j.bmc.2008.01.002 | ||
| CHEMBL259857 | 96006 | 0 | None | 398 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 500 | 7 | 1 | 6 | 3.9 | CCCn1c(=O)n(C)c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCC(c5ccccc5)CC4)cc3)cc21 | 10.1016/j.bmc.2008.01.002 | ||
| 76321753 | 105487 | 0 | None | -10 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 371 | 7 | 1 | 7 | 1.3 | CCN(CC)CCOc1ccc(-c2nc3c([nH]2)c(=O)n(C)c(=O)n3C)cc1 | 10.1016/j.ejmech.2014.01.045 | ||
| CHEMBL3121721 | 105487 | 0 | None | -10 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 371 | 7 | 1 | 7 | 1.3 | CCN(CC)CCOc1ccc(-c2nc3c([nH]2)c(=O)n(C)c(=O)n3C)cc1 | 10.1016/j.ejmech.2014.01.045 | ||
| 57429644 | 159322 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 557 | 9 | 1 | 8 | 4.0 | CCCn1c(=O)c2[nH]c(-c3cnn(CCC4CC(=O)N(c5cccc(C(F)(F)F)c5)C4)c3)nc2n(CCC)c1=O | 10.1016/j.ejmech.2016.11.007 | ||
| CHEMBL4100199 | 159322 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 557 | 9 | 1 | 8 | 4.0 | CCCn1c(=O)c2[nH]c(-c3cnn(CCC4CC(=O)N(c5cccc(C(F)(F)F)c5)C4)c3)nc2n(CCC)c1=O | 10.1016/j.ejmech.2016.11.007 | ||
| 44587957 | 188790 | 0 | None | 35 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 559 | 10 | 2 | 8 | 3.4 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(Cc5ccccc5)CC4)cc3)c(O)c2n(CCC)c1=O | 10.1016/j.bmc.2008.09.067 | ||
| CHEMBL506179 | 188790 | 0 | None | 35 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 559 | 10 | 2 | 8 | 3.4 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(Cc5ccccc5)CC4)cc3)c(O)c2n(CCC)c1=O | 10.1016/j.bmc.2008.09.067 | ||
| 11684443 | 133134 | 0 | None | 4 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 482 | 5 | 2 | 6 | 3.0 | Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(Br)cc4)cc3)cc2n(C)c1=O | 10.1021/jm0506221 | ||
| CHEMBL370378 | 133134 | 0 | None | 4 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 482 | 5 | 2 | 6 | 3.0 | Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(Br)cc4)cc3)cc2n(C)c1=O | 10.1021/jm0506221 | ||
| 11684443 | 133134 | 0 | None | 4 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 482 | 5 | 2 | 6 | 3.0 | Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(Br)cc4)cc3)cc2n(C)c1=O | 10.1016/j.bmc.2008.01.002 | ||
| CHEMBL370378 | 133134 | 0 | None | 4 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 482 | 5 | 2 | 6 | 3.0 | Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(Br)cc4)cc3)cc2n(C)c1=O | 10.1016/j.bmc.2008.01.002 | ||
| 11111247 | 119705 | 0 | None | 4 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 362 | 4 | 2 | 4 | 2.6 | CCCCn1c(=O)[nH]c2[nH]c(-c3ccc(Br)cc3)nc2c1=O | 10.1021/jm011049y | ||
| CHEMBL34762 | 119705 | 0 | None | 4 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 362 | 4 | 2 | 4 | 2.6 | CCCCn1c(=O)[nH]c2[nH]c(-c3ccc(Br)cc3)nc2c1=O | 10.1021/jm011049y | ||
| 72197880 | 90769 | 0 | None | -4 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 347 | 4 | 1 | 5 | 4.7 | O=C(Nc1nc(-c2ccccc2)c(-c2ccncc2)s1)c1ccco1 | 10.1016/j.ejmech.2019.111879 | ||
| CHEMBL2391834 | 90769 | 0 | None | -4 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 347 | 4 | 1 | 5 | 4.7 | O=C(Nc1nc(-c2ccccc2)c(-c2ccncc2)s1)c1ccco1 | 10.1016/j.ejmech.2019.111879 | ||
| 57429616 | 157658 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 458 | 5 | 2 | 7 | 2.6 | CCCn1c(=O)[nH]c2nc(-c3cnn(CC#Cc4cccc(OC(F)(F)F)c4)c3)[nH]c2c1=O | 10.1016/j.ejmech.2017.04.014 | ||
| CHEMBL4081707 | 157658 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 458 | 5 | 2 | 7 | 2.6 | CCCn1c(=O)[nH]c2nc(-c3cnn(CC#Cc4cccc(OC(F)(F)F)c4)c3)[nH]c2c1=O | 10.1016/j.ejmech.2017.04.014 | ||
| 44574117 | 189287 | 0 | None | -1 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 404 | 4 | 2 | 6 | 3.0 | Cn1c(=O)c2[nH]c(-c3ccc(COC(=O)Nc4ccccc4)cc3)cc2n(C)c1=O | 10.1016/j.bmc.2009.03.062 | ||
| CHEMBL512290 | 189287 | 0 | None | -1 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 404 | 4 | 2 | 6 | 3.0 | Cn1c(=O)c2[nH]c(-c3ccc(COC(=O)Nc4ccccc4)cc3)cc2n(C)c1=O | 10.1016/j.bmc.2009.03.062 | ||
| 44451330 | 96155 | 0 | None | 53 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 507 | 5 | 1 | 7 | 2.6 | Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(c5cccc(Cl)c5)CC4)cc3)cc2n(C)c1=O | 10.1016/j.bmc.2008.01.002 | ||
| CHEMBL260693 | 96155 | 0 | None | 53 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 507 | 5 | 1 | 7 | 2.6 | Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(c5cccc(Cl)c5)CC4)cc3)cc2n(C)c1=O | 10.1016/j.bmc.2008.01.002 | ||
| 168297723 | 192428 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 327 | 4 | 2 | 6 | 2.2 | CCCn1c(=O)[nH]c2nc(-c3cccc(N=C=S)c3)[nH]c2c1=O | 10.1039/d2md00132b | ||
| CHEMBL5208506 | 192428 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 327 | 4 | 2 | 6 | 2.2 | CCCn1c(=O)[nH]c2nc(-c3cccc(N=C=S)c3)[nH]c2c1=O | 10.1039/d2md00132b | ||
| 44219683 | 196473 | 0 | None | 33 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 555 | 10 | 2 | 8 | 3.4 | CCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(Br)cc4)cc3)nc2n(CCCOC)c1=O | 10.1016/j.bmc.2009.03.029 | ||
| CHEMBL563425 | 196473 | 0 | None | 33 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 555 | 10 | 2 | 8 | 3.4 | CCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(Br)cc4)cc3)nc2n(CCCOC)c1=O | 10.1016/j.bmc.2009.03.029 | ||
| 44450981 | 95910 | 0 | None | 112 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 522 | 5 | 2 | 7 | 2.8 | Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCC(O)(c5ccc(Cl)cc5)CC4)cc3)cc2n(C)c1=O | 10.1016/j.bmc.2008.01.002 | ||
| CHEMBL259360 | 95910 | 0 | None | 112 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 522 | 5 | 2 | 7 | 2.8 | Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCC(O)(c5ccc(Cl)cc5)CC4)cc3)cc2n(C)c1=O | 10.1016/j.bmc.2008.01.002 | ||
| 76318040 | 105488 | 0 | None | -10 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 383 | 5 | 2 | 7 | 1.4 | Cn1c(=O)c2[nH]c(-c3ccc(OCCC4CCNCC4)cc3)nc2n(C)c1=O | 10.1016/j.ejmech.2014.01.045 | ||
| CHEMBL3121722 | 105488 | 0 | None | -10 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 383 | 5 | 2 | 7 | 1.4 | Cn1c(=O)c2[nH]c(-c3ccc(OCCC4CCNCC4)cc3)nc2n(C)c1=O | 10.1016/j.ejmech.2014.01.045 | ||
| 10962751 | 162612 | 0 | None | 5 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 560 | 9 | 2 | 8 | 2.7 | CCCCn1c(=O)[nH]c2[nH]c(-c3ccc(OCC(=O)N4CCN(C(=O)OCc5ccccc5)CC4)cc3)nc2c1=O | 10.1021/jm011049y | ||
| CHEMBL416963 | 162612 | 0 | None | 5 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 560 | 9 | 2 | 8 | 2.7 | CCCCn1c(=O)[nH]c2[nH]c(-c3ccc(OCC(=O)N4CCN(C(=O)OCc5ccccc5)CC4)cc3)nc2c1=O | 10.1021/jm011049y | ||
| 135522388 | 100084 | 0 | None | 7 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 543 | 9 | 2 | 9 | 2.9 | CCCn1c(=O)c2nc(-c3cc(OCC(=O)Nc4ccc(Br)cc4)nn3C)[nH]c2n(CCC)c1=O | 10.1021/jm0309654 | ||
| CHEMBL287529 | 100084 | 0 | None | 7 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 543 | 9 | 2 | 9 | 2.9 | CCCn1c(=O)c2nc(-c3cc(OCC(=O)Nc4ccc(Br)cc4)nn3C)[nH]c2n(CCC)c1=O | 10.1021/jm0309654 | ||
| 135522388 | 100084 | 0 | None | 7 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 543 | 9 | 2 | 9 | 2.9 | CCCn1c(=O)c2nc(-c3cc(OCC(=O)Nc4ccc(Br)cc4)nn3C)[nH]c2n(CCC)c1=O | 10.1021/jm0309654 | ||
| CHEMBL287529 | 100084 | 0 | None | 7 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 543 | 9 | 2 | 9 | 2.9 | CCCn1c(=O)c2nc(-c3cc(OCC(=O)Nc4ccc(Br)cc4)nn3C)[nH]c2n(CCC)c1=O | 10.1021/jm0309654 | ||
| 10007115 | 116318 | 0 | None | 15 | 5 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 527 | 8 | 1 | 8 | 5.7 | O=C(Cc1cccc2ccccc12)Nc1nc2nn(CCCc3ccccc3)cc2c2nc(-c3ccco3)nn12 | 10.1016/j.bmc.2010.09.043 | ||
| CHEMBL335950 | 116318 | 0 | None | 15 | 5 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 527 | 8 | 1 | 8 | 5.7 | O=C(Cc1cccc2ccccc12)Nc1nc2nn(CCCc3ccccc3)cc2c2nc(-c3ccco3)nn12 | 10.1016/j.bmc.2010.09.043 | ||
| 10007115 | 116318 | 0 | None | 15 | 5 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 527 | 8 | 1 | 8 | 5.7 | O=C(Cc1cccc2ccccc12)Nc1nc2nn(CCCc3ccccc3)cc2c2nc(-c3ccco3)nn12 | 10.1021/acs.jmedchem.5b01586 | ||
| CHEMBL335950 | 116318 | 0 | None | 15 | 5 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 527 | 8 | 1 | 8 | 5.7 | O=C(Cc1cccc2ccccc12)Nc1nc2nn(CCCc3ccccc3)cc2c2nc(-c3ccco3)nn12 | 10.1021/acs.jmedchem.5b01586 | ||
| 10007115 | 116318 | 0 | None | 15 | 5 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 527 | 8 | 1 | 8 | 5.7 | O=C(Cc1cccc2ccccc12)Nc1nc2nn(CCCc3ccccc3)cc2c2nc(-c3ccco3)nn12 | 10.1021/jm030852k | ||
| CHEMBL335950 | 116318 | 0 | None | 15 | 5 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 527 | 8 | 1 | 8 | 5.7 | O=C(Cc1cccc2ccccc12)Nc1nc2nn(CCCc3ccccc3)cc2c2nc(-c3ccco3)nn12 | 10.1021/jm030852k | ||
| 155530961 | 171567 | 0 | None | 15 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 513 | 7 | 1 | 8 | 5.8 | O=C(Nc1nc2nn(CCCc3ccccc3)cc2c2nc(-c3ccco3)nn12)c1cccc2ccccc12 | 10.1021/acs.jmedchem.9b00071 | ||
| CHEMBL4465141 | 171567 | 0 | None | 15 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 513 | 7 | 1 | 8 | 5.8 | O=C(Nc1nc2nn(CCCc3ccccc3)cc2c2nc(-c3ccco3)nn12)c1cccc2ccccc12 | 10.1021/acs.jmedchem.9b00071 | ||
| 136042327 | 71117 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 512 | 8 | 2 | 9 | 3.7 | CCCn1c(=O)c2[nH]c(-c3cc(OCc4nc5cc6ccccc6cc5[nH]4)nn3C)nc2n(CCC)c1=O | 10.1021/jm201292w | ||
| CHEMBL1955893 | 71117 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 512 | 8 | 2 | 9 | 3.7 | CCCn1c(=O)c2[nH]c(-c3cc(OCc4nc5cc6ccccc6cc5[nH]4)nn3C)nc2n(CCC)c1=O | 10.1021/jm201292w | ||
| 135874424 | 95819 | 0 | None | 7 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 469 | 8 | 2 | 8 | 2.9 | CCCn1c(=O)c2[nH]c(-c3ccn(CC(=O)Nc4ccc(Cl)cc4)n3)nc2n(CCC)c1=O | 10.1016/j.bmc.2007.11.058 | ||
| CHEMBL258987 | 95819 | 0 | None | 7 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 469 | 8 | 2 | 8 | 2.9 | CCCn1c(=O)c2[nH]c(-c3ccn(CC(=O)Nc4ccc(Cl)cc4)n3)nc2n(CCC)c1=O | 10.1016/j.bmc.2007.11.058 | ||
| 24827554 | 95955 | 0 | None | 17 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 447 | 5 | 1 | 8 | 2.8 | CCn1c(=O)n(CC(C)C)c(=O)c2[nH]c(-c3cnn(-c4ccc(C(F)(F)F)nc4)c3)nc21 | 10.1021/jm7014815 | ||
| CHEMBL259565 | 95955 | 0 | None | 17 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 447 | 5 | 1 | 8 | 2.8 | CCn1c(=O)n(CC(C)C)c(=O)c2[nH]c(-c3cnn(-c4ccc(C(F)(F)F)nc4)c3)nc21 | 10.1021/jm7014815 | ||
| 52950040 | 19128 | 0 | None | 2 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 523 | 10 | 2 | 5 | 6.1 | CC[C@H](NC(=O)COc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccccc3)c2c1)c1ccccc1 | 10.1016/j.bmcl.2010.10.030 | ||
| CHEMBL1289569 | 19128 | 0 | None | 2 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 523 | 10 | 2 | 5 | 6.1 | CC[C@H](NC(=O)COc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccccc3)c2c1)c1ccccc1 | 10.1016/j.bmcl.2010.10.030 | ||
| 11547107 | 77051 | 0 | None | 2 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 460 | 7 | 1 | 7 | 3.6 | CCCn1c(=O)c2nc(-c3cnn(Cc4ccc(C(F)(F)F)cc4)c3)[nH]c2n(CCC)c1=O | 10.1021/jm051268+ | ||
| CHEMBL207434 | 77051 | 0 | None | 2 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 460 | 7 | 1 | 7 | 3.6 | CCCn1c(=O)c2nc(-c3cnn(Cc4ccc(C(F)(F)F)cc4)c3)[nH]c2n(CCC)c1=O | 10.1021/jm051268+ | ||
| 11495611 | 139059 | 0 | None | 2 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 426 | 7 | 1 | 7 | 3.3 | CCCn1c(=O)c2nc(-c3cnn(Cc4ccccc4Cl)c3)[nH]c2n(CCC)c1=O | 10.1021/jm051268+ | ||
| CHEMBL378652 | 139059 | 0 | None | 2 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 426 | 7 | 1 | 7 | 3.3 | CCCn1c(=O)c2nc(-c3cnn(Cc4ccccc4Cl)c3)[nH]c2n(CCC)c1=O | 10.1021/jm051268+ | ||
| 11503942 | 73062 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 480 | 8 | 2 | 6 | 3.5 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NCc4ccc(Cl)cc4)cc3)cc2n(C)c1=O | 10.1021/jm0506221 | ||
| CHEMBL201109 | 73062 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 480 | 8 | 2 | 6 | 3.5 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NCc4ccc(Cl)cc4)cc3)cc2n(C)c1=O | 10.1021/jm0506221 | ||
| 44451230 | 96357 | 0 | None | 7 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 573 | 9 | 1 | 8 | 3.7 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(C(=O)Oc5ccccc5)CC4)cc3)cc2n(CCC)c1=O | 10.1016/j.bmc.2008.01.002 | ||
| CHEMBL261792 | 96357 | 0 | None | 7 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 573 | 9 | 1 | 8 | 3.7 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(C(=O)Oc5ccccc5)CC4)cc3)cc2n(CCC)c1=O | 10.1016/j.bmc.2008.01.002 | ||
| 44451492 | 159051 | 0 | None | 17 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 487 | 5 | 1 | 7 | 2.3 | CC(Oc1ccc(-c2cc3c([nH]2)c(=O)n(C)c(=O)n3C)cc1)C(=O)N1CCN(c2ccccc2)CC1 | 10.1016/j.bmc.2008.01.002 | ||
| CHEMBL409726 | 159051 | 0 | None | 17 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 487 | 5 | 1 | 7 | 2.3 | CC(Oc1ccc(-c2cc3c([nH]2)c(=O)n(C)c(=O)n3C)cc1)C(=O)N1CCN(c2ccccc2)CC1 | 10.1016/j.bmc.2008.01.002 | ||
| 50940978 | 57249 | 0 | None | -3 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 283 | 4 | 1 | 5 | 3.3 | CCC(=O)Nc1cc(-c2ccco2)nc(-c2ccco2)n1 | 10.1021/jm100843z | ||
| CHEMBL1650385 | 57249 | 0 | None | -3 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 283 | 4 | 1 | 5 | 3.3 | CCC(=O)Nc1cc(-c2ccco2)nc(-c2ccco2)n1 | 10.1021/jm100843z | ||
| 127033039 | 138976 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 323 | 3 | 1 | 6 | 3.5 | CCOC(=O)C1=C(C)Nc2nc3ccccc3n2C1c1ccoc1 | 10.1021/acs.jmedchem.0c00564 | ||
| CHEMBL3785582 | 138976 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 323 | 3 | 1 | 6 | 3.5 | CCOC(=O)C1=C(C)Nc2nc3ccccc3n2C1c1ccoc1 | 10.1021/acs.jmedchem.0c00564 | ||
| 127033039 | 138976 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 323 | 3 | 1 | 6 | 3.5 | CCOC(=O)C1=C(C)Nc2nc3ccccc3n2C1c1ccoc1 | 10.1021/acs.jmedchem.5b01586 | ||
| CHEMBL3785582 | 138976 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 323 | 3 | 1 | 6 | 3.5 | CCOC(=O)C1=C(C)Nc2nc3ccccc3n2C1c1ccoc1 | 10.1021/acs.jmedchem.5b01586 | ||
| 127033039 | 138976 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 323 | 3 | 1 | 6 | 3.5 | CCOC(=O)C1=C(C)Nc2nc3ccccc3n2C1c1ccoc1 | 10.1021/acs.jmedchem.9b01340 | ||
| CHEMBL3785582 | 138976 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 323 | 3 | 1 | 6 | 3.5 | CCOC(=O)C1=C(C)Nc2nc3ccccc3n2C1c1ccoc1 | 10.1021/acs.jmedchem.9b01340 | ||
| 136044106 | 49919 | 0 | None | 2 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 344 | 5 | 3 | 7 | 1.8 | CCCn1c(=O)c2nc(-c3ccc(O)cc3O)[nH]c2n(CCC)c1=O | 10.1021/jm0104318 | ||
| CHEMBL156863 | 49919 | 0 | None | 2 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 344 | 5 | 3 | 7 | 1.8 | CCCn1c(=O)c2nc(-c3ccc(O)cc3O)[nH]c2n(CCC)c1=O | 10.1021/jm0104318 | ||
| 45267991 | 196082 | 0 | None | 4 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 468 | 10 | 2 | 10 | 1.6 | CCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccon4)cc3)nc2n(CCCOC)c1=O | 10.1016/j.bmc.2009.03.029 | ||
| CHEMBL560905 | 196082 | 0 | None | 4 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 468 | 10 | 2 | 10 | 1.6 | CCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccon4)cc3)nc2n(CCCOC)c1=O | 10.1016/j.bmc.2009.03.029 | ||
| 11525816 | 73331 | 0 | None | 15 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 477 | 9 | 3 | 8 | 3.1 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ncccc4O)cc3)cc2n(CCC)c1=O | 10.1021/jm0506221 | ||
| CHEMBL201329 | 73331 | 0 | None | 15 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 477 | 9 | 3 | 8 | 3.1 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ncccc4O)cc3)cc2n(CCC)c1=O | 10.1021/jm0506221 | ||
| 44450904 | 96069 | 0 | None | 28 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 528 | 9 | 1 | 6 | 4.8 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCC(c5ccccc5)CC4)cc3)cc2n(CCC)c1=O | 10.1016/j.bmc.2008.01.002 | ||
| CHEMBL260180 | 96069 | 0 | None | 28 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 528 | 9 | 1 | 6 | 4.8 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCC(c5ccccc5)CC4)cc3)cc2n(CCC)c1=O | 10.1016/j.bmc.2008.01.002 | ||
| 9887859 | 113485 | 0 | None | -10000 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 375 | 3 | 2 | 9 | 2.3 | Cn1cc2c(nc(NC(=O)Nc3ccncc3)n3nc(-c4ccco4)nc23)n1 | 10.1016/j.bmc.2011.11.037 | ||
| CHEMBL118923 | 113485 | 0 | None | -10000 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 375 | 3 | 2 | 9 | 2.3 | Cn1cc2c(nc(NC(=O)Nc3ccncc3)n3nc(-c4ccco4)nc23)n1 | 10.1016/j.bmc.2011.11.037 | ||
| CHEMBL332091 | 113485 | 0 | None | -10000 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 375 | 3 | 2 | 9 | 2.3 | Cn1cc2c(nc(NC(=O)Nc3ccncc3)n3nc(-c4ccco4)nc23)n1 | 10.1016/j.bmc.2011.11.037 | ||
| 137636200 | 156042 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 425 | 9 | 1 | 8 | 1.9 | CCCn1c(=O)c2[nH]c(-c3cnn(CC#CCN(CC)CC)c3)nc2n(CCC)c1=O | 10.1016/j.ejmech.2017.04.014 | ||
| CHEMBL4062691 | 156042 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 425 | 9 | 1 | 8 | 1.9 | CCCn1c(=O)c2[nH]c(-c3cnn(CC#CCN(CC)CC)c3)nc2n(CCC)c1=O | 10.1016/j.ejmech.2017.04.014 | ||
| 9887859 | 113485 | 0 | None | -10000 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 375 | 3 | 2 | 9 | 2.3 | Cn1cc2c(nc(NC(=O)Nc3ccncc3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm020974x | ||
| CHEMBL118923 | 113485 | 0 | None | -10000 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 375 | 3 | 2 | 9 | 2.3 | Cn1cc2c(nc(NC(=O)Nc3ccncc3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm020974x | ||
| CHEMBL332091 | 113485 | 0 | None | -10000 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 375 | 3 | 2 | 9 | 2.3 | Cn1cc2c(nc(NC(=O)Nc3ccncc3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm020974x | ||
| 11569515 | 78186 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 494 | 7 | 1 | 7 | 4.3 | CCCn1c(=O)c2nc(-c3cnn(Cc4ccc(Cl)c(C(F)(F)F)c4)c3)[nH]c2n(CCC)c1=O | 10.1021/jm051268+ | ||
| CHEMBL210565 | 78186 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 494 | 7 | 1 | 7 | 4.3 | CCCn1c(=O)c2nc(-c3cnn(Cc4ccc(Cl)c(C(F)(F)F)c4)c3)[nH]c2n(CCC)c1=O | 10.1021/jm051268+ | ||
| 135428630 | 81554 | 0 | None | -2818 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 385 | 4 | 2 | 4 | 3.2 | CCCN1C(=O)N2C[C@@H](C(C)C)N=C2c2[nH]c(C34CCC(O)(CC3)CC4)nc21 | 10.1021/jm060539t | ||
| CHEMBL216269 | 81554 | 0 | None | -2818 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 385 | 4 | 2 | 4 | 3.2 | CCCN1C(=O)N2C[C@@H](C(C)C)N=C2c2[nH]c(C34CCC(O)(CC3)CC4)nc21 | 10.1021/jm060539t | ||
| 162663149 | 181925 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 278 | 4 | 2 | 4 | 2.2 | CCC(C)OC(=O)C1=C(C)NC(=O)NC1c1ccoc1 | 10.1021/acs.jmedchem.0c01431 | ||
| CHEMBL4779925 | 181925 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 278 | 4 | 2 | 4 | 2.2 | CCC(C)OC(=O)C1=C(C)NC(=O)NC1c1ccoc1 | 10.1021/acs.jmedchem.0c01431 | ||
| 162667688 | 182455 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 280 | 4 | 2 | 4 | 2.3 | CCCOC(=O)C1=C(C)NC(=O)NC1c1ccsc1 | 10.1021/acs.jmedchem.0c01431 | ||
| CHEMBL4786646 | 182455 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 280 | 4 | 2 | 4 | 2.3 | CCCOC(=O)C1=C(C)NC(=O)NC1c1ccsc1 | 10.1021/acs.jmedchem.0c01431 | ||
| 46880472 | 6046 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 305 | 4 | 2 | 4 | 2.9 | O=C(Nc1ccc(-c2ccncc2)c(-c2cc[nH]n2)n1)C1CC1 | 10.1016/j.bmcl.2010.01.045 | ||
| CHEMBL1080678 | 6046 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 305 | 4 | 2 | 4 | 2.9 | O=C(Nc1ccc(-c2ccncc2)c(-c2cc[nH]n2)n1)C1CC1 | 10.1016/j.bmcl.2010.01.045 | ||
| 10765059 | 102668 | 0 | None | -354 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 430 | 6 | 2 | 9 | 3.6 | C=CCn1cc2c(nc(NC(=O)Nc3ccc(OC)cc3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm001047y | ||
| CHEMBL304726 | 102668 | 0 | None | -354 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 430 | 6 | 2 | 9 | 3.6 | C=CCn1cc2c(nc(NC(=O)Nc3ccc(OC)cc3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm001047y | ||
| 123683 | 3099 | 63 | None | -95499 | 13 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 510 | 5 | 4 | 9 | 0.4 | CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NCc1cccc(c1)I | 10.1016/j.bmcl.2006.01.110 | ||
| 422 | 3099 | 63 | None | -95499 | 13 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 510 | 5 | 4 | 9 | 0.4 | CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NCc1cccc(c1)I | 10.1016/j.bmcl.2006.01.110 | ||
| CHEMBL119709 | 3099 | 63 | None | -95499 | 13 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 510 | 5 | 4 | 9 | 0.4 | CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NCc1cccc(c1)I | 10.1016/j.bmcl.2006.01.110 | ||
| DB05511 | 3099 | 63 | None | -95499 | 13 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 510 | 5 | 4 | 9 | 0.4 | CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NCc1cccc(c1)I | 10.1016/j.bmcl.2006.01.110 | ||
| 123807 | 868 | 54 | None | -13803 | 13 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 369 | 4 | 4 | 9 | 0.4 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(Cl)nc2NC1CCCC1 | 10.1021/jm9905965 | ||
| 374 | 868 | 54 | None | -13803 | 13 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 369 | 4 | 4 | 9 | 0.4 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(Cl)nc2NC1CCCC1 | 10.1021/jm9905965 | ||
| 379 | 868 | 54 | None | -13803 | 13 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 369 | 4 | 4 | 9 | 0.4 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(Cl)nc2NC1CCCC1 | 10.1021/jm9905965 | ||
| CHEMBL284969 | 868 | 54 | None | -13803 | 13 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 369 | 4 | 4 | 9 | 0.4 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(Cl)nc2NC1CCCC1 | 10.1021/jm9905965 | ||
| 9822747 | 119355 | 0 | None | -16 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 408 | 3 | 2 | 8 | 3.6 | Cn1cc2c(nc(NC(=O)Nc3cccc(Cl)c3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm001047y | ||
| CHEMBL344501 | 119355 | 0 | None | -16 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 408 | 3 | 2 | 8 | 3.6 | Cn1cc2c(nc(NC(=O)Nc3cccc(Cl)c3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm001047y | ||
| 9822747 | 119355 | 0 | None | -16 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 408 | 3 | 2 | 8 | 3.6 | Cn1cc2c(nc(NC(=O)Nc3cccc(Cl)c3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm0109614 | ||
| CHEMBL344501 | 119355 | 0 | None | -16 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 408 | 3 | 2 | 8 | 3.6 | Cn1cc2c(nc(NC(=O)Nc3cccc(Cl)c3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm0109614 | ||
| 2519 | 776 | 86 | None | -11 | 12 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | 10.1016/j.ejmech.2011.05.023 | ||
| 407 | 776 | 86 | None | -11 | 12 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | 10.1016/j.ejmech.2011.05.023 | ||
| 463 | 776 | 86 | None | -11 | 12 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | 10.1016/j.ejmech.2011.05.023 | ||
| CHEMBL113 | 776 | 86 | None | -11 | 12 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | 10.1016/j.ejmech.2011.05.023 | ||
| DB00201 | 776 | 86 | None | -11 | 12 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | 10.1016/j.ejmech.2011.05.023 | ||
| 2519 | 776 | 86 | None | -11 | 12 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | 10.1021/acs.jmedchem.0c00237 | ||
| 407 | 776 | 86 | None | -11 | 12 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | 10.1021/acs.jmedchem.0c00237 | ||
| 463 | 776 | 86 | None | -11 | 12 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | 10.1021/acs.jmedchem.0c00237 | ||
| CHEMBL113 | 776 | 86 | None | -11 | 12 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | 10.1021/acs.jmedchem.0c00237 | ||
| DB00201 | 776 | 86 | None | -11 | 12 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | 10.1021/acs.jmedchem.0c00237 | ||
| 2519 | 776 | 86 | None | -11 | 12 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | 10.1021/jm4011669 | ||
| 407 | 776 | 86 | None | -11 | 12 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | 10.1021/jm4011669 | ||
| 463 | 776 | 86 | None | -11 | 12 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | 10.1021/jm4011669 | ||
| CHEMBL113 | 776 | 86 | None | -11 | 12 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | 10.1021/jm4011669 | ||
| DB00201 | 776 | 86 | None | -11 | 12 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | 10.1021/jm4011669 | ||
| 459 | 2600 | 34 | None | -389 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 432 | 6 | 2 | 9 | 3.8 | CCCn1cc2c(n1)nc(n1c2nc(n1)c1ccco1)NC(=O)Nc1ccc(cc1)OC | 10.1021/jm001047y | ||
| 477 | 2600 | 34 | None | -389 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 432 | 6 | 2 | 9 | 3.8 | CCCn1cc2c(n1)nc(n1c2nc(n1)c1ccco1)NC(=O)Nc1ccc(cc1)OC | 10.1021/jm001047y | ||
| 5310960 | 2600 | 34 | None | -389 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 432 | 6 | 2 | 9 | 3.8 | CCCn1cc2c(n1)nc(n1c2nc(n1)c1ccco1)NC(=O)Nc1ccc(cc1)OC | 10.1021/jm001047y | ||
| CHEMBL302765 | 2600 | 34 | None | -389 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 432 | 6 | 2 | 9 | 3.8 | CCCn1cc2c(n1)nc(n1c2nc(n1)c1ccco1)NC(=O)Nc1ccc(cc1)OC | 10.1021/jm001047y | ||
| 459 | 2600 | 34 | None | -389 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 432 | 6 | 2 | 9 | 3.8 | CCCn1cc2c(n1)nc(n1c2nc(n1)c1ccco1)NC(=O)Nc1ccc(cc1)OC | 10.1021/jm010818a | ||
| 477 | 2600 | 34 | None | -389 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 432 | 6 | 2 | 9 | 3.8 | CCCn1cc2c(n1)nc(n1c2nc(n1)c1ccco1)NC(=O)Nc1ccc(cc1)OC | 10.1021/jm010818a | ||
| 5310960 | 2600 | 34 | None | -389 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 432 | 6 | 2 | 9 | 3.8 | CCCn1cc2c(n1)nc(n1c2nc(n1)c1ccco1)NC(=O)Nc1ccc(cc1)OC | 10.1021/jm010818a | ||
| CHEMBL302765 | 2600 | 34 | None | -389 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 432 | 6 | 2 | 9 | 3.8 | CCCn1cc2c(n1)nc(n1c2nc(n1)c1ccco1)NC(=O)Nc1ccc(cc1)OC | 10.1021/jm010818a | ||
| 459 | 2600 | 34 | None | -389 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 432 | 6 | 2 | 9 | 3.8 | CCCn1cc2c(n1)nc(n1c2nc(n1)c1ccco1)NC(=O)Nc1ccc(cc1)OC | 10.1021/jm0109614 | ||
| 477 | 2600 | 34 | None | -389 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 432 | 6 | 2 | 9 | 3.8 | CCCn1cc2c(n1)nc(n1c2nc(n1)c1ccco1)NC(=O)Nc1ccc(cc1)OC | 10.1021/jm0109614 | ||
| 5310960 | 2600 | 34 | None | -389 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 432 | 6 | 2 | 9 | 3.8 | CCCn1cc2c(n1)nc(n1c2nc(n1)c1ccco1)NC(=O)Nc1ccc(cc1)OC | 10.1021/jm0109614 | ||
| CHEMBL302765 | 2600 | 34 | None | -389 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 432 | 6 | 2 | 9 | 3.8 | CCCn1cc2c(n1)nc(n1c2nc(n1)c1ccco1)NC(=O)Nc1ccc(cc1)OC | 10.1021/jm0109614 | ||
| 459 | 2600 | 34 | None | -389 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 432 | 6 | 2 | 9 | 3.8 | CCCn1cc2c(n1)nc(n1c2nc(n1)c1ccco1)NC(=O)Nc1ccc(cc1)OC | 10.1021/jm010570p | ||
| 477 | 2600 | 34 | None | -389 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 432 | 6 | 2 | 9 | 3.8 | CCCn1cc2c(n1)nc(n1c2nc(n1)c1ccco1)NC(=O)Nc1ccc(cc1)OC | 10.1021/jm010570p | ||
| 5310960 | 2600 | 34 | None | -389 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 432 | 6 | 2 | 9 | 3.8 | CCCn1cc2c(n1)nc(n1c2nc(n1)c1ccco1)NC(=O)Nc1ccc(cc1)OC | 10.1021/jm010570p | ||
| CHEMBL302765 | 2600 | 34 | None | -389 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 432 | 6 | 2 | 9 | 3.8 | CCCn1cc2c(n1)nc(n1c2nc(n1)c1ccco1)NC(=O)Nc1ccc(cc1)OC | 10.1021/jm010570p | ||
| 15524546 | 103824 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 264 | 4 | 2 | 4 | 1.9 | CCCOC(=O)C1=C(C)NC(=O)NC1c1ccco1 | 10.1021/acs.jmedchem.0c01431 | ||
| CHEMBL3091707 | 103824 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 264 | 4 | 2 | 4 | 1.9 | CCCOC(=O)C1=C(C)NC(=O)NC1c1ccco1 | 10.1021/acs.jmedchem.0c01431 | ||
| 21874662 | 189345 | 0 | None | -23 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 332 | 3 | 2 | 8 | 2.0 | Nc1nc(-c2ccco2)c2nnn(Cc3ccc4[nH]ncc4c3)c2n1 | 10.1021/jm800961g | ||
| CHEMBL512812 | 189345 | 0 | None | -23 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 332 | 3 | 2 | 8 | 2.0 | Nc1nc(-c2ccco2)c2nnn(Cc3ccc4[nH]ncc4c3)c2n1 | 10.1021/jm800961g | ||
| 15524546 | 103824 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 264 | 4 | 2 | 4 | 1.9 | CCCOC(=O)C1=C(C)NC(=O)NC1c1ccco1 | 10.1021/ml400185v | ||
| CHEMBL3091707 | 103824 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 264 | 4 | 2 | 4 | 1.9 | CCCOC(=O)C1=C(C)NC(=O)NC1c1ccco1 | 10.1021/ml400185v | ||
| 135486084 | 13819 | 0 | None | -3 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 416 | 9 | 3 | 9 | 0.8 | CCCn1c(=O)c2nc(-c3cc(NC(=O)CCCN)nn3C)[nH]c2n(CCC)c1=O | 10.1021/jm0309654 | ||
| CHEMBL1195913 | 13819 | 0 | None | -3 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 416 | 9 | 3 | 9 | 0.8 | CCCn1c(=O)c2nc(-c3cc(NC(=O)CCCN)nn3C)[nH]c2n(CCC)c1=O | 10.1021/jm0309654 | ||
| CHEMBL555577 | 13819 | 0 | None | -3 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 416 | 9 | 3 | 9 | 0.8 | CCCn1c(=O)c2nc(-c3cc(NC(=O)CCCN)nn3C)[nH]c2n(CCC)c1=O | 10.1021/jm0309654 | ||
| 44390651 | 64740 | 0 | None | 1 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 511 | 9 | 1 | 10 | 3.9 | CCCn1c(=O)c2nc(-c3ccc(OCc4noc(-c5ccc(C#N)cc5)n4)cc3)[nH]c2n(CCC)c1=O | 10.1016/j.bmcl.2004.11.044 | ||
| CHEMBL181925 | 64740 | 0 | None | 1 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 511 | 9 | 1 | 10 | 3.9 | CCCn1c(=O)c2nc(-c3ccc(OCc4noc(-c5ccc(C#N)cc5)n4)cc3)[nH]c2n(CCC)c1=O | 10.1016/j.bmcl.2004.11.044 | ||
| 135546658 | 116266 | 0 | None | -2 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 511 | 9 | 2 | 9 | 2.8 | CC(C)Cn1c(=O)c2nc(-c3cc(OCC(=O)Nc4ccc(F)cc4)n(C)n3)[nH]c2n(CC(C)C)c1=O | 10.1021/jm0309654 | ||
| CHEMBL33591 | 116266 | 0 | None | -2 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 511 | 9 | 2 | 9 | 2.8 | CC(C)Cn1c(=O)c2nc(-c3cc(OCC(=O)Nc4ccc(F)cc4)n(C)n3)[nH]c2n(CC(C)C)c1=O | 10.1021/jm0309654 | ||
| 11995557 | 165835 | 0 | None | -26 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 459 | 8 | 2 | 8 | 1.6 | CCCn1c(=O)c2nc([C@]34CC[C@](C(=O)NCC(=O)OC)(CC3)CC4)[nH]c2n(CCC)c1=O | 10.1021/jm0605381 | ||
| CHEMBL424908 | 165835 | 0 | None | -26 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 459 | 8 | 2 | 8 | 1.6 | CCCn1c(=O)c2nc([C@]34CC[C@](C(=O)NCC(=O)OC)(CC3)CC4)[nH]c2n(CCC)c1=O | 10.1021/jm0605381 | ||
| 46880511 | 6126 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 317 | 4 | 1 | 5 | 2.9 | O=C(Nc1ccc(-c2ccncc2)c(-c2ccncn2)n1)C1CC1 | 10.1016/j.bmcl.2010.01.045 | ||
| CHEMBL1081042 | 6126 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 317 | 4 | 1 | 5 | 2.9 | O=C(Nc1ccc(-c2ccncc2)c(-c2ccncn2)n1)C1CC1 | 10.1016/j.bmcl.2010.01.045 | ||
| 44390587 | 63884 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 520 | 9 | 1 | 9 | 4.7 | CCCn1c(=O)c2nc(-c3ccc(OCc4noc(-c5cccc(Cl)c5)n4)cc3)[nH]c2n(CCC)c1=O | 10.1016/j.bmcl.2004.11.044 | ||
| CHEMBL180588 | 63884 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 520 | 9 | 1 | 9 | 4.7 | CCCn1c(=O)c2nc(-c3ccc(OCc4noc(-c5cccc(Cl)c5)n4)cc3)[nH]c2n(CCC)c1=O | 10.1016/j.bmcl.2004.11.044 | ||
| 350741 | 163393 | 2 | None | - | 1 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 236 | 2 | 0 | 7 | -1.0 | CC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O | 10.1021/jm0104318 | ||
| CHEMBL419617 | 163393 | 2 | None | - | 1 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 236 | 2 | 0 | 7 | -1.0 | CC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O | 10.1021/jm0104318 | ||
| 22266765 | 94561 | 0 | None | 30 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 460 | 8 | 1 | 10 | 2.7 | CCCn1c(=O)c2[nH]c(-c3cnn(Cc4noc(-c5ccccc5)n4)c3)nc2n(CCC)c1=O | 10.1016/j.bmcl.2008.01.008 | ||
| CHEMBL252045 | 94561 | 0 | None | 30 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 460 | 8 | 1 | 10 | 2.7 | CCCn1c(=O)c2[nH]c(-c3cnn(Cc4noc(-c5ccccc5)n4)c3)nc2n(CCC)c1=O | 10.1016/j.bmcl.2008.01.008 | ||
| 11952504 | 5990 | 0 | None | 34 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 263 | 2 | 1 | 5 | 2.7 | c1coc(-c2nc3[nH]cnc3cc2-c2ccncn2)c1 | 10.1016/j.bmcl.2010.01.077 | ||
| CHEMBL1080327 | 5990 | 0 | None | 34 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 263 | 2 | 1 | 5 | 2.7 | c1coc(-c2nc3[nH]cnc3cc2-c2ccncn2)c1 | 10.1016/j.bmcl.2010.01.077 | ||
| 22266765 | 94561 | 0 | None | 30 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 460 | 8 | 1 | 10 | 2.7 | CCCn1c(=O)c2[nH]c(-c3cnn(Cc4noc(-c5ccccc5)n4)c3)nc2n(CCC)c1=O | 10.1016/j.bmcl.2005.10.002 | ||
| CHEMBL252045 | 94561 | 0 | None | 30 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 460 | 8 | 1 | 10 | 2.7 | CCCn1c(=O)c2[nH]c(-c3cnn(Cc4noc(-c5ccccc5)n4)c3)nc2n(CCC)c1=O | 10.1016/j.bmcl.2005.10.002 | ||
| 11260448 | 135169 | 0 | None | 19 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 494 | 8 | 1 | 10 | 3.3 | CCCn1c(=O)c2nc(-c3cnn(Cc4nc(-c5ccc(Cl)cc5)no4)c3)[nH]c2n(CCC)c1=O | 10.1016/j.bmcl.2005.10.002 | ||
| CHEMBL372084 | 135169 | 0 | None | 19 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 494 | 8 | 1 | 10 | 3.3 | CCCn1c(=O)c2nc(-c3cnn(Cc4nc(-c5ccc(Cl)cc5)no4)c3)[nH]c2n(CCC)c1=O | 10.1016/j.bmcl.2005.10.002 | ||
| 10029879 | 135170 | 0 | None | 61 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 528 | 8 | 1 | 10 | 3.7 | CCCn1c(=O)c2nc(-c3cnn(Cc4noc(-c5ccc(C(F)(F)F)cc5)n4)c3)[nH]c2n(CCC)c1=O | 10.1016/j.bmcl.2005.10.002 | ||
| CHEMBL372086 | 135170 | 0 | None | 61 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 528 | 8 | 1 | 10 | 3.7 | CCCn1c(=O)c2nc(-c3cnn(Cc4noc(-c5ccc(C(F)(F)F)cc5)n4)c3)[nH]c2n(CCC)c1=O | 10.1016/j.bmcl.2005.10.002 | ||
| 21916408 | 159168 | 0 | None | 9 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 378 | 5 | 1 | 7 | 2.0 | CC(C)Cn1c(=O)c2[nH]c(-c3cnn(Cc4ccccc4)c3)nc2n(C)c1=O | 10.1021/jm7014815 | ||
| CHEMBL409852 | 159168 | 0 | None | 9 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 378 | 5 | 1 | 7 | 2.0 | CC(C)Cn1c(=O)c2[nH]c(-c3cnn(Cc4ccccc4)c3)nc2n(C)c1=O | 10.1021/jm7014815 | ||
| 21916406 | 161431 | 0 | None | 7 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 444 | 5 | 1 | 7 | 2.8 | Cn1c(=O)n(CC2CC2)c(=O)c2[nH]c(-c3cnn(Cc4cccc(C(F)(F)F)c4)c3)nc21 | 10.1021/jm7014815 | ||
| CHEMBL412747 | 161431 | 0 | None | 7 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 444 | 5 | 1 | 7 | 2.8 | Cn1c(=O)n(CC2CC2)c(=O)c2[nH]c(-c3cnn(Cc4cccc(C(F)(F)F)c4)c3)nc21 | 10.1021/jm7014815 | ||
| 135444614 | 114711 | 0 | None | -40 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 350 | 7 | 1 | 6 | 3.8 | CCCCc1nc2[nH]cnc2c2nc(-c3ccc(OCCC)cc3)nn12 | 10.1021/jm010570p | ||
| CHEMBL333860 | 114711 | 0 | None | -40 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 350 | 7 | 1 | 6 | 3.8 | CCCCc1nc2[nH]cnc2c2nc(-c3ccc(OCCC)cc3)nn12 | 10.1021/jm010570p | ||
| 11640595 | 140167 | 0 | None | 9 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 432 | 7 | 2 | 6 | 3.1 | CCCn1c(=O)n(C)c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccccc4)cc3)cc21 | 10.1021/jm0506221 | ||
| CHEMBL380481 | 140167 | 0 | None | 9 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 432 | 7 | 2 | 6 | 3.1 | CCCn1c(=O)n(C)c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccccc4)cc3)cc21 | 10.1021/jm0506221 | ||
| 44450905 | 95991 | 0 | None | 48 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 604 | 10 | 1 | 6 | 6.0 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCC(c5ccccc5)(c5ccccc5)CC4)cc3)cc2n(CCC)c1=O | 10.1016/j.bmc.2008.01.002 | ||
| CHEMBL259760 | 95991 | 0 | None | 48 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 604 | 10 | 1 | 6 | 6.0 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCC(c5ccccc5)(c5ccccc5)CC4)cc3)cc2n(CCC)c1=O | 10.1016/j.bmc.2008.01.002 | ||
| 46228023 | 199887 | 0 | None | 6 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 382 | 6 | 0 | 8 | 2.4 | C=CCn1c(=O)c2c(nc(Cc3cccs3)n2C)n(Cc2ccco2)c1=O | 10.1016/j.bmc.2009.07.034 | ||
| CHEMBL594735 | 199887 | 0 | None | 6 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 382 | 6 | 0 | 8 | 2.4 | C=CCn1c(=O)c2c(nc(Cc3cccs3)n2C)n(Cc2ccco2)c1=O | 10.1016/j.bmc.2009.07.034 | ||
| 46227952 | 201122 | 0 | None | 6 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 412 | 6 | 0 | 7 | 2.6 | C=CCn1c(=O)c2c(nc(Cc3c(F)cccc3F)n2C)n(Cc2ccco2)c1=O | 10.1016/j.bmc.2009.07.034 | ||
| CHEMBL603209 | 201122 | 0 | None | 6 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 412 | 6 | 0 | 7 | 2.6 | C=CCn1c(=O)c2c(nc(Cc3c(F)cccc3F)n2C)n(Cc2ccco2)c1=O | 10.1016/j.bmc.2009.07.034 | ||
| 66893508 | 157072 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 505 | 9 | 1 | 9 | 2.6 | CCCn1c(=O)c2[nH]c(-c3cnn(CC4CC(=O)N(c5cccc(OC)c5)C4)c3)nc2n(CCC)c1=O | 10.1016/j.ejmech.2016.11.007 | ||
| CHEMBL4074473 | 157072 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 505 | 9 | 1 | 9 | 2.6 | CCCn1c(=O)c2[nH]c(-c3cnn(CC4CC(=O)N(c5cccc(OC)c5)C4)c3)nc2n(CCC)c1=O | 10.1016/j.ejmech.2016.11.007 | ||
| CHEMBL5092037 | 215321 | 0 | None | -2 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | None | None | None | N#Cc1c(-c2ccccc2)nc(N)nc1-c1ccco1 | 10.1021/acs.jmedchem.1c01636 | ||||
| 11584826 | 73005 | 0 | None | -1 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 552 | 10 | 4 | 10 | 1.7 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)c4c(NC(=O)O)[nH]c(=O)n(C)c4=O)cc3)cc2n(CCC)c1=O | 10.1021/jm0506221 | ||
| CHEMBL201026 | 73005 | 0 | None | -1 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 552 | 10 | 4 | 10 | 1.7 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)c4c(NC(=O)O)[nH]c(=O)n(C)c4=O)cc3)cc2n(CCC)c1=O | 10.1021/jm0506221 | ||
| 46837562 | 10690 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 496 | 7 | 3 | 5 | 3.9 | CCCn1c(=O)[nH]c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(Br)cc4)cc3)cc21 | 10.1016/j.ejmech.2010.03.011 | ||
| CHEMBL1170990 | 10690 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 496 | 7 | 3 | 5 | 3.9 | CCCn1c(=O)[nH]c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(Br)cc4)cc3)cc21 | 10.1016/j.ejmech.2010.03.011 | ||
| 136396061 | 159008 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 510 | 9 | 1 | 9 | 2.9 | CCCn1c(=O)c2[nH]c(-c3cc(OCC4CC(=O)N(c5ccc(F)cc5)C4)no3)nc2n(CCC)c1=O | 10.1016/j.ejmech.2016.11.007 | ||
| CHEMBL4096730 | 159008 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 510 | 9 | 1 | 9 | 2.9 | CCCn1c(=O)c2[nH]c(-c3cc(OCC4CC(=O)N(c5ccc(F)cc5)C4)no3)nc2n(CCC)c1=O | 10.1016/j.ejmech.2016.11.007 | ||
| 459 | 2600 | 34 | None | -389 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 432 | 6 | 2 | 9 | 3.8 | CCCn1cc2c(n1)nc(n1c2nc(n1)c1ccco1)NC(=O)Nc1ccc(cc1)OC | 10.1016/j.bmc.2011.11.037 | ||
| 477 | 2600 | 34 | None | -389 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 432 | 6 | 2 | 9 | 3.8 | CCCn1cc2c(n1)nc(n1c2nc(n1)c1ccco1)NC(=O)Nc1ccc(cc1)OC | 10.1016/j.bmc.2011.11.037 | ||
| 5310960 | 2600 | 34 | None | -389 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 432 | 6 | 2 | 9 | 3.8 | CCCn1cc2c(n1)nc(n1c2nc(n1)c1ccco1)NC(=O)Nc1ccc(cc1)OC | 10.1016/j.bmc.2011.11.037 | ||
| CHEMBL302765 | 2600 | 34 | None | -389 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 432 | 6 | 2 | 9 | 3.8 | CCCn1cc2c(n1)nc(n1c2nc(n1)c1ccco1)NC(=O)Nc1ccc(cc1)OC | 10.1016/j.bmc.2011.11.037 | ||
| 135489505 | 139719 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 344 | 6 | 1 | 7 | 1.9 | CCCn1c(=O)c2nc(-c3cc(C)nn3CC)[nH]c2n(CCC)c1=O | 10.1021/jm051268+ | ||
| CHEMBL379838 | 139719 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 344 | 6 | 1 | 7 | 1.9 | CCCn1c(=O)c2nc(-c3cc(C)nn3CC)[nH]c2n(CCC)c1=O | 10.1021/jm051268+ | ||
| 52947452 | 19280 | 0 | None | 3 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 558 | 9 | 2 | 5 | 4.7 | CS(=O)(=O)c1c(CCc2ccccc2)c2cc(OCC(=O)NCc3ccc(Cl)c(Cl)c3)ccc2[nH]c1=O | 10.1016/j.bmcl.2010.10.030 | ||
| CHEMBL1290543 | 19280 | 0 | None | 3 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 558 | 9 | 2 | 5 | 4.7 | CS(=O)(=O)c1c(CCc2ccccc2)c2cc(OCC(=O)NCc3ccc(Cl)c(Cl)c3)ccc2[nH]c1=O | 10.1016/j.bmcl.2010.10.030 | ||
| 21874755 | 176868 | 1 | None | -2 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 336 | 4 | 2 | 8 | 1.8 | Nc1nc(-c2ccco2)c2nnn(Cc3cccc(C(=O)O)c3)c2n1 | 10.1021/jm800961g | ||
| CHEMBL461656 | 176868 | 1 | None | -2 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 336 | 4 | 2 | 8 | 1.8 | Nc1nc(-c2ccco2)c2nnn(Cc3cccc(C(=O)O)c3)c2n1 | 10.1021/jm800961g | ||
| 380 | 1276 | 54 | None | -17782 | 13 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 335 | 4 | 4 | 9 | -0.2 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NC1CCCC1 | 10.1021/jm9905965 | ||
| 657378 | 1276 | 54 | None | -17782 | 13 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 335 | 4 | 4 | 9 | -0.2 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NC1CCCC1 | 10.1021/jm9905965 | ||
| CHEMBL68738 | 1276 | 54 | None | -17782 | 13 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 335 | 4 | 4 | 9 | -0.2 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NC1CCCC1 | 10.1021/jm9905965 | ||
| 11610747 | 73092 | 0 | None | 53 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 387 | 8 | 2 | 7 | 1.2 | COCCCn1c(=O)n(C)c(=O)c2[nH]c(-c3ccc(OCC(=O)O)cc3)cc21 | 10.1021/jm0506221 | ||
| CHEMBL201133 | 73092 | 0 | None | 53 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 387 | 8 | 2 | 7 | 1.2 | COCCCn1c(=O)n(C)c(=O)c2[nH]c(-c3ccc(OCC(=O)O)cc3)cc21 | 10.1021/jm0506221 | ||
| 11510891 | 73380 | 0 | None | 2 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 459 | 6 | 2 | 8 | 2.1 | COc1cc(-c2cc3c([nH]2)c(=O)n(C)c(=O)n3C)ccc1OCC(=O)Nc1ccc(C#N)cc1 | 10.1021/jm0506221 | ||
| CHEMBL201585 | 73380 | 0 | None | 2 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 459 | 6 | 2 | 8 | 2.1 | COc1cc(-c2cc3c([nH]2)c(=O)n(C)c(=O)n3C)ccc1OCC(=O)Nc1ccc(C#N)cc1 | 10.1021/jm0506221 | ||
| 162673131 | 182973 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 294 | 4 | 2 | 4 | 2.6 | CC1=C(C(=O)OCC(C)C)C(c2cccs2)NC(=O)N1 | 10.1021/acs.jmedchem.0c01431 | ||
| CHEMBL4793530 | 182973 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 294 | 4 | 2 | 4 | 2.6 | CC1=C(C(=O)OCC(C)C)C(c2cccs2)NC(=O)N1 | 10.1021/acs.jmedchem.0c01431 | ||
| 372 | 58 | 103 | None | -2630 | 9 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 301 | 2 | 4 | 9 | -1.3 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(Cl)nc2N | 10.1021/jm900413e | ||
| 8974 | 58 | 103 | None | -2630 | 9 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 301 | 2 | 4 | 9 | -1.3 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(Cl)nc2N | 10.1021/jm900413e | ||
| CHEMBL285819 | 58 | 103 | None | -2630 | 9 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 301 | 2 | 4 | 9 | -1.3 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(Cl)nc2N | 10.1021/jm900413e | ||
| 44410555 | 168989 | 0 | None | -15848 | 4 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 450 | 6 | 4 | 9 | 0.6 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC)nc(C#CCc4ccccc4)nc32)[C@H](O)[C@@H]1O | 10.1016/j.bmcl.2006.01.110 | ||
| CHEMBL439335 | 168989 | 0 | None | -15848 | 4 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 450 | 6 | 4 | 9 | 0.6 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC)nc(C#CCc4ccccc4)nc32)[C@H](O)[C@@H]1O | 10.1016/j.bmcl.2006.01.110 | ||
| 44390545 | 62479 | 0 | None | -5 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 504 | 9 | 1 | 9 | 4.1 | CCCn1c(=O)c2nc(-c3ccc(OCc4nc(-c5ccc(F)cc5)no4)cc3)[nH]c2n(CCC)c1=O | 10.1016/j.bmcl.2004.11.044 | ||
| CHEMBL178172 | 62479 | 0 | None | -5 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 504 | 9 | 1 | 9 | 4.1 | CCCn1c(=O)c2nc(-c3ccc(OCc4nc(-c5ccc(F)cc5)no4)cc3)[nH]c2n(CCC)c1=O | 10.1016/j.bmcl.2004.11.044 | ||
| 44390545 | 62479 | 0 | None | -5 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 504 | 9 | 1 | 9 | 4.1 | CCCn1c(=O)c2nc(-c3ccc(OCc4nc(-c5ccc(F)cc5)no4)cc3)[nH]c2n(CCC)c1=O | 10.1016/j.bmcl.2004.11.044 | ||
| CHEMBL178172 | 62479 | 0 | None | -5 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 504 | 9 | 1 | 9 | 4.1 | CCCn1c(=O)c2nc(-c3ccc(OCc4nc(-c5ccc(F)cc5)no4)cc3)[nH]c2n(CCC)c1=O | 10.1016/j.bmcl.2004.11.044 | ||
| 156011975 | 177289 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 340 | 3 | 1 | 7 | 3.3 | CCOC(=O)C1=C(C)Nc2nc3ccccc3n2C1c1cncs1 | 10.1021/acs.jmedchem.0c00564 | ||
| CHEMBL4636932 | 177289 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 340 | 3 | 1 | 7 | 3.3 | CCOC(=O)C1=C(C)Nc2nc3ccccc3n2C1c1cncs1 | 10.1021/acs.jmedchem.0c00564 | ||
| 10971806 | 56814 | 0 | None | -7 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 418 | 5 | 2 | 9 | 3.4 | CCn1cc2c(nc(NC(=O)Nc3cccc(OC)c3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm0109614 | ||
| CHEMBL164381 | 56814 | 0 | None | -7 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 418 | 5 | 2 | 9 | 3.4 | CCn1cc2c(nc(NC(=O)Nc3cccc(OC)c3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm0109614 | ||
| 145988962 | 167217 | 0 | None | -1 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 635 | 17 | 2 | 10 | 4.2 | CCCCn1c(=O)c2c(nc3n2CCCN3CCc2ccc(OCC(=O)NCCCNC3CCCCC3)cc2)n(CCCC)c1=O | 10.1039/C8MD00070K | ||
| CHEMBL4292514 | 167217 | 0 | None | -1 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 635 | 17 | 2 | 10 | 4.2 | CCCCn1c(=O)c2c(nc3n2CCCN3CCc2ccc(OCC(=O)NCCCNC3CCCCC3)cc2)n(CCCC)c1=O | 10.1039/C8MD00070K | ||
| 14978313 | 102628 | 0 | None | -4 | 5 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 204 | 1 | 1 | 5 | -0.9 | C#CCn1c(=O)c2[nH]cnc2n(C)c1=O | 10.1021/jm0104318 | ||
| CHEMBL304455 | 102628 | 0 | None | -4 | 5 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 204 | 1 | 1 | 5 | -0.9 | C#CCn1c(=O)c2[nH]cnc2n(C)c1=O | 10.1021/jm0104318 | ||
| 2867529 | 51860 | 8 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 236 | 2 | 2 | 4 | 1.1 | COC(=O)C1=C(C)NC(=O)NC1c1ccco1 | 10.1021/acs.jmedchem.0c01431 | ||
| CHEMBL1585743 | 51860 | 8 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 236 | 2 | 2 | 4 | 1.1 | COC(=O)C1=C(C)NC(=O)NC1c1ccco1 | 10.1021/acs.jmedchem.0c01431 | ||
| 2867529 | 51860 | 8 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 236 | 2 | 2 | 4 | 1.1 | COC(=O)C1=C(C)NC(=O)NC1c1ccco1 | 10.1021/ml400185v | ||
| CHEMBL1585743 | 51860 | 8 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 236 | 2 | 2 | 4 | 1.1 | COC(=O)C1=C(C)NC(=O)NC1c1ccco1 | 10.1021/ml400185v | ||
| 44307909 | 103037 | 1 | None | - | 1 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 219 | 1 | 0 | 7 | -1.0 | Cn1cnc2c1c(=O)n(CC#N)c(=O)n2C | 10.1021/jm0104318 | ||
| CHEMBL307326 | 103037 | 1 | None | - | 1 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 219 | 1 | 0 | 7 | -1.0 | Cn1cnc2c1c(=O)n(CC#N)c(=O)n2C | 10.1021/jm0104318 | ||
| CHEMBL5076095 | 214391 | 0 | None | -32 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | None | None | None | CCNc1nc(-c2ccccc2)c(C#N)c(-c2ccc3c(c2)OCO3)n1 | 10.1021/acs.jmedchem.1c01636 | ||||
| 11560108 | 169043 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 387 | 6 | 1 | 8 | 1.2 | CCOC(=O)COc1ccc(-c2cc3c([nH]2)c(=O)n(C)c(=O)n3C)c(OC)c1 | 10.1021/jm0506221 | ||
| CHEMBL439684 | 169043 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 387 | 6 | 1 | 8 | 1.2 | CCOC(=O)COc1ccc(-c2cc3c([nH]2)c(=O)n(C)c(=O)n3C)c(OC)c1 | 10.1021/jm0506221 | ||
| 127038753 | 136632 | 0 | None | -165 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 466 | 7 | 4 | 13 | 0.5 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(N)nc(N[C@H](C)Cc5ccccc5)nc43)[C@H](O)[C@@H]2O)n1 | 10.1039/C5MD00086F | ||
| CHEMBL3740085 | 136632 | 0 | None | -165 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 466 | 7 | 4 | 13 | 0.5 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(N)nc(N[C@H](C)Cc5ccccc5)nc43)[C@H](O)[C@@H]2O)n1 | 10.1039/C5MD00086F | ||
| 11270783 | 1215 | 35 | None | 67 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 446 | 6 | 1 | 7 | 3.2 | CCCn1c(=O)c2nc([nH]c2n(c1=O)CC)c1cnn(c1)Cc1cccc(c1)C(F)(F)F | 10.1021/jm900413e | ||
| 5615 | 1215 | 35 | None | 67 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 446 | 6 | 1 | 7 | 3.2 | CCCn1c(=O)c2nc([nH]c2n(c1=O)CC)c1cnn(c1)Cc1cccc(c1)C(F)(F)F | 10.1021/jm900413e | ||
| CHEMBL260933 | 1215 | 35 | None | 67 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 446 | 6 | 1 | 7 | 3.2 | CCCn1c(=O)c2nc([nH]c2n(c1=O)CC)c1cnn(c1)Cc1cccc(c1)C(F)(F)F | 10.1021/jm900413e | ||
| DB05936 | 1215 | 35 | None | 67 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 446 | 6 | 1 | 7 | 3.2 | CCCn1c(=O)c2nc([nH]c2n(c1=O)CC)c1cnn(c1)Cc1cccc(c1)C(F)(F)F | 10.1021/jm900413e | ||
| 22266771 | 94595 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 417 | 6 | 2 | 8 | 2.4 | CCCn1c(=O)[nH]c2nc(-c3cnn(Cc4cc(-c5ccccc5)on4)c3)[nH]c2c1=O | 10.1016/j.bmcl.2008.01.008 | ||
| CHEMBL252272 | 94595 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 417 | 6 | 2 | 8 | 2.4 | CCCn1c(=O)[nH]c2nc(-c3cnn(Cc4cc(-c5ccccc5)on4)c3)[nH]c2c1=O | 10.1016/j.bmcl.2008.01.008 | ||
| 10296638 | 36739 | 0 | None | -4 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 434 | 4 | 2 | 7 | 4.8 | COc1ccc(NC(=O)Nc2nc3ccc(Cl)cc3c3nc(-c4ccco4)nn23)cc1 | 10.1021/jm001047y | ||
| CHEMBL144979 | 36739 | 0 | None | -4 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 434 | 4 | 2 | 7 | 4.8 | COc1ccc(NC(=O)Nc2nc3ccc(Cl)cc3c3nc(-c4ccco4)nn23)cc1 | 10.1021/jm001047y | ||
| 10296638 | 36739 | 0 | None | -4 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 434 | 4 | 2 | 7 | 4.8 | COc1ccc(NC(=O)Nc2nc3ccc(Cl)cc3c3nc(-c4ccco4)nn23)cc1 | 10.1021/jm0109614 | ||
| CHEMBL144979 | 36739 | 0 | None | -4 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 434 | 4 | 2 | 7 | 4.8 | COc1ccc(NC(=O)Nc2nc3ccc(Cl)cc3c3nc(-c4ccco4)nn23)cc1 | 10.1021/jm0109614 | ||
| 11826924 | 118719 | 0 | None | -1 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 479 | 8 | 1 | 9 | 4.0 | O=C(COc1ccccc1)Nc1nc2nn(CCc3ccccc3)cc2c2nc(-c3ccco3)nn12 | 10.1021/jm030852k | ||
| CHEMBL341777 | 118719 | 0 | None | -1 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 479 | 8 | 1 | 9 | 4.0 | O=C(COc1ccccc1)Nc1nc2nn(CCc3ccccc3)cc2c2nc(-c3ccco3)nn12 | 10.1021/jm030852k | ||
| 136042334 | 71132 | 0 | None | 33 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 490 | 8 | 2 | 9 | 3.2 | CCCn1c(=O)c2[nH]c(-c3cc(OCc4nc5cc(C)c(C)cc5[nH]4)nn3C)nc2n(CCC)c1=O | 10.1021/jm201292w | ||
| CHEMBL1955910 | 71132 | 0 | None | 33 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 490 | 8 | 2 | 9 | 3.2 | CCCn1c(=O)c2[nH]c(-c3cc(OCc4nc5cc(C)c(C)cc5[nH]4)nn3C)nc2n(CCC)c1=O | 10.1021/jm201292w | ||
| 136042344 | 71141 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 551 | 8 | 2 | 9 | 4.5 | CCCn1c(=O)c2[nH]c(-c3cc(OCc4nc5c(Cl)cc(C(F)(F)F)cc5[nH]4)no3)nc2n(CCC)c1=O | 10.1021/jm201292w | ||
| CHEMBL1955920 | 71141 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 551 | 8 | 2 | 9 | 4.5 | CCCn1c(=O)c2[nH]c(-c3cc(OCc4nc5c(Cl)cc(C(F)(F)F)cc5[nH]4)no3)nc2n(CCC)c1=O | 10.1021/jm201292w | ||
| 21958701 | 72963 | 0 | None | 4 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 469 | 8 | 2 | 8 | 2.9 | CCCn1c(=O)c2nc(-c3cnn(CC(=O)Nc4ccccc4Cl)c3)[nH]c2n(CCC)c1=O | 10.1016/j.bmcl.2005.10.002 | ||
| CHEMBL200780 | 72963 | 0 | None | 4 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 469 | 8 | 2 | 8 | 2.9 | CCCn1c(=O)c2nc(-c3cnn(CC(=O)Nc4ccccc4Cl)c3)[nH]c2n(CCC)c1=O | 10.1016/j.bmcl.2005.10.002 | ||
| 11270783 | 1215 | 35 | None | 67 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 446 | 6 | 1 | 7 | 3.2 | CCCn1c(=O)c2nc([nH]c2n(c1=O)CC)c1cnn(c1)Cc1cccc(c1)C(F)(F)F | 10.1021/jm7014815 | ||
| 5615 | 1215 | 35 | None | 67 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 446 | 6 | 1 | 7 | 3.2 | CCCn1c(=O)c2nc([nH]c2n(c1=O)CC)c1cnn(c1)Cc1cccc(c1)C(F)(F)F | 10.1021/jm7014815 | ||
| CHEMBL260933 | 1215 | 35 | None | 67 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 446 | 6 | 1 | 7 | 3.2 | CCCn1c(=O)c2nc([nH]c2n(c1=O)CC)c1cnn(c1)Cc1cccc(c1)C(F)(F)F | 10.1021/jm7014815 | ||
| DB05936 | 1215 | 35 | None | 67 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 446 | 6 | 1 | 7 | 3.2 | CCCn1c(=O)c2nc([nH]c2n(c1=O)CC)c1cnn(c1)Cc1cccc(c1)C(F)(F)F | 10.1021/jm7014815 | ||
| 24827444 | 96315 | 0 | None | 14 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 365 | 5 | 1 | 8 | 1.6 | CCCn1c(=O)c2[nH]c(-c3cnn(-c4cccnc4)c3)nc2n(CC)c1=O | 10.1021/jm7014815 | ||
| CHEMBL261526 | 96315 | 0 | None | 14 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 365 | 5 | 1 | 8 | 1.6 | CCCn1c(=O)c2[nH]c(-c3cnn(-c4cccnc4)c3)nc2n(CC)c1=O | 10.1021/jm7014815 | ||
| 21916394 | 160789 | 0 | None | 10 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 458 | 6 | 1 | 7 | 3.2 | CCn1c(=O)n(CC2CC2)c(=O)c2[nH]c(-c3cnn(Cc4cccc(C(F)(F)F)c4)c3)nc21 | 10.1021/jm7014815 | ||
| CHEMBL411452 | 160789 | 0 | None | 10 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 458 | 6 | 1 | 7 | 3.2 | CCn1c(=O)n(CC2CC2)c(=O)c2[nH]c(-c3cnn(Cc4cccc(C(F)(F)F)c4)c3)nc21 | 10.1021/jm7014815 | ||
| 49797774 | 10590 | 0 | None | 2 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 462 | 7 | 2 | 7 | 3.3 | CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(NS(C)(=O)=O)cc3)sc12 | 10.1016/j.bmcl.2010.05.056 | ||
| CHEMBL1170137 | 10590 | 0 | None | 2 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 462 | 7 | 2 | 7 | 3.3 | CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(NS(C)(=O)=O)cc3)sc12 | 10.1016/j.bmcl.2010.05.056 | ||
| 10237267 | 10770 | 0 | None | 1 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 373 | 4 | 1 | 5 | 3.7 | COc1ccc(N(C)C(C)=O)c2sc(NC(=O)c3ccc(F)cc3)nc12 | 10.1016/j.bmcl.2010.05.056 | ||
| CHEMBL1171898 | 10770 | 0 | None | 1 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 373 | 4 | 1 | 5 | 3.7 | COc1ccc(N(C)C(C)=O)c2sc(NC(=O)c3ccc(F)cc3)nc12 | 10.1016/j.bmcl.2010.05.056 | ||
| 9870396 | 139012 | 0 | None | 17 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 494 | 7 | 1 | 7 | 4.3 | CCCn1c(=O)c2nc(-c3cnn(Cc4cc(C(F)(F)F)ccc4Cl)c3)[nH]c2n(CCC)c1=O | 10.1021/jm051268+ | ||
| CHEMBL378598 | 139012 | 0 | None | 17 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 494 | 7 | 1 | 7 | 4.3 | CCCn1c(=O)c2nc(-c3cnn(Cc4cc(C(F)(F)F)ccc4Cl)c3)[nH]c2n(CCC)c1=O | 10.1021/jm051268+ | ||
| 11654461 | 139487 | 0 | None | 1 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 410 | 7 | 1 | 7 | 2.8 | CCCn1c(=O)c2nc(-c3cnn(Cc4ccc(F)cc4)c3)[nH]c2n(CCC)c1=O | 10.1021/jm051268+ | ||
| CHEMBL379474 | 139487 | 0 | None | 1 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 410 | 7 | 1 | 7 | 2.8 | CCCn1c(=O)c2nc(-c3cnn(Cc4ccc(F)cc4)c3)[nH]c2n(CCC)c1=O | 10.1021/jm051268+ | ||
| 11495984 | 72720 | 0 | None | 9 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 444 | 5 | 2 | 6 | 2.4 | Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NC4CCc5ccccc54)cc3)cc2n(C)c1=O | 10.1021/jm0506221 | ||
| CHEMBL199884 | 72720 | 0 | None | 9 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 444 | 5 | 2 | 6 | 2.4 | Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NC4CCc5ccccc54)cc3)cc2n(C)c1=O | 10.1021/jm0506221 | ||
| 11591823 | 74784 | 0 | None | 3 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 528 | 9 | 2 | 6 | 5.3 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(Cl)cc4)cc3)c(Cl)c2n(CCC)c1=O | 10.1021/jm0506221 | ||
| CHEMBL203148 | 74784 | 0 | None | 3 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 528 | 9 | 2 | 6 | 5.3 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(Cl)cc4)cc3)c(Cl)c2n(CCC)c1=O | 10.1021/jm0506221 | ||
| 10164201 | 123755 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 504 | 9 | 1 | 9 | 4.1 | CCCn1c(=O)c2nc(-c3ccc(OCc4noc(-c5ccc(F)cc5)n4)cc3)[nH]c2n(CCC)c1=O | 10.1016/j.bmcl.2004.11.044 | ||
| CHEMBL362268 | 123755 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 504 | 9 | 1 | 9 | 4.1 | CCCn1c(=O)c2nc(-c3ccc(OCc4noc(-c5ccc(F)cc5)n4)cc3)[nH]c2n(CCC)c1=O | 10.1016/j.bmcl.2004.11.044 | ||
| 743242 | 172030 | 12 | None | -38 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 261 | 2 | 1 | 4 | 3.5 | N#Cc1c(-c2ccco2)cc(-c2ccccc2)nc1N | 10.1021/jm701594y | ||
| CHEMBL447192 | 172030 | 12 | None | -38 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 261 | 2 | 1 | 4 | 3.5 | N#Cc1c(-c2ccco2)cc(-c2ccccc2)nc1N | 10.1021/jm701594y | ||
| 853426 | 40949 | 11 | None | -30 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 264 | 2 | 2 | 5 | 2.5 | Nc1nc(-c2ccccc2)nc(-c2ccccc2O)n1 | 10.1021/jm3003069 | ||
| CHEMBL1487093 | 40949 | 11 | None | -30 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 264 | 2 | 2 | 5 | 2.5 | Nc1nc(-c2ccccc2)nc(-c2ccccc2O)n1 | 10.1021/jm3003069 | ||
| 135428628 | 141438 | 0 | None | -218 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 357 | 3 | 2 | 4 | 2.5 | CCCN1C(=O)N2C[C@@H](C)N=C2c2[nH]c(C34CCC(O)(CC3)CC4)nc21 | 10.1021/jm060539t | ||
| CHEMBL384279 | 141438 | 0 | None | -218 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 357 | 3 | 2 | 4 | 2.5 | CCCN1C(=O)N2C[C@@H](C)N=C2c2[nH]c(C34CCC(O)(CC3)CC4)nc21 | 10.1021/jm060539t | ||
| 9929470 | 110446 | 0 | None | -44 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 374 | 3 | 2 | 8 | 2.9 | Cn1cc2c(nc(NC(=O)Nc3ccccc3)n3nc(-c4ccco4)nc23)n1 | 10.1021/acs.jmedchem.5b00551 | ||
| CHEMBL324735 | 110446 | 0 | None | -44 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 374 | 3 | 2 | 8 | 2.9 | Cn1cc2c(nc(NC(=O)Nc3ccccc3)n3nc(-c4ccco4)nc23)n1 | 10.1021/acs.jmedchem.5b00551 | ||
| 9929470 | 110446 | 0 | None | -44 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 374 | 3 | 2 | 8 | 2.9 | Cn1cc2c(nc(NC(=O)Nc3ccccc3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm020974x | ||
| CHEMBL324735 | 110446 | 0 | None | -44 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 374 | 3 | 2 | 8 | 2.9 | Cn1cc2c(nc(NC(=O)Nc3ccccc3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm020974x | ||
| 9929470 | 110446 | 0 | None | -44 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 374 | 3 | 2 | 8 | 2.9 | Cn1cc2c(nc(NC(=O)Nc3ccccc3)n3nc(-c4ccco4)nc23)n1 | 10.1016/j.ejmech.2015.12.019 | ||
| CHEMBL324735 | 110446 | 0 | None | -44 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 374 | 3 | 2 | 8 | 2.9 | Cn1cc2c(nc(NC(=O)Nc3ccccc3)n3nc(-c4ccco4)nc23)n1 | 10.1016/j.ejmech.2015.12.019 | ||
| 9929470 | 110446 | 0 | None | -44 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 374 | 3 | 2 | 8 | 2.9 | Cn1cc2c(nc(NC(=O)Nc3ccccc3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm0109614 | ||
| CHEMBL324735 | 110446 | 0 | None | -44 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 374 | 3 | 2 | 8 | 2.9 | Cn1cc2c(nc(NC(=O)Nc3ccccc3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm0109614 | ||
| 9929470 | 110446 | 0 | None | -44 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 374 | 3 | 2 | 8 | 2.9 | Cn1cc2c(nc(NC(=O)Nc3ccccc3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm030852k | ||
| CHEMBL324735 | 110446 | 0 | None | -44 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 374 | 3 | 2 | 8 | 2.9 | Cn1cc2c(nc(NC(=O)Nc3ccccc3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm030852k | ||
| 135874432 | 95769 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 517 | 8 | 2 | 8 | 3.8 | CCCn1c(=O)c2[nH]c(-c3nn(CC(=O)Nc4ccc(Cl)cc4)c(C)c3Cl)nc2n(CCC)c1=O | 10.1016/j.bmc.2007.11.058 | ||
| CHEMBL258755 | 95769 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 517 | 8 | 2 | 8 | 3.8 | CCCn1c(=O)c2[nH]c(-c3nn(CC(=O)Nc4ccc(Cl)cc4)c(C)c3Cl)nc2n(CCC)c1=O | 10.1016/j.bmc.2007.11.058 | ||
| 11058550 | 120105 | 0 | None | -10 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 404 | 4 | 2 | 9 | 2.9 | COc1ccccc1NC(=O)Nc1nc2nn(C)cc2c2nc(-c3ccco3)nn12 | 10.1021/jm0109614 | ||
| CHEMBL351211 | 120105 | 0 | None | -10 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 404 | 4 | 2 | 9 | 2.9 | COc1ccccc1NC(=O)Nc1nc2nn(C)cc2c2nc(-c3ccco3)nn12 | 10.1021/jm0109614 | ||
| 15578103 | 176762 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 285 | 1 | 1 | 6 | 1.3 | Cc1ccc(-c2cc3c(c(=O)n(C)c(=O)n3C)n2O)cc1 | 10.1016/j.bmc.2008.09.067 | ||
| CHEMBL460617 | 176762 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 285 | 1 | 1 | 6 | 1.3 | Cc1ccc(-c2cc3c(c(=O)n(C)c(=O)n3C)n2O)cc1 | 10.1016/j.bmc.2008.09.067 | ||
| 71683092 | 89909 | 0 | None | -3 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 340 | 5 | 1 | 5 | 3.2 | COc1cccc(CCC(=O)Nc2nc3ccccc3c(=O)s2)c1 | 10.1021/jm400336x | ||
| CHEMBL2380386 | 89909 | 0 | None | -3 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 340 | 5 | 1 | 5 | 3.2 | COc1cccc(CCC(=O)Nc2nc3ccccc3c(=O)s2)c1 | 10.1021/jm400336x | ||
| 21874687 | 172617 | 0 | None | -15 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 293 | 3 | 1 | 8 | 1.5 | Nc1nc(-c2ccco2)c2nnn(Cc3cccnc3)c2n1 | 10.1021/jm800961g | ||
| CHEMBL449596 | 172617 | 0 | None | -15 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 293 | 3 | 1 | 8 | 1.5 | Nc1nc(-c2ccco2)c2nnn(Cc3cccnc3)c2n1 | 10.1021/jm800961g | ||
| 11026434 | 57462 | 0 | None | -10 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 433 | 5 | 2 | 10 | 3.3 | CCn1cc2c(nc(NC(=O)Nc3ccc([N+](=O)[O-])cc3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm0109614 | ||
| CHEMBL165910 | 57462 | 0 | None | -10 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 433 | 5 | 2 | 10 | 3.3 | CCn1cc2c(nc(NC(=O)Nc3ccc([N+](=O)[O-])cc3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm0109614 | ||
| 10601859 | 119124 | 0 | None | -1 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 512 | 7 | 2 | 8 | 5.7 | O=C(Nc1cccc(Cl)c1)Nc1nc2nn(CCCc3ccccc3)cc2c2nc(-c3ccco3)nn12 | 10.1021/jm001047y | ||
| CHEMBL342906 | 119124 | 0 | None | -1 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 512 | 7 | 2 | 8 | 5.7 | O=C(Nc1cccc(Cl)c1)Nc1nc2nn(CCCc3ccccc3)cc2c2nc(-c3ccco3)nn12 | 10.1021/jm001047y | ||
| 10453097 | 197870 | 0 | None | -20 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 392 | 3 | 2 | 8 | 3.1 | Cn1cc2c(nc(NC(=O)Nc3ccc(F)cc3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm0109614 | ||
| CHEMBL572765 | 197870 | 0 | None | -20 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 392 | 3 | 2 | 8 | 3.1 | Cn1cc2c(nc(NC(=O)Nc3ccc(F)cc3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm0109614 | ||
| 21874676 | 189439 | 0 | None | -112 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 328 | 3 | 1 | 7 | 2.4 | Nc1nc(-c2ccco2)c2nnn(Cc3ccc(F)cc3F)c2n1 | 10.1021/jm800961g | ||
| CHEMBL513661 | 189439 | 0 | None | -112 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 328 | 3 | 1 | 7 | 2.4 | Nc1nc(-c2ccco2)c2nnn(Cc3ccc(F)cc3F)c2n1 | 10.1021/jm800961g | ||
| 11157262 | 123614 | 0 | None | -446 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 560 | 8 | 5 | 14 | 0.2 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(N)nc(N[C@H](CO)Cc5ccc(Br)cc5)nc43)[C@H](O)[C@@H]2O)n1 | 10.1021/jm031143+ | ||
| CHEMBL361925 | 123614 | 0 | None | -446 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 560 | 8 | 5 | 14 | 0.2 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(N)nc(N[C@H](CO)Cc5ccc(Br)cc5)nc43)[C@H](O)[C@@H]2O)n1 | 10.1021/jm031143+ | ||
| 9995603 | 100299 | 0 | None | -17 | 5 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 311 | 5 | 1 | 4 | 3.0 | CCCn1c(=O)c2[nH]c(-c3ccccc3)cc2n(CCC)c1=O | 10.1016/j.bmc.2008.09.067 | ||
| CHEMBL289413 | 100299 | 0 | None | -17 | 5 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 311 | 5 | 1 | 4 | 3.0 | CCCn1c(=O)c2[nH]c(-c3ccccc3)cc2n(CCC)c1=O | 10.1016/j.bmc.2008.09.067 | ||
| 11213889 | 206434 | 0 | None | -3 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 485 | 8 | 2 | 9 | 2.6 | CCCCn1c(=O)[nH]c2[nH]c(-c3ccc(S(=O)(=O)Oc4cccc([N+](=O)[O-])c4)cc3)nc2c1=O | 10.1021/jm0310030 | ||
| CHEMBL8810 | 206434 | 0 | None | -3 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 485 | 8 | 2 | 9 | 2.6 | CCCCn1c(=O)[nH]c2[nH]c(-c3ccc(S(=O)(=O)Oc4cccc([N+](=O)[O-])c4)cc3)nc2c1=O | 10.1021/jm0310030 | ||
| 10961304 | 75983 | 0 | None | -2 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 447 | 6 | 3 | 10 | 3.4 | CCNc1c2c(nc(NC(=O)Nc3ccc(OC)cc3)n3nc(-c4ccco4)nc23)nn1C | 10.1021/jm021023m | ||
| CHEMBL20555 | 75983 | 0 | None | -2 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 447 | 6 | 3 | 10 | 3.4 | CCNc1c2c(nc(NC(=O)Nc3ccc(OC)cc3)n3nc(-c4ccco4)nc23)nn1C | 10.1021/jm021023m | ||
| CHEMBL554955 | 75983 | 0 | None | -2 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 447 | 6 | 3 | 10 | 3.4 | CCNc1c2c(nc(NC(=O)Nc3ccc(OC)cc3)n3nc(-c4ccco4)nc23)nn1C | 10.1021/jm021023m | ||
| 137642862 | 158435 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 354 | 6 | 1 | 7 | 1.6 | CC#CCn1cc(-c2nc3c([nH]2)c(=O)n(CCC)c(=O)n3CCC)cn1 | 10.1016/j.ejmech.2017.04.014 | ||
| CHEMBL4090649 | 158435 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 354 | 6 | 1 | 7 | 1.6 | CC#CCn1cc(-c2nc3c([nH]2)c(=O)n(CCC)c(=O)n3CCC)cn1 | 10.1016/j.ejmech.2017.04.014 | ||
| 137661874 | 159278 | 0 | None | -60 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 405 | 4 | 2 | 7 | 3.0 | COc1ccc(N2CCOCC2)c2sc(NC(=O)C3(C)CCC(O)CC3)nc12 | 10.1021/acs.jmedchem.6b01584 | ||
| CHEMBL4099688 | 159278 | 0 | None | -60 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 405 | 4 | 2 | 7 | 3.0 | COc1ccc(N2CCOCC2)c2sc(NC(=O)C3(C)CCC(O)CC3)nc12 | 10.1021/acs.jmedchem.6b01584 | ||
| 66892501 | 156686 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 500 | 8 | 1 | 9 | 2.5 | CCCn1c(=O)c2[nH]c(-c3cnn(CC4CC(=O)N(c5ccc(C#N)cc5)C4)c3)nc2n(CCC)c1=O | 10.1016/j.ejmech.2016.11.007 | ||
| CHEMBL4070150 | 156686 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 500 | 8 | 1 | 9 | 2.5 | CCCn1c(=O)c2[nH]c(-c3cnn(CC4CC(=O)N(c5ccc(C#N)cc5)C4)c3)nc2n(CCC)c1=O | 10.1016/j.ejmech.2016.11.007 | ||
| 10310768 | 94536 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 466 | 7 | 2 | 9 | 2.8 | CCCCn1c(=O)[nH]c2nc(-c3cnn(Cc4noc(-c5ccc(Cl)cc5)n4)c3)[nH]c2c1=O | 10.1016/j.bmcl.2008.01.008 | ||
| CHEMBL251878 | 94536 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 466 | 7 | 2 | 9 | 2.8 | CCCCn1c(=O)[nH]c2nc(-c3cnn(Cc4noc(-c5ccc(Cl)cc5)n4)c3)[nH]c2c1=O | 10.1016/j.bmcl.2008.01.008 | ||
| 2690 | 900 | 66 | None | -30 | 9 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 285 | 1 | 1 | 6 | 2.8 | Clc1ccc2c(c1)c1nc(nn1c(n2)N)c1ccco1 | 10.1021/jm001047y | ||
| 384 | 900 | 66 | None | -30 | 9 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 285 | 1 | 1 | 6 | 2.8 | Clc1ccc2c(c1)c1nc(nn1c(n2)N)c1ccco1 | 10.1021/jm001047y | ||
| CHEMBL16687 | 900 | 66 | None | -30 | 9 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 285 | 1 | 1 | 6 | 2.8 | Clc1ccc2c(c1)c1nc(nn1c(n2)N)c1ccco1 | 10.1021/jm001047y | ||
| 11952560 | 6305 | 1 | None | 20 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 263 | 2 | 1 | 5 | 2.7 | c1coc(-c2nc3[nH]ncc3cc2-c2ccncn2)c1 | 10.1016/j.bmcl.2010.01.077 | ||
| CHEMBL1082002 | 6305 | 1 | None | 20 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 263 | 2 | 1 | 5 | 2.7 | c1coc(-c2nc3[nH]ncc3cc2-c2ccncn2)c1 | 10.1016/j.bmcl.2010.01.077 | ||
| 44588518 | 174143 | 0 | None | 4 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 317 | 5 | 2 | 6 | 2.3 | CCCn1c(=O)c2[nH]c(-c3ccco3)c(O)c2n(CCC)c1=O | 10.1016/j.bmc.2008.09.067 | ||
| CHEMBL454700 | 174143 | 0 | None | 4 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 317 | 5 | 2 | 6 | 2.3 | CCCn1c(=O)c2[nH]c(-c3ccco3)c(O)c2n(CCC)c1=O | 10.1016/j.bmc.2008.09.067 | ||
| 136042338 | 71135 | 0 | None | 12 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 449 | 8 | 2 | 9 | 2.8 | CCCn1c(=O)c2[nH]c(-c3cc(OCc4nc5ccccc5[nH]4)no3)nc2n(CCC)c1=O | 10.1021/jm201292w | ||
| CHEMBL1955914 | 71135 | 0 | None | 12 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 449 | 8 | 2 | 9 | 2.8 | CCCn1c(=O)c2[nH]c(-c3cc(OCc4nc5ccccc5[nH]4)no3)nc2n(CCC)c1=O | 10.1021/jm201292w | ||
| 49797750 | 10721 | 0 | None | 3 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 437 | 6 | 1 | 9 | 2.9 | CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(-n4cnnn4)cc3)sc12 | 10.1016/j.bmcl.2010.05.056 | ||
| CHEMBL1171349 | 10721 | 0 | None | 3 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 437 | 6 | 1 | 9 | 2.9 | CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(-n4cnnn4)cc3)sc12 | 10.1016/j.bmcl.2010.05.056 | ||
| 21874571 | 189839 | 0 | None | -6 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 325 | 3 | 2 | 8 | 1.8 | Nc1ccc(Cn2nnc3c(-c4ccco4)nc(N)nc32)c(F)c1 | 10.1021/jm800961g | ||
| CHEMBL516800 | 189839 | 0 | None | -6 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 325 | 3 | 2 | 8 | 1.8 | Nc1ccc(Cn2nnc3c(-c4ccco4)nc(N)nc32)c(F)c1 | 10.1021/jm800961g | ||
| 156011786 | 177305 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 324 | 3 | 1 | 7 | 2.9 | CCOC(=O)C1=C(C)Nc2nc3ccccc3n2C1c1cnoc1 | 10.1021/acs.jmedchem.0c00564 | ||
| CHEMBL4637204 | 177305 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 324 | 3 | 1 | 7 | 2.9 | CCOC(=O)C1=C(C)Nc2nc3ccccc3n2C1c1cnoc1 | 10.1021/acs.jmedchem.0c00564 | ||
| 2874872 | 49644 | 14 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 266 | 3 | 2 | 4 | 1.9 | CCOC(=O)C1=C(C)NC(=O)NC1c1ccsc1 | 10.1021/acs.jmedchem.5b01586 | ||
| CHEMBL1566489 | 49644 | 14 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 266 | 3 | 2 | 4 | 1.9 | CCOC(=O)C1=C(C)NC(=O)NC1c1ccsc1 | 10.1021/acs.jmedchem.5b01586 | ||
| 2874872 | 49644 | 14 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 266 | 3 | 2 | 4 | 1.9 | CCOC(=O)C1=C(C)NC(=O)NC1c1ccsc1 | 10.1021/acs.jmedchem.7b00138 | ||
| CHEMBL1566489 | 49644 | 14 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 266 | 3 | 2 | 4 | 1.9 | CCOC(=O)C1=C(C)NC(=O)NC1c1ccsc1 | 10.1021/acs.jmedchem.7b00138 | ||
| 2874872 | 49644 | 14 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 266 | 3 | 2 | 4 | 1.9 | CCOC(=O)C1=C(C)NC(=O)NC1c1ccsc1 | 10.1021/acs.jmedchem.0c01431 | ||
| CHEMBL1566489 | 49644 | 14 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 266 | 3 | 2 | 4 | 1.9 | CCOC(=O)C1=C(C)NC(=O)NC1c1ccsc1 | 10.1021/acs.jmedchem.0c01431 | ||
| 2874872 | 49644 | 14 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 266 | 3 | 2 | 4 | 1.9 | CCOC(=O)C1=C(C)NC(=O)NC1c1ccsc1 | 10.1021/ml400185v | ||
| CHEMBL1566489 | 49644 | 14 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 266 | 3 | 2 | 4 | 1.9 | CCOC(=O)C1=C(C)NC(=O)NC1c1ccsc1 | 10.1021/ml400185v | ||
| 2874872 | 49644 | 14 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 266 | 3 | 2 | 4 | 1.9 | CCOC(=O)C1=C(C)NC(=O)NC1c1ccsc1 | 10.1021/acs.jmedchem.9b01340 | ||
| CHEMBL1566489 | 49644 | 14 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 266 | 3 | 2 | 4 | 1.9 | CCOC(=O)C1=C(C)NC(=O)NC1c1ccsc1 | 10.1021/acs.jmedchem.9b01340 | ||
| 168287172 | 191626 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 369 | 6 | 1 | 7 | 3.1 | CCCn1c(=O)c2[nH]c(-c3ccc(N=C=S)cc3)nc2n(CCC)c1=O | 10.1039/d2md00132b | ||
| CHEMBL5196082 | 191626 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 369 | 6 | 1 | 7 | 3.1 | CCCn1c(=O)c2[nH]c(-c3ccc(N=C=S)cc3)nc2n(CCC)c1=O | 10.1039/d2md00132b | ||
| 22282339 | 83075 | 3 | None | -331 | 15 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 386 | 4 | 1 | 5 | 5.1 | Cc1cc(C)cc(-c2nc(NC(=O)c3cccnc3)sc2-c2ccncc2)c1 | 10.1021/acsmedchemlett.1c00685 | ||
| CHEMBL2181976 | 83075 | 3 | None | -331 | 15 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 386 | 4 | 1 | 5 | 5.1 | Cc1cc(C)cc(-c2nc(NC(=O)c3cccnc3)sc2-c2ccncc2)c1 | 10.1021/acsmedchemlett.1c00685 | ||
| CHEMBL5084951 | 83075 | 3 | None | -331 | 15 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 386 | 4 | 1 | 5 | 5.1 | Cc1cc(C)cc(-c2nc(NC(=O)c3cccnc3)sc2-c2ccncc2)c1 | 10.1021/acsmedchemlett.1c00685 | ||
| 145960933 | 161538 | 0 | None | -2 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 271 | 2 | 2 | 2 | 3.5 | O=C(Nc1nc2cccc(Cl)c2[nH]1)c1ccccc1 | 10.1021/acs.jmedchem.8b00204 | ||
| CHEMBL4128848 | 161538 | 0 | None | -2 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 271 | 2 | 2 | 2 | 3.5 | O=C(Nc1nc2cccc(Cl)c2[nH]1)c1ccccc1 | 10.1021/acs.jmedchem.8b00204 | ||
| 11493754 | 168737 | 0 | None | 1 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 336 | 3 | 1 | 7 | 0.9 | Cn1c(=O)c2nc(-c3cnn(Cc4ccccc4)c3)[nH]c2n(C)c1=O | 10.1021/jm051268+ | ||
| CHEMBL437301 | 168737 | 0 | None | 1 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 336 | 3 | 1 | 7 | 0.9 | Cn1c(=O)c2nc(-c3cnn(Cc4ccccc4)c3)[nH]c2n(C)c1=O | 10.1021/jm051268+ | ||
| 2519 | 776 | 86 | None | -1 | 12 | Mouse | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | 10.1021/acs.jmedchem.7b01627 | ||
| 407 | 776 | 86 | None | -1 | 12 | Mouse | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | 10.1021/acs.jmedchem.7b01627 | ||
| 463 | 776 | 86 | None | -1 | 12 | Mouse | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | 10.1021/acs.jmedchem.7b01627 | ||
| CHEMBL113 | 776 | 86 | None | -1 | 12 | Mouse | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | 10.1021/acs.jmedchem.7b01627 | ||
| DB00201 | 776 | 86 | None | -1 | 12 | Mouse | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | 10.1021/acs.jmedchem.7b01627 | ||
| 44459944 | 94816 | 6 | None | 1 | 3 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 266 | 3 | 0 | 8 | -1.0 | CC(=O)OCCn1cnc2c1c(=O)n(C)c(=O)n2C | 10.1021/jm0104318 | ||
| CHEMBL25373 | 94816 | 6 | None | 1 | 3 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 266 | 3 | 0 | 8 | -1.0 | CC(=O)OCCn1cnc2c1c(=O)n(C)c(=O)n2C | 10.1021/jm0104318 | ||
| 11822168 | 203633 | 0 | None | 3 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 284 | 4 | 1 | 5 | 1.1 | Cn1c(=O)n(CCCc2ccccc2)c(=O)c2[nH]cnc21 | 10.1021/jm0104318 | ||
| CHEMBL67313 | 203633 | 0 | None | 3 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 284 | 4 | 1 | 5 | 1.1 | Cn1c(=O)n(CCCc2ccccc2)c(=O)c2[nH]cnc21 | 10.1021/jm0104318 | ||
| 11702501 | 71471 | 0 | None | -501 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 320 | 4 | 1 | 8 | 1.3 | Cn1c(-n2nccn2)nc2c(N)nc(CCc3ccccc3)nc21 | 10.1021/jm058018d | ||
| CHEMBL196259 | 71471 | 0 | None | -501 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 320 | 4 | 1 | 8 | 1.3 | Cn1c(-n2nccn2)nc2c(N)nc(CCc3ccccc3)nc21 | 10.1021/jm058018d | ||
| 155556575 | 174476 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 318 | 3 | 2 | 4 | 2.4 | CC1=C(C(=O)OC(C)C(F)(F)F)C(c2ccoc2)NC(=O)N1 | 10.1021/acs.jmedchem.9b01340 | ||
| CHEMBL4554893 | 174476 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 318 | 3 | 2 | 4 | 2.4 | CC1=C(C(=O)OC(C)C(F)(F)F)C(c2ccoc2)NC(=O)N1 | 10.1021/acs.jmedchem.9b01340 | ||
| 135443302 | 116383 | 0 | None | -1 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 331 | 5 | 2 | 8 | 0.7 | CCCn1c(=O)c2nc(-c3cc(N)nn3C)[nH]c2n(CCC)c1=O | 10.1021/jm0309654 | ||
| CHEMBL33602 | 116383 | 0 | None | -1 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 331 | 5 | 2 | 8 | 0.7 | CCCn1c(=O)c2nc(-c3cc(N)nn3C)[nH]c2n(CCC)c1=O | 10.1021/jm0309654 | ||
| 11826577 | 57266 | 0 | None | -7 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 456 | 4 | 2 | 8 | 4.4 | CCn1cc2c(nc(NC(=O)Nc3ccc(C(F)(F)F)cc3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm0109614 | ||
| CHEMBL165044 | 57266 | 0 | None | -7 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 456 | 4 | 2 | 8 | 4.4 | CCn1cc2c(nc(NC(=O)Nc3ccc(C(F)(F)F)cc3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm0109614 | ||
| 99619 | 203448 | 23 | None | - | 1 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 223 | 2 | 1 | 7 | -1.6 | Cn1c(=O)c2c(ncn2CCN)n(C)c1=O | 10.1021/jm0104318 | ||
| CHEMBL66011 | 203448 | 23 | None | - | 1 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 223 | 2 | 1 | 7 | -1.6 | Cn1c(=O)c2c(ncn2CCN)n(C)c1=O | 10.1021/jm0104318 | ||
| 22375 | 203597 | 30 | None | - | 1 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 238 | 2 | 1 | 7 | -1.5 | Cn1cnc2c1c(=O)n(CC(=O)O)c(=O)n2C | 10.1021/jm0104318 | ||
| CHEMBL67109 | 203597 | 30 | None | - | 1 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 238 | 2 | 1 | 7 | -1.5 | Cn1cnc2c1c(=O)n(CC(=O)O)c(=O)n2C | 10.1021/jm0104318 | ||
| 3286 | 3187 | 31 | None | 4 | 9 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 350 | 4 | 3 | 6 | 0.7 | CCCn1c(=O)[nH]c2c(c1=O)nc([nH]2)c1ccc(cc1)S(=O)(=O)O | 10.1021/jm900413e | ||
| 5311479 | 3187 | 31 | None | 4 | 9 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 350 | 4 | 3 | 6 | 0.7 | CCCn1c(=O)[nH]c2c(c1=O)nc([nH]2)c1ccc(cc1)S(=O)(=O)O | 10.1021/jm900413e | ||
| CHEMBL8565 | 3187 | 31 | None | 4 | 9 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 350 | 4 | 3 | 6 | 0.7 | CCCn1c(=O)[nH]c2c(c1=O)nc([nH]2)c1ccc(cc1)S(=O)(=O)O | 10.1021/jm900413e | ||
| 155550704 | 174282 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 318 | 3 | 2 | 4 | 2.4 | CC(C)OC(=O)C1=C(C(F)(F)F)NC(=O)NC1c1ccco1 | 10.1021/acs.jmedchem.9b01340 | ||
| CHEMBL4550201 | 174282 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 318 | 3 | 2 | 4 | 2.4 | CC(C)OC(=O)C1=C(C(F)(F)F)NC(=O)NC1c1ccco1 | 10.1021/acs.jmedchem.9b01340 | ||
| 44410556 | 140524 | 0 | None | -10715 | 4 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 404 | 5 | 5 | 10 | -1.3 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC)nc(C#C[C@H](C)O)nc32)[C@H](O)[C@@H]1O | 10.1016/j.bmcl.2006.01.110 | ||
| CHEMBL381108 | 140524 | 0 | None | -10715 | 4 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 404 | 5 | 5 | 10 | -1.3 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC)nc(C#C[C@H](C)O)nc32)[C@H](O)[C@@H]1O | 10.1016/j.bmcl.2006.01.110 | ||
| 44452493 | 96444 | 0 | None | -17 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 307 | 4 | 0 | 6 | 3.4 | CCN(CC)c1nc2ccccc2n2nc(-c3ccco3)nc12 | 10.1016/j.bmc.2007.10.103 | ||
| CHEMBL262353 | 96444 | 0 | None | -17 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 307 | 4 | 0 | 6 | 3.4 | CCN(CC)c1nc2ccccc2n2nc(-c3ccco3)nc12 | 10.1016/j.bmc.2007.10.103 | ||
| 135416058 | 490 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 530 | 8 | 1 | 11 | -0.5 | C=CCn1c2=N/C(=c\3/cc([nH]n3C)OCC(=O)N3CCN(CC3)c3ccccc3)/N=c2c(=O)n(c1=O)CC=C | 10.1021/jm0309654 | ||
| 442 | 490 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 530 | 8 | 1 | 11 | -0.5 | C=CCn1c2=N/C(=c\3/cc([nH]n3C)OCC(=O)N3CCN(CC3)c3ccccc3)/N=c2c(=O)n(c1=O)CC=C | 10.1021/jm0309654 | ||
| CHEMBL2113342 | 490 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 530 | 8 | 1 | 11 | -0.5 | C=CCn1c2=N/C(=c\3/cc([nH]n3C)OCC(=O)N3CCN(CC3)c3ccccc3)/N=c2c(=O)n(c1=O)CC=C | 10.1021/jm0309654 | ||
| 135416058 | 490 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 530 | 8 | 1 | 11 | -0.5 | C=CCn1c2=N/C(=c\3/cc([nH]n3C)OCC(=O)N3CCN(CC3)c3ccccc3)/N=c2c(=O)n(c1=O)CC=C | 10.1021/jm0309654 | ||
| 442 | 490 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 530 | 8 | 1 | 11 | -0.5 | C=CCn1c2=N/C(=c\3/cc([nH]n3C)OCC(=O)N3CCN(CC3)c3ccccc3)/N=c2c(=O)n(c1=O)CC=C | 10.1021/jm0309654 | ||
| CHEMBL2113342 | 490 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 530 | 8 | 1 | 11 | -0.5 | C=CCn1c2=N/C(=c\3/cc([nH]n3C)OCC(=O)N3CCN(CC3)c3ccccc3)/N=c2c(=O)n(c1=O)CC=C | 10.1021/jm0309654 | ||
| 16071896 | 57995 | 44 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 335 | 4 | 1 | 5 | 3.1 | O=C(Nc1cnc(-c2ccncc2F)c(-c2cccnc2)n1)C1CC1 | 10.1021/jm201292w | ||
| CHEMBL1672627 | 57995 | 44 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 335 | 4 | 1 | 5 | 3.1 | O=C(Nc1cnc(-c2ccncc2F)c(-c2cccnc2)n1)C1CC1 | 10.1021/jm201292w | ||
| 10874051 | 84221 | 0 | None | -7 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 450 | 5 | 2 | 10 | 3.6 | COc1ccc(NC(=O)Nc2nc3nn(C)c(SC)c3c3nc(-c4ccco4)nn23)cc1 | 10.1021/jm021023m | ||
| CHEMBL22113 | 84221 | 0 | None | -7 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 450 | 5 | 2 | 10 | 3.6 | COc1ccc(NC(=O)Nc2nc3nn(C)c(SC)c3c3nc(-c4ccco4)nn23)cc1 | 10.1021/jm021023m | ||
| 66894080 | 158106 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 479 | 7 | 1 | 8 | 2.4 | CCCn1c(=O)c2[nH]c(-c3cnn(CC4CC(=O)N(c5cccc(F)c5)C4)c3)nc2n(CC)c1=O | 10.1016/j.ejmech.2016.11.007 | ||
| CHEMBL4087056 | 158106 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 479 | 7 | 1 | 8 | 2.4 | CCCn1c(=O)c2[nH]c(-c3cnn(CC4CC(=O)N(c5cccc(F)c5)C4)c3)nc2n(CC)c1=O | 10.1016/j.ejmech.2016.11.007 | ||
| 21958761 | 169395 | 0 | None | 66 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 382 | 5 | 2 | 6 | 2.1 | CC(C)Cn1c(=O)[nH]c2nc(-c3cnn(Cc4cccc(F)c4)c3)[nH]c2c1=O | 10.1016/j.bmcl.2008.01.008 | ||
| CHEMBL442434 | 169395 | 0 | None | 66 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 382 | 5 | 2 | 6 | 2.1 | CC(C)Cn1c(=O)[nH]c2nc(-c3cnn(Cc4cccc(F)c4)c3)[nH]c2c1=O | 10.1016/j.bmcl.2008.01.008 | ||
| 11659696 | 85227 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 317 | 4 | 1 | 8 | 2.7 | c1coc(-c2nc(Nc3cncnc3)ncc2-c2ccncn2)c1 | 10.1021/jm061333v | ||
| CHEMBL225972 | 85227 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 317 | 4 | 1 | 8 | 2.7 | c1coc(-c2nc(Nc3cncnc3)ncc2-c2ccncn2)c1 | 10.1021/jm061333v | ||
| 16071896 | 57995 | 44 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 335 | 4 | 1 | 5 | 3.1 | O=C(Nc1cnc(-c2ccncc2F)c(-c2cccnc2)n1)C1CC1 | 10.1021/ml100249e | ||
| CHEMBL1672627 | 57995 | 44 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 335 | 4 | 1 | 5 | 3.1 | O=C(Nc1cnc(-c2ccncc2F)c(-c2cccnc2)n1)C1CC1 | 10.1021/ml100249e | ||
| 44588474 | 175317 | 0 | None | 6 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 357 | 6 | 2 | 6 | 2.7 | CCCn1c(=O)c2[nH]c(-c3ccc(OC)cc3)c(O)c2n(CCC)c1=O | 10.1016/j.bmc.2008.09.067 | ||
| CHEMBL457418 | 175317 | 0 | None | 6 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 357 | 6 | 2 | 6 | 2.7 | CCCn1c(=O)c2[nH]c(-c3ccc(OC)cc3)c(O)c2n(CCC)c1=O | 10.1016/j.bmc.2008.09.067 | ||
| 44574254 | 173220 | 0 | None | 1 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 563 | 8 | 1 | 7 | 5.1 | CCCn1c(=O)c2[nH]c(-c3ccc(COC(=O)N4CCN(c5cccc(Cl)c5)CC4)cc3)cc2n(CCC)c1=O | 10.1016/j.bmc.2009.03.062 | ||
| CHEMBL452454 | 173220 | 0 | None | 1 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 563 | 8 | 1 | 7 | 5.1 | CCCn1c(=O)c2[nH]c(-c3ccc(COC(=O)N4CCN(c5cccc(Cl)c5)CC4)cc3)cc2n(CCC)c1=O | 10.1016/j.bmc.2009.03.062 | ||
| 22266732 | 159324 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 514 | 7 | 1 | 10 | 3.3 | CCCn1c(=O)c2[nH]c(-c3cnn(Cc4noc(-c5ccc(C(F)(F)F)cc5)n4)c3)nc2n(CC)c1=O | 10.1021/jm7014815 | ||
| CHEMBL410021 | 159324 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 514 | 7 | 1 | 10 | 3.3 | CCCn1c(=O)c2[nH]c(-c3cnn(Cc4noc(-c5ccc(C(F)(F)F)cc5)n4)c3)nc2n(CC)c1=O | 10.1021/jm7014815 | ||
| 21874697 | 178564 | 0 | None | -12 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 328 | 3 | 1 | 7 | 2.4 | Nc1nc(-c2ccco2)c2nnn(Cc3c(F)cccc3F)c2n1 | 10.1021/jm800961g | ||
| CHEMBL467246 | 178564 | 0 | None | -12 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 328 | 3 | 1 | 7 | 2.4 | Nc1nc(-c2ccco2)c2nnn(Cc3c(F)cccc3F)c2n1 | 10.1021/jm800961g | ||
| 10404217 | 120073 | 0 | None | 19 | 5 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 328 | 5 | 3 | 5 | 1.6 | CCCCn1c(=O)[nH]c2[nH]c(-c3ccc(C(=O)O)cc3)nc2c1=O | 10.1021/jm011049y | ||
| CHEMBL35094 | 120073 | 0 | None | 19 | 5 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 328 | 5 | 3 | 5 | 1.6 | CCCCn1c(=O)[nH]c2[nH]c(-c3ccc(C(=O)O)cc3)nc2c1=O | 10.1021/jm011049y | ||
| 16071896 | 57995 | 44 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 335 | 4 | 1 | 5 | 3.1 | O=C(Nc1cnc(-c2ccncc2F)c(-c2cccnc2)n1)C1CC1 | 10.1016/j.ejmech.2018.11.045 | ||
| CHEMBL1672627 | 57995 | 44 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 335 | 4 | 1 | 5 | 3.1 | O=C(Nc1cnc(-c2ccncc2F)c(-c2cccnc2)n1)C1CC1 | 10.1016/j.ejmech.2018.11.045 | ||
| 137634776 | 155951 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 288 | 3 | 2 | 5 | 1.6 | CC1=C(C(=O)OC(C)C)C(c2ccco2)N/C(=N/C#N)N1 | 10.1021/acs.jmedchem.7b00138 | ||
| CHEMBL4061502 | 155951 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 288 | 3 | 2 | 5 | 1.6 | CC1=C(C(=O)OC(C)C)C(c2ccco2)N/C(=N/C#N)N1 | 10.1021/acs.jmedchem.7b00138 | ||
| 145975418 | 163828 | 0 | None | 7 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 645 | 11 | 3 | 7 | 4.7 | CCCn1c(=O)[nH]c2nc(-c3ccc(OCC(=O)NCCCCC4=C5C(C)=CC(C)=[N+]5[B-](F)(F)n5c(C)cc(C)c54)cc3)[nH]c2c1=O | 10.1021/acs.jmedchem.7b01627 | ||
| CHEMBL4206556 | 163828 | 0 | None | 7 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 645 | 11 | 3 | 7 | 4.7 | CCCn1c(=O)[nH]c2nc(-c3ccc(OCC(=O)NCCCCC4=C5C(C)=CC(C)=[N+]5[B-](F)(F)n5c(C)cc(C)c54)cc3)[nH]c2c1=O | 10.1021/acs.jmedchem.7b01627 | ||
| 11548714 | 73304 | 0 | None | 5 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 572 | 9 | 2 | 6 | 5.4 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(Br)cc4)cc3)c(Cl)c2n(CCC)c1=O | 10.1021/jm0506221 | ||
| CHEMBL201321 | 73304 | 0 | None | 5 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 572 | 9 | 2 | 6 | 5.4 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(Br)cc4)cc3)c(Cl)c2n(CCC)c1=O | 10.1021/jm0506221 | ||
| 11628044 | 74666 | 0 | None | 1 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 538 | 9 | 2 | 6 | 4.8 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccccc4)cc3)c(Br)c2n(CCC)c1=O | 10.1021/jm0506221 | ||
| CHEMBL203030 | 74666 | 0 | None | 1 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 538 | 9 | 2 | 6 | 4.8 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccccc4)cc3)c(Br)c2n(CCC)c1=O | 10.1021/jm0506221 | ||
| 44451199 | 156844 | 0 | None | 10 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 557 | 9 | 1 | 7 | 4.5 | CCCn1c(=O)c2[nH]c(-c3ccc(OC(C)(C)C(=O)N4CCN(c5ccccc5)CC4)cc3)cc2n(CCC)c1=O | 10.1016/j.bmc.2008.01.002 | ||
| CHEMBL407179 | 156844 | 0 | None | 10 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 557 | 9 | 1 | 7 | 4.5 | CCCn1c(=O)c2[nH]c(-c3ccc(OC(C)(C)C(=O)N4CCN(c5ccccc5)CC4)cc3)cc2n(CCC)c1=O | 10.1016/j.bmc.2008.01.002 | ||
| 162668796 | 182701 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 262 | 4 | 2 | 3 | 2.5 | CC1=C(C(=O)CC(C)C)C(c2ccco2)NC(=O)N1 | 10.1021/acs.jmedchem.0c01431 | ||
| CHEMBL4789729 | 182701 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 262 | 4 | 2 | 3 | 2.5 | CC1=C(C(=O)CC(C)C)C(c2ccco2)NC(=O)N1 | 10.1021/acs.jmedchem.0c01431 | ||
| 11597118 | 77063 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 428 | 7 | 1 | 7 | 2.9 | CCCn1c(=O)c2nc(-c3cnn(Cc4cccc(F)c4F)c3)[nH]c2n(CCC)c1=O | 10.1021/jm051268+ | ||
| CHEMBL207482 | 77063 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 428 | 7 | 1 | 7 | 2.9 | CCCn1c(=O)c2nc(-c3cnn(Cc4cccc(F)c4F)c3)[nH]c2n(CCC)c1=O | 10.1021/jm051268+ | ||
| 44410585 | 77290 | 0 | None | -9999 | 4 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 478 | 8 | 4 | 9 | 1.4 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC)nc(C#CCCCc4ccccc4)nc32)[C@H](O)[C@@H]1O | 10.1016/j.bmcl.2006.01.110 | ||
| CHEMBL208311 | 77290 | 0 | None | -9999 | 4 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 478 | 8 | 4 | 9 | 1.4 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC)nc(C#CCCCc4ccccc4)nc32)[C@H](O)[C@@H]1O | 10.1016/j.bmcl.2006.01.110 | ||
| 11761221 | 58127 | 0 | None | -50 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 402 | 5 | 2 | 8 | 3.8 | CCCn1cc2c(nc(NC(=O)Nc3ccccc3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm0109614 | ||
| CHEMBL168018 | 58127 | 0 | None | -50 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 402 | 5 | 2 | 8 | 3.8 | CCCn1cc2c(nc(NC(=O)Nc3ccccc3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm0109614 | ||
| 18440425 | 198330 | 0 | None | -15 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 282 | 5 | 2 | 6 | 2.1 | CCn1cnc2c(N)nc(NCCc3ccccc3)nc21 | 10.1039/C5MD00034C | ||
| CHEMBL576447 | 198330 | 0 | None | -15 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 282 | 5 | 2 | 6 | 2.1 | CCn1cnc2c(N)nc(NCCc3ccccc3)nc21 | 10.1039/C5MD00034C | ||
| 9953799 | 203351 | 2 | None | -47 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 418 | 5 | 2 | 9 | 3.4 | CCn1cc2c(nc(NC(=O)Nc3ccc(OC)cc3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm001047y | ||
| CHEMBL65271 | 203351 | 2 | None | -47 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 418 | 5 | 2 | 9 | 3.4 | CCn1cc2c(nc(NC(=O)Nc3ccc(OC)cc3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm001047y | ||
| 9953799 | 203351 | 2 | None | -47 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 418 | 5 | 2 | 9 | 3.4 | CCn1cc2c(nc(NC(=O)Nc3ccc(OC)cc3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm010818a | ||
| CHEMBL65271 | 203351 | 2 | None | -47 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 418 | 5 | 2 | 9 | 3.4 | CCn1cc2c(nc(NC(=O)Nc3ccc(OC)cc3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm010818a | ||
| 9953799 | 203351 | 2 | None | -47 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 418 | 5 | 2 | 9 | 3.4 | CCn1cc2c(nc(NC(=O)Nc3ccc(OC)cc3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm0109614 | ||
| CHEMBL65271 | 203351 | 2 | None | -47 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 418 | 5 | 2 | 9 | 3.4 | CCn1cc2c(nc(NC(=O)Nc3ccc(OC)cc3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm0109614 | ||
| 11015003 | 57125 | 0 | None | -9 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 406 | 4 | 2 | 8 | 3.5 | CCn1cc2c(nc(NC(=O)Nc3ccc(F)cc3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm0109614 | ||
| CHEMBL164685 | 57125 | 0 | None | -9 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 406 | 4 | 2 | 8 | 3.5 | CCn1cc2c(nc(NC(=O)Nc3ccc(F)cc3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm0109614 | ||
| 44520980 | 199790 | 0 | None | -977 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 311 | 4 | 2 | 6 | 1.9 | Cc1ccc(-c2cc(C(=O)NCc3cccn3C)nc(N)n2)o1 | 10.1016/j.bmc.2009.07.078 | ||
| CHEMBL594136 | 199790 | 0 | None | -977 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 311 | 4 | 2 | 6 | 1.9 | Cc1ccc(-c2cc(C(=O)NCc3cccn3C)nc(N)n2)o1 | 10.1016/j.bmc.2009.07.078 | ||
| 44449532 | 96159 | 0 | None | -870 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 318 | 3 | 1 | 7 | 2.8 | OC[C@@H]1CCCN1c1nc(-c2nccs2)c2sccc2n1 | 10.1016/j.bmcl.2008.03.076 | ||
| CHEMBL260718 | 96159 | 0 | None | -870 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 318 | 3 | 1 | 7 | 2.8 | OC[C@@H]1CCCN1c1nc(-c2nccs2)c2sccc2n1 | 10.1016/j.bmcl.2008.03.076 | ||
| 9880392 | 189185 | 0 | None | -30 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 326 | 3 | 1 | 7 | 2.7 | Nc1nc(-c2cccs2)c2nnn(Cc3ccccc3F)c2n1 | 10.1021/jm800961g | ||
| CHEMBL511405 | 189185 | 0 | None | -30 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 326 | 3 | 1 | 7 | 2.7 | Nc1nc(-c2cccs2)c2nnn(Cc3ccccc3F)c2n1 | 10.1021/jm800961g | ||
| 44410597 | 139196 | 0 | None | -3235 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 496 | 7 | 5 | 11 | 0.1 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC)nc(C#CC(O)c4ccc(OC)cc4)nc32)[C@H](O)[C@@H]1O | 10.1016/j.bmcl.2006.01.110 | ||
| CHEMBL378810 | 139196 | 0 | None | -3235 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 496 | 7 | 5 | 11 | 0.1 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC)nc(C#CC(O)c4ccc(OC)cc4)nc32)[C@H](O)[C@@H]1O | 10.1016/j.bmcl.2006.01.110 | ||
| 168278363 | 191141 | 0 | None | -169 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 451 | 11 | 3 | 10 | 2.9 | Nc1nc(-c2ccco2)c2cnn(Cc3cccc(OCCCCCCC(=O)NO)n3)c2n1 | 10.1016/j.ejmech.2022.114326 | ||
| CHEMBL5188801 | 191141 | 0 | None | -169 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 451 | 11 | 3 | 10 | 2.9 | Nc1nc(-c2ccco2)c2cnn(Cc3cccc(OCCCCCCC(=O)NO)n3)c2n1 | 10.1016/j.ejmech.2022.114326 | ||
| 11027412 | 29598 | 0 | None | 1 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 493 | 9 | 1 | 9 | 4.4 | O=C(COc1ccccc1)Nc1nc2nn(CCCc3ccccc3)cc2c2nc(-c3ccco3)nn12 | 10.1021/jm030852k | ||
| CHEMBL138593 | 29598 | 0 | None | 1 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 493 | 9 | 1 | 9 | 4.4 | O=C(COc1ccccc1)Nc1nc2nn(CCCc3ccccc3)cc2c2nc(-c3ccco3)nn12 | 10.1021/jm030852k | ||
| 10895565 | 168428 | 0 | None | 1 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 445 | 8 | 1 | 9 | 3.8 | CC(C)CCn1cc2c(nc(NC(=O)COc3ccccc3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm030852k | ||
| CHEMBL435022 | 168428 | 0 | None | 1 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 445 | 8 | 1 | 9 | 3.8 | CC(C)CCn1cc2c(nc(NC(=O)COc3ccccc3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm030852k | ||
| 16070337 | 57989 | 0 | None | 12 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 317 | 4 | 1 | 5 | 2.9 | O=C(Nc1cnc(-c2ccncc2)c(-c2cccnc2)n1)C1CC1 | 10.1021/ml100249e | ||
| CHEMBL1672621 | 57989 | 0 | None | 12 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 317 | 4 | 1 | 5 | 2.9 | O=C(Nc1cnc(-c2ccncc2)c(-c2cccnc2)n1)C1CC1 | 10.1021/ml100249e | ||
| 136042332 | 71130 | 0 | None | 177 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 598 | 8 | 2 | 9 | 4.6 | CCCn1c(=O)c2[nH]c(-c3cc(OCc4nc5c(C(F)(F)F)cc(C(F)(F)F)cc5[nH]4)nn3C)nc2n(CCC)c1=O | 10.1021/jm201292w | ||
| CHEMBL1955908 | 71130 | 0 | None | 177 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 598 | 8 | 2 | 9 | 4.6 | CCCn1c(=O)c2[nH]c(-c3cc(OCc4nc5c(C(F)(F)F)cc(C(F)(F)F)cc5[nH]4)nn3C)nc2n(CCC)c1=O | 10.1021/jm201292w | ||
| 22266769 | 157480 | 0 | None | 87 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 513 | 7 | 1 | 9 | 3.9 | CCCn1c(=O)c2[nH]c(-c3cnn(Cc4cc(-c5ccc(C(F)(F)F)cc5)on4)c3)nc2n(CC)c1=O | 10.1021/jm7014815 | ||
| CHEMBL407969 | 157480 | 0 | None | 87 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 513 | 7 | 1 | 9 | 3.9 | CCCn1c(=O)c2[nH]c(-c3cnn(Cc4cc(-c5ccc(C(F)(F)F)cc5)on4)c3)nc2n(CC)c1=O | 10.1021/jm7014815 | ||
| 11690983 | 72611 | 0 | None | 3 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 452 | 6 | 2 | 7 | 2.4 | COc1cc(OCC(=O)Nc2ccc(F)cc2)ccc1-c1cc2c([nH]1)c(=O)n(C)c(=O)n2C | 10.1021/jm0506221 | ||
| CHEMBL199485 | 72611 | 0 | None | 3 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 452 | 6 | 2 | 7 | 2.4 | COc1cc(OCC(=O)Nc2ccc(F)cc2)ccc1-c1cc2c([nH]1)c(=O)n(C)c(=O)n2C | 10.1021/jm0506221 | ||
| 11699025 | 73625 | 0 | None | -1 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 503 | 10 | 3 | 7 | 3.1 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(C(N)=O)cc4)cc3)cc2n(CCC)c1=O | 10.1021/jm0506221 | ||
| CHEMBL201791 | 73625 | 0 | None | -1 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 503 | 10 | 3 | 7 | 3.1 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(C(N)=O)cc4)cc3)cc2n(CCC)c1=O | 10.1021/jm0506221 | ||
| 44451019 | 95836 | 0 | None | 27 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 501 | 7 | 1 | 7 | 2.8 | CCCn1c(=O)n(C)c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(c5ccccc5)CC4)cc3)cc21 | 10.1016/j.bmc.2008.01.002 | ||
| CHEMBL259056 | 95836 | 0 | None | 27 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 501 | 7 | 1 | 7 | 2.8 | CCCn1c(=O)n(C)c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(c5ccccc5)CC4)cc3)cc21 | 10.1016/j.bmc.2008.01.002 | ||
| 44451020 | 158821 | 0 | None | 26 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 501 | 7 | 1 | 7 | 2.9 | CCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(c5ccccc5)CC4)cc3)cc2n(CC)c1=O | 10.1016/j.bmc.2008.01.002 | ||
| CHEMBL409481 | 158821 | 0 | None | 26 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 501 | 7 | 1 | 7 | 2.9 | CCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(c5ccccc5)CC4)cc3)cc2n(CC)c1=O | 10.1016/j.bmc.2008.01.002 | ||
| 11511897 | 66072 | 0 | None | 8 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 516 | 10 | 1 | 10 | 4.0 | CCCn1c(=O)c2nc(-c3ccc(OCc4noc(-c5ccc(OC)cc5)n4)cc3)[nH]c2n(CCC)c1=O | 10.1016/j.bmcl.2004.11.044 | ||
| CHEMBL183915 | 66072 | 0 | None | 8 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 516 | 10 | 1 | 10 | 4.0 | CCCn1c(=O)c2nc(-c3ccc(OCc4noc(-c5ccc(OC)cc5)n4)cc3)[nH]c2n(CCC)c1=O | 10.1016/j.bmcl.2004.11.044 | ||
| 1330 | 163194 | 45 | None | -1 | 6 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 392 | 6 | 2 | 7 | 1.6 | CCCn1c(=O)c2nc(-c3ccc(S(=O)(=O)O)cc3)[nH]c2n(CCC)c1=O | 10.1021/jm0310030 | ||
| CHEMBL418333 | 163194 | 45 | None | -1 | 6 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 392 | 6 | 2 | 7 | 1.6 | CCCn1c(=O)c2nc(-c3ccc(S(=O)(=O)O)cc3)[nH]c2n(CCC)c1=O | 10.1021/jm0310030 | ||
| CHEMBL435575 | 163194 | 45 | None | -1 | 6 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 392 | 6 | 2 | 7 | 1.6 | CCCn1c(=O)c2nc(-c3ccc(S(=O)(=O)O)cc3)[nH]c2n(CCC)c1=O | 10.1021/jm0310030 | ||
| 1330 | 163194 | 45 | None | -1 | 6 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 392 | 6 | 2 | 7 | 1.6 | CCCn1c(=O)c2nc(-c3ccc(S(=O)(=O)O)cc3)[nH]c2n(CCC)c1=O | 10.1021/jm060277v | ||
| CHEMBL418333 | 163194 | 45 | None | -1 | 6 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 392 | 6 | 2 | 7 | 1.6 | CCCn1c(=O)c2nc(-c3ccc(S(=O)(=O)O)cc3)[nH]c2n(CCC)c1=O | 10.1021/jm060277v | ||
| CHEMBL435575 | 163194 | 45 | None | -1 | 6 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 392 | 6 | 2 | 7 | 1.6 | CCCn1c(=O)c2nc(-c3ccc(S(=O)(=O)O)cc3)[nH]c2n(CCC)c1=O | 10.1021/jm060277v | ||
| 9887859 | 113485 | 0 | None | -10000 | 6 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 375 | 3 | 2 | 9 | 2.3 | Cn1cc2c(nc(NC(=O)Nc3ccncc3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm020974x | ||
| CHEMBL118923 | 113485 | 0 | None | -10000 | 6 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 375 | 3 | 2 | 9 | 2.3 | Cn1cc2c(nc(NC(=O)Nc3ccncc3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm020974x | ||
| CHEMBL332091 | 113485 | 0 | None | -10000 | 6 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 375 | 3 | 2 | 9 | 2.3 | Cn1cc2c(nc(NC(=O)Nc3ccncc3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm020974x | ||
| 135874433 | 96062 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 561 | 8 | 2 | 8 | 3.9 | CCCn1c(=O)c2[nH]c(-c3nn(CC(=O)Nc4ccc(Cl)cc4)c(C)c3Br)nc2n(CCC)c1=O | 10.1016/j.bmc.2007.11.058 | ||
| CHEMBL260153 | 96062 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 561 | 8 | 2 | 8 | 3.9 | CCCn1c(=O)c2[nH]c(-c3nn(CC(=O)Nc4ccc(Cl)cc4)c(C)c3Br)nc2n(CCC)c1=O | 10.1016/j.bmc.2007.11.058 | ||
| 11574428 | 138292 | 0 | None | -2 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 379 | 5 | 3 | 8 | -1.1 | Cn1c(=O)c2nc(-c3ccc(S(=O)(=O)NCCO)cc3)[nH]c2n(C)c1=O | 10.1021/jm060277v | ||
| CHEMBL377106 | 138292 | 0 | None | -2 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 379 | 5 | 3 | 8 | -1.1 | Cn1c(=O)c2nc(-c3ccc(S(=O)(=O)NCCO)cc3)[nH]c2n(C)c1=O | 10.1021/jm060277v | ||
| 1330 | 163194 | 45 | None | -1 | 6 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 392 | 6 | 2 | 7 | 1.6 | CCCn1c(=O)c2nc(-c3ccc(S(=O)(=O)O)cc3)[nH]c2n(CCC)c1=O | 10.1021/jm011049y | ||
| CHEMBL418333 | 163194 | 45 | None | -1 | 6 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 392 | 6 | 2 | 7 | 1.6 | CCCn1c(=O)c2nc(-c3ccc(S(=O)(=O)O)cc3)[nH]c2n(CCC)c1=O | 10.1021/jm011049y | ||
| CHEMBL435575 | 163194 | 45 | None | -1 | 6 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 392 | 6 | 2 | 7 | 1.6 | CCCn1c(=O)c2nc(-c3ccc(S(=O)(=O)O)cc3)[nH]c2n(CCC)c1=O | 10.1021/jm011049y | ||
| 11811544 | 57175 | 0 | None | -10 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 404 | 4 | 2 | 9 | 2.9 | COc1cccc(NC(=O)Nc2nc3nn(C)cc3c3nc(-c4ccco4)nn23)c1 | 10.1021/jm0109614 | ||
| CHEMBL164992 | 57175 | 0 | None | -10 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 404 | 4 | 2 | 9 | 2.9 | COc1cccc(NC(=O)Nc2nc3nn(C)cc3c3nc(-c4ccco4)nn23)c1 | 10.1021/jm0109614 | ||
| 44452434 | 160615 | 0 | None | -3 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 369 | 4 | 1 | 6 | 3.7 | O=C(Cc1ccccc1)Nc1nc2ccccc2n2nc(-c3ccco3)nc12 | 10.1016/j.bmc.2007.10.103 | ||
| CHEMBL411319 | 160615 | 0 | None | -3 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 369 | 4 | 1 | 6 | 3.7 | O=C(Cc1ccccc1)Nc1nc2ccccc2n2nc(-c3ccco3)nc12 | 10.1016/j.bmc.2007.10.103 | ||
| 44452455 | 160818 | 0 | None | -2 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 293 | 2 | 1 | 6 | 2.5 | CC(=O)Nc1nc2ccccc2n2nc(-c3ccco3)nc12 | 10.1016/j.bmc.2007.10.103 | ||
| CHEMBL411482 | 160818 | 0 | None | -2 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 293 | 2 | 1 | 6 | 2.5 | CC(=O)Nc1nc2ccccc2n2nc(-c3ccco3)nc12 | 10.1016/j.bmc.2007.10.103 | ||
| 44452431 | 96582 | 0 | None | -12 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 345 | 3 | 1 | 7 | 3.4 | O=C(Nc1nc2ccccc2n2nc(-c3ccco3)nc12)c1ccco1 | 10.1016/j.bmc.2007.10.103 | ||
| CHEMBL263370 | 96582 | 0 | None | -12 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 345 | 3 | 1 | 7 | 3.4 | O=C(Nc1nc2ccccc2n2nc(-c3ccco3)nc12)c1ccco1 | 10.1016/j.bmc.2007.10.103 | ||
| 24827998 | 138972 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 249 | 3 | 1 | 4 | 1.7 | CCOC(=O)C1=C(C)NC(=O)CC1c1ccco1 | 10.1021/acs.jmedchem.5b01586 | ||
| CHEMBL3785517 | 138972 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 249 | 3 | 1 | 4 | 1.7 | CCOC(=O)C1=C(C)NC(=O)CC1c1ccco1 | 10.1021/acs.jmedchem.5b01586 | ||
| 9857698 | 176867 | 0 | None | -85 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 306 | 3 | 1 | 7 | 2.4 | Cc1cccc(Cn2nnc3c(-c4ccco4)nc(N)nc32)c1 | 10.1021/jm800961g | ||
| CHEMBL461651 | 176867 | 0 | None | -85 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 306 | 3 | 1 | 7 | 2.4 | Cc1cccc(Cn2nnc3c(-c4ccco4)nc(N)nc32)c1 | 10.1021/jm800961g | ||
| 21958541 | 62966 | 0 | None | 19 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 554 | 9 | 1 | 9 | 5.0 | CCCn1c(=O)c2nc(-c3ccc(OCc4noc(-c5ccc(C(F)(F)F)cc5)n4)cc3)[nH]c2n(CCC)c1=O | 10.1016/j.bmcl.2004.11.044 | ||
| CHEMBL178662 | 62966 | 0 | None | 19 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 554 | 9 | 1 | 9 | 5.0 | CCCn1c(=O)c2nc(-c3ccc(OCc4noc(-c5ccc(C(F)(F)F)cc5)n4)cc3)[nH]c2n(CCC)c1=O | 10.1016/j.bmcl.2004.11.044 | ||
| 176408 | 3531 | 84 | None | -407 | 7 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 345 | 4 | 1 | 8 | 2.6 | Nc1nc2n(CCc3ccccc3)ncc2c2n1nc(n2)c1ccco1 | 10.1021/acs.jmedchem.1c01155 | ||
| 403 | 3531 | 84 | None | -407 | 7 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 345 | 4 | 1 | 8 | 2.6 | Nc1nc2n(CCc3ccccc3)ncc2c2n1nc(n2)c1ccco1 | 10.1021/acs.jmedchem.1c01155 | ||
| 431 | 3531 | 84 | None | -407 | 7 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 345 | 4 | 1 | 8 | 2.6 | Nc1nc2n(CCc3ccccc3)ncc2c2n1nc(n2)c1ccco1 | 10.1021/acs.jmedchem.1c01155 | ||
| CHEMBL17127 | 3531 | 84 | None | -407 | 7 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 345 | 4 | 1 | 8 | 2.6 | Nc1nc2n(CCc3ccccc3)ncc2c2n1nc(n2)c1ccco1 | 10.1021/acs.jmedchem.1c01155 | ||
| 372 | 58 | 103 | None | -2630 | 9 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 301 | 2 | 4 | 9 | -1.3 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(Cl)nc2N | 10.1021/jm900413e | ||
| 8974 | 58 | 103 | None | -2630 | 9 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 301 | 2 | 4 | 9 | -1.3 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(Cl)nc2N | 10.1021/jm900413e | ||
| CHEMBL285819 | 58 | 103 | None | -2630 | 9 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 301 | 2 | 4 | 9 | -1.3 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(Cl)nc2N | 10.1021/jm900413e | ||
| 72546539 | 103826 | 0 | None | 2 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 278 | 5 | 2 | 4 | 2.3 | CCCC1=C(C(=O)OCC)C(c2ccco2)NC(=O)N1 | 10.1021/ml400185v | ||
| CHEMBL3091711 | 103826 | 0 | None | 2 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 278 | 5 | 2 | 4 | 2.3 | CCCC1=C(C(=O)OCC)C(c2ccco2)NC(=O)N1 | 10.1021/ml400185v | ||
| 9857266 | 176957 | 0 | None | -21 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 293 | 3 | 1 | 8 | 1.5 | Nc1nc(-c2ccco2)c2nnn(Cc3ccccn3)c2n1 | 10.1021/jm800961g | ||
| CHEMBL462501 | 176957 | 0 | None | -21 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 293 | 3 | 1 | 8 | 1.5 | Nc1nc(-c2ccco2)c2nnn(Cc3ccccn3)c2n1 | 10.1021/jm800961g | ||
| 10155413 | 176865 | 0 | None | -117 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 360 | 3 | 1 | 7 | 3.1 | Nc1nc(-c2ccco2)c2nnn(Cc3cccc(C(F)(F)F)c3)c2n1 | 10.1021/jm800961g | ||
| CHEMBL461649 | 176865 | 0 | None | -117 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 360 | 3 | 1 | 7 | 3.1 | Nc1nc(-c2ccco2)c2nnn(Cc3cccc(C(F)(F)F)c3)c2n1 | 10.1021/jm800961g | ||
| 10051061 | 161513 | 0 | None | -10 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 485 | 8 | 2 | 9 | 2.6 | CCCCn1c(=O)[nH]c2[nH]c(-c3ccc(S(=O)(=O)Oc4ccc([N+](=O)[O-])cc4)cc3)nc2c1=O | 10.1021/jm0310030 | ||
| CHEMBL412854 | 161513 | 0 | None | -10 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 485 | 8 | 2 | 9 | 2.6 | CCCCn1c(=O)[nH]c2[nH]c(-c3ccc(S(=O)(=O)Oc4ccc([N+](=O)[O-])cc4)cc3)nc2c1=O | 10.1021/jm0310030 | ||
| 11071159 | 99481 | 0 | None | 12 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 502 | 5 | 2 | 11 | 2.7 | COc1ccc(NC(=O)Nc2nc3nn(C)c(N4CCN(C)CC4)c3c3nc(-c4ccco4)nn23)cc1 | 10.1021/jm021023m | ||
| CHEMBL283319 | 99481 | 0 | None | 12 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 502 | 5 | 2 | 11 | 2.7 | COc1ccc(NC(=O)Nc2nc3nn(C)c(N4CCN(C)CC4)c3c3nc(-c4ccco4)nn23)cc1 | 10.1021/jm021023m | ||
| 53321372 | 57997 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 353 | 4 | 1 | 5 | 3.2 | O=C(Nc1cnc(-c2c(F)cncc2F)c(-c2cccnc2)n1)C1CC1 | 10.1021/ml100249e | ||
| CHEMBL1672629 | 57997 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 353 | 4 | 1 | 5 | 3.2 | O=C(Nc1cnc(-c2c(F)cncc2F)c(-c2cccnc2)n1)C1CC1 | 10.1021/ml100249e | ||
| 21958512 | 166502 | 1 | None | 8 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 396 | 6 | 1 | 7 | 2.3 | CCCCn1c(=O)c2[nH]c(-c3cnn(Cc4cccc(F)c4)c3)nc2n(C)c1=O | 10.1021/jm7014815 | ||
| CHEMBL427911 | 166502 | 1 | None | 8 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 396 | 6 | 1 | 7 | 2.3 | CCCCn1c(=O)c2[nH]c(-c3cnn(Cc4cccc(F)c4)c3)nc2n(C)c1=O | 10.1021/jm7014815 | ||
| 11121771 | 100315 | 0 | None | 3 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 354 | 5 | 2 | 6 | 1.7 | CCCn1c(=O)[nH]c2[nH]c(-c3ccc(/C=C/C(=O)OC)cc3)nc2c1=O | 10.1021/jm011049y | ||
| CHEMBL289516 | 100315 | 0 | None | 3 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 354 | 5 | 2 | 6 | 1.7 | CCCn1c(=O)[nH]c2[nH]c(-c3ccc(/C=C/C(=O)OC)cc3)nc2c1=O | 10.1021/jm011049y | ||
| 11676986 | 165730 | 0 | None | 11 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 461 | 9 | 2 | 7 | 3.4 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccccn4)cc3)cc2n(CCC)c1=O | 10.1021/jm0506221 | ||
| CHEMBL424671 | 165730 | 0 | None | 11 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 461 | 9 | 2 | 7 | 3.4 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccccn4)cc3)cc2n(CCC)c1=O | 10.1021/jm0506221 | ||
| 46233378 | 200315 | 0 | None | 3 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 370 | 5 | 0 | 8 | 2.2 | CCn1c(=O)c2c(nc(Cc3ccco3)n2C)n(Cc2cccs2)c1=O | 10.1016/j.bmc.2010.01.028 | ||
| CHEMBL597559 | 200315 | 0 | None | 3 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 370 | 5 | 0 | 8 | 2.2 | CCn1c(=O)c2c(nc(Cc3ccco3)n2C)n(Cc2cccs2)c1=O | 10.1016/j.bmc.2010.01.028 | ||
| 16122818 | 57833 | 20 | None | -44 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 353 | 4 | 2 | 4 | 4.0 | CC(C)(C)CC(=O)Nc1c(F)cc(C(=O)Nc2nccs2)cc1F | 10.1021/jm1008659 | ||
| CHEMBL1671936 | 57833 | 20 | None | -44 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 353 | 4 | 2 | 4 | 4.0 | CC(C)(C)CC(=O)Nc1c(F)cc(C(=O)Nc2nccs2)cc1F | 10.1021/jm1008659 | ||
| 9801343 | 112397 | 0 | None | -41 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 404 | 4 | 2 | 9 | 2.9 | COc1ccc(NC(=O)Nc2nc3nn(C)cc3c3nc(-c4ccco4)nn23)cc1 | 10.1021/jm001047y | ||
| CHEMBL329791 | 112397 | 0 | None | -41 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 404 | 4 | 2 | 9 | 2.9 | COc1ccc(NC(=O)Nc2nc3nn(C)cc3c3nc(-c4ccco4)nn23)cc1 | 10.1021/jm001047y | ||
| 9801343 | 112397 | 0 | None | -41 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 404 | 4 | 2 | 9 | 2.9 | COc1ccc(NC(=O)Nc2nc3nn(C)cc3c3nc(-c4ccco4)nn23)cc1 | 10.1021/jm010818a | ||
| CHEMBL329791 | 112397 | 0 | None | -41 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 404 | 4 | 2 | 9 | 2.9 | COc1ccc(NC(=O)Nc2nc3nn(C)cc3c3nc(-c4ccco4)nn23)cc1 | 10.1021/jm010818a | ||
| 9801343 | 112397 | 0 | None | -41 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 404 | 4 | 2 | 9 | 2.9 | COc1ccc(NC(=O)Nc2nc3nn(C)cc3c3nc(-c4ccco4)nn23)cc1 | 10.1021/jm0109614 | ||
| CHEMBL329791 | 112397 | 0 | None | -41 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 404 | 4 | 2 | 9 | 2.9 | COc1ccc(NC(=O)Nc2nc3nn(C)cc3c3nc(-c4ccco4)nn23)cc1 | 10.1021/jm0109614 | ||
| 377 | 2738 | 53 | None | -1479 | 15 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/jm900413e | ||
| 425 | 2738 | 53 | None | -1479 | 15 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/jm900413e | ||
| 448222 | 2738 | 53 | None | -1479 | 15 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/jm900413e | ||
| CHEMBL464859 | 2738 | 53 | None | -1479 | 15 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/jm900413e | ||
| 11641051 | 168828 | 0 | None | 1 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 454 | 9 | 2 | 7 | 2.2 | COCCCn1c(=O)n(C)c(=O)c2[nH]c(-c3ccc(OCC(=O)NC4CCCC4)cc3)cc21 | 10.1021/jm0506221 | ||
| CHEMBL438071 | 168828 | 0 | None | 1 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 454 | 9 | 2 | 7 | 2.2 | COCCCn1c(=O)n(C)c(=O)c2[nH]c(-c3ccc(OCC(=O)NC4CCCC4)cc3)cc21 | 10.1021/jm0506221 | ||
| 44410402 | 76091 | 0 | None | -12882 | 4 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 444 | 5 | 5 | 10 | -0.3 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC)nc(C#CC4(O)CCCC4)nc32)[C@H](O)[C@@H]1O | 10.1016/j.bmcl.2006.01.110 | ||
| CHEMBL205768 | 76091 | 0 | None | -12882 | 4 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 444 | 5 | 5 | 10 | -0.3 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC)nc(C#CC4(O)CCCC4)nc32)[C@H](O)[C@@H]1O | 10.1016/j.bmcl.2006.01.110 | ||
| 5604 | 3343 | 35 | None | -1995 | 10 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 356 | 5 | 1 | 5 | 2.8 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C12CC3CC2CC(C1)C3 | 10.1039/C8MD00070K | ||
| 64627 | 3343 | 35 | None | -1995 | 10 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 356 | 5 | 1 | 5 | 2.8 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C12CC3CC2CC(C1)C3 | 10.1039/C8MD00070K | ||
| CHEMBL52333 | 3343 | 35 | None | -1995 | 10 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 356 | 5 | 1 | 5 | 2.8 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C12CC3CC2CC(C1)C3 | 10.1039/C8MD00070K | ||
| DB05360 | 3343 | 35 | None | -1995 | 10 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 356 | 5 | 1 | 5 | 2.8 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C12CC3CC2CC(C1)C3 | 10.1039/C8MD00070K | ||
| 11674882 | 73368 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 359 | 5 | 2 | 7 | 0.7 | COc1cc(-c2cc3c([nH]2)c(=O)n(C)c(=O)n3C)ccc1OCC(=O)O | 10.1021/jm0506221 | ||
| CHEMBL201547 | 73368 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 359 | 5 | 2 | 7 | 0.7 | COc1cc(-c2cc3c([nH]2)c(=O)n(C)c(=O)n3C)ccc1OCC(=O)O | 10.1021/jm0506221 | ||
| 46228057 | 201308 | 0 | None | -1 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 366 | 5 | 1 | 7 | 1.8 | C#CCn1c(=O)c2[nH]c(Cc3cccs3)nc2n(Cc2ccco2)c1=O | 10.1016/j.bmc.2009.07.034 | ||
| CHEMBL604283 | 201308 | 0 | None | -1 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 366 | 5 | 1 | 7 | 1.8 | C#CCn1c(=O)c2[nH]c(Cc3cccs3)nc2n(Cc2ccco2)c1=O | 10.1016/j.bmc.2009.07.034 | ||
| 11544894 | 96347 | 0 | None | 7 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 354 | 3 | 1 | 7 | 1.0 | Cn1c(=O)c2[nH]c(-c3cnn(Cc4cccc(F)c4)c3)nc2n(C)c1=O | 10.1021/jm7014815 | ||
| CHEMBL261722 | 96347 | 0 | None | 7 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 354 | 3 | 1 | 7 | 1.0 | Cn1c(=O)c2[nH]c(-c3cnn(Cc4cccc(F)c4)c3)nc2n(C)c1=O | 10.1021/jm7014815 | ||
| 44450517 | 158311 | 0 | None | 6 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 390 | 6 | 1 | 7 | 2.2 | CCn1c(=O)n(CC2CC2)c(=O)c2[nH]c(-c3cnn(Cc4ccccc4)c3)nc21 | 10.1021/jm7014815 | ||
| CHEMBL408936 | 158311 | 0 | None | 6 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 390 | 6 | 1 | 7 | 2.2 | CCn1c(=O)n(CC2CC2)c(=O)c2[nH]c(-c3cnn(Cc4ccccc4)c3)nc21 | 10.1021/jm7014815 | ||
| 11544894 | 96347 | 0 | None | 7 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 354 | 3 | 1 | 7 | 1.0 | Cn1c(=O)c2[nH]c(-c3cnn(Cc4cccc(F)c4)c3)nc2n(C)c1=O | 10.1021/jm051268+ | ||
| CHEMBL261722 | 96347 | 0 | None | 7 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 354 | 3 | 1 | 7 | 1.0 | Cn1c(=O)c2[nH]c(-c3cnn(Cc4cccc(F)c4)c3)nc2n(C)c1=O | 10.1021/jm051268+ | ||
| 155537221 | 172252 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 377 | 3 | 1 | 6 | 4.0 | CC1=C(C(=O)OCC(F)(F)F)C(c2ccco2)n2c(nc3ccccc32)N1 | 10.1016/j.ejmech.2021.113907 | ||
| CHEMBL4474714 | 172252 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 377 | 3 | 1 | 6 | 4.0 | CC1=C(C(=O)OCC(F)(F)F)C(c2ccco2)n2c(nc3ccccc32)N1 | 10.1016/j.ejmech.2021.113907 | ||
| 155537221 | 172252 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 377 | 3 | 1 | 6 | 4.0 | CC1=C(C(=O)OCC(F)(F)F)C(c2ccco2)n2c(nc3ccccc32)N1 | 10.1021/acs.jmedchem.9b01340 | ||
| CHEMBL4474714 | 172252 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 377 | 3 | 1 | 6 | 4.0 | CC1=C(C(=O)OCC(F)(F)F)C(c2ccco2)n2c(nc3ccccc32)N1 | 10.1021/acs.jmedchem.9b01340 | ||
| 11710918 | 138781 | 0 | None | 1 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 393 | 7 | 4 | 7 | -0.2 | CCCn1c(=O)[nH]c2[nH]c(-c3ccc(S(=O)(=O)NCCO)cc3)nc2c1=O | 10.1021/jm060277v | ||
| CHEMBL378102 | 138781 | 0 | None | 1 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 393 | 7 | 4 | 7 | -0.2 | CCCn1c(=O)[nH]c2[nH]c(-c3ccc(S(=O)(=O)NCCO)cc3)nc2c1=O | 10.1021/jm060277v | ||
| 11713242 | 72566 | 0 | None | 1 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 512 | 9 | 2 | 6 | 4.8 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(F)cc4)cc3)c(Cl)c2n(CCC)c1=O | 10.1021/jm0506221 | ||
| CHEMBL199326 | 72566 | 0 | None | 1 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 512 | 9 | 2 | 6 | 4.8 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(F)cc4)cc3)c(Cl)c2n(CCC)c1=O | 10.1021/jm0506221 | ||
| 11590097 | 74459 | 0 | None | 8 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 432 | 6 | 2 | 6 | 2.5 | CC(NC(=O)COc1ccc(-c2cc3c([nH]2)c(=O)n(C)c(=O)n3C)cc1)c1ccccc1 | 10.1021/jm0506221 | ||
| CHEMBL202828 | 74459 | 0 | None | 8 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 432 | 6 | 2 | 6 | 2.5 | CC(NC(=O)COc1ccc(-c2cc3c([nH]2)c(=O)n(C)c(=O)n3C)cc1)c1ccccc1 | 10.1021/jm0506221 | ||
| 11548192 | 165974 | 0 | None | 1 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 524 | 10 | 2 | 7 | 4.7 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(OC)cc4)cc3)c(Cl)c2n(CCC)c1=O | 10.1021/jm0506221 | ||
| CHEMBL425395 | 165974 | 0 | None | 1 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 524 | 10 | 2 | 7 | 4.7 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(OC)cc4)cc3)c(Cl)c2n(CCC)c1=O | 10.1021/jm0506221 | ||
| 44451489 | 159050 | 0 | None | 22 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 489 | 5 | 2 | 8 | 1.7 | Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(c5ccc(O)cc5)CC4)cc3)cc2n(C)c1=O | 10.1016/j.bmc.2008.01.002 | ||
| CHEMBL409725 | 159050 | 0 | None | 22 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 489 | 5 | 2 | 8 | 1.7 | Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(c5ccc(O)cc5)CC4)cc3)cc2n(C)c1=O | 10.1016/j.bmc.2008.01.002 | ||
| 46227973 | 199720 | 0 | None | 14 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 400 | 7 | 0 | 9 | 1.8 | COCCn1c(=O)c2c(nc(Cc3cccs3)n2C)n(Cc2ccco2)c1=O | 10.1016/j.bmc.2009.07.034 | ||
| CHEMBL593572 | 199720 | 0 | None | 14 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 400 | 7 | 0 | 9 | 1.8 | COCCn1c(=O)c2c(nc(Cc3cccs3)n2C)n(Cc2ccco2)c1=O | 10.1016/j.bmc.2009.07.034 | ||
| 145964230 | 163987 | 0 | None | 1 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 461 | 10 | 3 | 6 | 2.6 | CCCn1c(=O)[nH]c2nc(-c3ccc(OCC(=O)NCCCc4ccccc4)cc3)[nH]c2c1=O | 10.1021/acs.jmedchem.7b01627 | ||
| CHEMBL4208432 | 163987 | 0 | None | 1 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 461 | 10 | 3 | 6 | 2.6 | CCCn1c(=O)[nH]c2nc(-c3ccc(OCC(=O)NCCCc4ccccc4)cc3)[nH]c2c1=O | 10.1021/acs.jmedchem.7b01627 | ||
| 9901171 | 176800 | 0 | None | -107 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 307 | 3 | 2 | 8 | 1.7 | Nc1cccc(Cn2nnc3c(-c4ccco4)nc(N)nc32)c1 | 10.1021/jm800961g | ||
| CHEMBL461008 | 176800 | 0 | None | -107 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 307 | 3 | 2 | 8 | 1.7 | Nc1cccc(Cn2nnc3c(-c4ccco4)nc(N)nc32)c1 | 10.1021/jm800961g | ||
| 2153 | 3771 | 115 | None | -21 | 14 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 180 | 0 | 1 | 5 | -1.0 | Cn1c(=O)n(C)c2c(c1=O)[nH]cn2 | 10.1016/j.bmc.2010.02.014 | ||
| 2620 | 3771 | 115 | None | -21 | 14 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 180 | 0 | 1 | 5 | -1.0 | Cn1c(=O)n(C)c2c(c1=O)[nH]cn2 | 10.1016/j.bmc.2010.02.014 | ||
| 413 | 3771 | 115 | None | -21 | 14 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 180 | 0 | 1 | 5 | -1.0 | Cn1c(=O)n(C)c2c(c1=O)[nH]cn2 | 10.1016/j.bmc.2010.02.014 | ||
| CHEMBL190 | 3771 | 115 | None | -21 | 14 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 180 | 0 | 1 | 5 | -1.0 | Cn1c(=O)n(C)c2c(c1=O)[nH]cn2 | 10.1016/j.bmc.2010.02.014 | ||
| DB00277 | 3771 | 115 | None | -21 | 14 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 180 | 0 | 1 | 5 | -1.0 | Cn1c(=O)n(C)c2c(c1=O)[nH]cn2 | 10.1016/j.bmc.2010.02.014 | ||
| 9858578 | 188962 | 0 | None | -31 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 327 | 3 | 1 | 8 | 2.1 | Nc1nc(-c2nccs2)c2nnn(Cc3ccccc3F)c2n1 | 10.1021/jm800961g | ||
| CHEMBL508558 | 188962 | 0 | None | -31 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 327 | 3 | 1 | 8 | 2.1 | Nc1nc(-c2nccs2)c2nnn(Cc3ccccc3F)c2n1 | 10.1021/jm800961g | ||
| 10256007 | 122903 | 0 | None | -10 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 516 | 8 | 5 | 14 | 0.1 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(N)nc(N[C@H](CO)Cc5ccc(Cl)cc5)nc43)[C@H](O)[C@@H]2O)n1 | 10.1021/jm031143+ | ||
| CHEMBL360646 | 122903 | 0 | None | -10 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 516 | 8 | 5 | 14 | 0.1 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(N)nc(N[C@H](CO)Cc5ccc(Cl)cc5)nc43)[C@H](O)[C@@H]2O)n1 | 10.1021/jm031143+ | ||
| 145979285 | 166656 | 0 | None | -1 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 604 | 16 | 1 | 11 | 3.2 | CCCCn1c(=O)c2c(nc3n2CCCN3CCc2ccc(OCC(=O)NCCCn3ccnc3)cc2)n(CCCC)c1=O | 10.1039/C8MD00070K | ||
| CHEMBL4282002 | 166656 | 0 | None | -1 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 604 | 16 | 1 | 11 | 3.2 | CCCCn1c(=O)c2c(nc3n2CCCN3CCc2ccc(OCC(=O)NCCCn3ccnc3)cc2)n(CCCC)c1=O | 10.1039/C8MD00070K | ||
| 46228025 | 199924 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 416 | 8 | 1 | 8 | 2.9 | CCSCCn1c(=O)c2[nH]c(Cc3cccs3)nc2n(Cc2ccco2)c1=O | 10.1016/j.bmc.2009.07.034 | ||
| CHEMBL594970 | 199924 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 416 | 8 | 1 | 8 | 2.9 | CCSCCn1c(=O)c2[nH]c(Cc3cccs3)nc2n(Cc2ccco2)c1=O | 10.1016/j.bmc.2009.07.034 | ||
| 127034216 | 138936 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 287 | 3 | 1 | 6 | 2.7 | CC1=C(C(=O)OC(C)C)C(c2ccoc2)n2ccnc2N1 | 10.1021/acs.jmedchem.5b01586 | ||
| CHEMBL3785215 | 138936 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 287 | 3 | 1 | 6 | 2.7 | CC1=C(C(=O)OC(C)C)C(c2ccoc2)n2ccnc2N1 | 10.1021/acs.jmedchem.5b01586 | ||
| 69550 | 204079 | 86 | None | - | 1 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 238 | 2 | 1 | 7 | -1.5 | Cn1c(=O)c2c(ncn2CC(=O)O)n(C)c1=O | 10.1021/jm0104318 | ||
| CHEMBL70246 | 204079 | 86 | None | - | 1 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 238 | 2 | 1 | 7 | -1.5 | Cn1c(=O)c2c(ncn2CC(=O)O)n(C)c1=O | 10.1021/jm0104318 | ||
| 156018530 | 177770 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 354 | 3 | 1 | 7 | 3.7 | CC1=C(C(=O)OC(C)C)C(c2cnsc2)n2c(nc3ccccc32)N1 | 10.1021/acs.jmedchem.0c00564 | ||
| CHEMBL4643403 | 177770 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 354 | 3 | 1 | 7 | 3.7 | CC1=C(C(=O)OC(C)C)C(c2cnsc2)n2c(nc3ccccc32)N1 | 10.1021/acs.jmedchem.0c00564 | ||
| 44390444 | 64903 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 516 | 10 | 1 | 10 | 4.0 | CCCn1c(=O)c2nc(-c3ccc(OCc4nc(-c5ccc(OC)cc5)no4)cc3)[nH]c2n(CCC)c1=O | 10.1016/j.bmcl.2004.11.044 | ||
| CHEMBL182259 | 64903 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 516 | 10 | 1 | 10 | 4.0 | CCCn1c(=O)c2nc(-c3ccc(OCc4nc(-c5ccc(OC)cc5)no4)cc3)[nH]c2n(CCC)c1=O | 10.1016/j.bmcl.2004.11.044 | ||
| 70689262 | 77948 | 0 | None | -1202 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 496 | 8 | 4 | 14 | 0.5 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(N)nc(N[C@H](C)Cc5ccc(OC)cc5)nc43)[C@H](O)[C@@H]2O)n1 | 10.1021/jm031143+ | ||
| CHEMBL2096798 | 77948 | 0 | None | -1202 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 496 | 8 | 4 | 14 | 0.5 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(N)nc(N[C@H](C)Cc5ccc(OC)cc5)nc43)[C@H](O)[C@@H]2O)n1 | 10.1021/jm031143+ | ||
| 135493281 | 109599 | 0 | None | 18 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 483 | 8 | 2 | 8 | 2.9 | CCCn1c(=O)c2nc(-c3cc(NC(=O)Cc4ccc(Cl)cc4)nn3C)[nH]c2n(CCC)c1=O | 10.1021/jm0309654 | ||
| CHEMBL32225 | 109599 | 0 | None | 18 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 483 | 8 | 2 | 8 | 2.9 | CCCn1c(=O)c2nc(-c3cc(NC(=O)Cc4ccc(Cl)cc4)nn3C)[nH]c2n(CCC)c1=O | 10.1021/jm0309654 | ||
| 135493281 | 109599 | 0 | None | 18 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 483 | 8 | 2 | 8 | 2.9 | CCCn1c(=O)c2nc(-c3cc(NC(=O)Cc4ccc(Cl)cc4)nn3C)[nH]c2n(CCC)c1=O | 10.1021/jm0309654 | ||
| CHEMBL32225 | 109599 | 0 | None | 18 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 483 | 8 | 2 | 8 | 2.9 | CCCn1c(=O)c2nc(-c3cc(NC(=O)Cc4ccc(Cl)cc4)nn3C)[nH]c2n(CCC)c1=O | 10.1021/jm0309654 | ||
| 21958525 | 155534 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 432 | 5 | 2 | 6 | 3.0 | CC(C)Cn1c(=O)[nH]c2nc(-c3cnn(Cc4cccc(C(F)(F)F)c4)c3)[nH]c2c1=O | 10.1016/j.bmcl.2008.01.008 | ||
| CHEMBL404348 | 155534 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 432 | 5 | 2 | 6 | 3.0 | CC(C)Cn1c(=O)[nH]c2nc(-c3cnn(Cc4cccc(C(F)(F)F)c4)c3)[nH]c2c1=O | 10.1016/j.bmcl.2008.01.008 | ||
| 16720106 | 168861 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 346 | 4 | 1 | 8 | 2.6 | Cn1cc(Nc2ncc(-c3ccncn3)c(-c3ccco3)n2)ccc1=O | 10.1021/jm061333v | ||
| CHEMBL438306 | 168861 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 346 | 4 | 1 | 8 | 2.6 | Cn1cc(Nc2ncc(-c3ccncn3)c(-c3ccco3)n2)ccc1=O | 10.1021/jm061333v | ||
| 10906943 | 116504 | 0 | None | 1 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 479 | 7 | 1 | 8 | 5.1 | CC(C)CCn1cc2c(nc(NC(=O)Cc3cccc4ccccc34)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm030852k | ||
| CHEMBL336217 | 116504 | 0 | None | 1 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 479 | 7 | 1 | 8 | 5.1 | CC(C)CCn1cc2c(nc(NC(=O)Cc3cccc4ccccc34)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm030852k | ||
| 46880372 | 5489 | 0 | None | 1 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 306 | 3 | 1 | 3 | 3.5 | O=C(Nc1ccc(Br)c(-c2ccco2)n1)C1CC1 | 10.1016/j.bmcl.2010.01.045 | ||
| CHEMBL1076562 | 5489 | 0 | None | 1 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 306 | 3 | 1 | 3 | 3.5 | O=C(Nc1ccc(Br)c(-c2ccco2)n1)C1CC1 | 10.1016/j.bmcl.2010.01.045 | ||
| 135874429 | 95726 | 0 | None | 23 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 483 | 8 | 2 | 8 | 3.2 | CCCn1c(=O)c2[nH]c(-c3cc(C)n(CC(=O)Nc4cccc(Cl)c4)n3)nc2n(CCC)c1=O | 10.1016/j.bmc.2007.11.058 | ||
| CHEMBL258473 | 95726 | 0 | None | 23 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 483 | 8 | 2 | 8 | 3.2 | CCCn1c(=O)c2[nH]c(-c3cc(C)n(CC(=O)Nc4cccc(Cl)c4)n3)nc2n(CCC)c1=O | 10.1016/j.bmc.2007.11.058 | ||
| 135874414 | 96226 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 575 | 8 | 2 | 8 | 3.1 | CCCn1c(=O)c2[nH]c(-c3cc(C)n(CC(=O)Nc4ccc(I)cc4)n3)nc2n(CCC)c1=O | 10.1016/j.bmc.2007.11.058 | ||
| CHEMBL261027 | 96226 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 575 | 8 | 2 | 8 | 3.1 | CCCn1c(=O)c2[nH]c(-c3cc(C)n(CC(=O)Nc4ccc(I)cc4)n3)nc2n(CCC)c1=O | 10.1016/j.bmc.2007.11.058 | ||
| 176407 | 4117 | 84 | None | -34 | 6 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 337 | 5 | 3 | 9 | 1.7 | Oc1ccc(cc1)CCNc1nc(N)n2c(n1)nc(n2)c1ccco1 | 10.1016/j.ejmech.2015.12.019 | ||
| 405 | 4117 | 84 | None | -34 | 6 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 337 | 5 | 3 | 9 | 1.7 | Oc1ccc(cc1)CCNc1nc(N)n2c(n1)nc(n2)c1ccco1 | 10.1016/j.ejmech.2015.12.019 | ||
| CHEMBL113142 | 4117 | 84 | None | -34 | 6 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 337 | 5 | 3 | 9 | 1.7 | Oc1ccc(cc1)CCNc1nc(N)n2c(n1)nc(n2)c1ccco1 | 10.1016/j.ejmech.2015.12.019 | ||
| DB08770 | 4117 | 84 | None | -34 | 6 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 337 | 5 | 3 | 9 | 1.7 | Oc1ccc(cc1)CCNc1nc(N)n2c(n1)nc(n2)c1ccco1 | 10.1016/j.ejmech.2015.12.019 | ||
| 50925499 | 19204 | 0 | None | 3 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 523 | 9 | 2 | 5 | 5.9 | CC(C)(NC(=O)COc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccccc3)c2c1)c1ccccc1 | 10.1016/j.bmcl.2010.10.030 | ||
| CHEMBL1290101 | 19204 | 0 | None | 3 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 523 | 9 | 2 | 5 | 5.9 | CC(C)(NC(=O)COc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccccc3)c2c1)c1ccccc1 | 10.1016/j.bmcl.2010.10.030 | ||
| 52943652 | 19220 | 0 | None | 1 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 509 | 9 | 2 | 5 | 5.7 | C[C@H](NC(=O)COc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccccc3)c2c1)c1ccccc1 | 10.1016/j.bmcl.2010.10.030 | ||
| CHEMBL1290210 | 19220 | 0 | None | 1 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 509 | 9 | 2 | 5 | 5.7 | C[C@H](NC(=O)COc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccccc3)c2c1)c1ccccc1 | 10.1016/j.bmcl.2010.10.030 | ||
| 11589625 | 78218 | 0 | None | -1 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 410 | 7 | 1 | 7 | 2.8 | CCCn1c(=O)c2nc(-c3cnn(Cc4ccccc4F)c3)[nH]c2n(CCC)c1=O | 10.1021/jm051268+ | ||
| CHEMBL210649 | 78218 | 0 | None | -1 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 410 | 7 | 1 | 7 | 2.8 | CCCn1c(=O)c2nc(-c3cnn(Cc4ccccc4F)c3)[nH]c2n(CCC)c1=O | 10.1021/jm051268+ | ||
| 11677252 | 73833 | 0 | None | 10 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 475 | 10 | 2 | 7 | 3.1 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NCc4ccncc4)cc3)cc2n(CCC)c1=O | 10.1021/jm0506221 | ||
| CHEMBL201895 | 73833 | 0 | None | 10 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 475 | 10 | 2 | 7 | 3.1 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NCc4ccncc4)cc3)cc2n(CCC)c1=O | 10.1021/jm0506221 | ||
| 11386134 | 67439 | 0 | None | -1995 | 5 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 482 | 4 | 1 | 11 | 2.1 | Cn1nc(C(F)(F)F)c(CN2CCN(c3nc(N)n4nc(-c5ccco5)nc4n3)CC2)c1Cl | 10.1021/jm0498405 | ||
| CHEMBL189192 | 67439 | 0 | None | -1995 | 5 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 482 | 4 | 1 | 11 | 2.1 | Cn1nc(C(F)(F)F)c(CN2CCN(c3nc(N)n4nc(-c5ccco5)nc4n3)CC2)c1Cl | 10.1021/jm0498405 | ||
| 46233348 | 200275 | 0 | None | 6 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 364 | 5 | 0 | 7 | 2.1 | CCn1c(=O)c2c(nc(Cc3ccco3)n2C)n(Cc2ccccc2)c1=O | 10.1016/j.bmc.2010.01.028 | ||
| CHEMBL597355 | 200275 | 0 | None | 6 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 364 | 5 | 0 | 7 | 2.1 | CCn1c(=O)c2c(nc(Cc3ccco3)n2C)n(Cc2ccccc2)c1=O | 10.1016/j.bmc.2010.01.028 | ||
| 21874786 | 189815 | 0 | None | -93 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 306 | 3 | 1 | 7 | 2.4 | Cc1ccccc1Cn1nnc2c(-c3ccco3)nc(N)nc21 | 10.1021/jm800961g | ||
| CHEMBL516611 | 189815 | 0 | None | -93 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 306 | 3 | 1 | 7 | 2.4 | Cc1ccccc1Cn1nnc2c(-c3ccco3)nc(N)nc21 | 10.1021/jm800961g | ||
| 162676957 | 183512 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 306 | 4 | 2 | 4 | 2.7 | CC1=C(C(=O)OCC2CCC2)C(c2cccs2)NC(=O)N1 | 10.1021/acs.jmedchem.0c01431 | ||
| CHEMBL4800019 | 183512 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 306 | 4 | 2 | 4 | 2.7 | CC1=C(C(=O)OCC2CCC2)C(c2cccs2)NC(=O)N1 | 10.1021/acs.jmedchem.0c01431 | ||
| 10993916 | 57126 | 0 | None | -12 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 442 | 3 | 2 | 8 | 3.9 | Cn1cc2c(nc(NC(=O)Nc3ccc(C(F)(F)F)cc3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm0109614 | ||
| CHEMBL164686 | 57126 | 0 | None | -12 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 442 | 3 | 2 | 8 | 3.9 | Cn1cc2c(nc(NC(=O)Nc3ccc(C(F)(F)F)cc3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm0109614 | ||
| 750351 | 189278 | 13 | None | 5 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 271 | 1 | 2 | 5 | 0.9 | Cn1c(=O)c2[nH]c(-c3ccccc3)c(O)c2n(C)c1=O | 10.1016/j.bmc.2008.09.067 | ||
| CHEMBL512216 | 189278 | 13 | None | 5 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 271 | 1 | 2 | 5 | 0.9 | Cn1c(=O)c2[nH]c(-c3ccccc3)c(O)c2n(C)c1=O | 10.1016/j.bmc.2008.09.067 | ||
| 11660427 | 73369 | 0 | None | 6 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 357 | 5 | 1 | 7 | 1.2 | CCOC(=O)COc1ccc(-c2cc3c([nH]2)c(=O)n(C)c(=O)n3C)cc1 | 10.1021/jm0506221 | ||
| CHEMBL201548 | 73369 | 0 | None | 6 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 357 | 5 | 1 | 7 | 1.2 | CCOC(=O)COc1ccc(-c2cc3c([nH]2)c(=O)n(C)c(=O)n3C)cc1 | 10.1021/jm0506221 | ||
| 12391837 | 9696 | 1 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 299 | 2 | 1 | 6 | 0.7 | CN(C)c1ccc(-c2nc3c(=O)n(C)c(=O)n(C)c3[nH]2)cc1 | 10.1021/jm0104318 | ||
| CHEMBL11332 | 9696 | 1 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 299 | 2 | 1 | 6 | 0.7 | CN(C)c1ccc(-c2nc3c(=O)n(C)c(=O)n(C)c3[nH]2)cc1 | 10.1021/jm0104318 | ||
| 25027416 | 64449 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 281 | 2 | 2 | 4 | 2.8 | O=C(Nc1ccc(O)cc1)c1coc2ccccc2c1=O | 10.1016/j.ejmech.2012.05.033 | ||
| CHEMBL1814064 | 64449 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 281 | 2 | 2 | 4 | 2.8 | O=C(Nc1ccc(O)cc1)c1coc2ccccc2c1=O | 10.1016/j.ejmech.2012.05.033 | ||
| 44236566 | 158955 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 484 | 6 | 1 | 7 | 3.6 | CCCn1c(=O)c2[nH]c(-c3cnn(CC#Cc4ccccc4C(F)(F)F)c3)nc2n(CCC)c1=O | 10.1016/j.ejmech.2017.04.014 | ||
| CHEMBL4096238 | 158955 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 484 | 6 | 1 | 7 | 3.6 | CCCn1c(=O)c2[nH]c(-c3cnn(CC#Cc4ccccc4C(F)(F)F)c3)nc2n(CCC)c1=O | 10.1016/j.ejmech.2017.04.014 | ||
| 16070220 | 57994 | 0 | None | 3 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 307 | 4 | 1 | 6 | 2.5 | O=C(Nc1cnc(-c2ccncn2)c(-c2ccco2)n1)C1CC1 | 10.1021/ml100249e | ||
| CHEMBL1672626 | 57994 | 0 | None | 3 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 307 | 4 | 1 | 6 | 2.5 | O=C(Nc1cnc(-c2ccncn2)c(-c2ccco2)n1)C1CC1 | 10.1021/ml100249e | ||
| 11532717 | 77756 | 0 | None | 2 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 460 | 7 | 1 | 7 | 3.9 | CCCn1c(=O)c2nc(-c3cnn(Cc4cc(Cl)ccc4Cl)c3)[nH]c2n(CCC)c1=O | 10.1021/jm051268+ | ||
| CHEMBL209174 | 77756 | 0 | None | 2 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 460 | 7 | 1 | 7 | 3.9 | CCCn1c(=O)c2nc(-c3cnn(Cc4cc(Cl)ccc4Cl)c3)[nH]c2n(CCC)c1=O | 10.1021/jm051268+ | ||
| 155524137 | 170858 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 391 | 3 | 1 | 6 | 4.4 | CC1=C(C(=O)OC(C)C(F)(F)F)C(c2ccco2)n2c(nc3ccccc32)N1 | 10.1016/j.ejmech.2021.113907 | ||
| CHEMBL4454378 | 170858 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 391 | 3 | 1 | 6 | 4.4 | CC1=C(C(=O)OC(C)C(F)(F)F)C(c2ccco2)n2c(nc3ccccc32)N1 | 10.1016/j.ejmech.2021.113907 | ||
| 127030364 | 139114 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 353 | 3 | 1 | 6 | 4.3 | CC1=C(C(=O)OC(C)C)C(c2ccsc2)n2c(nc3ccccc32)N1 | 10.1021/acs.jmedchem.0c00564 | ||
| CHEMBL3787034 | 139114 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 353 | 3 | 1 | 6 | 4.3 | CC1=C(C(=O)OC(C)C)C(c2ccsc2)n2c(nc3ccccc32)N1 | 10.1021/acs.jmedchem.0c00564 | ||
| 127030364 | 139114 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 353 | 3 | 1 | 6 | 4.3 | CC1=C(C(=O)OC(C)C)C(c2ccsc2)n2c(nc3ccccc32)N1 | 10.1021/acs.jmedchem.5b01586 | ||
| CHEMBL3787034 | 139114 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 353 | 3 | 1 | 6 | 4.3 | CC1=C(C(=O)OC(C)C)C(c2ccsc2)n2c(nc3ccccc32)N1 | 10.1021/acs.jmedchem.5b01586 | ||
| 127030364 | 139114 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 353 | 3 | 1 | 6 | 4.3 | CC1=C(C(=O)OC(C)C)C(c2ccsc2)n2c(nc3ccccc32)N1 | 10.1021/acs.jmedchem.9b01340 | ||
| CHEMBL3787034 | 139114 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 353 | 3 | 1 | 6 | 4.3 | CC1=C(C(=O)OC(C)C)C(c2ccsc2)n2c(nc3ccccc32)N1 | 10.1021/acs.jmedchem.9b01340 | ||
| 156017721 | 177820 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 338 | 3 | 1 | 7 | 3.3 | CC1=C(C(=O)OC(C)C)C(c2cnoc2)n2c(nc3ccccc32)N1 | 10.1021/acs.jmedchem.0c00564 | ||
| CHEMBL4644103 | 177820 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 338 | 3 | 1 | 7 | 3.3 | CC1=C(C(=O)OC(C)C)C(c2cnoc2)n2c(nc3ccccc32)N1 | 10.1021/acs.jmedchem.0c00564 | ||
| 155524137 | 170858 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 391 | 3 | 1 | 6 | 4.4 | CC1=C(C(=O)OC(C)C(F)(F)F)C(c2ccco2)n2c(nc3ccccc32)N1 | 10.1021/acs.jmedchem.9b01340 | ||
| CHEMBL4454378 | 170858 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 391 | 3 | 1 | 6 | 4.4 | CC1=C(C(=O)OC(C)C(F)(F)F)C(c2ccco2)n2c(nc3ccccc32)N1 | 10.1021/acs.jmedchem.9b01340 | ||
| CHEMBL5082973 | 214811 | 0 | None | -1 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | None | None | None | N#Cc1c(-c2ccccc2)nc(Nc2ccccc2)nc1-c1cccnc1 | 10.1021/acs.jmedchem.1c01636 | ||||
| 127033325 | 138979 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 339 | 3 | 1 | 6 | 4.0 | CCOC(=O)C1=C(C)Nc2nc3ccccc3n2C1c1ccsc1 | 10.1021/acs.jmedchem.0c00564 | ||
| CHEMBL3785618 | 138979 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 339 | 3 | 1 | 6 | 4.0 | CCOC(=O)C1=C(C)Nc2nc3ccccc3n2C1c1ccsc1 | 10.1021/acs.jmedchem.0c00564 | ||
| 127033325 | 138979 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 339 | 3 | 1 | 6 | 4.0 | CCOC(=O)C1=C(C)Nc2nc3ccccc3n2C1c1ccsc1 | 10.1021/acs.jmedchem.5b01586 | ||
| CHEMBL3785618 | 138979 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 339 | 3 | 1 | 6 | 4.0 | CCOC(=O)C1=C(C)Nc2nc3ccccc3n2C1c1ccsc1 | 10.1021/acs.jmedchem.5b01586 | ||
| 127033325 | 138979 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 339 | 3 | 1 | 6 | 4.0 | CCOC(=O)C1=C(C)Nc2nc3ccccc3n2C1c1ccsc1 | 10.1021/acs.jmedchem.9b01340 | ||
| CHEMBL3785618 | 138979 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 339 | 3 | 1 | 6 | 4.0 | CCOC(=O)C1=C(C)Nc2nc3ccccc3n2C1c1ccsc1 | 10.1021/acs.jmedchem.9b01340 | ||
| 10046145 | 2665 | 18 | None | -575 | 6 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 394 | 7 | 1 | 8 | 1.1 | OCCCn1c(=O)n(CC#C)c(=O)c2c1nc(n2C)/C=C/c1cccc(c1)OC | 10.1021/jm4011669 | ||
| 5610 | 2665 | 18 | None | -575 | 6 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 394 | 7 | 1 | 8 | 1.1 | OCCCn1c(=O)n(CC#C)c(=O)c2c1nc(n2C)/C=C/c1cccc(c1)OC | 10.1021/jm4011669 | ||
| CHEMBL413079 | 2665 | 18 | None | -575 | 6 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 394 | 7 | 1 | 8 | 1.1 | OCCCn1c(=O)n(CC#C)c(=O)c2c1nc(n2C)/C=C/c1cccc(c1)OC | 10.1021/jm4011669 | ||
| 52946159 | 19261 | 0 | None | 4 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 493 | 9 | 2 | 4 | 5.7 | O=C(CCc1ccccc1)NCc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccccc3)c2c1 | 10.1016/j.bmcl.2010.10.030 | ||
| CHEMBL1290435 | 19261 | 0 | None | 4 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 493 | 9 | 2 | 4 | 5.7 | O=C(CCc1ccccc1)NCc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccccc3)c2c1 | 10.1016/j.bmcl.2010.10.030 | ||
| 11995649 | 141512 | 0 | None | -2 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 473 | 8 | 1 | 8 | 1.9 | CCCn1c(=O)c2nc([C@]34CC[C@](C(=O)N(C)CC(=O)OC)(CC3)CC4)[nH]c2n(CCC)c1=O | 10.1021/jm0605381 | ||
| CHEMBL384705 | 141512 | 0 | None | -2 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 473 | 8 | 1 | 8 | 1.9 | CCCn1c(=O)c2nc([C@]34CC[C@](C(=O)N(C)CC(=O)OC)(CC3)CC4)[nH]c2n(CCC)c1=O | 10.1021/jm0605381 | ||
| 44417669 | 141628 | 0 | None | -37 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 356 | 5 | 1 | 5 | 2.8 | CCCn1c(=O)c2nc(C34CC5CC(C3)C(C5)C4)[nH]c2n(CCC)c1=O | 10.1021/jm0605381 | ||
| CHEMBL385372 | 141628 | 0 | None | -37 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 356 | 5 | 1 | 5 | 2.8 | CCCn1c(=O)c2nc(C34CC5CC(C3)C(C5)C4)[nH]c2n(CCC)c1=O | 10.1021/jm0605381 | ||
| 11037972 | 57426 | 0 | None | -25 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 466 | 4 | 2 | 8 | 4.2 | CCn1cc2c(nc(NC(=O)Nc3ccc(Br)cc3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm0109614 | ||
| CHEMBL165600 | 57426 | 0 | None | -25 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 466 | 4 | 2 | 8 | 4.2 | CCn1cc2c(nc(NC(=O)Nc3ccc(Br)cc3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm0109614 | ||
| 5604 | 3343 | 35 | None | -1995 | 10 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 356 | 5 | 1 | 5 | 2.8 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C12CC3CC2CC(C1)C3 | 10.1016/j.ejmech.2019.111879 | ||
| 64627 | 3343 | 35 | None | -1995 | 10 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 356 | 5 | 1 | 5 | 2.8 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C12CC3CC2CC(C1)C3 | 10.1016/j.ejmech.2019.111879 | ||
| CHEMBL52333 | 3343 | 35 | None | -1995 | 10 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 356 | 5 | 1 | 5 | 2.8 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C12CC3CC2CC(C1)C3 | 10.1016/j.ejmech.2019.111879 | ||
| DB05360 | 3343 | 35 | None | -1995 | 10 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 356 | 5 | 1 | 5 | 2.8 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C12CC3CC2CC(C1)C3 | 10.1016/j.ejmech.2019.111879 | ||
| 18171064 | 103823 | 3 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 280 | 3 | 1 | 4 | 2.3 | CCOC(=O)C1=C(C)N(C)C(=O)NC1c1ccsc1 | 10.1021/ml400185v | ||
| CHEMBL3091706 | 103823 | 3 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 280 | 3 | 1 | 4 | 2.3 | CCOC(=O)C1=C(C)N(C)C(=O)NC1c1ccsc1 | 10.1021/ml400185v | ||
| 145979018 | 166598 | 0 | None | -1 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 609 | 15 | 1 | 11 | 2.2 | CCCCn1c(=O)c2c(nc3n2CCCN3CCc2ccc(OCC(=O)NCCN3CCOCC3)cc2)n(CCCC)c1=O | 10.1039/C8MD00070K | ||
| CHEMBL4280776 | 166598 | 0 | None | -1 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 609 | 15 | 1 | 11 | 2.2 | CCCCn1c(=O)c2c(nc3n2CCCN3CCc2ccc(OCC(=O)NCCN3CCOCC3)cc2)n(CCCC)c1=O | 10.1039/C8MD00070K | ||
| 57429618 | 159054 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 392 | 4 | 2 | 6 | 1.9 | CCCn1c(=O)[nH]c2nc(-c3cnn(CC#Cc4cccc(F)c4)c3)[nH]c2c1=O | 10.1016/j.ejmech.2017.04.014 | ||
| CHEMBL4097296 | 159054 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 392 | 4 | 2 | 6 | 1.9 | CCCn1c(=O)[nH]c2nc(-c3cnn(CC#Cc4cccc(F)c4)c3)[nH]c2c1=O | 10.1016/j.ejmech.2017.04.014 | ||
| 69029783 | 156303 | 0 | None | 3 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 570 | 9 | 1 | 8 | 4.2 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC4CC(=O)N(c5ccc(C(F)(F)F)cc5)C4)nc3)nc2n(CCC)c1=O | 10.1016/j.ejmech.2016.11.007 | ||
| CHEMBL4065717 | 156303 | 0 | None | 3 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 570 | 9 | 1 | 8 | 4.2 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC4CC(=O)N(c5ccc(C(F)(F)F)cc5)C4)nc3)nc2n(CCC)c1=O | 10.1016/j.ejmech.2016.11.007 | ||
| 44446477 | 155535 | 0 | None | 331 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 430 | 5 | 2 | 6 | 2.8 | O=c1[nH]c2nc(-c3cnn(Cc4cccc(C(F)(F)F)c4)c3)[nH]c2c(=O)n1CC1CC1 | 10.1016/j.bmcl.2008.01.008 | ||
| CHEMBL404349 | 155535 | 0 | None | 331 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 430 | 5 | 2 | 6 | 2.8 | O=c1[nH]c2nc(-c3cnn(Cc4cccc(C(F)(F)F)c4)c3)[nH]c2c(=O)n1CC1CC1 | 10.1016/j.bmcl.2008.01.008 | ||
| 44451330 | 96155 | 0 | None | 53 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 507 | 5 | 1 | 7 | 2.6 | Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(c5cccc(Cl)c5)CC4)cc3)cc2n(C)c1=O | 10.1016/j.bmc.2008.01.002 | ||
| CHEMBL260693 | 96155 | 0 | None | 53 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 507 | 5 | 1 | 7 | 2.6 | Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(c5cccc(Cl)c5)CC4)cc3)cc2n(C)c1=O | 10.1016/j.bmc.2008.01.002 | ||
| 11952564 | 6014 | 0 | None | 26 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 279 | 2 | 2 | 5 | 2.0 | O=c1[nH][nH]c2nc(-c3ccco3)c(-c3ccncn3)cc12 | 10.1016/j.bmcl.2010.01.077 | ||
| CHEMBL1080497 | 6014 | 0 | None | 26 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 279 | 2 | 2 | 5 | 2.0 | O=c1[nH][nH]c2nc(-c3ccco3)c(-c3ccncn3)cc12 | 10.1016/j.bmcl.2010.01.077 | ||
| 16072022 | 57983 | 0 | None | 5 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 320 | 4 | 1 | 5 | 3.5 | O=C(Nc1cnc(-c2ccncc2)c(-c2ccco2)n1)C1CCC1 | 10.1021/ml100249e | ||
| CHEMBL1672615 | 57983 | 0 | None | 5 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 320 | 4 | 1 | 5 | 3.5 | O=C(Nc1cnc(-c2ccncc2)c(-c2ccco2)n1)C1CCC1 | 10.1021/ml100249e | ||
| 45271361 | 195346 | 0 | None | 6 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 495 | 10 | 2 | 8 | 2.8 | CCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(F)cc4)cc3)nc2n(CCCOC)c1=O | 10.1016/j.bmc.2009.03.029 | ||
| CHEMBL551904 | 195346 | 0 | None | 6 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 495 | 10 | 2 | 8 | 2.8 | CCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(F)cc4)cc3)nc2n(CCCOC)c1=O | 10.1016/j.bmc.2009.03.029 | ||
| 45269707 | 196050 | 0 | None | 12 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 477 | 10 | 2 | 8 | 2.6 | CCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccccc4)cc3)nc2n(CCCOC)c1=O | 10.1016/j.bmc.2009.03.029 | ||
| CHEMBL560624 | 196050 | 0 | None | 12 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 477 | 10 | 2 | 8 | 2.6 | CCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccccc4)cc3)nc2n(CCCOC)c1=O | 10.1016/j.bmc.2009.03.029 | ||
| 11568001 | 72601 | 0 | None | 3 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 422 | 5 | 2 | 6 | 2.4 | Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(F)cc4)cc3)cc2n(C)c1=O | 10.1021/jm0506221 | ||
| CHEMBL199446 | 72601 | 0 | None | 3 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 422 | 5 | 2 | 6 | 2.4 | Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(F)cc4)cc3)cc2n(C)c1=O | 10.1021/jm0506221 | ||
| 44185936 | 185510 | 0 | None | 12 | 6 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 522 | 8 | 3 | 7 | 2.4 | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)NC4CCN(Cc5ccccc5)CC4)cc3)[nH]c2c1=O | 10.1021/jm900413e | ||
| CHEMBL486282 | 185510 | 0 | None | 12 | 6 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 522 | 8 | 3 | 7 | 2.4 | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)NC4CCN(Cc5ccccc5)CC4)cc3)[nH]c2c1=O | 10.1021/jm900413e | ||
| 449 | 2625 | 52 | None | -2 | 9 | Mouse | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 486 | 9 | 2 | 8 | 3.3 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)C#N | 10.1021/acs.jmedchem.9b00071 | ||
| 453 | 2625 | 52 | None | -2 | 9 | Mouse | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 486 | 9 | 2 | 8 | 3.3 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)C#N | 10.1021/acs.jmedchem.9b00071 | ||
| 6603931 | 2625 | 52 | None | -2 | 9 | Mouse | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 486 | 9 | 2 | 8 | 3.3 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)C#N | 10.1021/acs.jmedchem.9b00071 | ||
| CHEMBL273807 | 2625 | 52 | None | -2 | 9 | Mouse | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 486 | 9 | 2 | 8 | 3.3 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)C#N | 10.1021/acs.jmedchem.9b00071 | ||
| 11583705 | 73569 | 0 | None | 28 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 474 | 10 | 2 | 6 | 3.7 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NCc4ccccc4)cc3)cc2n(CCC)c1=O | 10.1021/jm0506221 | ||
| CHEMBL201773 | 73569 | 0 | None | 28 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 474 | 10 | 2 | 6 | 3.7 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NCc4ccccc4)cc3)cc2n(CCC)c1=O | 10.1021/jm0506221 | ||
| 11503616 | 74667 | 0 | None | 41 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 463 | 8 | 2 | 8 | 2.5 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(OC)nc4)cc3)cc2n(C)c1=O | 10.1021/jm0506221 | ||
| CHEMBL203037 | 74667 | 0 | None | 41 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 463 | 8 | 2 | 8 | 2.5 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(OC)nc4)cc3)cc2n(C)c1=O | 10.1021/jm0506221 | ||
| 9912816 | 98406 | 0 | None | 1 | 6 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 475 | 10 | 2 | 7 | 3.1 | CCCn1c(=O)c2nc(-c3ccc(OCC(=O)NCc4ccccc4)cc3)[nH]c2n(CCC)c1=O | 10.1021/jm0506221 | ||
| CHEMBL275605 | 98406 | 0 | None | 1 | 6 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 475 | 10 | 2 | 7 | 3.1 | CCCn1c(=O)c2nc(-c3ccc(OCC(=O)NCc4ccccc4)cc3)[nH]c2n(CCC)c1=O | 10.1021/jm0506221 | ||
| 11511593 | 141126 | 0 | None | 10 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 494 | 9 | 2 | 6 | 4.6 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(Cl)cc4)cc3)cc2n(CCC)c1=O | 10.1021/jm0506221 | ||
| CHEMBL382764 | 141126 | 0 | None | 10 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 494 | 9 | 2 | 6 | 4.6 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(Cl)cc4)cc3)cc2n(CCC)c1=O | 10.1021/jm0506221 | ||
| 44574168 | 178710 | 0 | None | 5 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 394 | 4 | 2 | 7 | 2.6 | Cn1c(=O)c2[nH]c(-c3ccc(COC(=O)Nc4ccco4)cc3)cc2n(C)c1=O | 10.1016/j.bmc.2009.03.062 | ||
| CHEMBL468506 | 178710 | 0 | None | 5 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 394 | 4 | 2 | 7 | 2.6 | Cn1c(=O)c2[nH]c(-c3ccc(COC(=O)Nc4ccco4)cc3)cc2n(C)c1=O | 10.1016/j.bmc.2009.03.062 | ||
| 155531727 | 171642 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 512 | 6 | 2 | 7 | 2.1 | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(c5ccccc5F)CC4)cc3)[nH]c2c1=O | 10.1021/acs.jmedchem.9b00071 | ||
| CHEMBL4466211 | 171642 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 512 | 6 | 2 | 7 | 2.1 | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(c5ccccc5F)CC4)cc3)[nH]c2c1=O | 10.1021/acs.jmedchem.9b00071 | ||
| 11627336 | 140348 | 0 | None | 18 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 492 | 9 | 2 | 6 | 4.5 | CCCn1c(=O)c2[nH]c(-c3ccc(OC(C)C(=O)Nc4ccc(F)cc4)cc3)cc2n(CCC)c1=O | 10.1021/jm0506221 | ||
| CHEMBL380847 | 140348 | 0 | None | 18 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 492 | 9 | 2 | 6 | 4.5 | CCCn1c(=O)c2[nH]c(-c3ccc(OC(C)C(=O)Nc4ccc(F)cc4)cc3)cc2n(CCC)c1=O | 10.1021/jm0506221 | ||
| 168287172 | 191626 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 369 | 6 | 1 | 7 | 3.1 | CCCn1c(=O)c2[nH]c(-c3ccc(N=C=S)cc3)nc2n(CCC)c1=O | 10.1039/d2md00132b | ||
| CHEMBL5196082 | 191626 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 369 | 6 | 1 | 7 | 3.1 | CCCn1c(=O)c2[nH]c(-c3ccc(N=C=S)cc3)nc2n(CCC)c1=O | 10.1039/d2md00132b | ||
| 145970075 | 164779 | 0 | None | 8 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 475 | 11 | 3 | 6 | 3.0 | CCCn1c(=O)[nH]c2nc(-c3ccc(OCC(=O)NCCCCc4ccccc4)cc3)[nH]c2c1=O | 10.1021/acs.jmedchem.7b01627 | ||
| CHEMBL4218460 | 164779 | 0 | None | 8 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 475 | 11 | 3 | 6 | 3.0 | CCCn1c(=O)[nH]c2nc(-c3ccc(OCC(=O)NCCCCc4ccccc4)cc3)[nH]c2c1=O | 10.1021/acs.jmedchem.7b01627 | ||
| 11677313 | 73266 | 0 | None | 3 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 478 | 9 | 2 | 6 | 4.1 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(F)cc4)cc3)cc2n(CCC)c1=O | 10.1021/jm0506221 | ||
| CHEMBL201281 | 73266 | 0 | None | 3 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 478 | 9 | 2 | 6 | 4.1 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(F)cc4)cc3)cc2n(CCC)c1=O | 10.1021/jm0506221 | ||
| 44451306 | 96236 | 0 | None | 117 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 507 | 5 | 1 | 7 | 2.6 | Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(c5ccc(Cl)cc5)CC4)cc3)cc2n(C)c1=O | 10.1016/j.bmc.2008.01.002 | ||
| CHEMBL261056 | 96236 | 0 | None | 117 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 507 | 5 | 1 | 7 | 2.6 | Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(c5ccc(Cl)cc5)CC4)cc3)cc2n(C)c1=O | 10.1016/j.bmc.2008.01.002 | ||
| 449 | 2625 | 52 | None | -2 | 9 | Mouse | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 486 | 9 | 2 | 8 | 3.3 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)C#N | 10.1021/jm900413e | ||
| 453 | 2625 | 52 | None | -2 | 9 | Mouse | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 486 | 9 | 2 | 8 | 3.3 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)C#N | 10.1021/jm900413e | ||
| 6603931 | 2625 | 52 | None | -2 | 9 | Mouse | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 486 | 9 | 2 | 8 | 3.3 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)C#N | 10.1021/jm900413e | ||
| CHEMBL273807 | 2625 | 52 | None | -2 | 9 | Mouse | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 486 | 9 | 2 | 8 | 3.3 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)C#N | 10.1021/jm900413e | ||
| 11642035 | 73515 | 0 | None | 7 | 5 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 512 | 6 | 2 | 7 | 3.0 | COc1cc(OCC(=O)Nc2ccc(Br)cc2)ccc1-c1cc2c([nH]1)c(=O)n(C)c(=O)n2C | 10.1021/jm0506221 | ||
| CHEMBL201750 | 73515 | 0 | None | 7 | 5 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 512 | 6 | 2 | 7 | 3.0 | COc1cc(OCC(=O)Nc2ccc(Br)cc2)ccc1-c1cc2c([nH]1)c(=O)n(C)c(=O)n2C | 10.1021/jm0506221 | ||
| 11642035 | 73515 | 0 | None | 7 | 5 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 512 | 6 | 2 | 7 | 3.0 | COc1cc(OCC(=O)Nc2ccc(Br)cc2)ccc1-c1cc2c([nH]1)c(=O)n(C)c(=O)n2C | 10.1016/j.bmc.2008.01.002 | ||
| CHEMBL201750 | 73515 | 0 | None | 7 | 5 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 512 | 6 | 2 | 7 | 3.0 | COc1cc(OCC(=O)Nc2ccc(Br)cc2)ccc1-c1cc2c([nH]1)c(=O)n(C)c(=O)n2C | 10.1016/j.bmc.2008.01.002 | ||
| 44451305 | 160321 | 0 | None | 33 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 551 | 5 | 1 | 7 | 2.7 | Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(c5ccc(Br)cc5)CC4)cc3)cc2n(C)c1=O | 10.1016/j.bmc.2008.01.002 | ||
| CHEMBL411075 | 160321 | 0 | None | 33 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 551 | 5 | 1 | 7 | 2.7 | Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(c5ccc(Br)cc5)CC4)cc3)cc2n(C)c1=O | 10.1016/j.bmc.2008.01.002 | ||
| 11223 | 2064 | 24 | None | -1 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 337 | 3 | 1 | 6 | 3.9 | CC(OC(=O)C1=C(C)Nc2n(C1c1ccco1)c1ccccc1n2)C | 10.1021/acs.jmedchem.0c00564 | ||
| 17198004 | 2064 | 24 | None | -1 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 337 | 3 | 1 | 6 | 3.9 | CC(OC(=O)C1=C(C)Nc2n(C1c1ccco1)c1ccccc1n2)C | 10.1021/acs.jmedchem.0c00564 | ||
| CHEMBL3787197 | 2064 | 24 | None | -1 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 337 | 3 | 1 | 6 | 3.9 | CC(OC(=O)C1=C(C)Nc2n(C1c1ccco1)c1ccccc1n2)C | 10.1021/acs.jmedchem.0c00564 | ||
| 11223 | 2064 | 24 | None | -1 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 337 | 3 | 1 | 6 | 3.9 | CC(OC(=O)C1=C(C)Nc2n(C1c1ccco1)c1ccccc1n2)C | 10.1021/acs.jmedchem.5b01586 | ||
| 17198004 | 2064 | 24 | None | -1 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 337 | 3 | 1 | 6 | 3.9 | CC(OC(=O)C1=C(C)Nc2n(C1c1ccco1)c1ccccc1n2)C | 10.1021/acs.jmedchem.5b01586 | ||
| CHEMBL3787197 | 2064 | 24 | None | -1 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 337 | 3 | 1 | 6 | 3.9 | CC(OC(=O)C1=C(C)Nc2n(C1c1ccco1)c1ccccc1n2)C | 10.1021/acs.jmedchem.5b01586 | ||
| 11223 | 2064 | 24 | None | -1 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 337 | 3 | 1 | 6 | 3.9 | CC(OC(=O)C1=C(C)Nc2n(C1c1ccco1)c1ccccc1n2)C | 10.1021/acs.jmedchem.0c01431 | ||
| 17198004 | 2064 | 24 | None | -1 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 337 | 3 | 1 | 6 | 3.9 | CC(OC(=O)C1=C(C)Nc2n(C1c1ccco1)c1ccccc1n2)C | 10.1021/acs.jmedchem.0c01431 | ||
| CHEMBL3787197 | 2064 | 24 | None | -1 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 337 | 3 | 1 | 6 | 3.9 | CC(OC(=O)C1=C(C)Nc2n(C1c1ccco1)c1ccccc1n2)C | 10.1021/acs.jmedchem.0c01431 | ||
| 11223 | 2064 | 24 | None | -1 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 337 | 3 | 1 | 6 | 3.9 | CC(OC(=O)C1=C(C)Nc2n(C1c1ccco1)c1ccccc1n2)C | 10.1021/acs.jmedchem.9b01340 | ||
| 17198004 | 2064 | 24 | None | -1 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 337 | 3 | 1 | 6 | 3.9 | CC(OC(=O)C1=C(C)Nc2n(C1c1ccco1)c1ccccc1n2)C | 10.1021/acs.jmedchem.9b01340 | ||
| CHEMBL3787197 | 2064 | 24 | None | -1 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 337 | 3 | 1 | 6 | 3.9 | CC(OC(=O)C1=C(C)Nc2n(C1c1ccco1)c1ccccc1n2)C | 10.1021/acs.jmedchem.9b01340 | ||
| 57429605 | 157159 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 488 | 8 | 1 | 9 | 2.8 | CCCn1c(=O)c2[nH]c(-c3cnn(CC#Cc4ccc(C(=O)OCC)cc4)c3)nc2n(CCC)c1=O | 10.1016/j.ejmech.2017.04.014 | ||
| CHEMBL4075650 | 157159 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 488 | 8 | 1 | 9 | 2.8 | CCCn1c(=O)c2[nH]c(-c3cnn(CC#Cc4ccc(C(=O)OCC)cc4)c3)nc2n(CCC)c1=O | 10.1016/j.ejmech.2017.04.014 | ||
| 16072020 | 57981 | 0 | None | 12 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 294 | 4 | 1 | 5 | 3.1 | CCC(=O)Nc1cnc(-c2ccncc2)c(-c2ccco2)n1 | 10.1021/ml100249e | ||
| CHEMBL1672613 | 57981 | 0 | None | 12 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 294 | 4 | 1 | 5 | 3.1 | CCC(=O)Nc1cnc(-c2ccncc2)c(-c2ccco2)n1 | 10.1021/ml100249e | ||
| 136042339 | 71136 | 0 | None | 19 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 483 | 8 | 2 | 9 | 3.5 | CCCn1c(=O)c2[nH]c(-c3cc(OCc4nc5cc(Cl)ccc5[nH]4)no3)nc2n(CCC)c1=O | 10.1021/jm201292w | ||
| CHEMBL1955915 | 71136 | 0 | None | 19 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 483 | 8 | 2 | 9 | 3.5 | CCCn1c(=O)c2[nH]c(-c3cc(OCc4nc5cc(Cl)ccc5[nH]4)no3)nc2n(CCC)c1=O | 10.1021/jm201292w | ||
| 11590411 | 169067 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 446 | 6 | 2 | 7 | 2.5 | CC(=O)c1ccc(NC(=O)COc2ccc(-c3cc4c([nH]3)c(=O)n(C)c(=O)n4C)cc2)cc1 | 10.1021/jm0506221 | ||
| CHEMBL439868 | 169067 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 446 | 6 | 2 | 7 | 2.5 | CC(=O)c1ccc(NC(=O)COc2ccc(-c3cc4c([nH]3)c(=O)n(C)c(=O)n4C)cc2)cc1 | 10.1021/jm0506221 | ||
| 46837705 | 10592 | 0 | None | -2 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 496 | 7 | 3 | 5 | 3.9 | CCCn1c(=O)[nH]c2cc(-c3ccc(OCC(=O)Nc4ccc(Br)cc4)cc3)[nH]c2c1=O | 10.1016/j.ejmech.2010.03.011 | ||
| CHEMBL1170167 | 10592 | 0 | None | -2 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 496 | 7 | 3 | 5 | 3.9 | CCCn1c(=O)[nH]c2cc(-c3ccc(OCC(=O)Nc4ccc(Br)cc4)cc3)[nH]c2c1=O | 10.1016/j.ejmech.2010.03.011 | ||
| 155549264 | 173796 | 0 | None | 26 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 544 | 6 | 3 | 8 | 2.4 | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(c5ccc(O)c(Cl)c5)CC4)cc3)[nH]c2c1=O | 10.1021/acs.jmedchem.9b00071 | ||
| CHEMBL4538468 | 173796 | 0 | None | 26 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 544 | 6 | 3 | 8 | 2.4 | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(c5ccc(O)c(Cl)c5)CC4)cc3)[nH]c2c1=O | 10.1021/acs.jmedchem.9b00071 | ||
| 11605883 | 79923 | 6 | None | 42 | 6 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 508 | 7 | 2 | 7 | 2.0 | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccccc5)CC4)cc3)[nH]c2c1=O | 10.1021/jm900413e | ||
| CHEMBL212625 | 79923 | 6 | None | 42 | 6 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 508 | 7 | 2 | 7 | 2.0 | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccccc5)CC4)cc3)[nH]c2c1=O | 10.1021/jm900413e | ||
| 57429602 | 157215 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 500 | 7 | 1 | 8 | 3.5 | CCCn1c(=O)c2[nH]c(-c3cnn(CC#Cc4cccc(OC(F)(F)F)c4)c3)nc2n(CCC)c1=O | 10.1016/j.ejmech.2017.04.014 | ||
| CHEMBL4076435 | 157215 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 500 | 7 | 1 | 8 | 3.5 | CCCn1c(=O)c2[nH]c(-c3cnn(CC#Cc4cccc(OC(F)(F)F)c4)c3)nc2n(CCC)c1=O | 10.1016/j.ejmech.2017.04.014 | ||
| 57988777 | 157067 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 529 | 8 | 1 | 8 | 4.1 | CCCn1c(=O)c2[nH]c(-c3cnn(CC4CCN(c5cccc(C(F)(F)F)c5)C4)c3)nc2n(CCC)c1=O | 10.1016/j.ejmech.2016.11.007 | ||
| CHEMBL4074412 | 157067 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 529 | 8 | 1 | 8 | 4.1 | CCCn1c(=O)c2[nH]c(-c3cnn(CC4CCN(c5cccc(C(F)(F)F)c5)C4)c3)nc2n(CCC)c1=O | 10.1016/j.ejmech.2016.11.007 | ||
| 50940969 | 57221 | 0 | None | 1 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 363 | 6 | 1 | 5 | 4.2 | CCC(=O)Nc1cc(-c2ccc(OC)cc2)nc(-c2ccc(OC)cc2)n1 | 10.1021/acsmedchemlett.1c00598 | ||
| CHEMBL1650356 | 57221 | 0 | None | 1 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 363 | 6 | 1 | 5 | 4.2 | CCC(=O)Nc1cc(-c2ccc(OC)cc2)nc(-c2ccc(OC)cc2)n1 | 10.1021/acsmedchemlett.1c00598 | ||
| 11605883 | 79923 | 6 | None | 42 | 6 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 508 | 7 | 2 | 7 | 2.0 | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccccc5)CC4)cc3)[nH]c2c1=O | 10.1021/jm060277v | ||
| CHEMBL212625 | 79923 | 6 | None | 42 | 6 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 508 | 7 | 2 | 7 | 2.0 | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccccc5)CC4)cc3)[nH]c2c1=O | 10.1021/jm060277v | ||
| 11525283 | 79636 | 0 | None | 2 | 5 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 453 | 8 | 3 | 6 | 2.0 | CCCn1c(=O)[nH]c2[nH]c(-c3ccc(S(=O)(=O)NCCc4ccccc4)cc3)nc2c1=O | 10.1021/jm060277v | ||
| CHEMBL211521 | 79636 | 0 | None | 2 | 5 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 453 | 8 | 3 | 6 | 2.0 | CCCn1c(=O)[nH]c2[nH]c(-c3ccc(S(=O)(=O)NCCc4ccccc4)cc3)nc2c1=O | 10.1021/jm060277v | ||
| 44451303 | 169130 | 0 | None | 50 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 564 | 5 | 1 | 9 | 3.2 | Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(c5nc6cc(Cl)ccc6s5)CC4)cc3)cc2n(C)c1=O | 10.1016/j.bmc.2008.01.002 | ||
| CHEMBL440418 | 169130 | 0 | None | 50 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 564 | 5 | 1 | 9 | 3.2 | Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(c5nc6cc(Cl)ccc6s5)CC4)cc3)cc2n(C)c1=O | 10.1016/j.bmc.2008.01.002 | ||
| 156019075 | 177857 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 324 | 3 | 1 | 7 | 2.9 | CCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1cocn1 | 10.1021/acs.jmedchem.0c00564 | ||
| CHEMBL4644677 | 177857 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 324 | 3 | 1 | 7 | 2.9 | CCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1cocn1 | 10.1021/acs.jmedchem.0c00564 | ||
| 57429607 | 159718 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 441 | 6 | 1 | 8 | 2.5 | CCCn1c(=O)c2[nH]c(-c3cnn(CC#Cc4cccc(C#N)c4)c3)nc2n(CCC)c1=O | 10.1016/j.ejmech.2017.04.014 | ||
| CHEMBL4104876 | 159718 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 441 | 6 | 1 | 8 | 2.5 | CCCn1c(=O)c2[nH]c(-c3cnn(CC#Cc4cccc(C#N)c4)c3)nc2n(CCC)c1=O | 10.1016/j.ejmech.2017.04.014 | ||
| 10926422 | 99616 | 0 | None | 4 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 358 | 6 | 2 | 7 | 1.0 | CCCn1c(=O)[nH]c2[nH]c(-c3ccc(OCC(=O)OC)cc3)nc2c1=O | 10.1021/jm011049y | ||
| CHEMBL284288 | 99616 | 0 | None | 4 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 358 | 6 | 2 | 7 | 1.0 | CCCn1c(=O)[nH]c2[nH]c(-c3ccc(OCC(=O)OC)cc3)nc2c1=O | 10.1021/jm011049y | ||
| 456 | 348 | 59 | None | 15 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 214 | 0 | 2 | 4 | 0.2 | O=c1[nH]c2nc3ccccc3nc2c(=O)[nH]1 | 10.1021/jm058018d | ||
| 5372720 | 348 | 59 | None | 15 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 214 | 0 | 2 | 4 | 0.2 | O=c1[nH]c2nc3ccccc3nc2c(=O)[nH]1 | 10.1021/jm058018d | ||
| CHEMBL68500 | 348 | 59 | None | 15 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 214 | 0 | 2 | 4 | 0.2 | O=c1[nH]c2nc3ccccc3nc2c(=O)[nH]1 | 10.1021/jm058018d | ||
| 11143648 | 154827 | 0 | None | 1 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 390 | 5 | 1 | 5 | 3.1 | CCCn1c(=O)c2nc(-c3ccc(Br)cc3)[nH]c2n(CCC)c1=O | 10.1021/jm011049y | ||
| CHEMBL40055 | 154827 | 0 | None | 1 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 390 | 5 | 1 | 5 | 3.1 | CCCn1c(=O)c2nc(-c3ccc(Br)cc3)[nH]c2n(CCC)c1=O | 10.1021/jm011049y | ||
| 11640539 | 140874 | 0 | None | -1 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 429 | 5 | 2 | 7 | 2.1 | Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(C#N)cc4)cc3)cc2n(C)c1=O | 10.1021/jm0506221 | ||
| CHEMBL382135 | 140874 | 0 | None | -1 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 429 | 5 | 2 | 7 | 2.1 | Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(C#N)cc4)cc3)cc2n(C)c1=O | 10.1021/jm0506221 | ||
| 11618962 | 72612 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 436 | 5 | 2 | 6 | 2.8 | CC(Oc1ccc(-c2cc3c([nH]2)c(=O)n(C)c(=O)n3C)cc1)C(=O)Nc1ccc(F)cc1 | 10.1021/jm0506221 | ||
| CHEMBL199486 | 72612 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 436 | 5 | 2 | 6 | 2.8 | CC(Oc1ccc(-c2cc3c([nH]2)c(=O)n(C)c(=O)n3C)cc1)C(=O)Nc1ccc(F)cc1 | 10.1021/jm0506221 | ||
| 10917575 | 81115 | 0 | None | -7 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 463 | 5 | 1 | 11 | 2.9 | CSc1c2c(nc(NC(=O)Cc3ccc4c(c3)OCO4)n3nc(-c4ccco4)nc23)nn1C | 10.1021/jm021023m | ||
| CHEMBL21572 | 81115 | 0 | None | -7 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 463 | 5 | 1 | 11 | 2.9 | CSc1c2c(nc(NC(=O)Cc3ccc4c(c3)OCO4)n3nc(-c4ccco4)nc23)nn1C | 10.1021/jm021023m | ||
| 21958745 | 94702 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 432 | 6 | 2 | 6 | 3.1 | CCCCn1c(=O)[nH]c2nc(-c3cnn(Cc4cccc(C(F)(F)F)c4)c3)[nH]c2c1=O | 10.1016/j.bmcl.2008.01.008 | ||
| CHEMBL253049 | 94702 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 432 | 6 | 2 | 6 | 3.1 | CCCCn1c(=O)[nH]c2nc(-c3cnn(Cc4cccc(C(F)(F)F)c4)c3)[nH]c2c1=O | 10.1016/j.bmcl.2008.01.008 | ||
| 10225178 | 32907 | 0 | None | -5 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 438 | 3 | 2 | 6 | 5.5 | O=C(Nc1cccc(Cl)c1)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12 | 10.1021/jm001047y | ||
| CHEMBL141550 | 32907 | 0 | None | -5 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 438 | 3 | 2 | 6 | 5.5 | O=C(Nc1cccc(Cl)c1)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12 | 10.1021/jm001047y | ||
| 10225178 | 32907 | 0 | None | -5 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 438 | 3 | 2 | 6 | 5.5 | O=C(Nc1cccc(Cl)c1)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12 | 10.1021/jm0109614 | ||
| CHEMBL141550 | 32907 | 0 | None | -5 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 438 | 3 | 2 | 6 | 5.5 | O=C(Nc1cccc(Cl)c1)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12 | 10.1021/jm0109614 | ||
| 11762982 | 26173 | 0 | None | 1 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 513 | 7 | 1 | 8 | 5.3 | O=C(Cc1cccc2ccccc12)Nc1nc2nn(CCc3ccccc3)cc2c2nc(-c3ccco3)nn12 | 10.1021/jm030852k | ||
| CHEMBL135719 | 26173 | 0 | None | 1 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 513 | 7 | 1 | 8 | 5.3 | O=C(Cc1cccc2ccccc12)Nc1nc2nn(CCc3ccccc3)cc2c2nc(-c3ccco3)nn12 | 10.1021/jm030852k | ||
| 46880470 | 6044 | 0 | None | 20 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 306 | 4 | 1 | 5 | 3.1 | O=C(Nc1ccc(-c2ccncc2)c(-c2cnco2)n1)C1CC1 | 10.1016/j.bmcl.2010.01.045 | ||
| CHEMBL1080676 | 6044 | 0 | None | 20 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 306 | 4 | 1 | 5 | 3.1 | O=C(Nc1ccc(-c2ccncc2)c(-c2cnco2)n1)C1CC1 | 10.1016/j.bmcl.2010.01.045 | ||
| 46880506 | 6353 | 0 | None | 1 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 307 | 3 | 1 | 3 | 3.9 | CC(=O)Nc1ccc(-c2ccncc2)c(-c2cccc(F)c2)n1 | 10.1016/j.bmcl.2010.01.045 | ||
| CHEMBL1082208 | 6353 | 0 | None | 1 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 307 | 3 | 1 | 3 | 3.9 | CC(=O)Nc1ccc(-c2ccncc2)c(-c2cccc(F)c2)n1 | 10.1016/j.bmcl.2010.01.045 | ||
| 136042349 | 71120 | 0 | None | 21 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 480 | 8 | 2 | 9 | 2.7 | CCCn1c(=O)c2[nH]c(-c3cc(OCc4nc5cc(F)ccc5[nH]4)nn3C)nc2n(CCC)c1=O | 10.1021/jm201292w | ||
| CHEMBL1955898 | 71120 | 0 | None | 21 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 480 | 8 | 2 | 9 | 2.7 | CCCn1c(=O)c2[nH]c(-c3cc(OCc4nc5cc(F)ccc5[nH]4)nn3C)nc2n(CCC)c1=O | 10.1021/jm201292w | ||
| 2690 | 900 | 66 | None | -30 | 9 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 285 | 1 | 1 | 6 | 2.8 | Clc1ccc2c(c1)c1nc(nn1c(n2)N)c1ccco1 | 10.1021/jm900413e | ||
| 384 | 900 | 66 | None | -30 | 9 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 285 | 1 | 1 | 6 | 2.8 | Clc1ccc2c(c1)c1nc(nn1c(n2)N)c1ccco1 | 10.1021/jm900413e | ||
| CHEMBL16687 | 900 | 66 | None | -30 | 9 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 285 | 1 | 1 | 6 | 2.8 | Clc1ccc2c(c1)c1nc(nn1c(n2)N)c1ccco1 | 10.1021/jm900413e | ||
| 21958724 | 96172 | 0 | None | 8 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 378 | 6 | 1 | 7 | 2.1 | CCCCn1c(=O)c2[nH]c(-c3cnn(Cc4ccccc4)c3)nc2n(C)c1=O | 10.1021/jm7014815 | ||
| CHEMBL260763 | 96172 | 0 | None | 8 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 378 | 6 | 1 | 7 | 2.1 | CCCCn1c(=O)c2[nH]c(-c3cnn(Cc4ccccc4)c3)nc2n(C)c1=O | 10.1021/jm7014815 | ||
| 176407 | 4117 | 84 | None | -34 | 6 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 337 | 5 | 3 | 9 | 1.7 | Oc1ccc(cc1)CCNc1nc(N)n2c(n1)nc(n2)c1ccco1 | 10.1021/jm0498405 | ||
| 405 | 4117 | 84 | None | -34 | 6 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 337 | 5 | 3 | 9 | 1.7 | Oc1ccc(cc1)CCNc1nc(N)n2c(n1)nc(n2)c1ccco1 | 10.1021/jm0498405 | ||
| CHEMBL113142 | 4117 | 84 | None | -34 | 6 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 337 | 5 | 3 | 9 | 1.7 | Oc1ccc(cc1)CCNc1nc(N)n2c(n1)nc(n2)c1ccco1 | 10.1021/jm0498405 | ||
| DB08770 | 4117 | 84 | None | -34 | 6 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 337 | 5 | 3 | 9 | 1.7 | Oc1ccc(cc1)CCNc1nc(N)n2c(n1)nc(n2)c1ccco1 | 10.1021/jm0498405 | ||
| 44450903 | 96067 | 0 | None | 28 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 532 | 7 | 1 | 8 | 3.0 | COc1ccc(C2CCN(C(=O)COc3ccc(-c4cc5c([nH]4)c(=O)n(C)c(=O)n5C)cc3OC)CC2)cc1 | 10.1016/j.bmc.2008.01.002 | ||
| CHEMBL260179 | 96067 | 0 | None | 28 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 532 | 7 | 1 | 8 | 3.0 | COc1ccc(C2CCN(C(=O)COc3ccc(-c4cc5c([nH]4)c(=O)n(C)c(=O)n5C)cc3OC)CC2)cc1 | 10.1016/j.bmc.2008.01.002 | ||
| 46837839 | 10724 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 464 | 7 | 1 | 7 | 3.3 | CCCn1c(=O)c2c(cc(-c3ccc(OCC(=O)Nc4ccc(F)cc4)cc3)n2C)n(C)c1=O | 10.1016/j.ejmech.2010.03.011 | ||
| CHEMBL1171380 | 10724 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 464 | 7 | 1 | 7 | 3.3 | CCCn1c(=O)c2c(cc(-c3ccc(OCC(=O)Nc4ccc(F)cc4)cc3)n2C)n(C)c1=O | 10.1016/j.ejmech.2010.03.011 | ||
| 16109435 | 2364 | 10 | None | -338 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 353 | 3 | 1 | 2 | 6.3 | C1CCC(CC1)c1nc2c([nH]1)nc(cc2c1ccccc1)c1ccccc1 | 10.1021/jm0607956 | ||
| 5607 | 2364 | 10 | None | -338 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 353 | 3 | 1 | 2 | 6.3 | C1CCC(CC1)c1nc2c([nH]1)nc(cc2c1ccccc1)c1ccccc1 | 10.1021/jm0607956 | ||
| CHEMBL219160 | 2364 | 10 | None | -338 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 353 | 3 | 1 | 2 | 6.3 | C1CCC(CC1)c1nc2c([nH]1)nc(cc2c1ccccc1)c1ccccc1 | 10.1021/jm0607956 | ||
| 16109430 | 83391 | 1 | None | -489 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 339 | 3 | 1 | 2 | 6.0 | c1ccc(-c2cc(-c3ccccc3)c3nc(C4CCCC4)[nH]c3n2)cc1 | 10.1021/jm0607956 | ||
| CHEMBL219625 | 83391 | 1 | None | -489 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 339 | 3 | 1 | 2 | 6.0 | c1ccc(-c2cc(-c3ccccc3)c3nc(C4CCCC4)[nH]c3n2)cc1 | 10.1021/jm0607956 | ||
| 16109428 | 84251 | 1 | None | -489 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 313 | 3 | 1 | 2 | 5.4 | CC(C)c1nc2c(-c3ccccc3)cc(-c3ccccc3)nc2[nH]1 | 10.1021/jm0607956 | ||
| CHEMBL221343 | 84251 | 1 | None | -489 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 313 | 3 | 1 | 2 | 5.4 | CC(C)c1nc2c(-c3ccccc3)cc(-c3ccccc3)nc2[nH]1 | 10.1021/jm0607956 | ||
| 44418996 | 84276 | 1 | None | -549 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 327 | 4 | 1 | 2 | 5.5 | CC(C)Cc1nc2c(-c3ccccc3)cc(-c3ccccc3)nc2[nH]1 | 10.1021/jm0607956 | ||
| CHEMBL221486 | 84276 | 1 | None | -549 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 327 | 4 | 1 | 2 | 5.5 | CC(C)Cc1nc2c(-c3ccccc3)cc(-c3ccccc3)nc2[nH]1 | 10.1021/jm0607956 | ||
| 16109429 | 141583 | 1 | None | -346 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 341 | 5 | 1 | 2 | 6.2 | CCC(CC)c1nc2c(-c3ccccc3)cc(-c3ccccc3)nc2[nH]1 | 10.1021/jm0607956 | ||
| CHEMBL385109 | 141583 | 1 | None | -346 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 341 | 5 | 1 | 2 | 6.2 | CCC(CC)c1nc2c(-c3ccccc3)cc(-c3ccccc3)nc2[nH]1 | 10.1021/jm0607956 | ||
| 11533237 | 77667 | 0 | None | 10 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 488 | 7 | 1 | 7 | 4.1 | CC(C)Cn1c(=O)c2nc(-c3cnn(Cc4cccc(C(F)(F)F)c4)c3)[nH]c2n(CC(C)C)c1=O | 10.1021/jm051268+ | ||
| CHEMBL208920 | 77667 | 0 | None | 10 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 488 | 7 | 1 | 7 | 4.1 | CC(C)Cn1c(=O)c2nc(-c3cnn(Cc4cccc(C(F)(F)F)c4)c3)[nH]c2n(CC(C)C)c1=O | 10.1021/jm051268+ | ||
| 135401232 | 3184 | 5 | None | -24547 | 7 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 397 | 2 | 1 | 3 | 4.4 | CC[C@H]1N=c2n(C1)c(=O)n(c1c2[nH]c(n1)c1cc(Cl)cc(c1Cl)Cl)C | 10.1016/j.ejmech.2019.111879 | ||
| 5619 | 3184 | 5 | None | -24547 | 7 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 397 | 2 | 1 | 3 | 4.4 | CC[C@H]1N=c2n(C1)c(=O)n(c1c2[nH]c(n1)c1cc(Cl)cc(c1Cl)Cl)C | 10.1016/j.ejmech.2019.111879 | ||
| CHEMBL1562432 | 3184 | 5 | None | -24547 | 7 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 397 | 2 | 1 | 3 | 4.4 | CC[C@H]1N=c2n(C1)c(=O)n(c1c2[nH]c(n1)c1cc(Cl)cc(c1Cl)Cl)C | 10.1016/j.ejmech.2019.111879 | ||
| 2519 | 776 | 86 | None | -47 | 12 | Rat | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | 10.1021/acs.jmedchem.7b01627 | ||
| 407 | 776 | 86 | None | -47 | 12 | Rat | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | 10.1021/acs.jmedchem.7b01627 | ||
| 463 | 776 | 86 | None | -47 | 12 | Rat | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | 10.1021/acs.jmedchem.7b01627 | ||
| CHEMBL113 | 776 | 86 | None | -47 | 12 | Rat | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | 10.1021/acs.jmedchem.7b01627 | ||
| DB00201 | 776 | 86 | None | -47 | 12 | Rat | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | 10.1021/acs.jmedchem.7b01627 | ||
| 10457445 | 103166 | 0 | None | -93 | 3 | Rat | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 470 | 14 | 4 | 6 | 5.0 | CCCN(CCCCCCN1CCC[C@@H]1Cc1ccc(O)c(O)c1)CCc1ccc(O)c(O)c1 | 10.1016/0960-894X(95)00413-N | ||
| CHEMBL308295 | 103166 | 0 | None | -93 | 3 | Rat | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 470 | 14 | 4 | 6 | 5.0 | CCCN(CCCCCCN1CCC[C@@H]1Cc1ccc(O)c(O)c1)CCc1ccc(O)c(O)c1 | 10.1016/0960-894X(95)00413-N | ||
| 10905184 | 120114 | 0 | None | -30 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 388 | 3 | 2 | 8 | 3.2 | Cc1ccc(NC(=O)Nc2nc3nn(C)cc3c3nc(-c4ccco4)nn23)cc1 | 10.1021/jm0109614 | ||
| CHEMBL351285 | 120114 | 0 | None | -30 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 388 | 3 | 2 | 8 | 3.2 | Cc1ccc(NC(=O)Nc2nc3nn(C)cc3c3nc(-c4ccco4)nn23)cc1 | 10.1021/jm0109614 | ||
| 50940966 | 57254 | 0 | None | -30 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 269 | 3 | 1 | 5 | 3.0 | CC(=O)Nc1cc(-c2ccoc2)nc(-c2ccoc2)n1 | 10.1021/jm100843z | ||
| CHEMBL1650390 | 57254 | 0 | None | -30 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 269 | 3 | 1 | 5 | 3.0 | CC(=O)Nc1cc(-c2ccoc2)nc(-c2ccoc2)n1 | 10.1021/jm100843z | ||
| 71680734 | 90184 | 0 | None | -13 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 354 | 6 | 1 | 5 | 3.6 | COc1cccc(CCCC(=O)Nc2nc3ccccc3c(=O)s2)c1 | 10.1021/jm400336x | ||
| CHEMBL2382435 | 90184 | 0 | None | -13 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 354 | 6 | 1 | 5 | 3.6 | COc1cccc(CCCC(=O)Nc2nc3ccccc3c(=O)s2)c1 | 10.1021/jm400336x | ||
| 135486118 | 111330 | 0 | None | 1 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 511 | 9 | 2 | 9 | 2.8 | CC(C)Cn1c(=O)c2nc(-c3cc(OCC(=O)Nc4ccc(F)cc4)nn3C)[nH]c2n(CC(C)C)c1=O | 10.1021/jm0309654 | ||
| CHEMBL32697 | 111330 | 0 | None | 1 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 511 | 9 | 2 | 9 | 2.8 | CC(C)Cn1c(=O)c2nc(-c3cc(OCC(=O)Nc4ccc(F)cc4)nn3C)[nH]c2n(CC(C)C)c1=O | 10.1021/jm0309654 | ||
| 10623248 | 112613 | 0 | None | -29 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 446 | 7 | 2 | 9 | 4.2 | CCCCn1cc2c(nc(NC(=O)Nc3ccc(OC)cc3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm001047y | ||
| CHEMBL330286 | 112613 | 0 | None | -29 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 446 | 7 | 2 | 9 | 4.2 | CCCCn1cc2c(nc(NC(=O)Nc3ccc(OC)cc3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm001047y | ||
| 10623248 | 112613 | 0 | None | -29 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 446 | 7 | 2 | 9 | 4.2 | CCCCn1cc2c(nc(NC(=O)Nc3ccc(OC)cc3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm010818a | ||
| CHEMBL330286 | 112613 | 0 | None | -29 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 446 | 7 | 2 | 9 | 4.2 | CCCCn1cc2c(nc(NC(=O)Nc3ccc(OC)cc3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm010818a | ||
| 10623248 | 112613 | 0 | None | -29 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 446 | 7 | 2 | 9 | 4.2 | CCCCn1cc2c(nc(NC(=O)Nc3ccc(OC)cc3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm0109614 | ||
| CHEMBL330286 | 112613 | 0 | None | -29 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 446 | 7 | 2 | 9 | 4.2 | CCCCn1cc2c(nc(NC(=O)Nc3ccc(OC)cc3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm0109614 | ||
| 155522786 | 170728 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 318 | 3 | 2 | 4 | 2.4 | CC1=C(C(=O)OC(C)C(F)(F)F)C(c2ccco2)NC(=O)N1 | 10.1021/acs.jmedchem.9b01340 | ||
| CHEMBL4452495 | 170728 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 318 | 3 | 2 | 4 | 2.4 | CC1=C(C(=O)OC(C)C(F)(F)F)C(c2ccco2)NC(=O)N1 | 10.1021/acs.jmedchem.9b01340 | ||
| 10884803 | 120757 | 0 | None | -11 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 447 | 6 | 2 | 10 | 3.7 | CCCn1cc2c(nc(NC(=O)Nc3ccc([N+](=O)[O-])cc3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm0109614 | ||
| CHEMBL355415 | 120757 | 0 | None | -11 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 447 | 6 | 2 | 10 | 3.7 | CCCn1cc2c(nc(NC(=O)Nc3ccc([N+](=O)[O-])cc3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm0109614 | ||
| 145991489 | 166816 | 0 | None | -2 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 607 | 15 | 2 | 10 | 3.4 | CCCn1c(=O)c2c(nc3n2CCCN3CCc2ccc(OCC(=O)NCCCNC3CCCCC3)cc2)n(CCC)c1=O | 10.1039/C8MD00070K | ||
| CHEMBL4285218 | 166816 | 0 | None | -2 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 607 | 15 | 2 | 10 | 3.4 | CCCn1c(=O)c2c(nc3n2CCCN3CCc2ccc(OCC(=O)NCCCNC3CCCCC3)cc2)n(CCC)c1=O | 10.1039/C8MD00070K | ||
| 162665544 | 182239 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 276 | 3 | 2 | 4 | 2.0 | CC1=C(C(=O)OC2CCC2)C(c2ccoc2)NC(=O)N1 | 10.1021/acs.jmedchem.0c01431 | ||
| CHEMBL4783746 | 182239 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 276 | 3 | 2 | 4 | 2.0 | CC1=C(C(=O)OC2CCC2)C(c2ccoc2)NC(=O)N1 | 10.1021/acs.jmedchem.0c01431 | ||
| 50940926 | 57204 | 0 | None | -6 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 339 | 4 | 1 | 3 | 4.4 | CCC(=O)Nc1nc(-c2ccccc2F)cc(-c2ccccc2F)n1 | 10.1021/jm100843z | ||
| CHEMBL1650164 | 57204 | 0 | None | -6 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 339 | 4 | 1 | 3 | 4.4 | CCC(=O)Nc1nc(-c2ccccc2F)cc(-c2ccccc2F)n1 | 10.1021/jm100843z | ||
| 10884000 | 75518 | 0 | None | -1 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 405 | 6 | 1 | 9 | 3.7 | CSc1c2c(nc(N)n3nc(-c4ccco4)nc23)nn1CCCc1ccccc1 | 10.1021/jm021023m | ||
| CHEMBL20445 | 75518 | 0 | None | -1 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 405 | 6 | 1 | 9 | 3.7 | CSc1c2c(nc(N)n3nc(-c4ccco4)nc23)nn1CCCc1ccccc1 | 10.1021/jm021023m | ||
| 11081189 | 120349 | 0 | None | 2 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 470 | 5 | 2 | 8 | 5.1 | CCCn1cc2c(nc(NC(=O)Nc3ccc(Cl)c(Cl)c3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm0109614 | ||
| CHEMBL353299 | 120349 | 0 | None | 2 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 470 | 5 | 2 | 8 | 5.1 | CCCn1cc2c(nc(NC(=O)Nc3ccc(Cl)c(Cl)c3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm0109614 | ||
| 11080491 | 22764 | 0 | None | 1 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 429 | 7 | 1 | 8 | 4.0 | CC(C)CCn1cc2c(nc(NC(=O)Cc3ccccc3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm030852k | ||
| CHEMBL132806 | 22764 | 0 | None | 1 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 429 | 7 | 1 | 8 | 4.0 | CC(C)CCn1cc2c(nc(NC(=O)Cc3ccccc3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm030852k | ||
| 21916357 | 96364 | 0 | None | 10 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 410 | 6 | 1 | 7 | 2.6 | CCn1c(=O)n(CC(C)C)c(=O)c2[nH]c(-c3cnn(Cc4cccc(F)c4)c3)nc21 | 10.1021/jm7014815 | ||
| CHEMBL261819 | 96364 | 0 | None | 10 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 410 | 6 | 1 | 7 | 2.6 | CCn1c(=O)n(CC(C)C)c(=O)c2[nH]c(-c3cnn(Cc4cccc(F)c4)c3)nc21 | 10.1021/jm7014815 | ||
| 21958764 | 96805 | 0 | None | 8 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 378 | 6 | 1 | 7 | 2.2 | CCCn1c(=O)c2[nH]c(-c3cnn(Cc4ccccc4)c3)nc2n(CC)c1=O | 10.1021/jm7014815 | ||
| CHEMBL265212 | 96805 | 0 | None | 8 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 378 | 6 | 1 | 7 | 2.2 | CCCn1c(=O)c2[nH]c(-c3cnn(Cc4ccccc4)c3)nc2n(CC)c1=O | 10.1021/jm7014815 | ||
| CHEMBL5086406 | 215004 | 3 | None | -14 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | None | None | None | COc1cccc(-c2nc(N)nc(-c3ccccc3)c2C#N)c1 | 10.1021/acs.jmedchem.1c01636 | ||||
| 156009568 | 177137 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 336 | 3 | 2 | 5 | 3.6 | CC1=C(C(=O)OC(C)C)C(c2ccc[nH]2)n2c(nc3ccccc32)N1 | 10.1021/acs.jmedchem.0c00564 | ||
| CHEMBL4634269 | 177137 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 336 | 3 | 2 | 5 | 3.6 | CC1=C(C(=O)OC(C)C)C(c2ccc[nH]2)n2c(nc3ccccc32)N1 | 10.1021/acs.jmedchem.0c00564 | ||
| 11568060 | 77850 | 0 | None | -17 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 425 | 6 | 3 | 6 | 2.3 | CCCn1c(=O)[nH]c2[nH]c(-c3ccc(S(=O)(=O)Nc4ccccc4)cc3)nc2c1=O | 10.1021/jm060277v | ||
| CHEMBL209366 | 77850 | 0 | None | -17 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 425 | 6 | 3 | 6 | 2.3 | CCCn1c(=O)[nH]c2[nH]c(-c3ccc(S(=O)(=O)Nc4ccccc4)cc3)nc2c1=O | 10.1021/jm060277v | ||
| 44451483 | 161103 | 0 | None | 5 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 501 | 5 | 1 | 7 | 2.7 | Cn1c(=O)c2[nH]c(-c3ccc(OC(C)(C)C(=O)N4CCN(c5ccccc5)CC4)cc3)cc2n(C)c1=O | 10.1016/j.bmc.2008.01.002 | ||
| CHEMBL411720 | 161103 | 0 | None | 5 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 501 | 5 | 1 | 7 | 2.7 | Cn1c(=O)c2[nH]c(-c3ccc(OC(C)(C)C(=O)N4CCN(c5ccccc5)CC4)cc3)cc2n(C)c1=O | 10.1016/j.bmc.2008.01.002 | ||
| 49798135 | 10843 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 521 | 7 | 2 | 7 | 4.5 | CCCn1c(=O)[nH]c2cc(-c3ccc(OCc4nc(-c5ccc(Br)cc5)no4)cc3)[nH]c2c1=O | 10.1016/j.ejmech.2010.03.011 | ||
| CHEMBL1172502 | 10843 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 521 | 7 | 2 | 7 | 4.5 | CCCn1c(=O)[nH]c2cc(-c3ccc(OCc4nc(-c5ccc(Br)cc5)no4)cc3)[nH]c2c1=O | 10.1016/j.ejmech.2010.03.011 | ||
| 44308520 | 103571 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 348 | 5 | 1 | 5 | 2.7 | CCCn1c(=O)c2nc(-c3c(F)cccc3F)[nH]c2n(CCC)c1=O | 10.1021/jm0104318 | ||
| CHEMBL308660 | 103571 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 348 | 5 | 1 | 5 | 2.7 | CCCn1c(=O)c2nc(-c3c(F)cccc3F)[nH]c2n(CCC)c1=O | 10.1021/jm0104318 | ||
| 11545341 | 77995 | 0 | None | 1 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 378 | 6 | 1 | 7 | 2.6 | CCCn1c(=O)c2nc(-c3cnn(-c4ccccc4)c3)[nH]c2n(CCC)c1=O | 10.1021/jm051268+ | ||
| CHEMBL209831 | 77995 | 0 | None | 1 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 378 | 6 | 1 | 7 | 2.6 | CCCn1c(=O)c2nc(-c3cnn(-c4ccccc4)c3)[nH]c2n(CCC)c1=O | 10.1021/jm051268+ | ||
| 135428653 | 81540 | 0 | None | -295 | 4 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 441 | 7 | 2 | 4 | 4.3 | CCCN1C(=O)N2C[C@@H](C(C)C)N=C2c2[nH]c(C34CCC(CCC(=O)O)(CC3)CC4)nc21 | 10.1021/jm060539t | ||
| CHEMBL216200 | 81540 | 0 | None | -295 | 4 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 441 | 7 | 2 | 4 | 4.3 | CCCN1C(=O)N2C[C@@H](C(C)C)N=C2c2[nH]c(C34CCC(CCC(=O)O)(CC3)CC4)nc21 | 10.1021/jm060539t | ||
| 11257336 | 201847 | 0 | None | -380 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 374 | 5 | 1 | 6 | 2.3 | CCCn1c(=O)c2nc(C3=CC(C)(C)N([O])C3(C)C)[nH]c2n(CCC)c1=O | 10.1021/jm049513x | ||
| CHEMBL607302 | 201847 | 0 | None | -380 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 374 | 5 | 1 | 6 | 2.3 | CCCn1c(=O)c2nc(C3=CC(C)(C)N([O])C3(C)C)[nH]c2n(CCC)c1=O | 10.1021/jm049513x | ||
| 11067937 | 203598 | 0 | None | 5 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 344 | 5 | 0 | 6 | 2.0 | C=CCn1c(=O)c2c(nc(-c3ccccc3)n2CCCl)n(C)c1=O | 10.1021/jm0104318 | ||
| CHEMBL67110 | 203598 | 0 | None | 5 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 344 | 5 | 0 | 6 | 2.0 | C=CCn1c(=O)c2c(nc(-c3ccccc3)n2CCCl)n(C)c1=O | 10.1021/jm0104318 | ||
| 76309932 | 103815 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 292 | 3 | 1 | 5 | 1.7 | CCOC(=O)C1=C(C)NC(=O)N(C(C)=O)C1c1ccco1 | 10.1021/ml400185v | ||
| CHEMBL3091696 | 103815 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 292 | 3 | 1 | 5 | 1.7 | CCOC(=O)C1=C(C)NC(=O)N(C(C)=O)C1c1ccco1 | 10.1021/ml400185v | ||
| 3286 | 3187 | 31 | None | -26 | 9 | Rat | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 350 | 4 | 3 | 6 | 0.7 | CCCn1c(=O)[nH]c2c(c1=O)nc([nH]2)c1ccc(cc1)S(=O)(=O)O | 10.1021/acs.jmedchem.9b00071 | ||
| 5311479 | 3187 | 31 | None | -26 | 9 | Rat | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 350 | 4 | 3 | 6 | 0.7 | CCCn1c(=O)[nH]c2c(c1=O)nc([nH]2)c1ccc(cc1)S(=O)(=O)O | 10.1021/acs.jmedchem.9b00071 | ||
| CHEMBL8565 | 3187 | 31 | None | -26 | 9 | Rat | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 350 | 4 | 3 | 6 | 0.7 | CCCn1c(=O)[nH]c2c(c1=O)nc([nH]2)c1ccc(cc1)S(=O)(=O)O | 10.1021/acs.jmedchem.9b00071 | ||
| 47104774 | 103822 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 296 | 3 | 2 | 4 | 2.5 | CC1=C(C(=O)OC(C)C)C(c2ccsc2)NC(=S)N1 | 10.1021/acs.jmedchem.0c01431 | ||
| CHEMBL3091705 | 103822 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 296 | 3 | 2 | 4 | 2.5 | CC1=C(C(=O)OC(C)C)C(c2ccsc2)NC(=S)N1 | 10.1021/acs.jmedchem.0c01431 | ||
| 46227993 | 199674 | 0 | None | 1 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 326 | 4 | 1 | 7 | 1.2 | Cn1c(=O)c2[nH]c(Cc3ccco3)nc2n(Cc2ccco2)c1=O | 10.1016/j.bmc.2009.07.034 | ||
| CHEMBL593216 | 199674 | 0 | None | 1 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 326 | 4 | 1 | 7 | 1.2 | Cn1c(=O)c2[nH]c(Cc3ccco3)nc2n(Cc2ccco2)c1=O | 10.1016/j.bmc.2009.07.034 | ||
| 395949 | 72476 | 18 | None | -3 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 218 | 2 | 2 | 4 | 1.0 | COc1cccc2cc(C(N)=O)c(=N)oc12 | 10.1016/j.ejmech.2012.05.009 | ||
| CHEMBL1990267 | 72476 | 18 | None | -3 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 218 | 2 | 2 | 4 | 1.0 | COc1cccc2cc(C(N)=O)c(=N)oc12 | 10.1016/j.ejmech.2012.05.009 | ||
| 3288 | 1842 | 40 | None | -10232 | 5 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 351 | 4 | 5 | 10 | -1.2 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N[C@H]1CCC[C@@H]1O | 10.1007/s00044-004-0013-y | ||
| 9884817 | 1842 | 40 | None | -10232 | 5 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 351 | 4 | 5 | 10 | -1.2 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N[C@H]1CCC[C@@H]1O | 10.1007/s00044-004-0013-y | ||
| CHEMBL2163568 | 1842 | 40 | None | -10232 | 5 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 351 | 4 | 5 | 10 | -1.2 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N[C@H]1CCC[C@@H]1O | 10.1007/s00044-004-0013-y | ||
| 2519 | 776 | 86 | None | -11 | 12 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | 10.1021/acs.jmedchem.1c00261 | ||
| 407 | 776 | 86 | None | -11 | 12 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | 10.1021/acs.jmedchem.1c00261 | ||
| 463 | 776 | 86 | None | -11 | 12 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | 10.1021/acs.jmedchem.1c00261 | ||
| CHEMBL113 | 776 | 86 | None | -11 | 12 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | 10.1021/acs.jmedchem.1c00261 | ||
| DB00201 | 776 | 86 | None | -11 | 12 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | 10.1021/acs.jmedchem.1c00261 | ||
| 2519 | 776 | 86 | None | -11 | 12 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | 10.1021/acs.jmedchem.1c00261 | ||
| 407 | 776 | 86 | None | -11 | 12 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | 10.1021/acs.jmedchem.1c00261 | ||
| 463 | 776 | 86 | None | -11 | 12 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | 10.1021/acs.jmedchem.1c00261 | ||
| CHEMBL113 | 776 | 86 | None | -11 | 12 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | 10.1021/acs.jmedchem.1c00261 | ||
| DB00201 | 776 | 86 | None | -11 | 12 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | 10.1021/acs.jmedchem.1c00261 | ||
| 44520976 | 202168 | 4 | None | -1258 | 4 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 323 | 4 | 2 | 6 | 2.3 | Cc1cccc(CNC(=O)c2cc(-c3ccc(C)o3)nc(N)n2)n1 | 10.1016/j.bmc.2009.07.078 | ||
| CHEMBL609578 | 202168 | 4 | None | -1258 | 4 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 323 | 4 | 2 | 6 | 2.3 | Cc1cccc(CNC(=O)c2cc(-c3ccc(C)o3)nc(N)n2)n1 | 10.1016/j.bmc.2009.07.078 | ||
| 44520976 | 202168 | 4 | None | -1258 | 4 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 323 | 4 | 2 | 6 | 2.3 | Cc1cccc(CNC(=O)c2cc(-c3ccc(C)o3)nc(N)n2)n1 | 10.1021/jm4011669 | ||
| CHEMBL609578 | 202168 | 4 | None | -1258 | 4 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 323 | 4 | 2 | 6 | 2.3 | Cc1cccc(CNC(=O)c2cc(-c3ccc(C)o3)nc(N)n2)n1 | 10.1021/jm4011669 | ||
| 135529386 | 488 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 537 | 10 | 2 | 12 | 0.4 | CCOC(=O)c1ccc(cc1)NC(=O)COc1c/c(=C\2/N=c3c(=N2)c(=O)n(c(=O)n3CCC)CCC)/n([nH]1)C | 10.1021/jm0309654 | ||
| 440 | 488 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 537 | 10 | 2 | 12 | 0.4 | CCOC(=O)c1ccc(cc1)NC(=O)COc1c/c(=C\2/N=c3c(=N2)c(=O)n(c(=O)n3CCC)CCC)/n([nH]1)C | 10.1021/jm0309654 | ||
| CHEMBL284615 | 488 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 537 | 10 | 2 | 12 | 0.4 | CCOC(=O)c1ccc(cc1)NC(=O)COc1c/c(=C\2/N=c3c(=N2)c(=O)n(c(=O)n3CCC)CCC)/n([nH]1)C | 10.1021/jm0309654 | ||
| 135529386 | 488 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 537 | 10 | 2 | 12 | 0.4 | CCOC(=O)c1ccc(cc1)NC(=O)COc1c/c(=C\2/N=c3c(=N2)c(=O)n(c(=O)n3CCC)CCC)/n([nH]1)C | 10.1021/jm0309654 | ||
| 440 | 488 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 537 | 10 | 2 | 12 | 0.4 | CCOC(=O)c1ccc(cc1)NC(=O)COc1c/c(=C\2/N=c3c(=N2)c(=O)n(c(=O)n3CCC)CCC)/n([nH]1)C | 10.1021/jm0309654 | ||
| CHEMBL284615 | 488 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 537 | 10 | 2 | 12 | 0.4 | CCOC(=O)c1ccc(cc1)NC(=O)COc1c/c(=C\2/N=c3c(=N2)c(=O)n(c(=O)n3CCC)CCC)/n([nH]1)C | 10.1021/jm0309654 | ||
| 46880422 | 6015 | 0 | None | 22 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 306 | 4 | 1 | 5 | 3.1 | O=C(Nc1ccc(-c2ccncc2)c(-c2ncco2)n1)C1CC1 | 10.1016/j.bmcl.2010.01.045 | ||
| CHEMBL1080500 | 6015 | 0 | None | 22 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 306 | 4 | 1 | 5 | 3.1 | O=C(Nc1ccc(-c2ccncc2)c(-c2ncco2)n1)C1CC1 | 10.1016/j.bmcl.2010.01.045 | ||
| 16070448 | 57990 | 0 | None | 9 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 317 | 4 | 1 | 5 | 2.9 | O=C(Nc1cnc(-c2ccncc2)c(-c2ccncc2)n1)C1CC1 | 10.1021/ml100249e | ||
| CHEMBL1672622 | 57990 | 0 | None | 9 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 317 | 4 | 1 | 5 | 2.9 | O=C(Nc1cnc(-c2ccncc2)c(-c2ccncc2)n1)C1CC1 | 10.1021/ml100249e | ||
| 44406643 | 133135 | 0 | None | 15 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 494 | 8 | 1 | 10 | 3.3 | CCCn1c(=O)c2nc(-c3cnn(Cc4nc(-c5cccc(Cl)c5)no4)c3)[nH]c2n(CCC)c1=O | 10.1016/j.bmcl.2005.10.002 | ||
| CHEMBL370380 | 133135 | 0 | None | 15 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 494 | 8 | 1 | 10 | 3.3 | CCCn1c(=O)c2nc(-c3cnn(Cc4nc(-c5cccc(Cl)c5)no4)c3)[nH]c2n(CCC)c1=O | 10.1016/j.bmcl.2005.10.002 | ||
| 44451482 | 166862 | 0 | None | 16 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 503 | 6 | 1 | 8 | 2.0 | COc1cc(OCC(=O)N2CCN(c3ccccc3)CC2)ccc1-c1cc2c([nH]1)c(=O)n(C)c(=O)n2C | 10.1016/j.bmc.2008.01.002 | ||
| CHEMBL428605 | 166862 | 0 | None | 16 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 503 | 6 | 1 | 8 | 2.0 | COc1cc(OCC(=O)N2CCN(c3ccccc3)CC2)ccc1-c1cc2c([nH]1)c(=O)n(C)c(=O)n2C | 10.1016/j.bmc.2008.01.002 | ||
| 46227984 | 201271 | 0 | None | 4 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 340 | 4 | 0 | 8 | 1.3 | Cn1c(=O)c2c(nc(Cc3ccco3)n2C)n(Cc2ccco2)c1=O | 10.1016/j.bmc.2009.07.034 | ||
| CHEMBL604075 | 201271 | 0 | None | 4 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 340 | 4 | 0 | 8 | 1.3 | Cn1c(=O)c2c(nc(Cc3ccco3)n2C)n(Cc2ccco2)c1=O | 10.1016/j.bmc.2009.07.034 | ||
| 9843101 | 199080 | 0 | None | -7943 | 4 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 385 | 6 | 1 | 7 | 3.9 | COc1cc(-c2nc(NC(C)=O)sc2-c2ccncc2)cc(OC)c1OC | 10.1016/j.ejmech.2019.111879 | ||
| CHEMBL589080 | 199080 | 0 | None | -7943 | 4 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 385 | 6 | 1 | 7 | 3.9 | COc1cc(-c2nc(NC(C)=O)sc2-c2ccncc2)cc(OC)c1OC | 10.1016/j.ejmech.2019.111879 | ||
| 45268927 | 196122 | 0 | None | 1 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 342 | 7 | 1 | 6 | 2.0 | CCCn1c(=O)c2[nH]c(-c3ccccc3)nc2n(CCCOC)c1=O | 10.1016/j.bmc.2009.03.029 | ||
| CHEMBL561167 | 196122 | 0 | None | 1 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 342 | 7 | 1 | 6 | 2.0 | CCCn1c(=O)c2[nH]c(-c3ccccc3)nc2n(CCCOC)c1=O | 10.1016/j.bmc.2009.03.029 | ||
| 2732424 | 22160 | 29 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 282 | 3 | 2 | 5 | 2.5 | CCOC(=O)C1=C(C)N=C(S)NC1c1cccs1 | 10.1021/acs.jmedchem.0c01431 | ||
| CHEMBL1322729 | 22160 | 29 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 282 | 3 | 2 | 5 | 2.5 | CCOC(=O)C1=C(C)N=C(S)NC1c1cccs1 | 10.1021/acs.jmedchem.0c01431 | ||
| 44390559 | 65549 | 0 | None | 1 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 554 | 9 | 1 | 9 | 5.0 | CCCn1c(=O)c2nc(-c3ccc(OCc4nc(-c5ccccc5C(F)(F)F)no4)cc3)[nH]c2n(CCC)c1=O | 10.1016/j.bmcl.2004.11.044 | ||
| CHEMBL183183 | 65549 | 0 | None | 1 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 554 | 9 | 1 | 9 | 5.0 | CCCn1c(=O)c2nc(-c3ccc(OCc4nc(-c5ccccc5C(F)(F)F)no4)cc3)[nH]c2n(CCC)c1=O | 10.1016/j.bmcl.2004.11.044 | ||
| 50940932 | 57213 | 0 | None | -8 | 4 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 315 | 4 | 1 | 5 | 4.3 | CCC(=O)Nc1nc(-c2ccsc2)cc(-c2ccsc2)n1 | 10.1021/jm100843z | ||
| CHEMBL1650347 | 57213 | 0 | None | -8 | 4 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 315 | 4 | 1 | 5 | 4.3 | CCC(=O)Nc1nc(-c2ccsc2)cc(-c2ccsc2)n1 | 10.1021/jm100843z | ||
| 162675258 | 183331 | 0 | None | 9 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 278 | 4 | 2 | 4 | 2.1 | CC1=C(C(=O)OCC(C)C)C(c2ccoc2)NC(=O)N1 | 10.1021/acs.jmedchem.0c01431 | ||
| CHEMBL4797674 | 183331 | 0 | None | 9 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 278 | 4 | 2 | 4 | 2.1 | CC1=C(C(=O)OCC(C)C)C(c2ccoc2)NC(=O)N1 | 10.1021/acs.jmedchem.0c01431 | ||
| 46880509 | 6124 | 0 | None | 44 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 316 | 4 | 1 | 4 | 3.6 | O=C(Nc1ccc(-c2ccncc2)c(-c2cccnc2)n1)C1CC1 | 10.1016/j.bmcl.2010.01.045 | ||
| CHEMBL1081040 | 6124 | 0 | None | 44 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 316 | 4 | 1 | 4 | 3.6 | O=C(Nc1ccc(-c2ccncc2)c(-c2cccnc2)n1)C1CC1 | 10.1016/j.bmcl.2010.01.045 | ||
| 11495161 | 78260 | 0 | None | -1 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 406 | 7 | 1 | 7 | 2.9 | CCCn1c(=O)c2nc(-c3cnn(Cc4ccccc4C)c3)[nH]c2n(CCC)c1=O | 10.1021/jm051268+ | ||
| CHEMBL210747 | 78260 | 0 | None | -1 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 406 | 7 | 1 | 7 | 2.9 | CCCn1c(=O)c2nc(-c3cnn(Cc4ccccc4C)c3)[nH]c2n(CCC)c1=O | 10.1021/jm051268+ | ||
| 541615 | 97497 | 1 | None | -2 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 385 | 8 | 2 | 7 | 1.2 | CCCn1c(=O)c2nc(-c3ccc(OCC(N)=O)cc3)[nH]c2n(CCC)c1=O | 10.1021/jm0506221 | ||
| CHEMBL27043 | 97497 | 1 | None | -2 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 385 | 8 | 2 | 7 | 1.2 | CCCn1c(=O)c2nc(-c3ccc(OCC(N)=O)cc3)[nH]c2n(CCC)c1=O | 10.1021/jm0506221 | ||
| 45271363 | 195409 | 0 | None | 2 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 478 | 10 | 2 | 9 | 2.0 | CCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4cccnc4)cc3)nc2n(CCCOC)c1=O | 10.1016/j.bmc.2009.03.029 | ||
| CHEMBL552304 | 195409 | 0 | None | 2 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 478 | 10 | 2 | 9 | 2.0 | CCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4cccnc4)cc3)nc2n(CCCOC)c1=O | 10.1016/j.bmc.2009.03.029 | ||
| 11569877 | 133420 | 0 | None | 6 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 518 | 11 | 3 | 7 | 3.6 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(CC(=O)O)cc4)cc3)cc2n(CCC)c1=O | 10.1021/jm0506221 | ||
| CHEMBL370629 | 133420 | 0 | None | 6 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 518 | 11 | 3 | 7 | 3.6 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(CC(=O)O)cc4)cc3)cc2n(CCC)c1=O | 10.1021/jm0506221 | ||
| 137639632 | 156897 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 439 | 7 | 1 | 9 | 0.9 | CCCn1c(=O)c2[nH]c(-c3cnn(CC#CCN4CCOCC4)c3)nc2n(CCC)c1=O | 10.1016/j.ejmech.2017.04.014 | ||
| CHEMBL4072350 | 156897 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 439 | 7 | 1 | 9 | 0.9 | CCCn1c(=O)c2[nH]c(-c3cnn(CC#CCN4CCOCC4)c3)nc2n(CCC)c1=O | 10.1016/j.ejmech.2017.04.014 | ||
| CHEMBL5089580 | 215191 | 0 | None | -1174 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | None | None | None | Nc1nc(-c2ccc(OCCCN3CCCCC3)cc2)c2c(n1)-c1ccccc1C2=O | 10.1021/acs.jmedchem.0c00914 | ||||
| 164617060 | 185385 | 0 | None | -363 | 4 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 440 | 9 | 4 | 9 | 1.0 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCCCCc4ccccc4)ncnc32)[C@H](O)[C@@H]1O | 10.1016/j.ejmech.2021.113607 | ||
| CHEMBL4861092 | 185385 | 0 | None | -363 | 4 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 440 | 9 | 4 | 9 | 1.0 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCCCCc4ccccc4)ncnc32)[C@H](O)[C@@H]1O | 10.1016/j.ejmech.2021.113607 | ||
| 22266740 | 96256 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 480 | 7 | 1 | 10 | 2.9 | CCCn1c(=O)c2[nH]c(-c3cnn(Cc4noc(-c5ccc(Cl)cc5)n4)c3)nc2n(CC)c1=O | 10.1021/jm7014815 | ||
| CHEMBL261182 | 96256 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 480 | 7 | 1 | 10 | 2.9 | CCCn1c(=O)c2[nH]c(-c3cnn(Cc4noc(-c5ccc(Cl)cc5)n4)c3)nc2n(CC)c1=O | 10.1021/jm7014815 | ||
| 10861697 | 103011 | 0 | None | -4 | 4 | Rat | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 374 | 7 | 0 | 6 | 3.1 | CCCn1c(=O)c2c(nc(-c3ccccc3)n2CCCl)n(CCC)c1=O | 10.1021/jm0104318 | ||
| CHEMBL307105 | 103011 | 0 | None | -4 | 4 | Rat | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 374 | 7 | 0 | 6 | 3.1 | CCCn1c(=O)c2c(nc(-c3ccccc3)n2CCCl)n(CCC)c1=O | 10.1021/jm0104318 | ||
| 1241166 | 199261 | 21 | None | 2 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 356 | 5 | 1 | 4 | 5.8 | O=C(c1ccccc1)c1sc(Nc2ccccc2)nc1-c1ccccc1 | 10.1016/j.bmc.2010.01.072 | ||
| CHEMBL590302 | 199261 | 21 | None | 2 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 356 | 5 | 1 | 4 | 5.8 | O=C(c1ccccc1)c1sc(Nc2ccccc2)nc1-c1ccccc1 | 10.1016/j.bmc.2010.01.072 | ||
| 127043829 | 141193 | 0 | None | -1 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 552 | 13 | 0 | 10 | 3.1 | CCCCn1c(=O)c2c(nc3n2CCCN3CCc2ccc(OCCN3CCOCC3)cc2)n(CCCC)c1=O | 10.1016/j.bmc.2016.07.028 | ||
| CHEMBL3828555 | 141193 | 0 | None | -1 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 552 | 13 | 0 | 10 | 3.1 | CCCCn1c(=O)c2c(nc3n2CCCN3CCc2ccc(OCCN3CCOCC3)cc2)n(CCCC)c1=O | 10.1016/j.bmc.2016.07.028 | ||
| 44587954 | 174409 | 0 | None | 2 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 371 | 6 | 3 | 6 | 2.4 | CCCn1c(=O)c2[nH]c(-c3ccc(C(=O)O)cc3)c(O)c2n(CCC)c1=O | 10.1016/j.bmc.2008.09.067 | ||
| CHEMBL455315 | 174409 | 0 | None | 2 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 371 | 6 | 3 | 6 | 2.4 | CCCn1c(=O)c2[nH]c(-c3ccc(C(=O)O)cc3)c(O)c2n(CCC)c1=O | 10.1016/j.bmc.2008.09.067 | ||
| 127043664 | 141182 | 0 | None | 1 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 510 | 13 | 0 | 9 | 3.4 | CCCn1c(=O)c2c(nc3n2CCCN3CCc2ccc(OCCN(CC)CC)cc2)n(CCC)c1=O | 10.1016/j.bmc.2016.07.028 | ||
| CHEMBL3828401 | 141182 | 0 | None | 1 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 510 | 13 | 0 | 9 | 3.4 | CCCn1c(=O)c2c(nc3n2CCCN3CCc2ccc(OCCN(CC)CC)cc2)n(CCC)c1=O | 10.1016/j.bmc.2016.07.028 | ||
| 52950000 | 19094 | 0 | None | 2 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 505 | 8 | 2 | 4 | 5.2 | N#Cc1c(CCc2ccccc2)c2cc(OCC(=O)NCc3ccc(Cl)c(Cl)c3)ccc2[nH]c1=O | 10.1016/j.bmcl.2010.10.030 | ||
| CHEMBL1289344 | 19094 | 0 | None | 2 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 505 | 8 | 2 | 4 | 5.2 | N#Cc1c(CCc2ccccc2)c2cc(OCC(=O)NCc3ccc(Cl)c(Cl)c3)ccc2[nH]c1=O | 10.1016/j.bmcl.2010.10.030 | ||
| 2519 | 776 | 86 | None | -11 | 12 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | 10.1016/j.bmc.2013.09.044 | ||
| 407 | 776 | 86 | None | -11 | 12 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | 10.1016/j.bmc.2013.09.044 | ||
| 463 | 776 | 86 | None | -11 | 12 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | 10.1016/j.bmc.2013.09.044 | ||
| CHEMBL113 | 776 | 86 | None | -11 | 12 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | 10.1016/j.bmc.2013.09.044 | ||
| DB00201 | 776 | 86 | None | -11 | 12 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | 10.1016/j.bmc.2013.09.044 | ||
| 2519 | 776 | 86 | None | -11 | 12 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | 10.1039/C8MD00070K | ||
| 407 | 776 | 86 | None | -11 | 12 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | 10.1039/C8MD00070K | ||
| 463 | 776 | 86 | None | -11 | 12 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | 10.1039/C8MD00070K | ||
| CHEMBL113 | 776 | 86 | None | -11 | 12 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | 10.1039/C8MD00070K | ||
| DB00201 | 776 | 86 | None | -11 | 12 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | 10.1039/C8MD00070K | ||
| 2519 | 776 | 86 | None | -11 | 12 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | 10.1021/acs.jmedchem.5b01586 | ||
| 407 | 776 | 86 | None | -11 | 12 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | 10.1021/acs.jmedchem.5b01586 | ||
| 463 | 776 | 86 | None | -11 | 12 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | 10.1021/acs.jmedchem.5b01586 | ||
| CHEMBL113 | 776 | 86 | None | -11 | 12 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | 10.1021/acs.jmedchem.5b01586 | ||
| DB00201 | 776 | 86 | None | -11 | 12 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | 10.1021/acs.jmedchem.5b01586 | ||
| 2519 | 776 | 86 | None | -11 | 12 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | 10.1016/j.bmc.2016.09.003 | ||
| 407 | 776 | 86 | None | -11 | 12 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | 10.1016/j.bmc.2016.09.003 | ||
| 463 | 776 | 86 | None | -11 | 12 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | 10.1016/j.bmc.2016.09.003 | ||
| CHEMBL113 | 776 | 86 | None | -11 | 12 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | 10.1016/j.bmc.2016.09.003 | ||
| DB00201 | 776 | 86 | None | -11 | 12 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | 10.1016/j.bmc.2016.09.003 | ||
| 2519 | 776 | 86 | None | -11 | 12 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | 10.1016/j.bmc.2013.09.044 | ||
| 407 | 776 | 86 | None | -11 | 12 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | 10.1016/j.bmc.2013.09.044 | ||
| 463 | 776 | 86 | None | -11 | 12 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | 10.1016/j.bmc.2013.09.044 | ||
| CHEMBL113 | 776 | 86 | None | -11 | 12 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | 10.1016/j.bmc.2013.09.044 | ||
| DB00201 | 776 | 86 | None | -11 | 12 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | 10.1016/j.bmc.2013.09.044 | ||
| 2519 | 776 | 86 | None | -11 | 12 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | 10.1016/j.bmc.2010.01.072 | ||
| 407 | 776 | 86 | None | -11 | 12 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | 10.1016/j.bmc.2010.01.072 | ||
| 463 | 776 | 86 | None | -11 | 12 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | 10.1016/j.bmc.2010.01.072 | ||
| CHEMBL113 | 776 | 86 | None | -11 | 12 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | 10.1016/j.bmc.2010.01.072 | ||
| DB00201 | 776 | 86 | None | -11 | 12 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | 10.1016/j.bmc.2010.01.072 | ||
| 2519 | 776 | 86 | None | -11 | 12 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | 10.1016/j.ejmech.2019.111879 | ||
| 407 | 776 | 86 | None | -11 | 12 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | 10.1016/j.ejmech.2019.111879 | ||
| 463 | 776 | 86 | None | -11 | 12 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | 10.1016/j.ejmech.2019.111879 | ||
| CHEMBL113 | 776 | 86 | None | -11 | 12 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | 10.1016/j.ejmech.2019.111879 | ||
| DB00201 | 776 | 86 | None | -11 | 12 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | 10.1016/j.ejmech.2019.111879 | ||
| 2519 | 776 | 86 | None | -11 | 12 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | 10.1021/jm900413e | ||
| 407 | 776 | 86 | None | -11 | 12 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | 10.1021/jm900413e | ||
| 463 | 776 | 86 | None | -11 | 12 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | 10.1021/jm900413e | ||
| CHEMBL113 | 776 | 86 | None | -11 | 12 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | 10.1021/jm900413e | ||
| DB00201 | 776 | 86 | None | -11 | 12 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | 10.1021/jm900413e | ||
| 2519 | 776 | 86 | None | -11 | 12 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | 10.1016/j.bmc.2019.02.004 | ||
| 407 | 776 | 86 | None | -11 | 12 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | 10.1016/j.bmc.2019.02.004 | ||
| 463 | 776 | 86 | None | -11 | 12 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | 10.1016/j.bmc.2019.02.004 | ||
| CHEMBL113 | 776 | 86 | None | -11 | 12 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | 10.1016/j.bmc.2019.02.004 | ||
| DB00201 | 776 | 86 | None | -11 | 12 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | 10.1016/j.bmc.2019.02.004 | ||
| 44459941 | 96669 | 4 | None | 1 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 246 | 4 | 0 | 6 | 0.3 | C=CCn1c(=O)c2c(ncn2C)n(CC=C)c1=O | 10.1021/jm0104318 | ||
| CHEMBL26406 | 96669 | 4 | None | 1 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 246 | 4 | 0 | 6 | 0.3 | C=CCn1c(=O)c2c(ncn2C)n(CC=C)c1=O | 10.1021/jm0104318 | ||
| 10563436 | 135205 | 0 | None | -3 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 262 | 3 | 2 | 4 | 1.5 | CCCn1c(=O)[nH]c2[nH]c(C3CCCC3)nc2c1=O | 10.1021/jm0104318 | ||
| CHEMBL37243 | 135205 | 0 | None | -3 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 262 | 3 | 2 | 4 | 1.5 | CCCn1c(=O)[nH]c2[nH]c(C3CCCC3)nc2c1=O | 10.1021/jm0104318 | ||
| 136002186 | 109674 | 0 | None | 1 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 449 | 8 | 2 | 8 | 2.3 | CCCn1c(=O)c2nc(-c3cc(NC(=O)Cc4ccccc4)n(C)n3)[nH]c2n(CCC)c1=O | 10.1021/jm0309654 | ||
| CHEMBL32281 | 109674 | 0 | None | 1 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 449 | 8 | 2 | 8 | 2.3 | CCCn1c(=O)c2nc(-c3cc(NC(=O)Cc4ccccc4)n(C)n3)[nH]c2n(CCC)c1=O | 10.1021/jm0309654 | ||
| 136002186 | 109674 | 0 | None | 1 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 449 | 8 | 2 | 8 | 2.3 | CCCn1c(=O)c2nc(-c3cc(NC(=O)Cc4ccccc4)n(C)n3)[nH]c2n(CCC)c1=O | 10.1021/jm0309654 | ||
| CHEMBL32281 | 109674 | 0 | None | 1 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 449 | 8 | 2 | 8 | 2.3 | CCCn1c(=O)c2nc(-c3cc(NC(=O)Cc4ccccc4)n(C)n3)[nH]c2n(CCC)c1=O | 10.1021/jm0309654 | ||
| 21958725 | 94533 | 0 | None | 3 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 364 | 6 | 2 | 6 | 2.1 | CCCCn1c(=O)[nH]c2nc(-c3cnn(Cc4ccccc4)c3)[nH]c2c1=O | 10.1016/j.bmcl.2008.01.008 | ||
| CHEMBL251874 | 94533 | 0 | None | 3 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 364 | 6 | 2 | 6 | 2.1 | CCCCn1c(=O)[nH]c2nc(-c3cnn(Cc4ccccc4)c3)[nH]c2c1=O | 10.1016/j.bmcl.2008.01.008 | ||
| 11667107 | 144368 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 332 | 4 | 1 | 7 | 2.6 | [O-][n+]1cccc(Nc2ncc(-c3ccncn3)c(-c3ccco3)n2)c1 | 10.1021/jm061333v | ||
| CHEMBL390600 | 144368 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 332 | 4 | 1 | 7 | 2.6 | [O-][n+]1cccc(Nc2ncc(-c3ccncn3)c(-c3ccco3)n2)c1 | 10.1021/jm061333v | ||
| 11812897 | 120273 | 0 | None | 3 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 484 | 6 | 2 | 8 | 5.5 | CCCCn1cc2c(nc(NC(=O)Nc3ccc(Cl)c(Cl)c3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm0109614 | ||
| CHEMBL352707 | 120273 | 0 | None | 3 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 484 | 6 | 2 | 8 | 5.5 | CCCCn1cc2c(nc(NC(=O)Nc3ccc(Cl)c(Cl)c3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm0109614 | ||
| 2817165 | 188797 | 5 | None | -91 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 251 | 2 | 1 | 5 | 3.1 | N#Cc1c(-c2ccco2)cc(-c2ccco2)nc1N | 10.1021/jm701594y | ||
| CHEMBL506250 | 188797 | 5 | None | -91 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 251 | 2 | 1 | 5 | 3.1 | N#Cc1c(-c2ccco2)cc(-c2ccco2)nc1N | 10.1021/jm701594y | ||
| 11524637 | 78058 | 0 | None | -1 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 422 | 8 | 1 | 8 | 2.6 | CCCn1c(=O)c2nc(-c3cnn(Cc4cccc(OC)c4)c3)[nH]c2n(CCC)c1=O | 10.1021/jm051268+ | ||
| CHEMBL210150 | 78058 | 0 | None | -1 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 422 | 8 | 1 | 8 | 2.6 | CCCn1c(=O)c2nc(-c3cnn(Cc4cccc(OC)c4)c3)[nH]c2n(CCC)c1=O | 10.1021/jm051268+ | ||
| 2690 | 900 | 66 | None | -30 | 9 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 285 | 1 | 1 | 6 | 2.8 | Clc1ccc2c(c1)c1nc(nn1c(n2)N)c1ccco1 | 10.1021/jm900413e | ||
| 384 | 900 | 66 | None | -30 | 9 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 285 | 1 | 1 | 6 | 2.8 | Clc1ccc2c(c1)c1nc(nn1c(n2)N)c1ccco1 | 10.1021/jm900413e | ||
| CHEMBL16687 | 900 | 66 | None | -30 | 9 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 285 | 1 | 1 | 6 | 2.8 | Clc1ccc2c(c1)c1nc(nn1c(n2)N)c1ccco1 | 10.1021/jm900413e | ||
| 10563436 | 135205 | 0 | None | -3 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 262 | 3 | 2 | 4 | 1.5 | CCCn1c(=O)[nH]c2[nH]c(C3CCCC3)nc2c1=O | 10.1021/jm011049y | ||
| CHEMBL37243 | 135205 | 0 | None | -3 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 262 | 3 | 2 | 4 | 1.5 | CCCn1c(=O)[nH]c2[nH]c(C3CCCC3)nc2c1=O | 10.1021/jm011049y | ||
| CHEMBL5088749 | 215153 | 0 | None | -11 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | None | None | None | CNc1nc(-c2ccccc2)c(C#N)c(-c2cccc(C#N)c2)n1 | 10.1021/acs.jmedchem.1c01636 | ||||
| 11656950 | 72255 | 0 | None | 2 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 557 | 10 | 2 | 8 | 4.6 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(C5=NC(C)(C)CO5)cc4)cc3)cc2n(CCC)c1=O | 10.1021/jm0506221 | ||
| CHEMBL198294 | 72255 | 0 | None | 2 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 557 | 10 | 2 | 8 | 4.6 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(C5=NC(C)(C)CO5)cc4)cc3)cc2n(CCC)c1=O | 10.1021/jm0506221 | ||
| 11569133 | 72583 | 0 | None | 1 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 476 | 9 | 3 | 7 | 3.7 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(O)cc4)cc3)cc2n(CCC)c1=O | 10.1021/jm0506221 | ||
| CHEMBL199399 | 72583 | 0 | None | 1 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 476 | 9 | 3 | 7 | 3.7 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(O)cc4)cc3)cc2n(CCC)c1=O | 10.1021/jm0506221 | ||
| 156019760 | 177924 | 0 | None | -40 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 337 | 3 | 2 | 6 | 3.0 | CC1=C(C(=O)OC(C)C)C(c2cn[nH]c2)n2c(nc3ccccc32)N1 | 10.1021/acs.jmedchem.0c00564 | ||
| CHEMBL4645687 | 177924 | 0 | None | -40 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 337 | 3 | 2 | 6 | 3.0 | CC1=C(C(=O)OC(C)C)C(c2cn[nH]c2)n2c(nc3ccccc32)N1 | 10.1021/acs.jmedchem.0c00564 | ||
| 145986838 | 167059 | 0 | None | -2 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 581 | 16 | 1 | 10 | 2.9 | CCCn1c(=O)c2c(nc3n2CCCN3CCc2ccc(OCC(=O)NCCCN(CC)CC)cc2)n(CCC)c1=O | 10.1039/C8MD00070K | ||
| CHEMBL4289660 | 167059 | 0 | None | -2 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 581 | 16 | 1 | 10 | 2.9 | CCCn1c(=O)c2c(nc3n2CCCN3CCc2ccc(OCC(=O)NCCCN(CC)CC)cc2)n(CCC)c1=O | 10.1039/C8MD00070K | ||
| 135465784 | 162838 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 495 | 9 | 3 | 10 | 2.0 | CCCn1c(=O)c2nc(-c3cc(NC(=O)Cc4ccc(O)c(OC)c4)nn3C)[nH]c2n(CCC)c1=O | 10.1021/jm0309654 | ||
| CHEMBL417312 | 162838 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 495 | 9 | 3 | 10 | 2.0 | CCCn1c(=O)c2nc(-c3cc(NC(=O)Cc4ccc(O)c(OC)c4)nn3C)[nH]c2n(CCC)c1=O | 10.1021/jm0309654 | ||
| 72546540 | 103814 | 1 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 248 | 3 | 1 | 5 | 1.5 | CCOC(=O)c1c(-c2ccco2)nc(=O)[nH]c1C | 10.1021/ml400185v | ||
| CHEMBL3091695 | 103814 | 1 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 248 | 3 | 1 | 5 | 1.5 | CCOC(=O)c1c(-c2ccco2)nc(=O)[nH]c1C | 10.1021/ml400185v | ||
| 137652737 | 158565 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 304 | 3 | 2 | 5 | 2.0 | CC1=C(C(=O)OC(C)C)C(c2cccs2)N/C(=N/C#N)N1 | 10.1021/acs.jmedchem.7b00138 | ||
| CHEMBL4092030 | 158565 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 304 | 3 | 2 | 5 | 2.0 | CC1=C(C(=O)OC(C)C)C(c2cccs2)N/C(=N/C#N)N1 | 10.1021/acs.jmedchem.7b00138 | ||
| CHEMBL5076343 | 214406 | 3 | None | -158 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | None | None | None | Nc1ccccc1NC(=O)c1ccc(CCn2ncc3c2nc(N)n2nc(-c4ccco4)nc32)cc1 | 10.1021/acs.jmedchem.1c01155 | ||||
| 135493268 | 110459 | 0 | None | 25 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 449 | 8 | 2 | 8 | 2.3 | CCCn1c(=O)c2nc(-c3cc(NC(=O)Cc4ccccc4)nn3C)[nH]c2n(CCC)c1=O | 10.1021/jm0309654 | ||
| CHEMBL32481 | 110459 | 0 | None | 25 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 449 | 8 | 2 | 8 | 2.3 | CCCn1c(=O)c2nc(-c3cc(NC(=O)Cc4ccccc4)nn3C)[nH]c2n(CCC)c1=O | 10.1021/jm0309654 | ||
| 135493268 | 110459 | 0 | None | 25 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 449 | 8 | 2 | 8 | 2.3 | CCCn1c(=O)c2nc(-c3cc(NC(=O)Cc4ccccc4)nn3C)[nH]c2n(CCC)c1=O | 10.1021/jm0309654 | ||
| CHEMBL32481 | 110459 | 0 | None | 25 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 449 | 8 | 2 | 8 | 2.3 | CCCn1c(=O)c2nc(-c3cc(NC(=O)Cc4ccccc4)nn3C)[nH]c2n(CCC)c1=O | 10.1021/jm0309654 | ||
| 10926253 | 81029 | 0 | None | 1 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 353 | 2 | 1 | 10 | 0.6 | CN1CCN(c2c3c(nc(N)n4nc(-c5ccco5)nc34)nn2C)CC1 | 10.1021/jm021023m | ||
| CHEMBL21541 | 81029 | 0 | None | 1 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 353 | 2 | 1 | 10 | 0.6 | CN1CCN(c2c3c(nc(N)n4nc(-c5ccco5)nc34)nn2C)CC1 | 10.1021/jm021023m | ||
| CHEMBL553587 | 81029 | 0 | None | 1 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 353 | 2 | 1 | 10 | 0.6 | CN1CCN(c2c3c(nc(N)n4nc(-c5ccco5)nc34)nn2C)CC1 | 10.1021/jm021023m | ||
| 11733496 | 24873 | 0 | None | 1 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 477 | 8 | 1 | 8 | 4.5 | O=C(Cc1ccccc1)Nc1nc2nn(CCCc3ccccc3)cc2c2nc(-c3ccco3)nn12 | 10.1021/jm030852k | ||
| CHEMBL134566 | 24873 | 0 | None | 1 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 477 | 8 | 1 | 8 | 4.5 | O=C(Cc1ccccc1)Nc1nc2nn(CCCc3ccccc3)cc2c2nc(-c3ccco3)nn12 | 10.1021/jm030852k | ||
| 10994216 | 194896 | 0 | None | -2 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 463 | 7 | 1 | 8 | 4.2 | O=C(Cc1ccccc1)Nc1nc2nn(CCc3ccccc3)cc2c2nc(-c3ccco3)nn12 | 10.1021/jm030852k | ||
| CHEMBL541455 | 194896 | 0 | None | -2 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 463 | 7 | 1 | 8 | 4.2 | O=C(Cc1ccccc1)Nc1nc2nn(CCc3ccccc3)cc2c2nc(-c3ccco3)nn12 | 10.1021/jm030852k | ||
| 44587955 | 188923 | 0 | None | 11 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 397 | 7 | 2 | 8 | 1.8 | CCCn1c(=O)c2[nH]c(-c3ccco3)c(OS(=O)(=O)O)c2n(CCC)c1=O | 10.1016/j.bmc.2008.09.067 | ||
| CHEMBL508090 | 188923 | 0 | None | 11 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 397 | 7 | 2 | 8 | 1.8 | CCCn1c(=O)c2[nH]c(-c3ccco3)c(OS(=O)(=O)O)c2n(CCC)c1=O | 10.1016/j.bmc.2008.09.067 | ||
| 136042342 | 71139 | 0 | None | 8 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 479 | 9 | 2 | 10 | 2.8 | CCCn1c(=O)c2[nH]c(-c3cc(OCc4nc5cc(OC)ccc5[nH]4)no3)nc2n(CCC)c1=O | 10.1021/jm201292w | ||
| CHEMBL1955918 | 71139 | 0 | None | 8 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 479 | 9 | 2 | 10 | 2.8 | CCCn1c(=O)c2[nH]c(-c3cc(OCc4nc5cc(OC)ccc5[nH]4)no3)nc2n(CCC)c1=O | 10.1021/jm201292w | ||
| 135874415 | 95865 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 527 | 8 | 2 | 8 | 3.3 | CCCn1c(=O)c2[nH]c(-c3cc(C)n(CC(=O)Nc4ccc(Br)cc4)n3)nc2n(CCC)c1=O | 10.1016/j.bmc.2007.11.058 | ||
| CHEMBL259177 | 95865 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 527 | 8 | 2 | 8 | 3.3 | CCCn1c(=O)c2[nH]c(-c3cc(C)n(CC(=O)Nc4ccc(Br)cc4)n3)nc2n(CCC)c1=O | 10.1016/j.bmc.2007.11.058 | ||
| 11956193 | 94548 | 9 | None | -12 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 367 | 5 | 1 | 8 | 1.1 | CN1CCN(CC(=O)Nc2cc(-n3cccn3)nc(-c3ccco3)n2)CC1 | 10.1021/jm070623o | ||
| CHEMBL251975 | 94548 | 9 | None | -12 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 367 | 5 | 1 | 8 | 1.1 | CN1CCN(CC(=O)Nc2cc(-n3cccn3)nc(-c3ccco3)n2)CC1 | 10.1021/jm070623o | ||
| 24828457 | 96806 | 0 | None | 27 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 396 | 6 | 1 | 7 | 2.4 | CCCn1c(=O)c2[nH]c(-c3cnn(Cc4cccc(F)c4)c3)nc2n(CC)c1=O | 10.1021/jm7014815 | ||
| CHEMBL265213 | 96806 | 0 | None | 27 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 396 | 6 | 1 | 7 | 2.4 | CCCn1c(=O)c2[nH]c(-c3cnn(Cc4cccc(F)c4)c3)nc2n(CC)c1=O | 10.1021/jm7014815 | ||
| 11647607 | 78065 | 0 | None | 4 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 428 | 7 | 1 | 7 | 2.9 | CCCn1c(=O)c2nc(-c3cnn(Cc4ccc(F)c(F)c4)c3)[nH]c2n(CCC)c1=O | 10.1021/jm051268+ | ||
| CHEMBL210212 | 78065 | 0 | None | 4 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 428 | 7 | 1 | 7 | 2.9 | CCCn1c(=O)c2nc(-c3cnn(Cc4ccc(F)c(F)c4)c3)[nH]c2n(CCC)c1=O | 10.1021/jm051268+ | ||
| 1153 | 1615 | 58 | None | -5 | 10 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | 10.1016/0960-894X(95)00413-N | ||
| 12668023 | 1615 | 58 | None | -5 | 10 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | 10.1016/0960-894X(95)00413-N | ||
| 30026874 | 1615 | 58 | None | -5 | 10 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | 10.1016/0960-894X(95)00413-N | ||
| 30026875 | 1615 | 58 | None | -5 | 10 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | 10.1016/0960-894X(95)00413-N | ||
| 3341 | 1615 | 58 | None | -5 | 10 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | 10.1016/0960-894X(95)00413-N | ||
| 6603851 | 1615 | 58 | None | -5 | 10 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | 10.1016/0960-894X(95)00413-N | ||
| 933 | 1615 | 58 | None | -5 | 10 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | 10.1016/0960-894X(95)00413-N | ||
| 939 | 1615 | 58 | None | -5 | 10 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | 10.1016/0960-894X(95)00413-N | ||
| 985 | 1615 | 58 | None | -5 | 10 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | 10.1016/0960-894X(95)00413-N | ||
| CHEMBL1160786 | 1615 | 58 | None | -5 | 10 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | 10.1016/0960-894X(95)00413-N | ||
| CHEMBL1161520 | 1615 | 58 | None | -5 | 10 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | 10.1016/0960-894X(95)00413-N | ||
| CHEMBL588 | 1615 | 58 | None | -5 | 10 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | 10.1016/0960-894X(95)00413-N | ||
| DB00800 | 1615 | 58 | None | -5 | 10 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | 10.1016/0960-894X(95)00413-N | ||
| 46227951 | 199922 | 0 | None | 2 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 396 | 6 | 0 | 8 | 2.6 | Cn1c(Cc2cccs2)nc2c1c(=O)n(CC1CC1)c(=O)n2Cc1ccco1 | 10.1016/j.bmc.2009.07.034 | ||
| CHEMBL594963 | 199922 | 0 | None | 2 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 396 | 6 | 0 | 8 | 2.6 | Cn1c(Cc2cccs2)nc2c1c(=O)n(CC1CC1)c(=O)n2Cc1ccco1 | 10.1016/j.bmc.2009.07.034 | ||
| 46233377 | 201235 | 0 | None | 2 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 386 | 5 | 0 | 8 | 2.7 | CCn1c(=O)c2c(nc(Cc3cccs3)n2C)n(Cc2cccs2)c1=O | 10.1016/j.bmc.2010.01.028 | ||
| CHEMBL603878 | 201235 | 0 | None | 2 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 386 | 5 | 0 | 8 | 2.7 | CCn1c(=O)c2c(nc(Cc3cccs3)n2C)n(Cc2cccs2)c1=O | 10.1016/j.bmc.2010.01.028 | ||
| 135423046 | 37674 | 0 | None | -77 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 390 | 4 | 3 | 8 | 2.9 | COc1ccc(NC(=O)Nc2nc3n[nH]cc3c3nc(-c4ccco4)nn23)cc1 | 10.1021/jm001047y | ||
| CHEMBL145767 | 37674 | 0 | None | -77 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 390 | 4 | 3 | 8 | 2.9 | COc1ccc(NC(=O)Nc2nc3n[nH]cc3c3nc(-c4ccco4)nn23)cc1 | 10.1021/jm001047y | ||
| 11642231 | 77464 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 528 | 7 | 1 | 7 | 4.7 | CCCn1c(=O)c2nc(-c3cnn(Cc4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3)[nH]c2n(CCC)c1=O | 10.1021/jm051268+ | ||
| CHEMBL208723 | 77464 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 528 | 7 | 1 | 7 | 4.7 | CCCn1c(=O)c2nc(-c3cnn(Cc4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3)[nH]c2n(CCC)c1=O | 10.1021/jm051268+ | ||
| 135633268 | 138949 | 8 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 288 | 3 | 1 | 7 | 2.1 | CC1=C(C(=O)OC(C)C)C(c2ccoc2)n2ncnc2N1 | 10.1021/acs.jmedchem.5b01586 | ||
| CHEMBL3785325 | 138949 | 8 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 288 | 3 | 1 | 7 | 2.1 | CC1=C(C(=O)OC(C)C)C(c2ccoc2)n2ncnc2N1 | 10.1021/acs.jmedchem.5b01586 | ||
| 5613 | 3659 | 35 | None | -45 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 272 | 4 | 1 | 8 | 0.9 | CCCCc1nc(N)c2c(n1)n(C)c(n2)n1nccn1 | 10.1021/jm4011669 | ||
| 9860294 | 3659 | 35 | None | -45 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 272 | 4 | 1 | 8 | 0.9 | CCCCc1nc(N)c2c(n1)n(C)c(n2)n1nccn1 | 10.1021/jm4011669 | ||
| CHEMBL197669 | 3659 | 35 | None | -45 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 272 | 4 | 1 | 8 | 0.9 | CCCCc1nc(N)c2c(n1)n(C)c(n2)n1nccn1 | 10.1021/jm4011669 | ||
| 5613 | 3659 | 35 | None | -45 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 272 | 4 | 1 | 8 | 0.9 | CCCCc1nc(N)c2c(n1)n(C)c(n2)n1nccn1 | 10.1021/jm058018d | ||
| 9860294 | 3659 | 35 | None | -45 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 272 | 4 | 1 | 8 | 0.9 | CCCCc1nc(N)c2c(n1)n(C)c(n2)n1nccn1 | 10.1021/jm058018d | ||
| CHEMBL197669 | 3659 | 35 | None | -45 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 272 | 4 | 1 | 8 | 0.9 | CCCCc1nc(N)c2c(n1)n(C)c(n2)n1nccn1 | 10.1021/jm058018d | ||
| 72697652 | 103989 | 0 | None | -26 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 349 | 3 | 0 | 7 | 0.9 | C#CCn1c(=O)c2c(nc3n2CCCN3Cc2ccccc2)n(C)c1=O | 10.1016/j.bmc.2013.09.044 | ||
| CHEMBL3093310 | 103989 | 0 | None | -26 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 349 | 3 | 0 | 7 | 0.9 | C#CCn1c(=O)c2c(nc3n2CCCN3Cc2ccccc2)n(C)c1=O | 10.1016/j.bmc.2013.09.044 | ||
| 10254700 | 203503 | 6 | None | -478 | 8 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 483 | 5 | 4 | 9 | 0.7 | OC[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)ncnc32)[C@H](O)[C@@H]1O | 10.1021/jm9905965 | ||
| CHEMBL66393 | 203503 | 6 | None | -478 | 8 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 483 | 5 | 4 | 9 | 0.7 | OC[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)ncnc32)[C@H](O)[C@@H]1O | 10.1021/jm9905965 | ||
| CHEMBL5078609 | 214546 | 0 | None | -12 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | None | None | None | CNc1nc(-c2ccccc2)c(C#N)c(-c2cccc(F)c2)n1 | 10.1021/acs.jmedchem.1c01636 | ||||
| 135443359 | 489 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 509 | 9 | 3 | 11 | -0.1 | CCCn1c2=N/C(=c\3/cc([nH]n3C)OCC(=O)Nc3ccc(cc3)C(=O)O)/N=c2c(=O)n(c1=O)CCC | 10.1021/jm0309654 | ||
| 441 | 489 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 509 | 9 | 3 | 11 | -0.1 | CCCn1c2=N/C(=c\3/cc([nH]n3C)OCC(=O)Nc3ccc(cc3)C(=O)O)/N=c2c(=O)n(c1=O)CCC | 10.1021/jm0309654 | ||
| CHEMBL431703 | 489 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 509 | 9 | 3 | 11 | -0.1 | CCCn1c2=N/C(=c\3/cc([nH]n3C)OCC(=O)Nc3ccc(cc3)C(=O)O)/N=c2c(=O)n(c1=O)CCC | 10.1021/jm0309654 | ||
| 135443359 | 489 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 509 | 9 | 3 | 11 | -0.1 | CCCn1c2=N/C(=c\3/cc([nH]n3C)OCC(=O)Nc3ccc(cc3)C(=O)O)/N=c2c(=O)n(c1=O)CCC | 10.1021/jm0309654 | ||
| 441 | 489 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 509 | 9 | 3 | 11 | -0.1 | CCCn1c2=N/C(=c\3/cc([nH]n3C)OCC(=O)Nc3ccc(cc3)C(=O)O)/N=c2c(=O)n(c1=O)CCC | 10.1021/jm0309654 | ||
| CHEMBL431703 | 489 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 509 | 9 | 3 | 11 | -0.1 | CCCn1c2=N/C(=c\3/cc([nH]n3C)OCC(=O)Nc3ccc(cc3)C(=O)O)/N=c2c(=O)n(c1=O)CCC | 10.1021/jm0309654 | ||
| 10859484 | 77629 | 0 | None | -5 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 298 | 3 | 2 | 9 | 1.3 | CCNc1c2c(nc(N)n3nc(-c4ccco4)nc23)nn1C | 10.1021/jm021023m | ||
| CHEMBL20888 | 77629 | 0 | None | -5 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 298 | 3 | 2 | 9 | 1.3 | CCNc1c2c(nc(N)n3nc(-c4ccco4)nc23)nn1C | 10.1021/jm021023m | ||
| CHEMBL544678 | 77629 | 0 | None | -5 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 298 | 3 | 2 | 9 | 1.3 | CCNc1c2c(nc(N)n3nc(-c4ccco4)nc23)nn1C | 10.1021/jm021023m | ||
| 11560510 | 138989 | 0 | None | 1 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 406 | 7 | 1 | 7 | 2.9 | CCCn1c(=O)c2nc(-c3cnn(Cc4cccc(C)c4)c3)[nH]c2n(CCC)c1=O | 10.1021/jm051268+ | ||
| CHEMBL378570 | 138989 | 0 | None | 1 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 406 | 7 | 1 | 7 | 2.9 | CCCn1c(=O)c2nc(-c3cnn(Cc4cccc(C)c4)c3)[nH]c2n(CCC)c1=O | 10.1021/jm051268+ | ||
| 44307827 | 203497 | 0 | None | 1 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 369 | 6 | 2 | 6 | 2.3 | CCCn1c(=O)c2nc(-c3ccc(NC(C)=O)cc3)[nH]c2n(CCC)c1=O | 10.1021/jm0104318 | ||
| CHEMBL66337 | 203497 | 0 | None | 1 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 369 | 6 | 2 | 6 | 2.3 | CCCn1c(=O)c2nc(-c3ccc(NC(C)=O)cc3)[nH]c2n(CCC)c1=O | 10.1021/jm0104318 | ||
| CHEMBL5088622 | 215142 | 0 | None | -5 | 7 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | None | None | None | Nc1nc(-c2ccccc2)c2c(n1)-c1cc(OCCCN3CCCC3)ccc1C2 | 10.1021/acs.jmedchem.0c00914 | ||||
| 128525 | 154700 | 10 | None | 5 | 6 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 194 | 2 | 2 | 4 | -0.2 | CCCn1c(=O)[nH]c2[nH]cnc2c1=O | 10.1021/jm0104318 | ||
| CHEMBL39986 | 154700 | 10 | None | 5 | 6 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 194 | 2 | 2 | 4 | -0.2 | CCCn1c(=O)[nH]c2[nH]cnc2c1=O | 10.1021/jm0104318 | ||
| 11713241 | 78207 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 512 | 7 | 1 | 7 | 4.4 | CCCn1c(=O)c2nc(-c3cnn(Cc4cc(C(F)(F)F)cc(Cl)c4F)c3)[nH]c2n(CCC)c1=O | 10.1021/jm051268+ | ||
| CHEMBL210614 | 78207 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 512 | 7 | 1 | 7 | 4.4 | CCCn1c(=O)c2nc(-c3cnn(Cc4cc(C(F)(F)F)cc(Cl)c4F)c3)[nH]c2n(CCC)c1=O | 10.1021/jm051268+ | ||
| 71681203 | 90179 | 0 | None | -10 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 330 | 5 | 1 | 5 | 3.7 | O=C(CCCc1ccccc1)Nc1nc2sccc2c(=O)s1 | 10.1021/jm400336x | ||
| CHEMBL2382425 | 90179 | 0 | None | -10 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 330 | 5 | 1 | 5 | 3.7 | O=C(CCCc1ccccc1)Nc1nc2sccc2c(=O)s1 | 10.1021/jm400336x | ||
| 71683091 | 89908 | 0 | None | -4 | 6 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 310 | 4 | 1 | 4 | 3.2 | O=C(CCc1ccccc1)Nc1nc2ccccc2c(=O)s1 | 10.1021/jm400336x | ||
| CHEMBL2380385 | 89908 | 0 | None | -4 | 6 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 310 | 4 | 1 | 4 | 3.2 | O=C(CCc1ccccc1)Nc1nc2ccccc2c(=O)s1 | 10.1021/jm400336x | ||
| 52945064 | 19059 | 0 | None | 1 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 538 | 9 | 1 | 4 | 6.0 | Cn1c(=O)c(-c2ccc(F)cc2F)c(CCc2ccccc2)c2cc(OCC(=O)NCc3ccccc3)ccc21 | 10.1016/j.bmcl.2010.10.030 | ||
| CHEMBL1289108 | 19059 | 0 | None | 1 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 538 | 9 | 1 | 4 | 6.0 | Cn1c(=O)c(-c2ccc(F)cc2F)c(CCc2ccccc2)c2cc(OCC(=O)NCc3ccccc3)ccc21 | 10.1016/j.bmcl.2010.10.030 | ||
| 21958639 | 64273 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 520 | 9 | 1 | 9 | 4.7 | CCCn1c(=O)c2nc(-c3ccc(OCc4noc(-c5ccc(Cl)cc5)n4)cc3)[nH]c2n(CCC)c1=O | 10.1016/j.bmcl.2004.11.044 | ||
| CHEMBL181062 | 64273 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 520 | 9 | 1 | 9 | 4.7 | CCCn1c(=O)c2nc(-c3ccc(OCc4noc(-c5ccc(Cl)cc5)n4)cc3)[nH]c2n(CCC)c1=O | 10.1016/j.bmcl.2004.11.044 | ||
| 11386951 | 66855 | 0 | None | -75 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 527 | 9 | 5 | 16 | -0.7 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(N)nc(N[C@H](CO)Cc5ccc([N+](=O)[O-])cc5)nc43)[C@H](O)[C@@H]2O)n1 | 10.1021/jm031143+ | ||
| CHEMBL186403 | 66855 | 0 | None | -75 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 527 | 9 | 5 | 16 | -0.7 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(N)nc(N[C@H](CO)Cc5ccc([N+](=O)[O-])cc5)nc43)[C@H](O)[C@@H]2O)n1 | 10.1021/jm031143+ | ||
| 46880418 | 6307 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 281 | 4 | 1 | 4 | 2.7 | CC(=O)c1nc(NC(=O)C2CC2)ccc1-c1ccncc1 | 10.1016/j.bmcl.2010.01.045 | ||
| CHEMBL1082004 | 6307 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 281 | 4 | 1 | 4 | 2.7 | CC(=O)c1nc(NC(=O)C2CC2)ccc1-c1ccncc1 | 10.1016/j.bmcl.2010.01.045 | ||
| 10379032 | 7489 | 0 | None | 4 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 282 | 3 | 1 | 5 | 1.3 | C=CCn1c(=O)c2[nH]c(-c3ccccc3)nc2n(C)c1=O | 10.1021/jm0104318 | ||
| CHEMBL10873 | 7489 | 0 | None | 4 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 282 | 3 | 1 | 5 | 1.3 | C=CCn1c(=O)c2[nH]c(-c3ccccc3)nc2n(C)c1=O | 10.1021/jm0104318 | ||
| 10961304 | 75983 | 0 | None | -2 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 447 | 6 | 3 | 10 | 3.4 | CCNc1c2c(nc(NC(=O)Nc3ccc(OC)cc3)n3nc(-c4ccco4)nc23)nn1C | 10.1021/jm021023m | ||
| CHEMBL20555 | 75983 | 0 | None | -2 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 447 | 6 | 3 | 10 | 3.4 | CCNc1c2c(nc(NC(=O)Nc3ccc(OC)cc3)n3nc(-c4ccco4)nc23)nn1C | 10.1021/jm021023m | ||
| CHEMBL554955 | 75983 | 0 | None | -2 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 447 | 6 | 3 | 10 | 3.4 | CCNc1c2c(nc(NC(=O)Nc3ccc(OC)cc3)n3nc(-c4ccco4)nc23)nn1C | 10.1021/jm021023m | ||
| 21958681 | 94532 | 0 | None | 40 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 336 | 4 | 2 | 6 | 1.3 | CCn1c(=O)[nH]c2nc(-c3cnn(Cc4ccccc4)c3)[nH]c2c1=O | 10.1016/j.bmcl.2008.01.008 | ||
| CHEMBL251873 | 94532 | 0 | None | 40 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 336 | 4 | 2 | 6 | 1.3 | CCn1c(=O)[nH]c2nc(-c3cnn(Cc4ccccc4)c3)[nH]c2c1=O | 10.1016/j.bmcl.2008.01.008 | ||
| 52944930 | 19262 | 0 | None | 2 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 495 | 9 | 2 | 5 | 5.1 | O=C(COc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccccc3)c2c1)NCc1ccccc1 | 10.1016/j.bmcl.2010.10.030 | ||
| CHEMBL1290436 | 19262 | 0 | None | 2 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 495 | 9 | 2 | 5 | 5.1 | O=C(COc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccccc3)c2c1)NCc1ccccc1 | 10.1016/j.bmcl.2010.10.030 | ||
| 11612320 | 77252 | 0 | None | 1 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 460 | 7 | 1 | 7 | 3.6 | CCCn1c(=O)c2nc(-c3cnn(Cc4ccccc4C(F)(F)F)c3)[nH]c2n(CCC)c1=O | 10.1021/jm051268+ | ||
| CHEMBL208110 | 77252 | 0 | None | 1 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 460 | 7 | 1 | 7 | 3.6 | CCCn1c(=O)c2nc(-c3cnn(Cc4ccccc4C(F)(F)F)c3)[nH]c2n(CCC)c1=O | 10.1021/jm051268+ | ||
| 11633189 | 78228 | 0 | None | 1 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 422 | 8 | 1 | 8 | 2.6 | CCCn1c(=O)c2nc(-c3cnn(Cc4ccc(OC)cc4)c3)[nH]c2n(CCC)c1=O | 10.1021/jm051268+ | ||
| CHEMBL210683 | 78228 | 0 | None | 1 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 422 | 8 | 1 | 8 | 2.6 | CCCn1c(=O)c2nc(-c3cnn(Cc4ccc(OC)cc4)c3)[nH]c2n(CCC)c1=O | 10.1021/jm051268+ | ||
| 11582578 | 140114 | 0 | None | 1 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 422 | 8 | 1 | 8 | 2.6 | CCCn1c(=O)c2nc(-c3cnn(Cc4ccccc4OC)c3)[nH]c2n(CCC)c1=O | 10.1021/jm051268+ | ||
| CHEMBL380219 | 140114 | 0 | None | 1 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 422 | 8 | 1 | 8 | 2.6 | CCCn1c(=O)c2nc(-c3cnn(Cc4ccccc4OC)c3)[nH]c2n(CCC)c1=O | 10.1021/jm051268+ | ||
| 11656185 | 72567 | 0 | None | 1 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 494 | 9 | 2 | 6 | 4.6 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccccc4)cc3)c(Cl)c2n(CCC)c1=O | 10.1021/jm0506221 | ||
| CHEMBL199327 | 72567 | 0 | None | 1 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 494 | 9 | 2 | 6 | 4.6 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccccc4)cc3)c(Cl)c2n(CCC)c1=O | 10.1021/jm0506221 | ||
| 155531922 | 171706 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 377 | 3 | 1 | 6 | 4.0 | CCOC(=O)C1=C(C(F)(F)F)Nc2nc3ccccc3n2C1c1ccoc1 | 10.1016/j.ejmech.2021.113907 | ||
| CHEMBL4467152 | 171706 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 377 | 3 | 1 | 6 | 4.0 | CCOC(=O)C1=C(C(F)(F)F)Nc2nc3ccccc3n2C1c1ccoc1 | 10.1016/j.ejmech.2021.113907 | ||
| 155531922 | 171706 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 377 | 3 | 1 | 6 | 4.0 | CCOC(=O)C1=C(C(F)(F)F)Nc2nc3ccccc3n2C1c1ccoc1 | 10.1021/acs.jmedchem.9b01340 | ||
| CHEMBL4467152 | 171706 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 377 | 3 | 1 | 6 | 4.0 | CCOC(=O)C1=C(C(F)(F)F)Nc2nc3ccccc3n2C1c1ccoc1 | 10.1021/acs.jmedchem.9b01340 | ||
| 135949027 | 178585 | 0 | None | -9 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 277 | 2 | 2 | 5 | 3.2 | N#Cc1c(-c2ccc(O)cc2)cc(-c2ccco2)nc1N | 10.1021/jm701594y | ||
| CHEMBL467366 | 178585 | 0 | None | -9 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 277 | 2 | 2 | 5 | 3.2 | N#Cc1c(-c2ccc(O)cc2)cc(-c2ccco2)nc1N | 10.1021/jm701594y | ||
| 135433658 | 3185 | 3 | None | -371 | 8 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 295 | 2 | 1 | 3 | 2.5 | CC[C@@H]1Cn2c(=N1)c1[nH]c(nc1n(c2=O)C)c1ccccc1 | 10.1016/j.ejmech.2019.111879 | ||
| 5620 | 3185 | 3 | None | -371 | 8 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 295 | 2 | 1 | 3 | 2.5 | CC[C@@H]1Cn2c(=N1)c1[nH]c(nc1n(c2=O)C)c1ccccc1 | 10.1016/j.ejmech.2019.111879 | ||
| 9882625 | 3185 | 3 | None | -371 | 8 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 295 | 2 | 1 | 3 | 2.5 | CC[C@@H]1Cn2c(=N1)c1[nH]c(nc1n(c2=O)C)c1ccccc1 | 10.1016/j.ejmech.2019.111879 | ||
| CHEMBL1625681 | 3185 | 3 | None | -371 | 8 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 295 | 2 | 1 | 3 | 2.5 | CC[C@@H]1Cn2c(=N1)c1[nH]c(nc1n(c2=O)C)c1ccccc1 | 10.1016/j.ejmech.2019.111879 | ||
| 135414399 | 78125 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 330 | 5 | 1 | 7 | 1.4 | CCCn1c(=O)c2nc(-c3cc(C)nn3C)[nH]c2n(CCC)c1=O | 10.1021/jm051268+ | ||
| CHEMBL210389 | 78125 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 330 | 5 | 1 | 7 | 1.4 | CCCn1c(=O)c2nc(-c3cc(C)nn3C)[nH]c2n(CCC)c1=O | 10.1021/jm051268+ | ||
| 17198003 | 138953 | 2 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 353 | 3 | 1 | 6 | 4.3 | CC1=C(C(=O)OC(C)C)C(c2cccs2)n2c(nc3ccccc32)N1 | 10.1021/acs.jmedchem.0c00564 | ||
| CHEMBL3785353 | 138953 | 2 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 353 | 3 | 1 | 6 | 4.3 | CC1=C(C(=O)OC(C)C)C(c2cccs2)n2c(nc3ccccc32)N1 | 10.1021/acs.jmedchem.0c00564 | ||
| 17198003 | 138953 | 2 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 353 | 3 | 1 | 6 | 4.3 | CC1=C(C(=O)OC(C)C)C(c2cccs2)n2c(nc3ccccc32)N1 | 10.1021/acs.jmedchem.5b01586 | ||
| CHEMBL3785353 | 138953 | 2 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 353 | 3 | 1 | 6 | 4.3 | CC1=C(C(=O)OC(C)C)C(c2cccs2)n2c(nc3ccccc32)N1 | 10.1021/acs.jmedchem.5b01586 | ||
| 17198003 | 138953 | 2 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 353 | 3 | 1 | 6 | 4.3 | CC1=C(C(=O)OC(C)C)C(c2cccs2)n2c(nc3ccccc32)N1 | 10.1021/acs.jmedchem.9b01340 | ||
| CHEMBL3785353 | 138953 | 2 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 353 | 3 | 1 | 6 | 4.3 | CC1=C(C(=O)OC(C)C)C(c2cccs2)n2c(nc3ccccc32)N1 | 10.1021/acs.jmedchem.9b01340 | ||
| 11553439 | 72656 | 0 | None | 5 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 415 | 9 | 1 | 8 | 1.7 | CCOC(=O)COc1ccc(-c2cc3c([nH]2)c(=O)n(C)c(=O)n3CCCOC)cc1 | 10.1021/jm0506221 | ||
| CHEMBL199664 | 72656 | 0 | None | 5 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 415 | 9 | 1 | 8 | 1.7 | CCOC(=O)COc1ccc(-c2cc3c([nH]2)c(=O)n(C)c(=O)n3CCCOC)cc1 | 10.1021/jm0506221 | ||
| 46233347 | 200274 | 0 | None | 1 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 380 | 5 | 0 | 7 | 2.6 | CCn1c(=O)c2c(nc(Cc3cccs3)n2C)n(Cc2ccccc2)c1=O | 10.1016/j.bmc.2010.01.028 | ||
| CHEMBL597354 | 200274 | 0 | None | 1 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 380 | 5 | 0 | 7 | 2.6 | CCn1c(=O)c2c(nc(Cc3cccs3)n2C)n(Cc2ccccc2)c1=O | 10.1016/j.bmc.2010.01.028 | ||
| CHEMBL5088305 | 215128 | 0 | None | 1 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | None | None | None | N#Cc1c(-c2ccccc2)cc(SCc2ncc[nH]2)nc1N | 10.1021/acs.jmedchem.0c01856 | ||||
| 10980845 | 137850 | 0 | None | -2 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 344 | 6 | 3 | 6 | 1.0 | CCCn1c(=O)[nH]c2[nH]c(-c3ccc(OCC(=O)O)cc3)nc2c1=O | 10.1021/jm011049y | ||
| CHEMBL37621 | 137850 | 0 | None | -2 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 344 | 6 | 3 | 6 | 1.0 | CCCn1c(=O)[nH]c2[nH]c(-c3ccc(OCC(=O)O)cc3)nc2c1=O | 10.1021/jm011049y | ||
| 50940921 | 57203 | 0 | None | -2 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 395 | 6 | 1 | 5 | 5.6 | CCC(=O)Nc1nc(-c2ccc(SC)cc2)cc(-c2ccc(SC)cc2)n1 | 10.1021/jm100843z | ||
| CHEMBL1650152 | 57203 | 0 | None | -2 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 395 | 6 | 1 | 5 | 5.6 | CCC(=O)Nc1nc(-c2ccc(SC)cc2)cc(-c2ccc(SC)cc2)n1 | 10.1021/jm100843z | ||
| 10475082 | 74 | 23 | None | -1995 | 6 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 383 | 4 | 4 | 9 | 0.8 | OC[C@H]1O[C@H]([C@]([C@@H]1O)(C)O)n1cnc2c1nc(Cl)nc2NC1CCCC1 | 10.1021/jm049408n | ||
| 5591 | 74 | 23 | None | -1995 | 6 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 383 | 4 | 4 | 9 | 0.8 | OC[C@H]1O[C@H]([C@]([C@@H]1O)(C)O)n1cnc2c1nc(Cl)nc2NC1CCCC1 | 10.1021/jm049408n | ||
| CHEMBL251997 | 74 | 23 | None | -1995 | 6 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 383 | 4 | 4 | 9 | 0.8 | OC[C@H]1O[C@H]([C@]([C@@H]1O)(C)O)n1cnc2c1nc(Cl)nc2NC1CCCC1 | 10.1021/jm049408n | ||
| 135546657 | 157674 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 509 | 10 | 2 | 10 | 2.3 | CCCn1c(=O)c2[nH]c(-c3cc(NC(=O)Cc4ccc(OC)c(OC)c4)nn3C)nc2n(CCC)c1=O | 10.1021/jm0309654 | ||
| CHEMBL408186 | 157674 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 509 | 10 | 2 | 10 | 2.3 | CCCn1c(=O)c2[nH]c(-c3cc(NC(=O)Cc4ccc(OC)c(OC)c4)nn3C)nc2n(CCC)c1=O | 10.1021/jm0309654 | ||
| 135546657 | 157674 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 509 | 10 | 2 | 10 | 2.3 | CCCn1c(=O)c2[nH]c(-c3cc(NC(=O)Cc4ccc(OC)c(OC)c4)nn3C)nc2n(CCC)c1=O | 10.1021/jm0309654 | ||
| CHEMBL408186 | 157674 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 509 | 10 | 2 | 10 | 2.3 | CCCn1c(=O)c2[nH]c(-c3cc(NC(=O)Cc4ccc(OC)c(OC)c4)nn3C)nc2n(CCC)c1=O | 10.1021/jm0309654 | ||
| 135546657 | 157674 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 509 | 10 | 2 | 10 | 2.3 | CCCn1c(=O)c2[nH]c(-c3cc(NC(=O)Cc4ccc(OC)c(OC)c4)nn3C)nc2n(CCC)c1=O | 10.1016/j.bmc.2007.11.058 | ||
| CHEMBL408186 | 157674 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 509 | 10 | 2 | 10 | 2.3 | CCCn1c(=O)c2[nH]c(-c3cc(NC(=O)Cc4ccc(OC)c(OC)c4)nn3C)nc2n(CCC)c1=O | 10.1016/j.bmc.2007.11.058 | ||
| 44406607 | 72674 | 0 | None | 8 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 494 | 8 | 1 | 10 | 3.3 | CCCn1c(=O)c2nc(-c3cnn(Cc4noc(-c5ccccc5Cl)n4)c3)[nH]c2n(CCC)c1=O | 10.1016/j.bmcl.2005.10.002 | ||
| CHEMBL199732 | 72674 | 0 | None | 8 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 494 | 8 | 1 | 10 | 3.3 | CCCn1c(=O)c2nc(-c3cnn(Cc4noc(-c5ccccc5Cl)n4)c3)[nH]c2n(CCC)c1=O | 10.1016/j.bmcl.2005.10.002 | ||
| 21958536 | 167540 | 0 | None | 1 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 300 | 4 | 2 | 6 | 0.7 | CCn1c(=O)n(CC2CC2)c(=O)c2[nH]c(-c3cn[nH]c3)nc21 | 10.1021/jm7014815 | ||
| CHEMBL430050 | 167540 | 0 | None | 1 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 300 | 4 | 2 | 6 | 0.7 | CCn1c(=O)n(CC2CC2)c(=O)c2[nH]c(-c3cn[nH]c3)nc21 | 10.1021/jm7014815 | ||
| 135546657 | 157674 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 509 | 10 | 2 | 10 | 2.3 | CCCn1c(=O)c2[nH]c(-c3cc(NC(=O)Cc4ccc(OC)c(OC)c4)nn3C)nc2n(CCC)c1=O | 10.1021/jm051268+ | ||
| CHEMBL408186 | 157674 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 509 | 10 | 2 | 10 | 2.3 | CCCn1c(=O)c2[nH]c(-c3cc(NC(=O)Cc4ccc(OC)c(OC)c4)nn3C)nc2n(CCC)c1=O | 10.1021/jm051268+ | ||
| 11555329 | 73210 | 0 | None | 2 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 512 | 6 | 2 | 7 | 3.0 | COc1cc(-c2cc3c([nH]2)c(=O)n(C)c(=O)n3C)ccc1OCC(=O)Nc1ccc(Br)cc1 | 10.1021/jm0506221 | ||
| CHEMBL201243 | 73210 | 0 | None | 2 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 512 | 6 | 2 | 7 | 3.0 | COc1cc(-c2cc3c([nH]2)c(=O)n(C)c(=O)n3C)ccc1OCC(=O)Nc1ccc(Br)cc1 | 10.1021/jm0506221 | ||
| 44451200 | 96101 | 0 | None | 3 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 587 | 10 | 1 | 8 | 3.8 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(C(=O)OCc5ccccc5)CC4)cc3)cc2n(CCC)c1=O | 10.1016/j.bmc.2008.01.002 | ||
| CHEMBL260433 | 96101 | 0 | None | 3 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 587 | 10 | 1 | 8 | 3.8 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(C(=O)OCc5ccccc5)CC4)cc3)cc2n(CCC)c1=O | 10.1016/j.bmc.2008.01.002 | ||
| 46227974 | 201229 | 0 | None | 5 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 430 | 7 | 0 | 8 | 2.1 | COCCn1c(=O)c2c(nc(Cc3c(F)cccc3F)n2C)n(Cc2ccco2)c1=O | 10.1016/j.bmc.2009.07.034 | ||
| CHEMBL603861 | 201229 | 0 | None | 5 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 430 | 7 | 0 | 8 | 2.1 | COCCn1c(=O)c2c(nc(Cc3c(F)cccc3F)n2C)n(Cc2ccco2)c1=O | 10.1016/j.bmc.2009.07.034 | ||
| 46880331 | 6196 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 281 | 3 | 1 | 6 | 2.2 | CC(=O)Nc1ncc(-c2ccncn2)c(-c2ccco2)n1 | 10.1016/j.bmcl.2010.01.045 | ||
| CHEMBL1081458 | 6196 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 281 | 3 | 1 | 6 | 2.2 | CC(=O)Nc1ncc(-c2ccncn2)c(-c2ccco2)n1 | 10.1016/j.bmcl.2010.01.045 | ||
| 46880417 | 6306 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 273 | 3 | 1 | 3 | 3.1 | O=C(Nc1ccc(-c2ccncc2)c(Cl)n1)C1CC1 | 10.1016/j.bmcl.2010.01.045 | ||
| CHEMBL1082003 | 6306 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 273 | 3 | 1 | 3 | 3.1 | O=C(Nc1ccc(-c2ccncc2)c(Cl)n1)C1CC1 | 10.1016/j.bmcl.2010.01.045 | ||
| 2817023 | 181332 | 6 | None | -31 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 267 | 2 | 1 | 5 | 3.5 | N#Cc1c(-c2ccco2)cc(-c2cccs2)nc1N | 10.1021/jm701594y | ||
| CHEMBL476310 | 181332 | 6 | None | -31 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 267 | 2 | 1 | 5 | 3.5 | N#Cc1c(-c2ccco2)cc(-c2cccs2)nc1N | 10.1021/jm701594y | ||
| 9880921 | 190158 | 0 | None | -57 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 337 | 4 | 1 | 9 | 2.0 | Nc1nc(-c2ccco2)c2nnn(Cc3ccccc3[N+](=O)[O-])c2n1 | 10.1021/jm800961g | ||
| CHEMBL517418 | 190158 | 0 | None | -57 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 337 | 4 | 1 | 9 | 2.0 | Nc1nc(-c2ccco2)c2nnn(Cc3ccccc3[N+](=O)[O-])c2n1 | 10.1021/jm800961g | ||
| CHEMBL5083146 | 214823 | 0 | None | -69 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | None | None | None | N#Cc1c(-c2cccc(Cl)c2)nc(N)nc1-c1ccc2c(c1)OCO2 | 10.1021/acs.jmedchem.1c01636 | ||||
| 72697649 | 104010 | 0 | None | -13 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 413 | 2 | 0 | 7 | 1.8 | C#CCn1c(=O)c2c(nc3n2CCCN3c2cccc(Br)c2)n(C)c1=O | 10.1016/j.bmc.2013.09.044 | ||
| CHEMBL3093331 | 104010 | 0 | None | -13 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 413 | 2 | 0 | 7 | 1.8 | C#CCn1c(=O)c2c(nc3n2CCCN3c2cccc(Br)c2)n(C)c1=O | 10.1016/j.bmc.2013.09.044 | ||
| 44410409 | 75943 | 0 | None | -1949 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 496 | 7 | 5 | 11 | 0.1 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC)nc(C#CC(O)c4ccccc4OC)nc32)[C@H](O)[C@@H]1O | 10.1016/j.bmcl.2006.01.110 | ||
| CHEMBL205327 | 75943 | 0 | None | -1949 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 496 | 7 | 5 | 11 | 0.1 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC)nc(C#CC(O)c4ccccc4OC)nc32)[C@H](O)[C@@H]1O | 10.1016/j.bmcl.2006.01.110 | ||
| 156010696 | 177133 | 0 | None | -128 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 340 | 3 | 1 | 7 | 3.3 | CCOC(=O)C1=C(C)Nc2nc3ccccc3n2C1c1nccs1 | 10.1021/acs.jmedchem.0c00564 | ||
| CHEMBL4634105 | 177133 | 0 | None | -128 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 340 | 3 | 1 | 7 | 3.3 | CCOC(=O)C1=C(C)Nc2nc3ccccc3n2C1c1nccs1 | 10.1021/acs.jmedchem.0c00564 | ||
| 135443353 | 110567 | 0 | None | 11 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 484 | 7 | 3 | 8 | 3.4 | CCCn1c(=O)c2nc(-c3cc(NC(=O)Nc4cccc(Cl)c4)nn3C)[nH]c2n(CCC)c1=O | 10.1021/jm0309654 | ||
| CHEMBL32552 | 110567 | 0 | None | 11 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 484 | 7 | 3 | 8 | 3.4 | CCCn1c(=O)c2nc(-c3cc(NC(=O)Nc4cccc(Cl)c4)nn3C)[nH]c2n(CCC)c1=O | 10.1021/jm0309654 | ||
| 10779327 | 119383 | 0 | None | -15 | 6 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 283 | 3 | 1 | 8 | 1.7 | CCCn1cc2c(nc(N)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm001047y | ||
| CHEMBL344706 | 119383 | 0 | None | -15 | 6 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 283 | 3 | 1 | 8 | 1.7 | CCCn1cc2c(nc(N)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm001047y | ||
| 16720105 | 85352 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 347 | 5 | 1 | 9 | 2.7 | COc1ncc(Nc2ncc(-c3ccncn3)c(-c3ccco3)n2)cn1 | 10.1021/jm061333v | ||
| CHEMBL226236 | 85352 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 347 | 5 | 1 | 9 | 2.7 | COc1ncc(Nc2ncc(-c3ccncn3)c(-c3ccco3)n2)cn1 | 10.1021/jm061333v | ||
| 11698898 | 140337 | 0 | None | 74 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 494 | 8 | 1 | 10 | 3.3 | CCCn1c(=O)c2nc(-c3cnn(Cc4noc(-c5ccc(Cl)cc5)n4)c3)[nH]c2n(CCC)c1=O | 10.1016/j.bmcl.2005.10.002 | ||
| CHEMBL380821 | 140337 | 0 | None | 74 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 494 | 8 | 1 | 10 | 3.3 | CCCn1c(=O)c2nc(-c3cnn(Cc4noc(-c5ccc(Cl)cc5)n4)c3)[nH]c2n(CCC)c1=O | 10.1016/j.bmcl.2005.10.002 | ||
| 655439 | 47366 | 16 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 250 | 3 | 2 | 4 | 1.5 | CCOC(=O)C1=C(C)NC(=O)NC1c1ccoc1 | 10.1021/acs.jmedchem.5b01586 | ||
| CHEMBL1544856 | 47366 | 16 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 250 | 3 | 2 | 4 | 1.5 | CCOC(=O)C1=C(C)NC(=O)NC1c1ccoc1 | 10.1021/acs.jmedchem.5b01586 | ||
| 655439 | 47366 | 16 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 250 | 3 | 2 | 4 | 1.5 | CCOC(=O)C1=C(C)NC(=O)NC1c1ccoc1 | 10.1021/acs.jmedchem.7b00138 | ||
| CHEMBL1544856 | 47366 | 16 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 250 | 3 | 2 | 4 | 1.5 | CCOC(=O)C1=C(C)NC(=O)NC1c1ccoc1 | 10.1021/acs.jmedchem.7b00138 | ||
| 655439 | 47366 | 16 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 250 | 3 | 2 | 4 | 1.5 | CCOC(=O)C1=C(C)NC(=O)NC1c1ccoc1 | 10.1021/acs.jmedchem.0c01431 | ||
| CHEMBL1544856 | 47366 | 16 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 250 | 3 | 2 | 4 | 1.5 | CCOC(=O)C1=C(C)NC(=O)NC1c1ccoc1 | 10.1021/acs.jmedchem.0c01431 | ||
| 655439 | 47366 | 16 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 250 | 3 | 2 | 4 | 1.5 | CCOC(=O)C1=C(C)NC(=O)NC1c1ccoc1 | 10.1021/ml400185v | ||
| CHEMBL1544856 | 47366 | 16 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 250 | 3 | 2 | 4 | 1.5 | CCOC(=O)C1=C(C)NC(=O)NC1c1ccoc1 | 10.1021/ml400185v | ||
| 655439 | 47366 | 16 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 250 | 3 | 2 | 4 | 1.5 | CCOC(=O)C1=C(C)NC(=O)NC1c1ccoc1 | 10.1021/acs.jmedchem.9b01340 | ||
| CHEMBL1544856 | 47366 | 16 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 250 | 3 | 2 | 4 | 1.5 | CCOC(=O)C1=C(C)NC(=O)NC1c1ccoc1 | 10.1021/acs.jmedchem.9b01340 | ||
| 126079 | 4069 | 31 | None | -2 | 8 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 386 | 8 | 2 | 7 | 1.8 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)O | 10.1021/jm0506221 | ||
| 451 | 4069 | 31 | None | -2 | 8 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 386 | 8 | 2 | 7 | 1.8 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)O | 10.1021/jm0506221 | ||
| CHEMBL27041 | 4069 | 31 | None | -2 | 8 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 386 | 8 | 2 | 7 | 1.8 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)O | 10.1021/jm0506221 | ||
| 11174953 | 16730 | 1 | None | -3 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 332 | 4 | 2 | 6 | 3.1 | N#Cc1c(N)nc(SCc2ncc[nH]2)c(C#N)c1-c1ccccc1 | 10.1021/acs.jmedchem.0c01856 | ||
| CHEMBL124345 | 16730 | 1 | None | -3 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 332 | 4 | 2 | 6 | 3.1 | N#Cc1c(N)nc(SCc2ncc[nH]2)c(C#N)c1-c1ccccc1 | 10.1021/acs.jmedchem.0c01856 | ||
| 53354632 | 74257 | 0 | None | -2 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 316 | 2 | 1 | 4 | 4.1 | Nc1nnc(-c2cc(Cl)cc(Cl)c2)c(-c2ccccc2)n1 | 10.1021/jm201376w | ||
| CHEMBL2024112 | 74257 | 0 | None | -2 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 316 | 2 | 1 | 4 | 4.1 | Nc1nnc(-c2cc(Cl)cc(Cl)c2)c(-c2ccccc2)n1 | 10.1021/jm201376w | ||
| 11560981 | 78282 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 428 | 7 | 1 | 7 | 2.9 | CCCn1c(=O)c2nc(-c3cnn(Cc4c(F)cccc4F)c3)[nH]c2n(CCC)c1=O | 10.1021/jm051268+ | ||
| CHEMBL210890 | 78282 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 428 | 7 | 1 | 7 | 2.9 | CCCn1c(=O)c2nc(-c3cnn(Cc4c(F)cccc4F)c3)[nH]c2n(CCC)c1=O | 10.1021/jm051268+ | ||
| 7315331 | 201106 | 1 | None | -5 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 352 | 5 | 1 | 5 | 4.6 | CCOC(=O)Nc1nc(-c2ccccc2)c(C(=O)c2ccccc2)s1 | 10.1016/j.bmc.2010.01.072 | ||
| CHEMBL603129 | 201106 | 1 | None | -5 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 352 | 5 | 1 | 5 | 4.6 | CCOC(=O)Nc1nc(-c2ccccc2)c(C(=O)c2ccccc2)s1 | 10.1016/j.bmc.2010.01.072 | ||
| 10085373 | 10396 | 6 | None | -616 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 286 | 2 | 1 | 6 | 0.6 | COc1ccc(-c2nc3c(=O)n(C)c(=O)n(C)c3[nH]2)cc1 | 10.1021/jm0104318 | ||
| CHEMBL11635 | 10396 | 6 | None | -616 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 286 | 2 | 1 | 6 | 0.6 | COc1ccc(-c2nc3c(=O)n(C)c(=O)n(C)c3[nH]2)cc1 | 10.1021/jm0104318 | ||
| 21874613 | 176155 | 0 | None | -263 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 349 | 4 | 2 | 8 | 2.8 | CC(C)c1cc(Cn2nnc3c(-c4ccco4)nc(N)nc32)ccc1N | 10.1021/jm800961g | ||
| CHEMBL459322 | 176155 | 0 | None | -263 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 349 | 4 | 2 | 8 | 2.8 | CC(C)c1cc(Cn2nnc3c(-c4ccco4)nc(N)nc32)ccc1N | 10.1021/jm800961g | ||
| 72697931 | 103792 | 0 | None | -17 | 5 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 313 | 2 | 0 | 7 | 0.3 | C#CCn1c(=O)c2c(nc3n2CCCN3C2CCC2)n(C)c1=O | 10.1016/j.bmc.2013.09.044 | ||
| CHEMBL3091482 | 103792 | 0 | None | -17 | 5 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 313 | 2 | 0 | 7 | 0.3 | C#CCn1c(=O)c2c(nc3n2CCCN3C2CCC2)n(C)c1=O | 10.1016/j.bmc.2013.09.044 | ||
| 10190 | 932 | 45 | None | -1174 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 407 | 6 | 1 | 10 | 2.1 | Nc1nc(c2ccc(o2)C)c2c(n1)n(nn2)Cc1cccc(n1)CO[C@@H]1COCC1 | 10.1021/acs.jmedchem.0c00237 | ||
| 44537963 | 932 | 45 | None | -1174 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 407 | 6 | 1 | 10 | 2.1 | Nc1nc(c2ccc(o2)C)c2c(n1)n(nn2)Cc1cccc(n1)CO[C@@H]1COCC1 | 10.1021/acs.jmedchem.0c00237 | ||
| CHEMBL4297184 | 932 | 45 | None | -1174 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 407 | 6 | 1 | 10 | 2.1 | Nc1nc(c2ccc(o2)C)c2c(n1)n(nn2)Cc1cccc(n1)CO[C@@H]1COCC1 | 10.1021/acs.jmedchem.0c00237 | ||
| DB16125 | 932 | 45 | None | -1174 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 407 | 6 | 1 | 10 | 2.1 | Nc1nc(c2ccc(o2)C)c2c(n1)n(nn2)Cc1cccc(n1)CO[C@@H]1COCC1 | 10.1021/acs.jmedchem.0c00237 | ||
| 3281 | 1358 | 54 | None | -4265 | 7 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 308 | 3 | 3 | 4 | 3.3 | O[C@@H]1CC[C@H](CC1)Nc1nc(nc2c1cc[nH]2)c1ccccc1 | 10.1016/j.bmc.2010.01.072 | ||
| 9953065 | 1358 | 54 | None | -4265 | 7 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 308 | 3 | 3 | 4 | 3.3 | O[C@@H]1CC[C@H](CC1)Nc1nc(nc2c1cc[nH]2)c1ccccc1 | 10.1016/j.bmc.2010.01.072 | ||
| CHEMBL4204703 | 1358 | 54 | None | -4265 | 7 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 308 | 3 | 3 | 4 | 3.3 | O[C@@H]1CC[C@H](CC1)Nc1nc(nc2c1cc[nH]2)c1ccccc1 | 10.1016/j.bmc.2010.01.072 | ||
| CHEMBL592435 | 1358 | 54 | None | -4265 | 7 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 308 | 3 | 3 | 4 | 3.3 | O[C@@H]1CC[C@H](CC1)Nc1nc(nc2c1cc[nH]2)c1ccccc1 | 10.1016/j.bmc.2010.01.072 | ||
| DB12446 | 1358 | 54 | None | -4265 | 7 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 308 | 3 | 3 | 4 | 3.3 | O[C@@H]1CC[C@H](CC1)Nc1nc(nc2c1cc[nH]2)c1ccccc1 | 10.1016/j.bmc.2010.01.072 | ||
| 57429645 | 156984 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 557 | 8 | 1 | 8 | 4.2 | CCCn1c(=O)c2[nH]c(-c3cnn(C(C)C4CC(=O)N(c5cccc(C(F)(F)F)c5)C4)c3)nc2n(CCC)c1=O | 10.1016/j.ejmech.2016.11.007 | ||
| CHEMBL4073346 | 156984 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 557 | 8 | 1 | 8 | 4.2 | CCCn1c(=O)c2[nH]c(-c3cnn(C(C)C4CC(=O)N(c5cccc(C(F)(F)F)c5)C4)c3)nc2n(CCC)c1=O | 10.1016/j.ejmech.2016.11.007 | ||
| 69031481 | 157053 | 0 | None | 81 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 529 | 7 | 1 | 8 | 3.3 | CCCn1c(=O)c2[nH]c(-c3cnn(CC4CC(=O)N(c5ccc(C(F)(F)F)cc5)C4)c3)nc2n(CC)c1=O | 10.1016/j.ejmech.2016.11.007 | ||
| CHEMBL4074253 | 157053 | 0 | None | 81 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 529 | 7 | 1 | 8 | 3.3 | CCCn1c(=O)c2[nH]c(-c3cnn(CC4CC(=O)N(c5ccc(C(F)(F)F)cc5)C4)c3)nc2n(CC)c1=O | 10.1016/j.ejmech.2016.11.007 | ||
| 69029798 | 158186 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 520 | 9 | 1 | 8 | 3.3 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC4CC(=O)N(c5ccc(F)cc5)C4)nc3)nc2n(CCC)c1=O | 10.1016/j.ejmech.2016.11.007 | ||
| CHEMBL4088043 | 158186 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 520 | 9 | 1 | 8 | 3.3 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC4CC(=O)N(c5ccc(F)cc5)C4)nc3)nc2n(CCC)c1=O | 10.1016/j.ejmech.2016.11.007 | ||
| 66893509 | 158476 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 559 | 9 | 1 | 9 | 3.5 | CCCn1c(=O)c2[nH]c(-c3cnn(CC4CC(=O)N(c5ccc(OC(F)(F)F)cc5)C4)c3)nc2n(CCC)c1=O | 10.1016/j.ejmech.2016.11.007 | ||
| CHEMBL4091110 | 158476 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 559 | 9 | 1 | 9 | 3.5 | CCCn1c(=O)c2[nH]c(-c3cnn(CC4CC(=O)N(c5ccc(OC(F)(F)F)cc5)C4)c3)nc2n(CCC)c1=O | 10.1016/j.ejmech.2016.11.007 | ||
| 46880507 | 6122 | 0 | None | 8 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 333 | 4 | 1 | 3 | 4.3 | O=C(Nc1ccc(-c2ccncc2)c(-c2ccc(F)cc2)n1)C1CC1 | 10.1016/j.bmcl.2010.01.045 | ||
| CHEMBL1081038 | 6122 | 0 | None | 8 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 333 | 4 | 1 | 3 | 4.3 | O=C(Nc1ccc(-c2ccncc2)c(-c2ccc(F)cc2)n1)C1CC1 | 10.1016/j.bmcl.2010.01.045 | ||
| 46866592 | 6299 | 0 | None | 60 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 306 | 4 | 1 | 5 | 3.1 | O=C(Nc1ccc(-c2ccncn2)c(-c2ccco2)n1)C1CC1 | 10.1016/j.bmcl.2010.01.045 | ||
| 46866592 | 6299 | 0 | None | 60 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 306 | 4 | 1 | 5 | 3.1 | O=C(Nc1ccc(-c2ccncn2)c(-c2ccco2)n1)C1CC1 | 10.1016/j.bmcl.2010.01.077 | ||
| CHEMBL1081971 | 6299 | 0 | None | 60 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 306 | 4 | 1 | 5 | 3.1 | O=C(Nc1ccc(-c2ccncn2)c(-c2ccco2)n1)C1CC1 | 10.1016/j.bmcl.2010.01.045 | ||
| CHEMBL1081971 | 6299 | 0 | None | 60 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 306 | 4 | 1 | 5 | 3.1 | O=C(Nc1ccc(-c2ccncn2)c(-c2ccco2)n1)C1CC1 | 10.1016/j.bmcl.2010.01.077 | ||
| 56924646 | 71143 | 0 | None | 186 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 332 | 5 | 2 | 7 | 0.4 | CCCn1c(=O)c2[nH]c(-c3cc(=O)[nH]n3C)nc2n(CCC)c1=O | 10.1021/jm201292w | ||
| CHEMBL1955922 | 71143 | 0 | None | 186 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 332 | 5 | 2 | 7 | 0.4 | CCCn1c(=O)c2[nH]c(-c3cc(=O)[nH]n3C)nc2n(CCC)c1=O | 10.1021/jm201292w | ||
| 49797905 | 10711 | 0 | None | -1 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 517 | 7 | 1 | 7 | 5.2 | CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3cnn(Cc4cccc(C(F)(F)F)c4)c3)sc12 | 10.1016/j.bmcl.2011.02.053 | ||
| CHEMBL1171164 | 10711 | 0 | None | -1 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 517 | 7 | 1 | 7 | 5.2 | CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3cnn(Cc4cccc(C(F)(F)F)c4)c3)sc12 | 10.1016/j.bmcl.2011.02.053 | ||
| 49797748 | 10588 | 0 | None | 25 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 480 | 6 | 1 | 6 | 4.6 | CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(C(=O)N4CCCCC4)cc3)sc12 | 10.1016/j.bmcl.2010.05.056 | ||
| CHEMBL1170135 | 10588 | 0 | None | 25 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 480 | 6 | 1 | 6 | 4.6 | CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(C(=O)N4CCCCC4)cc3)sc12 | 10.1016/j.bmcl.2010.05.056 | ||
| 49797905 | 10711 | 0 | None | -1 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 517 | 7 | 1 | 7 | 5.2 | CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3cnn(Cc4cccc(C(F)(F)F)c4)c3)sc12 | 10.1016/j.bmcl.2010.05.056 | ||
| CHEMBL1171164 | 10711 | 0 | None | -1 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 517 | 7 | 1 | 7 | 5.2 | CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3cnn(Cc4cccc(C(F)(F)F)c4)c3)sc12 | 10.1016/j.bmcl.2010.05.056 | ||
| 49797773 | 10825 | 0 | None | 17 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 490 | 8 | 1 | 7 | 3.3 | CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(CN(C)S(C)(=O)=O)cc3)sc12 | 10.1016/j.bmcl.2010.05.056 | ||
| CHEMBL1172277 | 10825 | 0 | None | 17 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 490 | 8 | 1 | 7 | 3.3 | CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(CN(C)S(C)(=O)=O)cc3)sc12 | 10.1016/j.bmcl.2010.05.056 | ||
| 11555462 | 73007 | 0 | None | 11 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 522 | 10 | 2 | 6 | 4.7 | CCCn1c(=O)c2[nH]c(-c3ccc(OC(C)C(=O)NCc4ccc(Cl)cc4)cc3)cc2n(CCC)c1=O | 10.1021/jm0506221 | ||
| CHEMBL201028 | 73007 | 0 | None | 11 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 522 | 10 | 2 | 6 | 4.7 | CCCn1c(=O)c2[nH]c(-c3ccc(OC(C)C(=O)NCc4ccc(Cl)cc4)cc3)cc2n(CCC)c1=O | 10.1021/jm0506221 | ||
| 136042340 | 71137 | 0 | None | 21 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 527 | 8 | 2 | 9 | 3.6 | CCCn1c(=O)c2[nH]c(-c3cc(OCc4nc5cc(Br)ccc5[nH]4)no3)nc2n(CCC)c1=O | 10.1021/jm201292w | ||
| CHEMBL1955916 | 71137 | 0 | None | 21 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 527 | 8 | 2 | 9 | 3.6 | CCCn1c(=O)c2[nH]c(-c3cc(OCc4nc5cc(Br)ccc5[nH]4)no3)nc2n(CCC)c1=O | 10.1021/jm201292w | ||
| 46229141 | 199108 | 0 | None | 23 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 614 | 25 | 1 | 10 | 4.8 | C=CCCCCCCCCCCOCCOCCOCCOCCOc1ccc(-c2nc3c([nH]2)c(=O)n(C)c(=O)n3C)cc1 | 10.1016/j.bmc.2010.02.014 | ||
| CHEMBL589251 | 199108 | 0 | None | 23 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 614 | 25 | 1 | 10 | 4.8 | C=CCCCCCCCCCCOCCOCCOCCOCCOc1ccc(-c2nc3c([nH]2)c(=O)n(C)c(=O)n3C)cc1 | 10.1016/j.bmc.2010.02.014 | ||
| 44451053 | 96075 | 0 | None | 41 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 597 | 9 | 1 | 7 | 4.7 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(c5ccc(C(F)(F)F)cc5)CC4)cc3)cc2n(CCC)c1=O | 10.1016/j.bmc.2008.01.002 | ||
| CHEMBL260221 | 96075 | 0 | None | 41 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 597 | 9 | 1 | 7 | 4.7 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(c5ccc(C(F)(F)F)cc5)CC4)cc3)cc2n(CCC)c1=O | 10.1016/j.bmc.2008.01.002 | ||
| 44451285 | 161248 | 0 | None | 31 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 541 | 5 | 1 | 7 | 3.0 | Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(c5ccc(C(F)(F)F)cc5)CC4)cc3)cc2n(C)c1=O | 10.1016/j.bmc.2008.01.002 | ||
| CHEMBL412063 | 161248 | 0 | None | 31 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 541 | 5 | 1 | 7 | 3.0 | Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(c5ccc(C(F)(F)F)cc5)CC4)cc3)cc2n(C)c1=O | 10.1016/j.bmc.2008.01.002 | ||
| 44451126 | 166861 | 0 | None | 134 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 529 | 7 | 1 | 7 | 3.6 | CCCn1c(=O)n(C)c(=O)c2[nH]c(-c3ccc(OC(C)(C)C(=O)N4CCN(c5ccccc5)CC4)cc3)cc21 | 10.1016/j.bmc.2008.01.002 | ||
| CHEMBL428604 | 166861 | 0 | None | 134 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 529 | 7 | 1 | 7 | 3.6 | CCCn1c(=O)n(C)c(=O)c2[nH]c(-c3ccc(OC(C)(C)C(=O)N4CCN(c5ccccc5)CC4)cc3)cc21 | 10.1016/j.bmc.2008.01.002 | ||
| 11690712 | 77763 | 0 | None | 1 | 5 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 439 | 7 | 3 | 6 | 2.0 | CCCn1c(=O)[nH]c2[nH]c(-c3ccc(S(=O)(=O)NCc4ccccc4)cc3)nc2c1=O | 10.1021/jm060277v | ||
| CHEMBL209230 | 77763 | 0 | None | 1 | 5 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 439 | 7 | 3 | 6 | 2.0 | CCCn1c(=O)[nH]c2[nH]c(-c3ccc(S(=O)(=O)NCc4ccccc4)cc3)nc2c1=O | 10.1021/jm060277v | ||
| 44451123 | 95809 | 0 | None | 151 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 570 | 7 | 1 | 8 | 3.5 | CCCn1c(=O)n(C)c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(c5c(Cl)cncc5Cl)CC4)cc3)cc21 | 10.1016/j.bmc.2008.01.002 | ||
| CHEMBL258948 | 95809 | 0 | None | 151 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 570 | 7 | 1 | 8 | 3.5 | CCCn1c(=O)n(C)c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(c5c(Cl)cncc5Cl)CC4)cc3)cc21 | 10.1016/j.bmc.2008.01.002 | ||
| 155562182 | 175692 | 0 | None | 22 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 510 | 6 | 3 | 8 | 1.7 | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(c5ccc(O)cc5)CC4)cc3)[nH]c2c1=O | 10.1021/acs.jmedchem.9b00071 | ||
| CHEMBL4582353 | 175692 | 0 | None | 22 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 510 | 6 | 3 | 8 | 1.7 | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(c5ccc(O)cc5)CC4)cc3)[nH]c2c1=O | 10.1021/acs.jmedchem.9b00071 | ||
| 155553575 | 174163 | 0 | None | 75 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 556 | 7 | 1 | 8 | 3.1 | CCCn1c(=O)c2[nH]c(-c3ccc(S(=O)(=O)N4CCN(c5ccc(Cl)cc5)CC4)cc3)nc2n(CC)c1=O | 10.1021/acs.jmedchem.9b00071 | ||
| CHEMBL4547661 | 174163 | 0 | None | 75 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 556 | 7 | 1 | 8 | 3.1 | CCCn1c(=O)c2[nH]c(-c3ccc(S(=O)(=O)N4CCN(c5ccc(Cl)cc5)CC4)cc3)nc2n(CC)c1=O | 10.1021/acs.jmedchem.9b00071 | ||
| 10970127 | 121046 | 0 | None | 4 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 348 | 3 | 2 | 4 | 2.3 | CCCn1c(=O)[nH]c2[nH]c(-c3ccc(Br)cc3)nc2c1=O | 10.1021/jm011049y | ||
| CHEMBL35701 | 121046 | 0 | None | 4 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 348 | 3 | 2 | 4 | 2.3 | CCCn1c(=O)[nH]c2[nH]c(-c3ccc(Br)cc3)nc2c1=O | 10.1021/jm011049y | ||
| 11568359 | 78197 | 0 | None | 2 | 6 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 439 | 6 | 2 | 7 | 1.1 | Cn1c(=O)c2nc(-c3ccc(S(=O)(=O)NCCc4ccccc4)cc3)[nH]c2n(C)c1=O | 10.1021/jm060277v | ||
| CHEMBL210585 | 78197 | 0 | None | 2 | 6 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 439 | 6 | 2 | 7 | 1.1 | Cn1c(=O)c2nc(-c3ccc(S(=O)(=O)NCCc4ccccc4)cc3)[nH]c2n(C)c1=O | 10.1021/jm060277v | ||
| 69030381 | 158817 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 529 | 7 | 1 | 8 | 3.3 | CCCn1c(=O)c2[nH]c(-c3cnn(CC4CC(=O)N(c5cccc(C(F)(F)F)c5)C4)c3)nc2n(CC)c1=O | 10.1016/j.ejmech.2016.11.007 | ||
| CHEMBL4094755 | 158817 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 529 | 7 | 1 | 8 | 3.3 | CCCn1c(=O)c2[nH]c(-c3cnn(CC4CC(=O)N(c5cccc(C(F)(F)F)c5)C4)c3)nc2n(CC)c1=O | 10.1016/j.ejmech.2016.11.007 | ||
| 69031242 | 155784 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 520 | 9 | 1 | 8 | 3.3 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC4CC(=O)N(c5cccc(F)c5)C4)nc3)nc2n(CCC)c1=O | 10.1016/j.ejmech.2016.11.007 | ||
| CHEMBL4059759 | 155784 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 520 | 9 | 1 | 8 | 3.3 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC4CC(=O)N(c5cccc(F)c5)C4)nc3)nc2n(CCC)c1=O | 10.1016/j.ejmech.2016.11.007 | ||
| 11663068 | 72708 | 0 | None | 3 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 484 | 9 | 2 | 6 | 4.0 | O=C(COc1ccc(-c2cc3c([nH]2)c(=O)n(CC2CC2)c(=O)n3CC2CC2)cc1)Nc1ccccc1 | 10.1021/jm0506221 | ||
| CHEMBL199862 | 72708 | 0 | None | 3 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 484 | 9 | 2 | 6 | 4.0 | O=C(COc1ccc(-c2cc3c([nH]2)c(=O)n(CC2CC2)c(=O)n3CC2CC2)cc1)Nc1ccccc1 | 10.1021/jm0506221 | ||
| 44450849 | 161281 | 0 | None | 33 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 514 | 8 | 1 | 6 | 4.3 | CCCn1c(=O)c2[nH]c(-c3ccc(OC(C)C(=O)N4CCc5ccccc5C4)cc3)cc2n(CCC)c1=O | 10.1016/j.bmc.2008.01.002 | ||
| CHEMBL412293 | 161281 | 0 | None | 33 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 514 | 8 | 1 | 6 | 4.3 | CCCn1c(=O)c2[nH]c(-c3ccc(OC(C)C(=O)N4CCc5ccccc5C4)cc3)cc2n(CCC)c1=O | 10.1016/j.bmc.2008.01.002 | ||
| 15627855 | 98279 | 0 | None | 9 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 270 | 3 | 2 | 4 | 1.5 | CCCn1c(=O)[nH]c2[nH]c(-c3ccccc3)nc2c1=O | 10.1021/jm0310030 | ||
| CHEMBL274855 | 98279 | 0 | None | 9 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 270 | 3 | 2 | 4 | 1.5 | CCCn1c(=O)[nH]c2[nH]c(-c3ccccc3)nc2c1=O | 10.1021/jm0310030 | ||
| 15627855 | 98279 | 0 | None | 9 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 270 | 3 | 2 | 4 | 1.5 | CCCn1c(=O)[nH]c2[nH]c(-c3ccccc3)nc2c1=O | 10.1021/jm011049y | ||
| CHEMBL274855 | 98279 | 0 | None | 9 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 270 | 3 | 2 | 4 | 1.5 | CCCn1c(=O)[nH]c2[nH]c(-c3ccccc3)nc2c1=O | 10.1021/jm011049y | ||
| 11553509 | 72643 | 0 | None | 1 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 418 | 5 | 2 | 6 | 2.6 | CC(Oc1ccc(-c2cc3c([nH]2)c(=O)n(C)c(=O)n3C)cc1)C(=O)Nc1ccccc1 | 10.1021/jm0506221 | ||
| CHEMBL199611 | 72643 | 0 | None | 1 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 418 | 5 | 2 | 6 | 2.6 | CC(Oc1ccc(-c2cc3c([nH]2)c(=O)n(C)c(=O)n3C)cc1)C(=O)Nc1ccccc1 | 10.1021/jm0506221 | ||
| 11649117 | 140523 | 0 | None | 3 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 506 | 10 | 2 | 6 | 4.9 | CCCn1c(=O)c2[nH]c(-c3ccc(OC(CC)C(=O)Nc4ccc(F)cc4)cc3)cc2n(CCC)c1=O | 10.1021/jm0506221 | ||
| CHEMBL381091 | 140523 | 0 | None | 3 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 506 | 10 | 2 | 6 | 4.9 | CCCn1c(=O)c2[nH]c(-c3ccc(OC(CC)C(=O)Nc4ccc(F)cc4)cc3)cc2n(CCC)c1=O | 10.1021/jm0506221 | ||
| 44451021 | 95837 | 0 | None | 33 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 529 | 9 | 1 | 7 | 3.7 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(c5ccccc5)CC4)cc3)cc2n(CCC)c1=O | 10.1016/j.bmc.2008.01.002 | ||
| CHEMBL259057 | 95837 | 0 | None | 33 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 529 | 9 | 1 | 7 | 3.7 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(c5ccccc5)CC4)cc3)cc2n(CCC)c1=O | 10.1016/j.bmc.2008.01.002 | ||
| 11590537 | 74976 | 0 | None | 4 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 452 | 6 | 2 | 6 | 2.6 | Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NCc4ccc(Cl)cc4)cc3)cc2n(C)c1=O | 10.1021/jm0506221 | ||
| CHEMBL203305 | 74976 | 0 | None | 4 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 452 | 6 | 2 | 6 | 2.6 | Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NCc4ccc(Cl)cc4)cc3)cc2n(C)c1=O | 10.1021/jm0506221 | ||
| 44451099 | 96265 | 0 | None | 81 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 561 | 11 | 1 | 9 | 2.2 | COCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(c5ccccc5)CC4)cc3)cc2n(CCOC)c1=O | 10.1016/j.bmc.2008.01.002 | ||
| CHEMBL261212 | 96265 | 0 | None | 81 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 561 | 11 | 1 | 9 | 2.2 | COCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(c5ccccc5)CC4)cc3)cc2n(CCOC)c1=O | 10.1016/j.bmc.2008.01.002 | ||
| 57429603 | 157357 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 484 | 6 | 1 | 7 | 3.6 | CCCn1c(=O)c2[nH]c(-c3cnn(CC#Cc4cccc(C(F)(F)F)c4)c3)nc2n(CCC)c1=O | 10.1016/j.ejmech.2017.04.014 | ||
| CHEMBL4078183 | 157357 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 484 | 6 | 1 | 7 | 3.6 | CCCn1c(=O)c2[nH]c(-c3cnn(CC#Cc4cccc(C(F)(F)F)c4)c3)nc2n(CCC)c1=O | 10.1016/j.ejmech.2017.04.014 | ||
| 76314450 | 105486 | 0 | None | -12 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 343 | 5 | 1 | 7 | 0.6 | CN(C)CCOc1ccc(-c2nc3c([nH]2)c(=O)n(C)c(=O)n3C)cc1 | 10.1016/j.ejmech.2014.01.045 | ||
| CHEMBL3121720 | 105486 | 0 | None | -12 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 343 | 5 | 1 | 7 | 0.6 | CN(C)CCOc1ccc(-c2nc3c([nH]2)c(=O)n(C)c(=O)n3C)cc1 | 10.1016/j.ejmech.2014.01.045 | ||
| 126079 | 4069 | 31 | None | -2 | 8 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 386 | 8 | 2 | 7 | 1.8 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)O | 10.1021/jm0104318 | ||
| 451 | 4069 | 31 | None | -2 | 8 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 386 | 8 | 2 | 7 | 1.8 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)O | 10.1021/jm0104318 | ||
| CHEMBL27041 | 4069 | 31 | None | -2 | 8 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 386 | 8 | 2 | 7 | 1.8 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)O | 10.1021/jm0104318 | ||
| 10863425 | 56708 | 0 | None | 2 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 456 | 4 | 2 | 8 | 4.7 | CCn1cc2c(nc(NC(=O)Nc3ccc(Cl)c(Cl)c3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm0109614 | ||
| CHEMBL164275 | 56708 | 0 | None | 2 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 456 | 4 | 2 | 8 | 4.7 | CCn1cc2c(nc(NC(=O)Nc3ccc(Cl)c(Cl)c3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm0109614 | ||
| 135874430 | 160106 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 517 | 8 | 2 | 8 | 3.8 | CCCn1c(=O)c2[nH]c(-c3cc(C)n(CC(=O)Nc4ccc(Cl)c(Cl)c4)n3)nc2n(CCC)c1=O | 10.1016/j.bmc.2007.11.058 | ||
| CHEMBL410895 | 160106 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 517 | 8 | 2 | 8 | 3.8 | CCCn1c(=O)c2[nH]c(-c3cc(C)n(CC(=O)Nc4ccc(Cl)c(Cl)c4)n3)nc2n(CCC)c1=O | 10.1016/j.bmc.2007.11.058 | ||
| 11596614 | 77070 | 0 | None | -1 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 406 | 7 | 1 | 7 | 2.9 | CCCn1c(=O)c2nc(-c3cnn(Cc4ccc(C)cc4)c3)[nH]c2n(CCC)c1=O | 10.1021/jm051268+ | ||
| CHEMBL207524 | 77070 | 0 | None | -1 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 406 | 7 | 1 | 7 | 2.9 | CCCn1c(=O)c2nc(-c3cnn(Cc4ccc(C)cc4)c3)[nH]c2n(CCC)c1=O | 10.1021/jm051268+ | ||
| CHEMBL5094532 | 215478 | 0 | None | -2 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | None | None | None | N#Cc1c(-c2ccccc2)nc(N)nc1-c1cccs1 | 10.1021/acs.jmedchem.1c01636 | ||||
| 163215620 | 190319 | 0 | None | -398 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 318 | 3 | 2 | 6 | 1.8 | Nc1nc(C(=O)NCc2ccccn2)cn2c1nc1ccccc12 | 10.1021/acs.jmedchem.2c00101 | ||
| CHEMBL5176737 | 190319 | 0 | None | -398 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 318 | 3 | 2 | 6 | 1.8 | Nc1nc(C(=O)NCc2ccccn2)cn2c1nc1ccccc12 | 10.1021/acs.jmedchem.2c00101 | ||
| CHEMBL5203105 | 190319 | 0 | None | -398 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 318 | 3 | 2 | 6 | 1.8 | Nc1nc(C(=O)NCc2ccccn2)cn2c1nc1ccccc12 | 10.1021/acs.jmedchem.2c00101 | ||
| 49798161 | 10723 | 0 | None | 4 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 537 | 6 | 1 | 9 | 3.6 | COc1cc(OCc2nc(-c3ccc(Br)cc3)no2)ccc1-c1cc2c([nH]1)c(=O)n(C)c(=O)n2C | 10.1016/j.ejmech.2010.03.011 | ||
| CHEMBL1171379 | 10723 | 0 | None | 4 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 537 | 6 | 1 | 9 | 3.6 | COc1cc(OCc2nc(-c3ccc(Br)cc3)no2)ccc1-c1cc2c([nH]1)c(=O)n(C)c(=O)n2C | 10.1016/j.ejmech.2010.03.011 | ||
| 2748294 | 41347 | 21 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 264 | 3 | 2 | 4 | 1.9 | CC1=C(C(=O)OC(C)C)C(c2ccco2)NC(=O)N1 | 10.1021/acs.jmedchem.5b01586 | ||
| CHEMBL1490082 | 41347 | 21 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 264 | 3 | 2 | 4 | 1.9 | CC1=C(C(=O)OC(C)C)C(c2ccco2)NC(=O)N1 | 10.1021/acs.jmedchem.5b01586 | ||
| 2748294 | 41347 | 21 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 264 | 3 | 2 | 4 | 1.9 | CC1=C(C(=O)OC(C)C)C(c2ccco2)NC(=O)N1 | 10.1021/acs.jmedchem.7b00138 | ||
| CHEMBL1490082 | 41347 | 21 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 264 | 3 | 2 | 4 | 1.9 | CC1=C(C(=O)OC(C)C)C(c2ccco2)NC(=O)N1 | 10.1021/acs.jmedchem.7b00138 | ||
| 2748294 | 41347 | 21 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 264 | 3 | 2 | 4 | 1.9 | CC1=C(C(=O)OC(C)C)C(c2ccco2)NC(=O)N1 | 10.1021/acs.jmedchem.0c01431 | ||
| CHEMBL1490082 | 41347 | 21 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 264 | 3 | 2 | 4 | 1.9 | CC1=C(C(=O)OC(C)C)C(c2ccco2)NC(=O)N1 | 10.1021/acs.jmedchem.0c01431 | ||
| 2748294 | 41347 | 21 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 264 | 3 | 2 | 4 | 1.9 | CC1=C(C(=O)OC(C)C)C(c2ccco2)NC(=O)N1 | 10.1021/ml400185v | ||
| CHEMBL1490082 | 41347 | 21 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 264 | 3 | 2 | 4 | 1.9 | CC1=C(C(=O)OC(C)C)C(c2ccco2)NC(=O)N1 | 10.1021/ml400185v | ||
| 2748294 | 41347 | 21 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 264 | 3 | 2 | 4 | 1.9 | CC1=C(C(=O)OC(C)C)C(c2ccco2)NC(=O)N1 | 10.1021/acs.jmedchem.9b01340 | ||
| CHEMBL1490082 | 41347 | 21 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 264 | 3 | 2 | 4 | 1.9 | CC1=C(C(=O)OC(C)C)C(c2ccco2)NC(=O)N1 | 10.1021/acs.jmedchem.9b01340 | ||
| 10661707 | 161815 | 0 | None | -8 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 297 | 1 | 1 | 8 | 2.1 | CC(C)(C)n1cc2c(nc(N)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm001047y | ||
| CHEMBL414620 | 161815 | 0 | None | -8 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 297 | 1 | 1 | 8 | 2.1 | CC(C)(C)n1cc2c(nc(N)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm001047y | ||
| 11162618 | 195479 | 0 | None | -154 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 308 | 4 | 2 | 5 | 2.6 | Cc1cccc(CNC(=O)c2cc(-c3ccco3)nc(N)n2)c1 | 10.1016/j.bmcl.2009.03.142 | ||
| CHEMBL553449 | 195479 | 0 | None | -154 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 308 | 4 | 2 | 5 | 2.6 | Cc1cccc(CNC(=O)c2cc(-c3ccco3)nc(N)n2)c1 | 10.1016/j.bmcl.2009.03.142 | ||
| 156010620 | 177011 | 0 | None | -79 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 323 | 3 | 2 | 6 | 2.6 | CCOC(=O)C1=C(C)Nc2nc3ccccc3n2C1c1ncc[nH]1 | 10.1021/acs.jmedchem.0c00564 | ||
| CHEMBL4632427 | 177011 | 0 | None | -79 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 323 | 3 | 2 | 6 | 2.6 | CCOC(=O)C1=C(C)Nc2nc3ccccc3n2C1c1ncc[nH]1 | 10.1021/acs.jmedchem.0c00564 | ||
| 162665941 | 182354 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 292 | 3 | 2 | 4 | 2.5 | CC1=C(C(=O)OC2CCC2)C(c2ccsc2)NC(=O)N1 | 10.1021/acs.jmedchem.0c01431 | ||
| CHEMBL4785137 | 182354 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 292 | 3 | 2 | 4 | 2.5 | CC1=C(C(=O)OC2CCC2)C(c2ccsc2)NC(=O)N1 | 10.1021/acs.jmedchem.0c01431 | ||
| 14969717 | 203734 | 0 | None | 18 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 256 | 3 | 2 | 4 | 0.7 | O=c1[nH]c2[nH]cnc2c(=O)n1CCc1ccccc1 | 10.1021/jm0104318 | ||
| CHEMBL67949 | 203734 | 0 | None | 18 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 256 | 3 | 2 | 4 | 0.7 | O=c1[nH]c2[nH]cnc2c(=O)n1CCc1ccccc1 | 10.1021/jm0104318 | ||
| 71681051 | 90176 | 0 | None | -4 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 338 | 5 | 1 | 4 | 3.9 | Cc1ccc2nc(NC(=O)CCCc3ccccc3)sc(=O)c2c1 | 10.1021/jm400336x | ||
| CHEMBL2382420 | 90176 | 0 | None | -4 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 338 | 5 | 1 | 4 | 3.9 | Cc1ccc2nc(NC(=O)CCCc3ccccc3)sc(=O)c2c1 | 10.1021/jm400336x | ||
| 135440168 | 99927 | 0 | None | 23 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 466 | 9 | 2 | 10 | 1.5 | CCCn1c(=O)c2nc(-c3cc(OCC(=O)Nc4ccncc4)nn3C)[nH]c2n(CCC)c1=O | 10.1021/jm0309654 | ||
| CHEMBL286420 | 99927 | 0 | None | 23 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 466 | 9 | 2 | 10 | 1.5 | CCCn1c(=O)c2nc(-c3cc(OCC(=O)Nc4ccncc4)nn3C)[nH]c2n(CCC)c1=O | 10.1021/jm0309654 | ||
| 66894243 | 158563 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 493 | 8 | 1 | 8 | 2.8 | CCCn1c(=O)c2[nH]c(-c3cnn(CC4CC(=O)N(c5cccc(F)c5)C4)c3)nc2n(CCC)c1=O | 10.1016/j.ejmech.2016.11.007 | ||
| CHEMBL4092017 | 158563 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 493 | 8 | 1 | 8 | 2.8 | CCCn1c(=O)c2[nH]c(-c3cnn(CC4CC(=O)N(c5cccc(F)c5)C4)c3)nc2n(CCC)c1=O | 10.1016/j.ejmech.2016.11.007 | ||
| 46880373 | 5905 | 0 | None | -3 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 253 | 3 | 1 | 4 | 2.6 | N#Cc1ccc(NC(=O)C2CC2)nc1-c1ccco1 | 10.1016/j.bmcl.2010.01.045 | ||
| CHEMBL1079801 | 5905 | 0 | None | -3 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 253 | 3 | 1 | 4 | 2.6 | N#Cc1ccc(NC(=O)C2CC2)nc1-c1ccco1 | 10.1016/j.bmcl.2010.01.045 | ||
| 11656109 | 78351 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 490 | 8 | 1 | 8 | 3.6 | CCCn1c(=O)c2nc(-c3cnn(Cc4ccc(OC)c(C(F)(F)F)c4)c3)[nH]c2n(CCC)c1=O | 10.1021/jm051268+ | ||
| CHEMBL211038 | 78351 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 490 | 8 | 1 | 8 | 3.6 | CCCn1c(=O)c2nc(-c3cnn(Cc4ccc(OC)c(C(F)(F)F)c4)c3)[nH]c2n(CCC)c1=O | 10.1021/jm051268+ | ||
| 9893136 | 98731 | 0 | None | -19498 | 6 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 527 | 5 | 4 | 8 | 2.0 | OC[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(I)c4)nc(Cl)nc31)[C@H](O)[C@@H]2O | 10.1021/jm9905965 | ||
| CHEMBL27809 | 98731 | 0 | None | -19498 | 6 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 527 | 5 | 4 | 8 | 2.0 | OC[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(I)c4)nc(Cl)nc31)[C@H](O)[C@@H]2O | 10.1021/jm9905965 | ||
| 99562 | 99273 | 61 | None | 1 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 218 | 1 | 0 | 6 | -0.9 | C#CCn1c(=O)c2c(ncn2C)n(C)c1=O | 10.1021/jm0104318 | ||
| CHEMBL282038 | 99273 | 61 | None | 1 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 218 | 1 | 0 | 6 | -0.9 | C#CCn1c(=O)c2c(ncn2C)n(C)c1=O | 10.1021/jm0104318 | ||
| 99562 | 99273 | 61 | None | 1 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 218 | 1 | 0 | 6 | -0.9 | C#CCn1c(=O)c2c(ncn2C)n(C)c1=O | 10.1016/j.bmc.2013.09.044 | ||
| CHEMBL282038 | 99273 | 61 | None | 1 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 218 | 1 | 0 | 6 | -0.9 | C#CCn1c(=O)c2c(ncn2C)n(C)c1=O | 10.1016/j.bmc.2013.09.044 | ||
| 99562 | 99273 | 61 | None | 1 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 218 | 1 | 0 | 6 | -0.9 | C#CCn1c(=O)c2c(ncn2C)n(C)c1=O | 10.1016/j.bmc.2013.09.044 | ||
| CHEMBL282038 | 99273 | 61 | None | 1 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 218 | 1 | 0 | 6 | -0.9 | C#CCn1c(=O)c2c(ncn2C)n(C)c1=O | 10.1016/j.bmc.2013.09.044 | ||
| 1922 | 202795 | 44 | None | -26 | 6 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 256 | 1 | 1 | 5 | 0.6 | Cn1c(=O)c2nc(-c3ccccc3)[nH]c2n(C)c1=O | 10.1021/jm0104318 | ||
| CHEMBL62350 | 202795 | 44 | None | -26 | 6 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 256 | 1 | 1 | 5 | 0.6 | Cn1c(=O)c2nc(-c3ccccc3)[nH]c2n(C)c1=O | 10.1021/jm0104318 | ||
| 1922 | 202795 | 44 | None | -26 | 6 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 256 | 1 | 1 | 5 | 0.6 | Cn1c(=O)c2nc(-c3ccccc3)[nH]c2n(C)c1=O | 10.1021/jm0310030 | ||
| CHEMBL62350 | 202795 | 44 | None | -26 | 6 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 256 | 1 | 1 | 5 | 0.6 | Cn1c(=O)c2nc(-c3ccccc3)[nH]c2n(C)c1=O | 10.1021/jm0310030 | ||
| 47104774 | 103822 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 296 | 3 | 2 | 4 | 2.5 | CC1=C(C(=O)OC(C)C)C(c2ccsc2)NC(=S)N1 | 10.1021/ml400185v | ||
| CHEMBL3091705 | 103822 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 296 | 3 | 2 | 4 | 2.5 | CC1=C(C(=O)OC(C)C)C(c2ccsc2)NC(=S)N1 | 10.1021/ml400185v | ||
| 21958526 | 130682 | 0 | None | -6 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 520 | 9 | 1 | 9 | 4.7 | CCCn1c(=O)c2nc(-c3ccc(OCc4nc(-c5cccc(Cl)c5)no4)cc3)[nH]c2n(CCC)c1=O | 10.1016/j.bmcl.2004.11.044 | ||
| CHEMBL368442 | 130682 | 0 | None | -6 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 520 | 9 | 1 | 9 | 4.7 | CCCn1c(=O)c2nc(-c3ccc(OCc4nc(-c5cccc(Cl)c5)no4)cc3)[nH]c2n(CCC)c1=O | 10.1016/j.bmcl.2004.11.044 | ||
| 46880420 | 6309 | 0 | None | 7 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 322 | 4 | 1 | 5 | 3.6 | O=C(Nc1ccc(-c2ccncc2)c(-c2nccs2)n1)C1CC1 | 10.1016/j.bmcl.2010.01.045 | ||
| CHEMBL1082006 | 6309 | 0 | None | 7 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 322 | 4 | 1 | 5 | 3.6 | O=C(Nc1ccc(-c2ccncc2)c(-c2nccs2)n1)C1CC1 | 10.1016/j.bmcl.2010.01.045 | ||
| 90654601 | 110007 | 0 | None | -4 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 369 | 4 | 1 | 9 | 3.1 | N#Cc1c(N)nc(SCc2cscn2)nc1-c1ccc2c(c1)OCO2 | 10.1021/jm401643m | ||
| CHEMBL3234965 | 110007 | 0 | None | -4 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 369 | 4 | 1 | 9 | 3.1 | N#Cc1c(N)nc(SCc2cscn2)nc1-c1ccc2c(c1)OCO2 | 10.1021/jm401643m | ||
| 44406617 | 72607 | 0 | None | 22 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 528 | 8 | 1 | 10 | 3.7 | CCCn1c(=O)c2nc(-c3cnn(Cc4nc(-c5cccc(C(F)(F)F)c5)no4)c3)[nH]c2n(CCC)c1=O | 10.1016/j.bmcl.2005.10.002 | ||
| CHEMBL199471 | 72607 | 0 | None | 22 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 528 | 8 | 1 | 10 | 3.7 | CCCn1c(=O)c2nc(-c3cnn(Cc4nc(-c5cccc(C(F)(F)F)c5)no4)c3)[nH]c2n(CCC)c1=O | 10.1016/j.bmcl.2005.10.002 | ||
| 11420226 | 96321 | 0 | None | 4 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 479 | 7 | 1 | 9 | 3.5 | CCCn1c(=O)c2[nH]c(-c3cnn(Cc4cc(-c5ccc(Cl)cc5)on4)c3)nc2n(CC)c1=O | 10.1021/jm7014815 | ||
| CHEMBL261554 | 96321 | 0 | None | 4 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 479 | 7 | 1 | 9 | 3.5 | CCCn1c(=O)c2[nH]c(-c3cnn(Cc4cc(-c5ccc(Cl)cc5)on4)c3)nc2n(CC)c1=O | 10.1021/jm7014815 | ||
| 24828056 | 156484 | 0 | None | 9 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 288 | 3 | 2 | 6 | 0.5 | CC(C)Cn1c(=O)c2[nH]c(-c3cn[nH]c3)nc2n(C)c1=O | 10.1021/jm7014815 | ||
| CHEMBL406775 | 156484 | 0 | None | 9 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 288 | 3 | 2 | 6 | 0.5 | CC(C)Cn1c(=O)c2[nH]c(-c3cn[nH]c3)nc2n(C)c1=O | 10.1021/jm7014815 | ||
| 9970296 | 120443 | 0 | None | -1 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 269 | 3 | 2 | 3 | 2.1 | CCCn1c(=O)[nH]c2cc(-c3ccccc3)[nH]c2c1=O | 10.1021/jm011049y | ||
| CHEMBL35415 | 120443 | 0 | None | -1 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 269 | 3 | 2 | 3 | 2.1 | CCCn1c(=O)[nH]c2cc(-c3ccccc3)[nH]c2c1=O | 10.1021/jm011049y | ||
| 155555919 | 174400 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 377 | 3 | 1 | 6 | 4.0 | CC1=C(C(=O)OCC(F)(F)F)C(c2ccoc2)n2c(nc3ccccc32)N1 | 10.1021/acs.jmedchem.9b01340 | ||
| CHEMBL4552910 | 174400 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 377 | 3 | 1 | 6 | 4.0 | CC1=C(C(=O)OCC(F)(F)F)C(c2ccoc2)n2c(nc3ccccc32)N1 | 10.1021/acs.jmedchem.9b01340 | ||
| 11278089 | 84680 | 5 | None | -1 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 303 | 4 | 1 | 3 | 4.2 | CCC(=O)Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1 | 10.1021/jm100843z | ||
| CHEMBL222718 | 84680 | 5 | None | -1 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 303 | 4 | 1 | 3 | 4.2 | CCC(=O)Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1 | 10.1021/jm100843z | ||
| 11568517 | 74467 | 0 | None | 20 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 446 | 7 | 1 | 6 | 2.7 | CCN(Cc1ccccc1)C(=O)COc1ccc(-c2cc3c([nH]2)c(=O)n(C)c(=O)n3C)cc1 | 10.1021/jm0506221 | ||
| CHEMBL202876 | 74467 | 0 | None | 20 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 446 | 7 | 1 | 6 | 2.7 | CCN(Cc1ccccc1)C(=O)COc1ccc(-c2cc3c([nH]2)c(=O)n(C)c(=O)n3C)cc1 | 10.1021/jm0506221 | ||
| 44574281 | 178512 | 0 | None | 1 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 547 | 8 | 1 | 7 | 4.6 | CCCn1c(=O)c2[nH]c(-c3ccc(COC(=O)N4CCN(c5ccc(F)cc5)CC4)cc3)cc2n(CCC)c1=O | 10.1016/j.bmc.2009.03.062 | ||
| CHEMBL466828 | 178512 | 0 | None | 1 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 547 | 8 | 1 | 7 | 4.6 | CCCn1c(=O)c2[nH]c(-c3ccc(COC(=O)N4CCN(c5ccc(F)cc5)CC4)cc3)cc2n(CCC)c1=O | 10.1016/j.bmc.2009.03.062 | ||
| 14969715 | 203771 | 2 | None | -91 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 208 | 3 | 2 | 4 | 0.2 | CCCCn1c(=O)[nH]c2[nH]cnc2c1=O | 10.1021/jm0104318 | ||
| CHEMBL68278 | 203771 | 2 | None | -91 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 208 | 3 | 2 | 4 | 0.2 | CCCCn1c(=O)[nH]c2[nH]cnc2c1=O | 10.1021/jm0104318 | ||
| 9858577 | 178648 | 0 | None | -13 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 327 | 3 | 1 | 8 | 2.1 | Nc1nc(-c2cncs2)c2nnn(Cc3ccccc3F)c2n1 | 10.1021/jm800961g | ||
| CHEMBL467867 | 178648 | 0 | None | -13 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 327 | 3 | 1 | 8 | 2.1 | Nc1nc(-c2cncs2)c2nnn(Cc3ccccc3F)c2n1 | 10.1021/jm800961g | ||
| 76331767 | 103820 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 264 | 3 | 1 | 4 | 1.8 | CCOC(=O)C1=C(C)N(C)C(=O)NC1c1ccoc1 | 10.1021/acs.jmedchem.0c01431 | ||
| CHEMBL3091702 | 103820 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 264 | 3 | 1 | 4 | 1.8 | CCOC(=O)C1=C(C)N(C)C(=O)NC1c1ccoc1 | 10.1021/acs.jmedchem.0c01431 | ||
| 76331767 | 103820 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 264 | 3 | 1 | 4 | 1.8 | CCOC(=O)C1=C(C)N(C)C(=O)NC1c1ccoc1 | 10.1021/ml400185v | ||
| CHEMBL3091702 | 103820 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 264 | 3 | 1 | 4 | 1.8 | CCOC(=O)C1=C(C)N(C)C(=O)NC1c1ccoc1 | 10.1021/ml400185v | ||
| 162672711 | 183205 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 276 | 4 | 2 | 4 | 1.9 | CC1=C(C(=O)OCC2CC2)C(c2ccoc2)NC(=O)N1 | 10.1021/acs.jmedchem.0c01431 | ||
| CHEMBL4796169 | 183205 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 276 | 4 | 2 | 4 | 1.9 | CC1=C(C(=O)OCC2CC2)C(c2ccoc2)NC(=O)N1 | 10.1021/acs.jmedchem.0c01431 | ||
| 44452514 | 95791 | 0 | None | -5 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 323 | 6 | 1 | 7 | 3.0 | COCCCNc1nc2ccccc2n2nc(-c3ccco3)nc12 | 10.1016/j.bmc.2007.10.103 | ||
| CHEMBL258848 | 95791 | 0 | None | -5 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 323 | 6 | 1 | 7 | 3.0 | COCCCNc1nc2ccccc2n2nc(-c3ccco3)nc12 | 10.1016/j.bmc.2007.10.103 | ||
| 10834513 | 38768 | 0 | None | -12 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 395 | 4 | 1 | 8 | 3.7 | Nc1nc2nn(CCc3cccc4ccccc34)cc2c2nc(-c3ccco3)nn12 | 10.1021/jm001047y | ||
| CHEMBL146658 | 38768 | 0 | None | -12 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 395 | 4 | 1 | 8 | 3.7 | Nc1nc2nn(CCc3cccc4ccccc34)cc2c2nc(-c3ccco3)nn12 | 10.1021/jm001047y | ||
| 11420910 | 96910 | 0 | None | -9 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 513 | 9 | 1 | 10 | 3.0 | CCCn1c(=O)c2nc(-c3ccc(S(=O)(=O)Oc4cccc([N+](=O)[O-])c4)cc3)[nH]c2n(CCC)c1=O | 10.1021/jm0310030 | ||
| CHEMBL266099 | 96910 | 0 | None | -9 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 513 | 9 | 1 | 10 | 3.0 | CCCn1c(=O)c2nc(-c3ccc(S(=O)(=O)Oc4cccc([N+](=O)[O-])c4)cc3)[nH]c2n(CCC)c1=O | 10.1021/jm0310030 | ||
| 66894271 | 157436 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 493 | 8 | 1 | 8 | 2.8 | CCCn1c(=O)c2[nH]c(-c3cnn(CC4CCN(c5cccc(F)c5)C4=O)c3)nc2n(CCC)c1=O | 10.1016/j.ejmech.2016.11.007 | ||
| CHEMBL4079189 | 157436 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 493 | 8 | 1 | 8 | 2.8 | CCCn1c(=O)c2[nH]c(-c3cnn(CC4CCN(c5cccc(F)c5)C4=O)c3)nc2n(CCC)c1=O | 10.1016/j.ejmech.2016.11.007 | ||
| 53325341 | 57993 | 0 | None | 14 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 307 | 4 | 1 | 6 | 2.5 | O=C(Nc1cnc(-c2ccncc2)c(-c2cnco2)n1)C1CC1 | 10.1021/ml100249e | ||
| CHEMBL1672625 | 57993 | 0 | None | 14 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 307 | 4 | 1 | 6 | 2.5 | O=C(Nc1cnc(-c2ccncc2)c(-c2cnco2)n1)C1CC1 | 10.1021/ml100249e | ||
| 21874661 | 190449 | 0 | None | -60 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 325 | 3 | 2 | 8 | 1.8 | Nc1nc(-c2ccco2)c2nnn(Cc3ccc(N)c(F)c3)c2n1 | 10.1021/jm800961g | ||
| CHEMBL517886 | 190449 | 0 | None | -60 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 325 | 3 | 2 | 8 | 1.8 | Nc1nc(-c2ccco2)c2nnn(Cc3ccc(N)c(F)c3)c2n1 | 10.1021/jm800961g | ||
| 76324530 | 103818 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 266 | 3 | 2 | 4 | 1.6 | CCOC(=O)C1=C(C)NC(=S)NC1c1ccoc1 | 10.1021/acs.jmedchem.0c01431 | ||
| CHEMBL3091700 | 103818 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 266 | 3 | 2 | 4 | 1.6 | CCOC(=O)C1=C(C)NC(=S)NC1c1ccoc1 | 10.1021/acs.jmedchem.0c01431 | ||
| 76324530 | 103818 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 266 | 3 | 2 | 4 | 1.6 | CCOC(=O)C1=C(C)NC(=S)NC1c1ccoc1 | 10.1021/ml400185v | ||
| CHEMBL3091700 | 103818 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 266 | 3 | 2 | 4 | 1.6 | CCOC(=O)C1=C(C)NC(=S)NC1c1ccoc1 | 10.1021/ml400185v | ||
| 44451790 | 95959 | 0 | None | -24 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 316 | 2 | 1 | 6 | 3.0 | N#Cc1c(-c2ccccc2)nc(N)nc1-c1ccc2c(c1)OCO2 | 10.1021/acs.jmedchem.1c01636 | ||
| CHEMBL259607 | 95959 | 0 | None | -24 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 316 | 2 | 1 | 6 | 3.0 | N#Cc1c(-c2ccccc2)nc(N)nc1-c1ccc2c(c1)OCO2 | 10.1021/acs.jmedchem.1c01636 | ||
| 156019165 | 177972 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 338 | 3 | 1 | 7 | 3.3 | CC1=C(C(=O)OC(C)C)C(c2cocn2)n2c(nc3ccccc32)N1 | 10.1021/acs.jmedchem.0c00564 | ||
| CHEMBL4646279 | 177972 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 338 | 3 | 1 | 7 | 3.3 | CC1=C(C(=O)OC(C)C)C(c2cocn2)n2c(nc3ccccc32)N1 | 10.1021/acs.jmedchem.0c00564 | ||
| CHEMBL5082650 | 214792 | 0 | None | -10 | 7 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | None | None | None | Nc1nc(-c2ccccc2)c2c(n1)-c1cc(OCCCN3CCCCC3)ccc1C2=O | 10.1021/acs.jmedchem.0c00914 | ||||
| 11595592 | 72281 | 0 | None | 93 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 357 | 6 | 2 | 6 | 1.6 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)O)cc3)cc2n(C)c1=O | 10.1021/jm0506221 | ||
| CHEMBL198345 | 72281 | 0 | None | 93 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 357 | 6 | 2 | 6 | 1.6 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)O)cc3)cc2n(C)c1=O | 10.1021/jm0506221 | ||
| 11611016 | 72666 | 0 | None | 22 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 399 | 8 | 2 | 6 | 2.8 | CCCn1c(=O)c2[nH]c(-c3ccc(OC(C)C(=O)O)cc3)cc2n(CCC)c1=O | 10.1021/jm0506221 | ||
| CHEMBL199697 | 72666 | 0 | None | 22 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 399 | 8 | 2 | 6 | 2.8 | CCCn1c(=O)c2[nH]c(-c3ccc(OC(C)C(=O)O)cc3)cc2n(CCC)c1=O | 10.1021/jm0506221 | ||
| 44451224 | 159364 | 0 | None | 6 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 474 | 5 | 1 | 7 | 2.2 | COc1cc(OCC(=O)N2CCc3ccccc3C2)ccc1-c1cc2c([nH]1)c(=O)n(C)c(=O)n2C | 10.1016/j.bmc.2008.01.002 | ||
| CHEMBL410066 | 159364 | 0 | None | 6 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 474 | 5 | 1 | 7 | 2.2 | COc1cc(OCC(=O)N2CCc3ccccc3C2)ccc1-c1cc2c([nH]1)c(=O)n(C)c(=O)n2C | 10.1016/j.bmc.2008.01.002 | ||
| 11143352 | 200126 | 0 | None | -1 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 378 | 6 | 0 | 7 | 2.5 | CCCn1c(=O)c2c(nc(Cc3ccccc3)n2C)n(Cc2ccco2)c1=O | 10.1016/j.bmc.2009.07.034 | ||
| CHEMBL596346 | 200126 | 0 | None | -1 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 378 | 6 | 0 | 7 | 2.5 | CCCn1c(=O)c2c(nc(Cc3ccccc3)n2C)n(Cc2ccco2)c1=O | 10.1016/j.bmc.2009.07.034 | ||
| 9950776 | 83168 | 0 | None | -707 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 360 | 5 | 2 | 6 | 2.0 | CCCn1c(=O)c2nc(C34CCC(O)(CC3)CC4)[nH]c2n(CCC)c1=O | 10.1021/jm060539t | ||
| CHEMBL218458 | 83168 | 0 | None | -707 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 360 | 5 | 2 | 6 | 2.0 | CCCn1c(=O)c2nc(C34CCC(O)(CC3)CC4)[nH]c2n(CCC)c1=O | 10.1021/jm060539t | ||
| 21958522 | 64665 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 500 | 9 | 1 | 9 | 4.3 | CCCn1c(=O)c2nc(-c3ccc(OCc4noc(-c5ccccc5C)n4)cc3)[nH]c2n(CCC)c1=O | 10.1016/j.bmcl.2004.11.044 | ||
| CHEMBL181873 | 64665 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 500 | 9 | 1 | 9 | 4.3 | CCCn1c(=O)c2nc(-c3ccc(OCc4noc(-c5ccccc5C)n4)cc3)[nH]c2n(CCC)c1=O | 10.1016/j.bmcl.2004.11.044 | ||
| 44588439 | 175531 | 0 | None | 1 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 327 | 5 | 2 | 5 | 2.7 | CCCn1c(=O)c2[nH]c(-c3ccc(O)cc3)cc2n(CCC)c1=O | 10.1016/j.bmc.2008.09.067 | ||
| CHEMBL457881 | 175531 | 0 | None | 1 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 327 | 5 | 2 | 5 | 2.7 | CCCn1c(=O)c2[nH]c(-c3ccc(O)cc3)cc2n(CCC)c1=O | 10.1016/j.bmc.2008.09.067 | ||
| 11611580 | 78206 | 0 | None | 8 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 424 | 7 | 1 | 7 | 3.1 | CCCn1c(=O)c2nc(-c3cnn(Cc4cccc(C)c4F)c3)[nH]c2n(CCC)c1=O | 10.1021/jm051268+ | ||
| CHEMBL210609 | 78206 | 0 | None | 8 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 424 | 7 | 1 | 7 | 3.1 | CCCn1c(=O)c2nc(-c3cnn(Cc4cccc(C)c4F)c3)[nH]c2n(CCC)c1=O | 10.1021/jm051268+ | ||
| 2690 | 900 | 66 | None | -30 | 9 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 285 | 1 | 1 | 6 | 2.8 | Clc1ccc2c(c1)c1nc(nn1c(n2)N)c1ccco1 | 10.1021/jm4011669 | ||
| 384 | 900 | 66 | None | -30 | 9 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 285 | 1 | 1 | 6 | 2.8 | Clc1ccc2c(c1)c1nc(nn1c(n2)N)c1ccco1 | 10.1021/jm4011669 | ||
| CHEMBL16687 | 900 | 66 | None | -30 | 9 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 285 | 1 | 1 | 6 | 2.8 | Clc1ccc2c(c1)c1nc(nn1c(n2)N)c1ccco1 | 10.1021/jm4011669 | ||
| 11663050 | 141065 | 0 | None | 1 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 482 | 5 | 2 | 6 | 3.0 | Cn1c(=O)c2[nH]c(-c3cccc(OCC(=O)Nc4ccc(Br)cc4)c3)cc2n(C)c1=O | 10.1021/jm0506221 | ||
| CHEMBL382663 | 141065 | 0 | None | 1 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 482 | 5 | 2 | 6 | 3.0 | Cn1c(=O)c2[nH]c(-c3cccc(OCC(=O)Nc4ccc(Br)cc4)c3)cc2n(C)c1=O | 10.1021/jm0506221 | ||
| 24950846 | 170488 | 0 | None | -28 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 265 | 2 | 1 | 5 | 3.4 | Cc1ccc(-c2cc(-c3ccco3)nc(N)c2C#N)o1 | 10.1021/jm701594y | ||
| CHEMBL444953 | 170488 | 0 | None | -28 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 265 | 2 | 1 | 5 | 3.4 | Cc1ccc(-c2cc(-c3ccco3)nc(N)c2C#N)o1 | 10.1021/jm701594y | ||
| 21874692 | 188781 | 0 | None | -15 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 337 | 4 | 1 | 9 | 2.0 | Nc1nc(-c2ccco2)c2nnn(Cc3ccc([N+](=O)[O-])cc3)c2n1 | 10.1021/jm800961g | ||
| CHEMBL505977 | 188781 | 0 | None | -15 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 337 | 4 | 1 | 9 | 2.0 | Nc1nc(-c2ccco2)c2nnn(Cc3ccc([N+](=O)[O-])cc3)c2n1 | 10.1021/jm800961g | ||
| 142609112 | 182116 | 0 | None | -131 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 309 | 4 | 2 | 6 | 2.0 | Cc1cccnc1CNC(=O)c1cnc(-c2ccco2)nc1N | 10.1021/acs.jmedchem.0c00237 | ||
| CHEMBL4782266 | 182116 | 0 | None | -131 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 309 | 4 | 2 | 6 | 2.0 | Cc1cccnc1CNC(=O)c1cnc(-c2ccco2)nc1N | 10.1021/acs.jmedchem.0c00237 | ||
| 21874764 | 189187 | 0 | None | -3 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 349 | 4 | 2 | 8 | 2.1 | CC(=O)Nc1ccc(Cn2nnc3c(-c4ccco4)nc(N)nc32)cc1 | 10.1021/jm800961g | ||
| CHEMBL511413 | 189187 | 0 | None | -3 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 349 | 4 | 2 | 8 | 2.1 | CC(=O)Nc1ccc(Cn2nnc3c(-c4ccco4)nc(N)nc32)cc1 | 10.1021/jm800961g | ||
| 11808022 | 183539 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 278 | 2 | 2 | 4 | 2.2 | CC1=C(C(=O)OC(C)(C)C)C(c2ccoc2)NC(=O)N1 | 10.1021/acs.jmedchem.0c01431 | ||
| CHEMBL4800327 | 183539 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 278 | 2 | 2 | 4 | 2.2 | CC1=C(C(=O)OC(C)(C)C)C(c2ccoc2)NC(=O)N1 | 10.1021/acs.jmedchem.0c01431 | ||
| 11289861 | 195268 | 0 | None | -63 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 310 | 4 | 3 | 7 | 1.2 | Nc1cccc(CNC(=O)c2cc(-c3ccco3)nc(N)n2)n1 | 10.1016/j.bmcl.2009.03.142 | ||
| CHEMBL551373 | 195268 | 0 | None | -63 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 310 | 4 | 3 | 7 | 1.2 | Nc1cccc(CNC(=O)c2cc(-c3ccco3)nc(N)n2)n1 | 10.1016/j.bmcl.2009.03.142 | ||
| 4314924 | 177793 | 4 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 322 | 3 | 2 | 5 | 3.2 | CCOC(=O)C1=C(C)Nc2nc3ccccc3n2C1c1cc[nH]c1 | 10.1021/acs.jmedchem.0c00564 | ||
| CHEMBL4643705 | 177793 | 4 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 322 | 3 | 2 | 5 | 3.2 | CCOC(=O)C1=C(C)Nc2nc3ccccc3n2C1c1cc[nH]c1 | 10.1021/acs.jmedchem.0c00564 | ||
| 11091600 | 83291 | 0 | None | -2 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 449 | 6 | 1 | 10 | 3.2 | COc1ccc(CC(=O)Nc2nc3nn(C)c(SC)c3c3nc(-c4ccco4)nn23)cc1 | 10.1021/jm021023m | ||
| CHEMBL21910 | 83291 | 0 | None | -2 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 449 | 6 | 1 | 10 | 3.2 | COc1ccc(CC(=O)Nc2nc3nn(C)c(SC)c3c3nc(-c4ccco4)nn23)cc1 | 10.1021/jm021023m | ||
| 24827552 | 96200 | 0 | None | 6 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 379 | 5 | 1 | 8 | 1.9 | CCCn1c(=O)c2[nH]c(-c3cnn(-c4ccc(C)nc4)c3)nc2n(CC)c1=O | 10.1021/jm7014815 | ||
| CHEMBL260878 | 96200 | 0 | None | 6 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 379 | 5 | 1 | 8 | 1.9 | CCCn1c(=O)c2[nH]c(-c3cnn(-c4ccc(C)nc4)c3)nc2n(CC)c1=O | 10.1021/jm7014815 | ||
| CHEMBL5088876 | 215161 | 0 | None | -25 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | None | None | None | COc1cc(OC)cc(-c2nc(N)nc(-c3ccccc3)c2C#N)c1 | 10.1021/acs.jmedchem.1c01636 | ||||
| 11508721 | 72237 | 0 | None | 16 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 357 | 6 | 2 | 6 | 1.6 | CCCn1c(=O)n(C)c(=O)c2[nH]c(-c3ccc(OCC(=O)O)cc3)cc21 | 10.1021/jm0506221 | ||
| CHEMBL198243 | 72237 | 0 | None | 16 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 357 | 6 | 2 | 6 | 1.6 | CCCn1c(=O)n(C)c(=O)c2[nH]c(-c3ccc(OCC(=O)O)cc3)cc21 | 10.1021/jm0506221 | ||
| 9890003 | 119385 | 0 | None | -5 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 450 | 3 | 2 | 8 | 4.8 | CC(C)(C)n1cc2c(nc(NC(=O)Nc3cccc(Cl)c3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm001047y | ||
| CHEMBL344724 | 119385 | 0 | None | -5 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 450 | 3 | 2 | 8 | 4.8 | CC(C)(C)n1cc2c(nc(NC(=O)Nc3cccc(Cl)c3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm001047y | ||
| 145981689 | 166558 | 0 | None | -3 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 579 | 14 | 1 | 10 | 2.6 | CCCn1c(=O)c2c(nc3n2CCCN3CCc2ccc(OCC(=O)NCCCN3CCCC3)cc2)n(CCC)c1=O | 10.1039/C8MD00070K | ||
| CHEMBL4280069 | 166558 | 0 | None | -3 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 579 | 14 | 1 | 10 | 2.6 | CCCn1c(=O)c2c(nc3n2CCCN3CCc2ccc(OCC(=O)NCCCN3CCCC3)cc2)n(CCC)c1=O | 10.1039/C8MD00070K | ||
| 44390551 | 168315 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 511 | 9 | 1 | 10 | 3.9 | CCCn1c(=O)c2nc(-c3ccc(OCc4nc(-c5ccc(C#N)cc5)no4)cc3)[nH]c2n(CCC)c1=O | 10.1016/j.bmcl.2004.11.044 | ||
| CHEMBL434334 | 168315 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 511 | 9 | 1 | 10 | 3.9 | CCCn1c(=O)c2nc(-c3ccc(OCc4nc(-c5ccc(C#N)cc5)no4)cc3)[nH]c2n(CCC)c1=O | 10.1016/j.bmcl.2004.11.044 | ||
| 2882256 | 31878 | 12 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 342 | 4 | 1 | 4 | 3.5 | CC1=C(C(=O)OCc2ccccc2)C(c2ccsc2)NC(=O)N1C | 10.1021/acs.jmedchem.0c01431 | ||
| CHEMBL1407320 | 31878 | 12 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 342 | 4 | 1 | 4 | 3.5 | CC1=C(C(=O)OCc2ccccc2)C(c2ccsc2)NC(=O)N1C | 10.1021/acs.jmedchem.0c01431 | ||
| 12267228 | 176912 | 0 | None | -3 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 269 | 1 | 1 | 4 | 1.5 | Cc1ccc(-c2cc3c([nH]2)c(=O)n(C)c(=O)n3C)cc1 | 10.1016/j.bmc.2008.09.067 | ||
| CHEMBL462095 | 176912 | 0 | None | -3 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 269 | 1 | 1 | 4 | 1.5 | Cc1ccc(-c2cc3c([nH]2)c(=O)n(C)c(=O)n3C)cc1 | 10.1016/j.bmc.2008.09.067 | ||
| 10938608 | 120085 | 0 | None | -3 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 416 | 5 | 2 | 8 | 4.1 | CCCn1cc2c(nc(NC(=O)Nc3ccc(C)cc3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm0109614 | ||
| CHEMBL351075 | 120085 | 0 | None | -3 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 416 | 5 | 2 | 8 | 4.1 | CCCn1cc2c(nc(NC(=O)Nc3ccc(C)cc3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm0109614 | ||
| 24827443 | 96314 | 0 | None | 8 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 365 | 5 | 1 | 8 | 1.6 | CCCn1c(=O)c2[nH]c(-c3cnn(-c4ccccn4)c3)nc2n(CC)c1=O | 10.1021/jm7014815 | ||
| CHEMBL261525 | 96314 | 0 | None | 8 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 365 | 5 | 1 | 8 | 1.6 | CCCn1c(=O)c2[nH]c(-c3cnn(-c4ccccn4)c3)nc2n(CC)c1=O | 10.1021/jm7014815 | ||
| 21874686 | 176795 | 0 | None | -30 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 307 | 3 | 2 | 8 | 1.7 | Nc1ccc(Cn2nnc3c(-c4ccco4)nc(N)nc32)cc1 | 10.1021/jm800961g | ||
| CHEMBL460975 | 176795 | 0 | None | -30 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 307 | 3 | 2 | 8 | 1.7 | Nc1ccc(Cn2nnc3c(-c4ccco4)nc(N)nc32)cc1 | 10.1021/jm800961g | ||
| 136044105 | 120025 | 0 | None | -1 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 358 | 6 | 2 | 7 | 2.1 | CCCn1c(=O)c2[nH]c(-c3ccc(OC)cc3O)nc2n(CCC)c1=O | 10.1021/jm0104318 | ||
| CHEMBL350469 | 120025 | 0 | None | -1 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 358 | 6 | 2 | 7 | 2.1 | CCCn1c(=O)c2[nH]c(-c3ccc(OC)cc3O)nc2n(CCC)c1=O | 10.1021/jm0104318 | ||
| 46228004 | 200034 | 0 | None | 2 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 426 | 6 | 0 | 7 | 2.8 | Cn1c(Cc2c(F)cccc2F)nc2c1c(=O)n(CC1CC1)c(=O)n2Cc1ccco1 | 10.1016/j.bmc.2009.07.034 | ||
| CHEMBL595657 | 200034 | 0 | None | 2 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 426 | 6 | 0 | 7 | 2.8 | Cn1c(Cc2c(F)cccc2F)nc2c1c(=O)n(CC1CC1)c(=O)n2Cc1ccco1 | 10.1016/j.bmc.2009.07.034 | ||
| 11739282 | 196635 | 0 | None | -269 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 339 | 6 | 2 | 7 | 1.8 | COCc1cccc(CNC(=O)c2cc(-c3ccco3)nc(N)n2)n1 | 10.1016/j.bmcl.2009.03.142 | ||
| CHEMBL564473 | 196635 | 0 | None | -269 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 339 | 6 | 2 | 7 | 1.8 | COCc1cccc(CNC(=O)c2cc(-c3ccco3)nc(N)n2)n1 | 10.1016/j.bmcl.2009.03.142 | ||
| 11739282 | 196635 | 0 | None | -269 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 339 | 6 | 2 | 7 | 1.8 | COCc1cccc(CNC(=O)c2cc(-c3ccco3)nc(N)n2)n1 | 10.1021/jm4011669 | ||
| CHEMBL564473 | 196635 | 0 | None | -269 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 339 | 6 | 2 | 7 | 1.8 | COCc1cccc(CNC(=O)c2cc(-c3ccco3)nc(N)n2)n1 | 10.1021/jm4011669 | ||
| 14969716 | 203568 | 2 | None | 32 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 192 | 2 | 2 | 4 | -0.4 | C=CCn1c(=O)[nH]c2[nH]cnc2c1=O | 10.1021/jm0104318 | ||
| CHEMBL66899 | 203568 | 2 | None | 32 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 192 | 2 | 2 | 4 | -0.4 | C=CCn1c(=O)[nH]c2[nH]cnc2c1=O | 10.1021/jm0104318 | ||
| 137650340 | 157496 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 290 | 3 | 2 | 5 | 1.7 | CCOC(=O)C1=C(C)N/C(=N\C#N)NC1c1ccsc1 | 10.1021/acs.jmedchem.7b00138 | ||
| CHEMBL4079899 | 157496 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 290 | 3 | 2 | 5 | 1.7 | CCOC(=O)C1=C(C)N/C(=N\C#N)NC1c1ccsc1 | 10.1021/acs.jmedchem.7b00138 | ||
| 49870828 | 18760 | 0 | None | -54 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 373 | 3 | 0 | 7 | 3.5 | Cc1nn(Cc2ccccc2)c(=O)c2ncn3nc(-c4ccsc4)cc3c12 | 10.1016/j.bmc.2010.09.043 | ||
| CHEMBL1278102 | 18760 | 0 | None | -54 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 373 | 3 | 0 | 7 | 3.5 | Cc1nn(Cc2ccccc2)c(=O)c2ncn3nc(-c4ccsc4)cc3c12 | 10.1016/j.bmc.2010.09.043 | ||
| 135465785 | 487 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 496 | 8 | 2 | 12 | 0.0 | CCCn1c2=N/C(=c/3\o[nH]c(c3)OCC(=O)Nc3ccc4c(c3)OCO4)/N=c2c(=O)n(c1=O)CCC | 10.1021/jm0309654 | ||
| 439 | 487 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 496 | 8 | 2 | 12 | 0.0 | CCCn1c2=N/C(=c/3\o[nH]c(c3)OCC(=O)Nc3ccc4c(c3)OCO4)/N=c2c(=O)n(c1=O)CCC | 10.1021/jm0309654 | ||
| CHEMBL32582 | 487 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 496 | 8 | 2 | 12 | 0.0 | CCCn1c2=N/C(=c/3\o[nH]c(c3)OCC(=O)Nc3ccc4c(c3)OCO4)/N=c2c(=O)n(c1=O)CCC | 10.1021/jm0309654 | ||
| 135465785 | 487 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 496 | 8 | 2 | 12 | 0.0 | CCCn1c2=N/C(=c/3\o[nH]c(c3)OCC(=O)Nc3ccc4c(c3)OCO4)/N=c2c(=O)n(c1=O)CCC | 10.1021/jm0309654 | ||
| 439 | 487 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 496 | 8 | 2 | 12 | 0.0 | CCCn1c2=N/C(=c/3\o[nH]c(c3)OCC(=O)Nc3ccc4c(c3)OCO4)/N=c2c(=O)n(c1=O)CCC | 10.1021/jm0309654 | ||
| CHEMBL32582 | 487 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 496 | 8 | 2 | 12 | 0.0 | CCCn1c2=N/C(=c/3\o[nH]c(c3)OCC(=O)Nc3ccc4c(c3)OCO4)/N=c2c(=O)n(c1=O)CCC | 10.1021/jm0309654 | ||
| 46880508 | 6123 | 0 | None | 18 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 316 | 4 | 1 | 4 | 3.6 | O=C(Nc1ccc(-c2ccncc2)c(-c2ccccn2)n1)C1CC1 | 10.1016/j.bmcl.2010.01.045 | ||
| CHEMBL1081039 | 6123 | 0 | None | 18 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 316 | 4 | 1 | 4 | 3.6 | O=C(Nc1ccc(-c2ccncc2)c(-c2ccccn2)n1)C1CC1 | 10.1016/j.bmcl.2010.01.045 | ||
| 46880332 | 6197 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 280 | 3 | 1 | 5 | 2.8 | CC(=O)Nc1ccc(-c2ccncn2)c(-c2ccco2)n1 | 10.1016/j.bmcl.2010.01.045 | ||
| CHEMBL1081459 | 6197 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 280 | 3 | 1 | 5 | 2.8 | CC(=O)Nc1ccc(-c2ccncn2)c(-c2ccco2)n1 | 10.1016/j.bmcl.2010.01.045 | ||
| CHEMBL5082920 | 214809 | 0 | None | -7 | 5 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | None | None | None | Nc1nc(-c2ccccc2)c2c(n1)-c1cc(OCCCN3CCCC3)ccc1C2=O | 10.1021/acs.jmedchem.0c00914 | ||||
| CHEMBL5083244 | 214831 | 0 | None | -1 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | None | None | None | CNc1nc(-c2ccccc2)c(C#N)c(-c2ccccc2F)n1 | 10.1021/acs.jmedchem.1c01636 | ||||
| 1676 | 98956 | 61 | None | -3 | 10 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 194 | 2 | 2 | 4 | -0.2 | CCCn1c(=O)[nH]c(=O)c2[nH]cnc21 | 10.1016/j.ejmech.2016.11.007 | ||
| CHEMBL279898 | 98956 | 61 | None | -3 | 10 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 194 | 2 | 2 | 4 | -0.2 | CCCn1c(=O)[nH]c(=O)c2[nH]cnc21 | 10.1016/j.ejmech.2016.11.007 | ||
| 1676 | 98956 | 61 | None | -3 | 10 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 194 | 2 | 2 | 4 | -0.2 | CCCn1c(=O)[nH]c(=O)c2[nH]cnc21 | 10.1021/jm0104318 | ||
| CHEMBL279898 | 98956 | 61 | None | -3 | 10 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 194 | 2 | 2 | 4 | -0.2 | CCCn1c(=O)[nH]c(=O)c2[nH]cnc21 | 10.1021/jm0104318 | ||
| 1676 | 98956 | 61 | None | -3 | 10 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 194 | 2 | 2 | 4 | -0.2 | CCCn1c(=O)[nH]c(=O)c2[nH]cnc21 | 10.1021/acs.jmedchem.5b01586 | ||
| CHEMBL279898 | 98956 | 61 | None | -3 | 10 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 194 | 2 | 2 | 4 | -0.2 | CCCn1c(=O)[nH]c(=O)c2[nH]cnc21 | 10.1021/acs.jmedchem.5b01586 | ||
| 1676 | 98956 | 61 | None | -3 | 10 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 194 | 2 | 2 | 4 | -0.2 | CCCn1c(=O)[nH]c(=O)c2[nH]cnc21 | 10.1021/jm051268+ | ||
| CHEMBL279898 | 98956 | 61 | None | -3 | 10 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 194 | 2 | 2 | 4 | -0.2 | CCCn1c(=O)[nH]c(=O)c2[nH]cnc21 | 10.1021/jm051268+ | ||
| 65269 | 188203 | 36 | None | -21 | 4 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 265 | 2 | 4 | 8 | -1.3 | Nc1ncnc2c1ncn2[C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O | 10.1021/jm9905965 | ||
| CHEMBL49935 | 188203 | 36 | None | -21 | 4 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 265 | 2 | 4 | 8 | -1.3 | Nc1ncnc2c1ncn2[C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O | 10.1021/jm9905965 | ||
| CHEMBL5091545 | 215290 | 0 | None | -16 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | None | None | None | CNc1nc(-c2ccccc2)c(C#N)c(-c2ccc(C)cc2)n1 | 10.1021/acs.jmedchem.1c01636 | ||||
| 44451105 | 160609 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 537 | 6 | 1 | 8 | 2.6 | COc1cc(OCC(=O)N2CCN(c3ccc(Cl)cc3)CC2)ccc1-c1cc2c([nH]1)c(=O)n(C)c(=O)n2C | 10.1016/j.bmc.2008.01.002 | ||
| CHEMBL411314 | 160609 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 537 | 6 | 1 | 8 | 2.6 | COc1cc(OCC(=O)N2CCN(c3ccc(Cl)cc3)CC2)ccc1-c1cc2c([nH]1)c(=O)n(C)c(=O)n2C | 10.1016/j.bmc.2008.01.002 | ||
| 46233214 | 200254 | 0 | None | -3 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 344 | 6 | 1 | 6 | 2.3 | CCSCCn1c(=O)n(CC)c(=O)c2[nH]c(-c3ccccc3)nc21 | 10.1016/j.bmc.2010.01.028 | ||
| CHEMBL597169 | 200254 | 0 | None | -3 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 344 | 6 | 1 | 6 | 2.3 | CCSCCn1c(=O)n(CC)c(=O)c2[nH]c(-c3ccccc3)nc21 | 10.1016/j.bmc.2010.01.028 | ||
| 44588473 | 175220 | 0 | None | 1 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 357 | 6 | 1 | 7 | 2.7 | CCCn1c(=O)c2c(cc(-c3ccc(OC)cc3)n2O)n(CCC)c1=O | 10.1016/j.bmc.2008.09.067 | ||
| CHEMBL457209 | 175220 | 0 | None | 1 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 357 | 6 | 1 | 7 | 2.7 | CCCn1c(=O)c2c(cc(-c3ccc(OC)cc3)n2O)n(CCC)c1=O | 10.1016/j.bmc.2008.09.067 | ||
| 404 | 4067 | 33 | None | -154 | 11 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 428 | 10 | 3 | 8 | 0.8 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)NCCN | 10.1021/jm011049y | ||
| 432 | 4067 | 33 | None | -154 | 11 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 428 | 10 | 3 | 8 | 0.8 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)NCCN | 10.1021/jm011049y | ||
| 5697 | 4067 | 33 | None | -154 | 11 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 428 | 10 | 3 | 8 | 0.8 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)NCCN | 10.1021/jm011049y | ||
| CHEMBL273094 | 4067 | 33 | None | -154 | 11 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 428 | 10 | 3 | 8 | 0.8 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)NCCN | 10.1021/jm011049y | ||
| 57429621 | 159150 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 418 | 5 | 3 | 7 | 1.4 | CCCn1c(=O)[nH]c2nc(-c3cnn(CC#Cc4cccc(C(=O)O)c4)c3)[nH]c2c1=O | 10.1016/j.ejmech.2017.04.014 | ||
| CHEMBL4098369 | 159150 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 418 | 5 | 3 | 7 | 1.4 | CCCn1c(=O)[nH]c2nc(-c3cnn(CC#Cc4cccc(C(=O)O)c4)c3)[nH]c2c1=O | 10.1016/j.ejmech.2017.04.014 | ||
| 22266756 | 94566 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 464 | 6 | 2 | 9 | 2.4 | O=c1[nH]c2nc(-c3cnn(Cc4noc(-c5ccc(Cl)cc5)n4)c3)[nH]c2c(=O)n1CC1CC1 | 10.1016/j.bmcl.2008.01.008 | ||
| CHEMBL252074 | 94566 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 464 | 6 | 2 | 9 | 2.4 | O=c1[nH]c2nc(-c3cnn(Cc4noc(-c5ccc(Cl)cc5)n4)c3)[nH]c2c(=O)n1CC1CC1 | 10.1016/j.bmcl.2008.01.008 | ||
| 11112849 | 57274 | 0 | None | -177 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 432 | 4 | 2 | 10 | 3.1 | CCn1cc2c(nc(NC(=O)Nc3ccc4c(c3)OCO4)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm0109614 | ||
| CHEMBL165083 | 57274 | 0 | None | -177 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 432 | 4 | 2 | 10 | 3.1 | CCn1cc2c(nc(NC(=O)Nc3ccc4c(c3)OCO4)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm0109614 | ||
| 135874421 | 168934 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 477 | 8 | 2 | 8 | 3.1 | CCCn1c(=O)c2[nH]c(-c3cc(C)n(CC(=O)Nc4ccc(C)c(C)c4)n3)nc2n(CCC)c1=O | 10.1016/j.bmc.2007.11.058 | ||
| CHEMBL438938 | 168934 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 477 | 8 | 2 | 8 | 3.1 | CCCn1c(=O)c2[nH]c(-c3cc(C)n(CC(=O)Nc4ccc(C)c(C)c4)n3)nc2n(CCC)c1=O | 10.1016/j.bmc.2007.11.058 | ||
| 11466670 | 72890 | 0 | None | 25 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 527 | 8 | 1 | 9 | 4.3 | CCCn1c(=O)c2nc(-c3cnn(Cc4cc(-c5ccc(C(F)(F)F)cc5)on4)c3)[nH]c2n(CCC)c1=O | 10.1016/j.bmcl.2005.10.002 | ||
| CHEMBL200451 | 72890 | 0 | None | 25 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 527 | 8 | 1 | 9 | 4.3 | CCCn1c(=O)c2nc(-c3cnn(Cc4cc(-c5ccc(C(F)(F)F)cc5)on4)c3)[nH]c2n(CCC)c1=O | 10.1016/j.bmcl.2005.10.002 | ||
| 52946584 | 201803 | 0 | None | -3 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 496 | 7 | 3 | 6 | 3.5 | CCCC1C(=O)Nc2nc(-c3ccc(OCC(=O)NC4CC(C)(C)N([O])C(C)(C)C4)cc3)[nH]c2C1=O | 10.1021/jm049513x | ||
| CHEMBL607025 | 201803 | 0 | None | -3 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 496 | 7 | 3 | 6 | 3.5 | CCCC1C(=O)Nc2nc(-c3ccc(OCC(=O)NC4CC(C)(C)N([O])C(C)(C)C4)cc3)[nH]c2C1=O | 10.1021/jm049513x | ||
| 155524516 | 170943 | 0 | None | 2 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 432 | 5 | 2 | 7 | 0.4 | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(C)CC4)cc3)[nH]c2c1=O | 10.1021/acs.jmedchem.9b00071 | ||
| CHEMBL4455937 | 170943 | 0 | None | 2 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 432 | 5 | 2 | 7 | 0.4 | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(C)CC4)cc3)[nH]c2c1=O | 10.1021/acs.jmedchem.9b00071 | ||
| 45268873 | 196727 | 0 | None | 2 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 532 | 10 | 2 | 9 | 2.1 | CCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NN4CCc5ccccc5C4)cc3)nc2n(CCCOC)c1=O | 10.1016/j.bmc.2009.03.029 | ||
| CHEMBL565192 | 196727 | 0 | None | 2 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 532 | 10 | 2 | 9 | 2.1 | CCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NN4CCc5ccccc5C4)cc3)nc2n(CCCOC)c1=O | 10.1016/j.bmc.2009.03.029 | ||
| 136042335 | 71133 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 490 | 8 | 2 | 10 | 1.9 | CCCn1c(=O)c2[nH]c(-c3cc(OCc4nc(=O)c5ccccc5[nH]4)nn3C)nc2n(CCC)c1=O | 10.1021/jm201292w | ||
| CHEMBL1955911 | 71133 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 490 | 8 | 2 | 10 | 1.9 | CCCn1c(=O)c2[nH]c(-c3cc(OCc4nc(=O)c5ccccc5[nH]4)nn3C)nc2n(CCC)c1=O | 10.1021/jm201292w | ||
| 168273637 | 190292 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 410 | 7 | 1 | 8 | 2.0 | CCCn1c(=O)c2[nH]c(-c3ccc(OS(=O)(=O)F)cc3)nc2n(CCC)c1=O | 10.1039/d2md00132b | ||
| CHEMBL5176227 | 190292 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 410 | 7 | 1 | 8 | 2.0 | CCCn1c(=O)c2[nH]c(-c3ccc(OS(=O)(=O)F)cc3)nc2n(CCC)c1=O | 10.1039/d2md00132b | ||
| 168272084 | 190258 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 369 | 6 | 1 | 7 | 3.1 | CCCn1c(=O)c2[nH]c(-c3cccc(N=C=S)c3)nc2n(CCC)c1=O | 10.1039/d2md00132b | ||
| CHEMBL5175698 | 190258 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 369 | 6 | 1 | 7 | 3.1 | CCCn1c(=O)c2[nH]c(-c3cccc(N=C=S)c3)nc2n(CCC)c1=O | 10.1039/d2md00132b | ||
| 11662264 | 77254 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 444 | 7 | 1 | 7 | 3.4 | CCCn1c(=O)c2nc(-c3cnn(Cc4cc(F)ccc4Cl)c3)[nH]c2n(CCC)c1=O | 10.1021/jm051268+ | ||
| CHEMBL208143 | 77254 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 444 | 7 | 1 | 7 | 3.4 | CCCn1c(=O)c2nc(-c3cnn(Cc4cc(F)ccc4Cl)c3)[nH]c2n(CCC)c1=O | 10.1021/jm051268+ | ||
| 2980395 | 138982 | 13 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 339 | 3 | 1 | 6 | 4.0 | CCOC(=O)C1=C(C)Nc2nc3ccccc3n2C1c1cccs1 | 10.1021/acs.jmedchem.0c00564 | ||
| CHEMBL3785635 | 138982 | 13 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 339 | 3 | 1 | 6 | 4.0 | CCOC(=O)C1=C(C)Nc2nc3ccccc3n2C1c1cccs1 | 10.1021/acs.jmedchem.0c00564 | ||
| 2980395 | 138982 | 13 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 339 | 3 | 1 | 6 | 4.0 | CCOC(=O)C1=C(C)Nc2nc3ccccc3n2C1c1cccs1 | 10.1021/acs.jmedchem.5b01586 | ||
| CHEMBL3785635 | 138982 | 13 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 339 | 3 | 1 | 6 | 4.0 | CCOC(=O)C1=C(C)Nc2nc3ccccc3n2C1c1cccs1 | 10.1021/acs.jmedchem.5b01586 | ||
| 2980395 | 138982 | 13 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 339 | 3 | 1 | 6 | 4.0 | CCOC(=O)C1=C(C)Nc2nc3ccccc3n2C1c1cccs1 | 10.1021/acs.jmedchem.9b01340 | ||
| CHEMBL3785635 | 138982 | 13 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 339 | 3 | 1 | 6 | 4.0 | CCOC(=O)C1=C(C)Nc2nc3ccccc3n2C1c1cccs1 | 10.1021/acs.jmedchem.9b01340 | ||
| 44390528 | 122588 | 0 | None | 2 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 554 | 9 | 1 | 9 | 5.0 | CCCn1c(=O)c2nc(-c3ccc(OCc4nc(-c5ccc(C(F)(F)F)cc5)no4)cc3)[nH]c2n(CCC)c1=O | 10.1016/j.bmcl.2004.11.044 | ||
| CHEMBL360280 | 122588 | 0 | None | 2 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 554 | 9 | 1 | 9 | 5.0 | CCCn1c(=O)c2nc(-c3ccc(OCc4nc(-c5ccc(C(F)(F)F)cc5)no4)cc3)[nH]c2n(CCC)c1=O | 10.1016/j.bmcl.2004.11.044 | ||
| 52941244 | 19219 | 0 | None | -1 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 509 | 9 | 2 | 5 | 5.7 | C[C@@H](NC(=O)COc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccccc3)c2c1)c1ccccc1 | 10.1016/j.bmcl.2010.10.030 | ||
| CHEMBL1290209 | 19219 | 0 | None | -1 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 509 | 9 | 2 | 5 | 5.7 | C[C@@H](NC(=O)COc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccccc3)c2c1)c1ccccc1 | 10.1016/j.bmcl.2010.10.030 | ||
| 45273099 | 195603 | 0 | None | 10 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 378 | 9 | 1 | 8 | 1.9 | CCSCCn1c(=O)c2[nH]c(-c3ccco3)nc2n(CCCOC)c1=O | 10.1016/j.bmc.2009.03.029 | ||
| CHEMBL556264 | 195603 | 0 | None | 10 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 378 | 9 | 1 | 8 | 1.9 | CCSCCn1c(=O)c2[nH]c(-c3ccco3)nc2n(CCCOC)c1=O | 10.1016/j.bmc.2009.03.029 | ||
| 10219934 | 96259 | 8 | None | 1 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 208 | 1 | 1 | 5 | 0.0 | CC(C)n1c(=O)n(C)c(=O)c2[nH]cnc21 | 10.1021/jm0104318 | ||
| CHEMBL26119 | 96259 | 8 | None | 1 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 208 | 1 | 1 | 5 | 0.0 | CC(C)n1c(=O)n(C)c(=O)c2[nH]cnc21 | 10.1021/jm0104318 | ||
| 10737168 | 165311 | 0 | None | -288 | 6 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 359 | 5 | 1 | 8 | 2.9 | Nc1nc2nn(CCCc3ccccc3)cc2c2nc(-c3ccco3)nn12 | 10.1021/jm001047y | ||
| CHEMBL423542 | 165311 | 0 | None | -288 | 6 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 359 | 5 | 1 | 8 | 2.9 | Nc1nc2nn(CCCc3ccccc3)cc2c2nc(-c3ccco3)nn12 | 10.1021/jm001047y | ||
| 50940980 | 57255 | 2 | None | -3 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 283 | 4 | 1 | 5 | 3.3 | CCC(=O)Nc1cc(-c2ccoc2)nc(-c2ccoc2)n1 | 10.1021/jm100843z | ||
| CHEMBL1650391 | 57255 | 2 | None | -3 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 283 | 4 | 1 | 5 | 3.3 | CCC(=O)Nc1cc(-c2ccoc2)nc(-c2ccoc2)n1 | 10.1021/jm100843z | ||
| 136042335 | 71133 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 490 | 8 | 2 | 10 | 1.9 | CCCn1c(=O)c2[nH]c(-c3cc(OCc4nc(=O)c5ccccc5[nH]4)nn3C)nc2n(CCC)c1=O | 10.1021/jm201292w | ||
| CHEMBL1955911 | 71133 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 490 | 8 | 2 | 10 | 1.9 | CCCn1c(=O)c2[nH]c(-c3cc(OCc4nc(=O)c5ccccc5[nH]4)nn3C)nc2n(CCC)c1=O | 10.1021/jm201292w | ||
| 21958762 | 155756 | 0 | None | 3 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 288 | 4 | 2 | 6 | 0.7 | CCCn1c(=O)c2[nH]c(-c3cn[nH]c3)nc2n(CC)c1=O | 10.1021/jm7014815 | ||
| CHEMBL405901 | 155756 | 0 | None | 3 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 288 | 4 | 2 | 6 | 0.7 | CCCn1c(=O)c2[nH]c(-c3cn[nH]c3)nc2n(CC)c1=O | 10.1021/jm7014815 | ||
| 155511760 | 169586 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 391 | 3 | 1 | 6 | 4.4 | CC(C)OC(=O)C1=C(C(F)(F)F)Nc2nc3ccccc3n2C1c1ccoc1 | 10.1021/acs.jmedchem.9b01340 | ||
| CHEMBL4436567 | 169586 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 391 | 3 | 1 | 6 | 4.4 | CC(C)OC(=O)C1=C(C(F)(F)F)Nc2nc3ccccc3n2C1c1ccoc1 | 10.1021/acs.jmedchem.9b01340 | ||
| 122227309 | 177640 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 322 | 3 | 2 | 5 | 3.2 | CCOC(=O)C1=C(C)Nc2nc3ccccc3n2C1c1ccc[nH]1 | 10.1021/acs.jmedchem.0c00564 | ||
| CHEMBL4641601 | 177640 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 322 | 3 | 2 | 5 | 3.2 | CCOC(=O)C1=C(C)Nc2nc3ccccc3n2C1c1ccc[nH]1 | 10.1021/acs.jmedchem.0c00564 | ||
| 44588472 | 172588 | 0 | None | -2 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 341 | 6 | 1 | 5 | 3.0 | CCCn1c(=O)c2[nH]c(-c3ccc(OC)cc3)cc2n(CCC)c1=O | 10.1016/j.bmc.2008.09.067 | ||
| CHEMBL449133 | 172588 | 0 | None | -2 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 341 | 6 | 1 | 5 | 3.0 | CCCn1c(=O)c2[nH]c(-c3ccc(OC)cc3)cc2n(CCC)c1=O | 10.1016/j.bmc.2008.09.067 | ||
| CHEMBL5075422 | 214349 | 3 | None | -87 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | None | None | None | Cn1cc(-c2cnc(N)n3nc(-c4ccco4)nc23)ccc1=O | 10.1021/acsmedchemlett.1c00599 | ||||
| 71570366 | 86122 | 0 | None | -11 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 409 | 7 | 1 | 7 | 3.8 | COc1cccc(-c2cc(NC(C)=O)nc(-c3cccc(OC)c3OC)n2)c1OC | 10.1016/j.ejmech.2012.11.010 | ||
| CHEMBL2311745 | 86122 | 0 | None | -11 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 409 | 7 | 1 | 7 | 3.8 | COc1cccc(-c2cc(NC(C)=O)nc(-c3cccc(OC)c3OC)n2)c1OC | 10.1016/j.ejmech.2012.11.010 | ||
| 44236567 | 157278 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 430 | 6 | 1 | 7 | 2.9 | CCCn1c(=O)c2[nH]c(-c3cnn(CC#Cc4cccc(C)c4)c3)nc2n(CCC)c1=O | 10.1016/j.ejmech.2017.04.014 | ||
| CHEMBL4077090 | 157278 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 430 | 6 | 1 | 7 | 2.9 | CCCn1c(=O)c2[nH]c(-c3cnn(CC#Cc4cccc(C)c4)c3)nc2n(CCC)c1=O | 10.1016/j.ejmech.2017.04.014 | ||
| 44236420 | 156211 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 518 | 8 | 1 | 9 | 2.2 | CCCn1c(=O)c2[nH]c(-c3cnn(CC(=O)N4CCN(c5ccc(C)cc5)CC4)c3)nc2n(CCC)c1=O | 10.1016/j.ejmech.2016.11.007 | ||
| CHEMBL4064755 | 156211 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 518 | 8 | 1 | 9 | 2.2 | CCCn1c(=O)c2[nH]c(-c3cnn(CC(=O)N4CCN(c5ccc(C)cc5)CC4)c3)nc2n(CCC)c1=O | 10.1016/j.ejmech.2016.11.007 | ||
| 21958775 | 94744 | 0 | None | 19 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 380 | 5 | 2 | 6 | 1.9 | O=c1[nH]c2nc(-c3cnn(Cc4cccc(F)c4)c3)[nH]c2c(=O)n1CC1CC1 | 10.1016/j.bmcl.2008.01.008 | ||
| CHEMBL253252 | 94744 | 0 | None | 19 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 380 | 5 | 2 | 6 | 1.9 | O=c1[nH]c2nc(-c3cnn(Cc4cccc(F)c4)c3)[nH]c2c(=O)n1CC1CC1 | 10.1016/j.bmcl.2008.01.008 | ||
| 10246959 | 58734 | 0 | None | -15 | 6 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 345 | 4 | 1 | 8 | 2.6 | Nc1nc2nn(CCc3ccccc3)cc2c2nc(-c3ccco3)nn12 | 10.1021/jm030852k | ||
| CHEMBL16867 | 58734 | 0 | None | -15 | 6 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 345 | 4 | 1 | 8 | 2.6 | Nc1nc2nn(CCc3ccccc3)cc2c2nc(-c3ccco3)nn12 | 10.1021/jm030852k | ||
| 46880375 | 5907 | 0 | None | 29 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 339 | 4 | 1 | 4 | 4.4 | O=C(Nc1ccc(-c2ccncc2Cl)c(-c2ccco2)n1)C1CC1 | 10.1016/j.bmcl.2010.01.045 | ||
| CHEMBL1079803 | 5907 | 0 | None | 29 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 339 | 4 | 1 | 4 | 4.4 | O=C(Nc1ccc(-c2ccncc2Cl)c(-c2ccco2)n1)C1CC1 | 10.1016/j.bmcl.2010.01.045 | ||
| 46880419 | 6308 | 0 | None | 2 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 319 | 4 | 1 | 4 | 4.1 | Cc1ccc(-c2nc(NC(=O)C3CC3)ccc2-c2ccncc2)o1 | 10.1016/j.bmcl.2010.01.045 | ||
| CHEMBL1082005 | 6308 | 0 | None | 2 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 319 | 4 | 1 | 4 | 4.1 | Cc1ccc(-c2nc(NC(=O)C3CC3)ccc2-c2ccncc2)o1 | 10.1016/j.bmcl.2010.01.045 | ||
| 136042350 | 71121 | 0 | None | 30 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 496 | 8 | 2 | 9 | 3.2 | CCCn1c(=O)c2[nH]c(-c3cc(OCc4nc5cc(Cl)ccc5[nH]4)nn3C)nc2n(CCC)c1=O | 10.1021/jm201292w | ||
| CHEMBL1955899 | 71121 | 0 | None | 30 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 496 | 8 | 2 | 9 | 3.2 | CCCn1c(=O)c2[nH]c(-c3cc(OCc4nc5cc(Cl)ccc5[nH]4)nn3C)nc2n(CCC)c1=O | 10.1021/jm201292w | ||
| 11610638 | 166170 | 0 | None | 57 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 382 | 5 | 1 | 7 | 2.0 | CCn1c(=O)c2nc(-c3cnn(Cc4cccc(F)c4)c3)[nH]c2n(CC)c1=O | 10.1021/jm7014815 | ||
| CHEMBL426504 | 166170 | 0 | None | 57 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 382 | 5 | 1 | 7 | 2.0 | CCn1c(=O)c2nc(-c3cnn(Cc4cccc(F)c4)c3)[nH]c2n(CC)c1=O | 10.1021/jm7014815 | ||
| 53248700 | 60704 | 0 | None | 3 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 536 | 5 | 2 | 6 | 5.2 | CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)N3CCC(O)(c4cccc(C(F)(F)F)c4)CC3)sc12 | 10.1016/j.bmcl.2011.02.053 | ||
| CHEMBL1760899 | 60704 | 0 | None | 3 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 536 | 5 | 2 | 6 | 5.2 | CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)N3CCC(O)(c4cccc(C(F)(F)F)c4)CC3)sc12 | 10.1016/j.bmcl.2011.02.053 | ||
| 11610638 | 166170 | 0 | None | 57 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 382 | 5 | 1 | 7 | 2.0 | CCn1c(=O)c2nc(-c3cnn(Cc4cccc(F)c4)c3)[nH]c2n(CC)c1=O | 10.1021/jm051268+ | ||
| CHEMBL426504 | 166170 | 0 | None | 57 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 382 | 5 | 1 | 7 | 2.0 | CCn1c(=O)c2nc(-c3cnn(Cc4cccc(F)c4)c3)[nH]c2n(CC)c1=O | 10.1021/jm051268+ | ||
| 10246959 | 58734 | 0 | None | -15 | 6 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 345 | 4 | 1 | 8 | 2.6 | Nc1nc2nn(CCc3ccccc3)cc2c2nc(-c3ccco3)nn12 | 10.1021/jm001047y | ||
| CHEMBL16867 | 58734 | 0 | None | -15 | 6 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 345 | 4 | 1 | 8 | 2.6 | Nc1nc2nn(CCc3ccccc3)cc2c2nc(-c3ccco3)nn12 | 10.1021/jm001047y | ||
| 11576491 | 74419 | 0 | None | 20 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 474 | 9 | 2 | 6 | 4.4 | CCCn1c(=O)c2[nH]c(-c3ccc(OC(C)C(=O)Nc4ccccc4)cc3)cc2n(CCC)c1=O | 10.1021/jm0506221 | ||
| CHEMBL202766 | 74419 | 0 | None | 20 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 474 | 9 | 2 | 6 | 4.4 | CCCn1c(=O)c2[nH]c(-c3ccc(OC(C)C(=O)Nc4ccccc4)cc3)cc2n(CCC)c1=O | 10.1021/jm0506221 | ||
| 11497055 | 74420 | 0 | None | 7 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 504 | 10 | 2 | 7 | 4.4 | CCCn1c(=O)c2[nH]c(-c3ccc(OC(C)C(=O)Nc4ccc(OC)cc4)cc3)cc2n(CCC)c1=O | 10.1021/jm0506221 | ||
| CHEMBL202767 | 74420 | 0 | None | 7 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 504 | 10 | 2 | 7 | 4.4 | CCCn1c(=O)c2[nH]c(-c3ccc(OC(C)C(=O)Nc4ccc(OC)cc4)cc3)cc2n(CCC)c1=O | 10.1021/jm0506221 | ||
| 11649145 | 135179 | 0 | None | 1 | 5 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 508 | 8 | 2 | 6 | 4.8 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(-c5ccccc5)cc4)cc3)cc2n(C)c1=O | 10.1021/jm0506221 | ||
| CHEMBL372148 | 135179 | 0 | None | 1 | 5 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 508 | 8 | 2 | 6 | 4.8 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(-c5ccccc5)cc4)cc3)cc2n(C)c1=O | 10.1021/jm0506221 | ||
| 44451283 | 96434 | 0 | None | 20 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 473 | 5 | 1 | 7 | 2.0 | Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(c5ccccc5)CC4)cc3)cc2n(C)c1=O | 10.1016/j.bmc.2008.01.002 | ||
| CHEMBL262332 | 96434 | 0 | None | 20 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 473 | 5 | 1 | 7 | 2.0 | Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(c5ccccc5)CC4)cc3)cc2n(C)c1=O | 10.1016/j.bmc.2008.01.002 | ||
| 44236539 | 156768 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 460 | 7 | 2 | 8 | 2.3 | CCCn1c(=O)c2[nH]c(-c3cnn(CC#Cc4cccc(C(=O)O)c4)c3)nc2n(CCC)c1=O | 10.1016/j.ejmech.2017.04.014 | ||
| CHEMBL4070936 | 156768 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 460 | 7 | 2 | 8 | 2.3 | CCCn1c(=O)c2[nH]c(-c3cnn(CC#Cc4cccc(C(=O)O)c4)c3)nc2n(CCC)c1=O | 10.1016/j.ejmech.2017.04.014 | ||
| 71452718 | 78894 | 0 | None | 7 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 491 | 10 | 4 | 7 | 2.5 | CCCCn1c(=O)[nH]c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(CC(=O)O)cc4)cc3)nc2c1=O | 10.1021/jm049513x | ||
| CHEMBL2112962 | 78894 | 0 | None | 7 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 491 | 10 | 4 | 7 | 2.5 | CCCCn1c(=O)[nH]c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(CC(=O)O)cc4)cc3)nc2c1=O | 10.1021/jm049513x | ||
| 10863910 | 140814 | 0 | None | 7 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 491 | 9 | 3 | 8 | 2.7 | CCCCn1c(=O)[nH]c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(C(=O)OC)cc4)cc3)nc2c1=O | 10.1021/jm011049y | ||
| CHEMBL38193 | 140814 | 0 | None | 7 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 491 | 9 | 3 | 8 | 2.7 | CCCCn1c(=O)[nH]c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(C(=O)OC)cc4)cc3)nc2c1=O | 10.1021/jm011049y | ||
| 10050439 | 206313 | 0 | None | -1 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 471 | 7 | 2 | 9 | 2.2 | CCCn1c(=O)[nH]c2[nH]c(-c3ccc(S(=O)(=O)Oc4ccc([N+](=O)[O-])cc4)cc3)nc2c1=O | 10.1021/jm0310030 | ||
| CHEMBL8732 | 206313 | 0 | None | -1 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 471 | 7 | 2 | 9 | 2.2 | CCCn1c(=O)[nH]c2[nH]c(-c3ccc(S(=O)(=O)Oc4ccc([N+](=O)[O-])cc4)cc3)nc2c1=O | 10.1021/jm0310030 | ||
| 57988776 | 156635 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 519 | 9 | 1 | 7 | 3.9 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC4CC(=O)N(c5ccc(F)cc5)C4)cc3)nc2n(CCC)c1=O | 10.1016/j.ejmech.2016.11.007 | ||
| CHEMBL4069458 | 156635 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 519 | 9 | 1 | 7 | 3.9 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC4CC(=O)N(c5ccc(F)cc5)C4)cc3)nc2n(CCC)c1=O | 10.1016/j.ejmech.2016.11.007 | ||
| 162650047 | 180044 | 0 | None | -69 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 393 | 5 | 2 | 7 | 3.0 | COc1nc(-c2ncco2)nc(N)c1C(=O)NCc1c(Cl)cccc1Cl | 10.1021/acs.jmedchem.0c00237 | ||
| CHEMBL4747929 | 180044 | 0 | None | -69 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 393 | 5 | 2 | 7 | 3.0 | COc1nc(-c2ncco2)nc(N)c1C(=O)NCc1c(Cl)cccc1Cl | 10.1021/acs.jmedchem.0c00237 | ||
| 44185934 | 186686 | 0 | None | 14 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 403 | 4 | 2 | 6 | 1.3 | CCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCCCC4)cc3)[nH]c2c1=O | 10.1021/jm900413e | ||
| CHEMBL488542 | 186686 | 0 | None | 14 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 403 | 4 | 2 | 6 | 1.3 | CCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCCCC4)cc3)[nH]c2c1=O | 10.1021/jm900413e | ||
| 168297138 | 192217 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 368 | 5 | 2 | 7 | 1.1 | CCCn1c(=O)[nH]c2nc(-c3ccc(OS(=O)(=O)F)cc3)[nH]c2c1=O | 10.1039/d2md00132b | ||
| CHEMBL5205220 | 192217 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 368 | 5 | 2 | 7 | 1.1 | CCCn1c(=O)[nH]c2nc(-c3ccc(OS(=O)(=O)F)cc3)[nH]c2c1=O | 10.1039/d2md00132b | ||
| 135484064 | 2598 | 4 | None | 21 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 509 | 9 | 2 | 11 | 1.9 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1cc(nn1C)OCC(=O)Nc1ccc2c(c1)OCO2 | 10.1021/jm0309654 | ||
| 390 | 2598 | 4 | None | 21 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 509 | 9 | 2 | 11 | 1.9 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1cc(nn1C)OCC(=O)Nc1ccc2c(c1)OCO2 | 10.1021/jm0309654 | ||
| CHEMBL260331 | 2598 | 4 | None | 21 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 509 | 9 | 2 | 11 | 1.9 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1cc(nn1C)OCC(=O)Nc1ccc2c(c1)OCO2 | 10.1021/jm0309654 | ||
| 135484064 | 2598 | 4 | None | 21 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 509 | 9 | 2 | 11 | 1.9 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1cc(nn1C)OCC(=O)Nc1ccc2c(c1)OCO2 | 10.1021/jm0309654 | ||
| 390 | 2598 | 4 | None | 21 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 509 | 9 | 2 | 11 | 1.9 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1cc(nn1C)OCC(=O)Nc1ccc2c(c1)OCO2 | 10.1021/jm0309654 | ||
| CHEMBL260331 | 2598 | 4 | None | 21 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 509 | 9 | 2 | 11 | 1.9 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1cc(nn1C)OCC(=O)Nc1ccc2c(c1)OCO2 | 10.1021/jm0309654 | ||
| 135484064 | 2598 | 4 | None | 21 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 509 | 9 | 2 | 11 | 1.9 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1cc(nn1C)OCC(=O)Nc1ccc2c(c1)OCO2 | 10.1021/jm900413e | ||
| 390 | 2598 | 4 | None | 21 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 509 | 9 | 2 | 11 | 1.9 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1cc(nn1C)OCC(=O)Nc1ccc2c(c1)OCO2 | 10.1021/jm900413e | ||
| CHEMBL260331 | 2598 | 4 | None | 21 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 509 | 9 | 2 | 11 | 1.9 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1cc(nn1C)OCC(=O)Nc1ccc2c(c1)OCO2 | 10.1021/jm900413e | ||
| 135484064 | 2598 | 4 | None | 21 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 509 | 9 | 2 | 11 | 1.9 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1cc(nn1C)OCC(=O)Nc1ccc2c(c1)OCO2 | 10.1021/acs.jmedchem.5b01586 | ||
| 390 | 2598 | 4 | None | 21 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 509 | 9 | 2 | 11 | 1.9 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1cc(nn1C)OCC(=O)Nc1ccc2c(c1)OCO2 | 10.1021/acs.jmedchem.5b01586 | ||
| CHEMBL260331 | 2598 | 4 | None | 21 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 509 | 9 | 2 | 11 | 1.9 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1cc(nn1C)OCC(=O)Nc1ccc2c(c1)OCO2 | 10.1021/acs.jmedchem.5b01586 | ||
| 44236601 | 157557 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 500 | 7 | 1 | 8 | 3.5 | CCCn1c(=O)c2[nH]c(-c3cnn(CC#Cc4ccc(OC(F)(F)F)cc4)c3)nc2n(CCC)c1=O | 10.1016/j.ejmech.2017.04.014 | ||
| CHEMBL4080646 | 157557 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 500 | 7 | 1 | 8 | 3.5 | CCCn1c(=O)c2[nH]c(-c3cnn(CC#Cc4ccc(OC(F)(F)F)cc4)c3)nc2n(CCC)c1=O | 10.1016/j.ejmech.2017.04.014 | ||
| 44450982 | 100948 | 0 | None | 120 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 576 | 8 | 1 | 6 | 5.1 | CCCn1c(=O)n(C)c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCC(c5ccccc5)(c5ccccc5)CC4)cc3)cc21 | 10.1016/j.bmc.2008.01.002 | ||
| CHEMBL294223 | 100948 | 0 | None | 120 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 576 | 8 | 1 | 6 | 5.1 | CCCn1c(=O)n(C)c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCC(c5ccccc5)(c5ccccc5)CC4)cc3)cc21 | 10.1016/j.bmc.2008.01.002 | ||
| 135484064 | 2598 | 4 | None | 21 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 509 | 9 | 2 | 11 | 1.9 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1cc(nn1C)OCC(=O)Nc1ccc2c(c1)OCO2 | 10.1016/j.ejmech.2016.11.007 | ||
| 390 | 2598 | 4 | None | 21 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 509 | 9 | 2 | 11 | 1.9 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1cc(nn1C)OCC(=O)Nc1ccc2c(c1)OCO2 | 10.1016/j.ejmech.2016.11.007 | ||
| CHEMBL260331 | 2598 | 4 | None | 21 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 509 | 9 | 2 | 11 | 1.9 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1cc(nn1C)OCC(=O)Nc1ccc2c(c1)OCO2 | 10.1016/j.ejmech.2016.11.007 | ||
| 10226014 | 94562 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 452 | 6 | 2 | 9 | 2.4 | CCCn1c(=O)[nH]c2nc(-c3cnn(Cc4noc(-c5ccc(Cl)cc5)n4)c3)[nH]c2c1=O | 10.1021/acs.jmedchem.1c00261 | ||
| CHEMBL252048 | 94562 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 452 | 6 | 2 | 9 | 2.4 | CCCn1c(=O)[nH]c2nc(-c3cnn(Cc4noc(-c5ccc(Cl)cc5)n4)c3)[nH]c2c1=O | 10.1021/acs.jmedchem.1c00261 | ||
| 135484064 | 2598 | 4 | None | 21 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 509 | 9 | 2 | 11 | 1.9 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1cc(nn1C)OCC(=O)Nc1ccc2c(c1)OCO2 | 10.1021/jm201292w | ||
| 390 | 2598 | 4 | None | 21 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 509 | 9 | 2 | 11 | 1.9 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1cc(nn1C)OCC(=O)Nc1ccc2c(c1)OCO2 | 10.1021/jm201292w | ||
| CHEMBL260331 | 2598 | 4 | None | 21 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 509 | 9 | 2 | 11 | 1.9 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1cc(nn1C)OCC(=O)Nc1ccc2c(c1)OCO2 | 10.1021/jm201292w | ||
| 135484064 | 2598 | 4 | None | 21 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 509 | 9 | 2 | 11 | 1.9 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1cc(nn1C)OCC(=O)Nc1ccc2c(c1)OCO2 | 10.1021/jm201292w | ||
| 390 | 2598 | 4 | None | 21 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 509 | 9 | 2 | 11 | 1.9 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1cc(nn1C)OCC(=O)Nc1ccc2c(c1)OCO2 | 10.1021/jm201292w | ||
| CHEMBL260331 | 2598 | 4 | None | 21 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 509 | 9 | 2 | 11 | 1.9 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1cc(nn1C)OCC(=O)Nc1ccc2c(c1)OCO2 | 10.1021/jm201292w | ||
| 136042343 | 71140 | 0 | None | 11 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 501 | 8 | 2 | 9 | 3.6 | CCCn1c(=O)c2[nH]c(-c3cc(OCc4nc5cc(Cl)c(F)cc5[nH]4)no3)nc2n(CCC)c1=O | 10.1021/jm201292w | ||
| CHEMBL1955919 | 71140 | 0 | None | 11 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 501 | 8 | 2 | 9 | 3.6 | CCCn1c(=O)c2[nH]c(-c3cc(OCc4nc5cc(Cl)c(F)cc5[nH]4)no3)nc2n(CCC)c1=O | 10.1021/jm201292w | ||
| 135484064 | 2598 | 4 | None | 21 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 509 | 9 | 2 | 11 | 1.9 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1cc(nn1C)OCC(=O)Nc1ccc2c(c1)OCO2 | 10.1016/j.bmc.2007.11.058 | ||
| 390 | 2598 | 4 | None | 21 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 509 | 9 | 2 | 11 | 1.9 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1cc(nn1C)OCC(=O)Nc1ccc2c(c1)OCO2 | 10.1016/j.bmc.2007.11.058 | ||
| CHEMBL260331 | 2598 | 4 | None | 21 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 509 | 9 | 2 | 11 | 1.9 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1cc(nn1C)OCC(=O)Nc1ccc2c(c1)OCO2 | 10.1016/j.bmc.2007.11.058 | ||
| 10895702 | 139155 | 0 | None | 3 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 454 | 8 | 2 | 7 | 1.4 | CCCCn1c(=O)[nH]c2[nH]c(-c3ccc(OCC(=O)N4CCN(CC)CC4)cc3)nc2c1=O | 10.1021/jm049513x | ||
| CHEMBL37875 | 139155 | 0 | None | 3 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 454 | 8 | 2 | 7 | 1.4 | CCCCn1c(=O)[nH]c2[nH]c(-c3ccc(OCC(=O)N4CCN(CC)CC4)cc3)nc2c1=O | 10.1021/jm049513x | ||
| 10895702 | 139155 | 0 | None | 3 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 454 | 8 | 2 | 7 | 1.4 | CCCCn1c(=O)[nH]c2[nH]c(-c3ccc(OCC(=O)N4CCN(CC)CC4)cc3)nc2c1=O | 10.1021/jm011049y | ||
| CHEMBL37875 | 139155 | 0 | None | 3 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 454 | 8 | 2 | 7 | 1.4 | CCCCn1c(=O)[nH]c2[nH]c(-c3ccc(OCC(=O)N4CCN(CC)CC4)cc3)nc2c1=O | 10.1021/jm011049y | ||
| 11510702 | 73089 | 0 | None | 11 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 450 | 7 | 2 | 6 | 3.3 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(F)cc4)cc3)cc2n(C)c1=O | 10.1021/jm0506221 | ||
| CHEMBL201127 | 73089 | 0 | None | 11 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 450 | 7 | 2 | 6 | 3.3 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(F)cc4)cc3)cc2n(C)c1=O | 10.1021/jm0506221 | ||
| 44450982 | 100948 | 0 | None | 120 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 576 | 8 | 1 | 6 | 5.1 | CCCn1c(=O)n(C)c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCC(c5ccccc5)(c5ccccc5)CC4)cc3)cc21 | 10.1016/j.bmc.2008.01.002 | ||
| CHEMBL294223 | 100948 | 0 | None | 120 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 576 | 8 | 1 | 6 | 5.1 | CCCn1c(=O)n(C)c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCC(c5ccccc5)(c5ccccc5)CC4)cc3)cc21 | 10.1016/j.bmc.2008.01.002 | ||
| 155552405 | 174031 | 0 | None | 25 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 522 | 6 | 2 | 7 | 1.6 | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(C(=O)c5ccccc5)CC4)cc3)[nH]c2c1=O | 10.1021/acs.jmedchem.9b00071 | ||
| CHEMBL4543948 | 174031 | 0 | None | 25 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 522 | 6 | 2 | 7 | 1.6 | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(C(=O)c5ccccc5)CC4)cc3)[nH]c2c1=O | 10.1021/acs.jmedchem.9b00071 | ||
| 44451100 | 156862 | 0 | None | 109 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 592 | 7 | 1 | 9 | 4.1 | CCCn1c(=O)n(C)c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(c5nc6ccc(Cl)cc6s5)CC4)cc3)cc21 | 10.1016/j.bmc.2008.01.002 | ||
| CHEMBL407202 | 156862 | 0 | None | 109 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 592 | 7 | 1 | 9 | 4.1 | CCCn1c(=O)n(C)c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(c5nc6ccc(Cl)cc6s5)CC4)cc3)cc21 | 10.1016/j.bmc.2008.01.002 | ||
| 11621020 | 72765 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 558 | 7 | 2 | 6 | 3.7 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(I)cc4)cc3)cc2n(C)c1=O | 10.1021/jm0506221 | ||
| CHEMBL200052 | 72765 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 558 | 7 | 2 | 6 | 3.7 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(I)cc4)cc3)cc2n(C)c1=O | 10.1021/jm0506221 | ||
| 44236503 | 158035 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 434 | 6 | 1 | 7 | 2.8 | CCCn1c(=O)c2[nH]c(-c3cnn(CC#Cc4ccc(F)cc4)c3)nc2n(CCC)c1=O | 10.1016/j.ejmech.2017.04.014 | ||
| CHEMBL4086077 | 158035 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 434 | 6 | 1 | 7 | 2.8 | CCCn1c(=O)c2[nH]c(-c3cnn(CC#Cc4ccc(F)cc4)c3)nc2n(CCC)c1=O | 10.1016/j.ejmech.2017.04.014 | ||
| 44574252 | 178458 | 0 | None | 1 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 450 | 8 | 3 | 7 | 3.5 | CCCn1c(=O)c2[nH]c(-c3ccc(COC(=O)Nc4cc[nH]n4)cc3)cc2n(CCC)c1=O | 10.1016/j.bmc.2009.03.062 | ||
| CHEMBL466453 | 178458 | 0 | None | 1 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 450 | 8 | 3 | 7 | 3.5 | CCCn1c(=O)c2[nH]c(-c3ccc(COC(=O)Nc4cc[nH]n4)cc3)cc2n(CCC)c1=O | 10.1016/j.bmc.2009.03.062 | ||
| 145967791 | 164798 | 0 | None | 10 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 659 | 12 | 3 | 7 | 5.0 | CCCn1c(=O)[nH]c2nc(-c3ccc(OCC(=O)NCCCCCC4=C5C(C)=CC(C)=[N+]5[B-](F)(F)n5c(C)cc(C)c54)cc3)[nH]c2c1=O | 10.1021/acs.jmedchem.7b01627 | ||
| CHEMBL4218673 | 164798 | 0 | None | 10 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 659 | 12 | 3 | 7 | 5.0 | CCCn1c(=O)[nH]c2nc(-c3ccc(OCC(=O)NCCCCCC4=C5C(C)=CC(C)=[N+]5[B-](F)(F)n5c(C)cc(C)c54)cc3)[nH]c2c1=O | 10.1021/acs.jmedchem.7b01627 | ||
| 10196114 | 63943 | 11 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 516 | 10 | 1 | 10 | 4.0 | CCCn1c(=O)c2nc(-c3ccc(OCc4noc(-c5cccc(OC)c5)n4)cc3)[nH]c2n(CCC)c1=O | 10.1016/j.bmcl.2004.11.044 | ||
| CHEMBL180693 | 63943 | 11 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 516 | 10 | 1 | 10 | 4.0 | CCCn1c(=O)c2nc(-c3ccc(OCc4noc(-c5cccc(OC)c5)n4)cc3)[nH]c2n(CCC)c1=O | 10.1016/j.bmcl.2004.11.044 | ||
| 135465774 | 111452 | 0 | None | 64 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 467 | 8 | 2 | 8 | 2.4 | CCCn1c(=O)c2nc(-c3cc(NC(=O)Cc4cccc(F)c4)nn3C)[nH]c2n(CCC)c1=O | 10.1021/jm0309654 | ||
| CHEMBL32770 | 111452 | 0 | None | 64 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 467 | 8 | 2 | 8 | 2.4 | CCCn1c(=O)c2nc(-c3cc(NC(=O)Cc4cccc(F)c4)nn3C)[nH]c2n(CCC)c1=O | 10.1021/jm0309654 | ||
| 135465774 | 111452 | 0 | None | 64 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 467 | 8 | 2 | 8 | 2.4 | CCCn1c(=O)c2nc(-c3cc(NC(=O)Cc4cccc(F)c4)nn3C)[nH]c2n(CCC)c1=O | 10.1021/jm0309654 | ||
| CHEMBL32770 | 111452 | 0 | None | 64 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 467 | 8 | 2 | 8 | 2.4 | CCCn1c(=O)c2nc(-c3cc(NC(=O)Cc4cccc(F)c4)nn3C)[nH]c2n(CCC)c1=O | 10.1021/jm0309654 | ||
| 10196114 | 63943 | 11 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 516 | 10 | 1 | 10 | 4.0 | CCCn1c(=O)c2nc(-c3ccc(OCc4noc(-c5cccc(OC)c5)n4)cc3)[nH]c2n(CCC)c1=O | 10.1021/jm201292w | ||
| CHEMBL180693 | 63943 | 11 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 516 | 10 | 1 | 10 | 4.0 | CCCn1c(=O)c2nc(-c3ccc(OCc4noc(-c5cccc(OC)c5)n4)cc3)[nH]c2n(CCC)c1=O | 10.1021/jm201292w | ||
| 10905799 | 119884 | 0 | None | -7 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 416 | 6 | 2 | 8 | 4.2 | CCCCn1cc2c(nc(NC(=O)Nc3ccccc3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm0109614 | ||
| CHEMBL349240 | 119884 | 0 | None | -7 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 416 | 6 | 2 | 8 | 4.2 | CCCCn1cc2c(nc(NC(=O)Nc3ccccc3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm0109614 | ||
| 44588515 | 175133 | 0 | None | 2 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 372 | 6 | 2 | 7 | 2.6 | CCCn1c(=O)c2[nH]c(-c3ccc([N+](=O)[O-])cc3)c(O)c2n(CCC)c1=O | 10.1016/j.bmc.2008.09.067 | ||
| CHEMBL457014 | 175133 | 0 | None | 2 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 372 | 6 | 2 | 7 | 2.6 | CCCn1c(=O)c2[nH]c(-c3ccc([N+](=O)[O-])cc3)c(O)c2n(CCC)c1=O | 10.1016/j.bmc.2008.09.067 | ||
| 176407 | 4117 | 84 | None | -34 | 6 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 337 | 5 | 3 | 9 | 1.7 | Oc1ccc(cc1)CCNc1nc(N)n2c(n1)nc(n2)c1ccco1 | 10.1021/acs.jmedchem.0c00237 | ||
| 405 | 4117 | 84 | None | -34 | 6 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 337 | 5 | 3 | 9 | 1.7 | Oc1ccc(cc1)CCNc1nc(N)n2c(n1)nc(n2)c1ccco1 | 10.1021/acs.jmedchem.0c00237 | ||
| CHEMBL113142 | 4117 | 84 | None | -34 | 6 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 337 | 5 | 3 | 9 | 1.7 | Oc1ccc(cc1)CCNc1nc(N)n2c(n1)nc(n2)c1ccco1 | 10.1021/acs.jmedchem.0c00237 | ||
| DB08770 | 4117 | 84 | None | -34 | 6 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 337 | 5 | 3 | 9 | 1.7 | Oc1ccc(cc1)CCNc1nc(N)n2c(n1)nc(n2)c1ccco1 | 10.1021/acs.jmedchem.0c00237 | ||
| 176407 | 4117 | 84 | None | -34 | 6 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 337 | 5 | 3 | 9 | 1.7 | Oc1ccc(cc1)CCNc1nc(N)n2c(n1)nc(n2)c1ccco1 | 10.1021/jm4011669 | ||
| 405 | 4117 | 84 | None | -34 | 6 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 337 | 5 | 3 | 9 | 1.7 | Oc1ccc(cc1)CCNc1nc(N)n2c(n1)nc(n2)c1ccco1 | 10.1021/jm4011669 | ||
| CHEMBL113142 | 4117 | 84 | None | -34 | 6 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 337 | 5 | 3 | 9 | 1.7 | Oc1ccc(cc1)CCNc1nc(N)n2c(n1)nc(n2)c1ccco1 | 10.1021/jm4011669 | ||
| DB08770 | 4117 | 84 | None | -34 | 6 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 337 | 5 | 3 | 9 | 1.7 | Oc1ccc(cc1)CCNc1nc(N)n2c(n1)nc(n2)c1ccco1 | 10.1021/jm4011669 | ||
| CHEMBL5084351 | 214887 | 4 | None | -33 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | None | None | None | N#Cc1c(-c2ccccc2)nc(N)nc1-c1cccc(O)c1 | 10.1021/acs.jmedchem.1c01636 | ||||
| 56844240 | 1102 | 0 | None | -11 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 277 | 2 | 1 | 5 | 2.8 | Nc1nnc(c(n1)c1ccccc1)c1cc(C)nc(c1)C | 10.1021/jm201376w | ||
| 9236 | 1102 | 0 | None | -11 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 277 | 2 | 1 | 5 | 2.8 | Nc1nnc(c(n1)c1ccccc1)c1cc(C)nc(c1)C | 10.1021/jm201376w | ||
| CHEMBL2024115 | 1102 | 0 | None | -11 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 277 | 2 | 1 | 5 | 2.8 | Nc1nnc(c(n1)c1ccccc1)c1cc(C)nc(c1)C | 10.1021/jm201376w | ||
| 137636304 | 156177 | 0 | None | -691 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 419 | 4 | 2 | 7 | 3.4 | COc1ccc(N2CCOCC2)c2sc(NC(=O)C3(C)CCC(C)(O)CC3)nc12 | 10.1021/acs.jmedchem.6b01584 | ||
| CHEMBL4064207 | 156177 | 0 | None | -691 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 419 | 4 | 2 | 7 | 3.4 | COc1ccc(N2CCOCC2)c2sc(NC(=O)C3(C)CCC(C)(O)CC3)nc12 | 10.1021/acs.jmedchem.6b01584 | ||
| 132941757 | 158875 | 0 | None | -870 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 460 | 7 | 1 | 7 | 4.4 | CCN(CC)C1CCC(C)(C(=O)Nc2nc3c(OC)ccc(N4CCOCC4)c3s2)CC1 | 10.1021/acs.jmedchem.6b01584 | ||
| CHEMBL4095355 | 158875 | 0 | None | -870 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 460 | 7 | 1 | 7 | 4.4 | CCN(CC)C1CCC(C)(C(=O)Nc2nc3c(OC)ccc(N4CCOCC4)c3s2)CC1 | 10.1021/acs.jmedchem.6b01584 | ||
| 145973260 | 164574 | 0 | None | -11481 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 568 | 9 | 1 | 14 | 1.5 | COCCOc1ccc(N2CCN(CCn3c(=O)n(C)c4c3nc(N)n3nc(-c5nccs5)nc43)CC2)cc1F | 10.1021/acsmedchemlett.7b00175 | ||
| CHEMBL4215754 | 164574 | 0 | None | -11481 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 568 | 9 | 1 | 14 | 1.5 | COCCOc1ccc(N2CCN(CCn3c(=O)n(C)c4c3nc(N)n3nc(-c5nccs5)nc43)CC2)cc1F | 10.1021/acsmedchemlett.7b00175 | ||
| 11618368 | 3818 | 77 | None | -501 | 5 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 406 | 3 | 2 | 7 | 2.5 | COc1ccc(c2c1nc(s2)NC(=O)N1CCC(CC1)(C)O)N1CCOCC1 | 10.1021/acs.jmedchem.6b01584 | ||
| 5611 | 3818 | 77 | None | -501 | 5 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 406 | 3 | 2 | 7 | 2.5 | COc1ccc(c2c1nc(s2)NC(=O)N1CCC(CC1)(C)O)N1CCOCC1 | 10.1021/acs.jmedchem.6b01584 | ||
| CHEMBL2105747 | 3818 | 77 | None | -501 | 5 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 406 | 3 | 2 | 7 | 2.5 | COc1ccc(c2c1nc(s2)NC(=O)N1CCC(CC1)(C)O)N1CCOCC1 | 10.1021/acs.jmedchem.6b01584 | ||
| DB12203 | 3818 | 77 | None | -501 | 5 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 406 | 3 | 2 | 7 | 2.5 | COc1ccc(c2c1nc(s2)NC(=O)N1CCC(CC1)(C)O)N1CCOCC1 | 10.1021/acs.jmedchem.6b01584 | ||
| 137634085 | 156265 | 0 | None | -1258 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 463 | 6 | 1 | 7 | 4.2 | COc1ccc(N2CCOCC2)c2sc(NC(=O)C(C)(C)Oc3ccc(F)c(F)c3)nc12 | 10.1021/acs.jmedchem.6b01584 | ||
| CHEMBL4065326 | 156265 | 0 | None | -1258 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 463 | 6 | 1 | 7 | 4.2 | COc1ccc(N2CCOCC2)c2sc(NC(=O)C(C)(C)Oc3ccc(F)c(F)c3)nc12 | 10.1021/acs.jmedchem.6b01584 | ||
| 44574223 | 178687 | 0 | None | 6 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 466 | 8 | 2 | 7 | 4.8 | CCCn1c(=O)c2[nH]c(-c3ccc(COC(=O)Nc4ccsc4)cc3)cc2n(CCC)c1=O | 10.1016/j.bmc.2009.03.062 | ||
| CHEMBL468306 | 178687 | 0 | None | 6 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 466 | 8 | 2 | 7 | 4.8 | CCCn1c(=O)c2[nH]c(-c3ccc(COC(=O)Nc4ccsc4)cc3)cc2n(CCC)c1=O | 10.1016/j.bmc.2009.03.062 | ||
| 44452435 | 96583 | 0 | None | -39 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 4.1 | O=C(CCc1ccccc1)Nc1nc2ccccc2n2nc(-c3ccco3)nc12 | 10.1016/j.bmc.2007.10.103 | ||
| CHEMBL263372 | 96583 | 0 | None | -39 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 4.1 | O=C(CCc1ccccc1)Nc1nc2ccccc2n2nc(-c3ccco3)nc12 | 10.1016/j.bmc.2007.10.103 | ||
| 10346511 | 103020 | 5 | None | -2754 | 8 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 517 | 5 | 4 | 9 | 1.3 | OC[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)[C@H](O)[C@@H]1O | 10.1021/jm9905965 | ||
| CHEMBL307199 | 103020 | 5 | None | -2754 | 8 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 517 | 5 | 4 | 9 | 1.3 | OC[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)[C@H](O)[C@@H]1O | 10.1021/jm9905965 | ||
| 11995448 | 141434 | 0 | None | -22 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 473 | 9 | 2 | 8 | 2.0 | CCCn1c(=O)c2nc([C@]34CC[C@](C(=O)NCCC(=O)OC)(CC3)CC4)[nH]c2n(CCC)c1=O | 10.1021/jm0605381 | ||
| CHEMBL384257 | 141434 | 0 | None | -22 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 473 | 9 | 2 | 8 | 2.0 | CCCn1c(=O)c2nc([C@]34CC[C@](C(=O)NCCC(=O)OC)(CC3)CC4)[nH]c2n(CCC)c1=O | 10.1021/jm0605381 | ||
| 24827556 | 159756 | 0 | None | 2 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 381 | 5 | 1 | 8 | 0.8 | CCCn1c(=O)c2[nH]c(-c3cnn(-c4ccc[n+]([O-])c4)c3)nc2n(CC)c1=O | 10.1021/jm7014815 | ||
| CHEMBL410529 | 159756 | 0 | None | 2 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 381 | 5 | 1 | 8 | 0.8 | CCCn1c(=O)c2[nH]c(-c3cnn(-c4ccc[n+]([O-])c4)c3)nc2n(CC)c1=O | 10.1021/jm7014815 | ||
| 156015785 | 177593 | 0 | None | -2 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 324 | 3 | 1 | 7 | 2.9 | CCOC(=O)C1=C(C)Nc2nc3ccccc3n2C1c1cnco1 | 10.1021/acs.jmedchem.0c00564 | ||
| CHEMBL4640980 | 177593 | 0 | None | -2 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 324 | 3 | 1 | 7 | 2.9 | CCOC(=O)C1=C(C)Nc2nc3ccccc3n2C1c1cnco1 | 10.1021/acs.jmedchem.0c00564 | ||
| 135493292 | 100250 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 512 | 11 | 2 | 11 | 2.4 | CCCn1c(=O)c2nc(-c3cc(OCC(=O)Nc4ccc(OC)c(OC)c4)no3)[nH]c2n(CCC)c1=O | 10.1021/jm0309654 | ||
| CHEMBL289002 | 100250 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 512 | 11 | 2 | 11 | 2.4 | CCCn1c(=O)c2nc(-c3cc(OCC(=O)Nc4ccc(OC)c(OC)c4)no3)[nH]c2n(CCC)c1=O | 10.1021/jm0309654 | ||
| 135485985 | 98551 | 43 | None | -2 | 6 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 241 | 1 | 2 | 7 | 0.8 | Nc1nc2n[nH]cc2c2nc(-c3ccco3)nn12 | 10.1021/jm001047y | ||
| CHEMBL276738 | 98551 | 43 | None | -2 | 6 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 241 | 1 | 2 | 7 | 0.8 | Nc1nc2n[nH]cc2c2nc(-c3ccco3)nn12 | 10.1021/jm001047y | ||
| 137650430 | 157175 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 290 | 3 | 2 | 5 | 1.7 | CCOC(=O)C1=C(C)N/C(=N\C#N)NC1c1cccs1 | 10.1021/acs.jmedchem.7b00138 | ||
| CHEMBL4075899 | 157175 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 290 | 3 | 2 | 5 | 1.7 | CCOC(=O)C1=C(C)N/C(=N\C#N)NC1c1cccs1 | 10.1021/acs.jmedchem.7b00138 | ||
| 1329 | 1460 | 86 | None | -1288 | 14 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 304 | 5 | 1 | 5 | 2.4 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C1CCCC1 | 10.1016/j.bmc.2010.09.043 | ||
| 386 | 1460 | 86 | None | -1288 | 14 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 304 | 5 | 1 | 5 | 2.4 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C1CCCC1 | 10.1016/j.bmc.2010.09.043 | ||
| CHEMBL183 | 1460 | 86 | None | -1288 | 14 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 304 | 5 | 1 | 5 | 2.4 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C1CCCC1 | 10.1016/j.bmc.2010.09.043 | ||
| DB12946 | 1460 | 86 | None | -1288 | 14 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 304 | 5 | 1 | 5 | 2.4 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C1CCCC1 | 10.1016/j.bmc.2010.09.043 | ||
| 1329 | 1460 | 86 | None | -1288 | 14 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 304 | 5 | 1 | 5 | 2.4 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C1CCCC1 | 10.1021/jm049513x | ||
| 386 | 1460 | 86 | None | -1288 | 14 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 304 | 5 | 1 | 5 | 2.4 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C1CCCC1 | 10.1021/jm049513x | ||
| CHEMBL183 | 1460 | 86 | None | -1288 | 14 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 304 | 5 | 1 | 5 | 2.4 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C1CCCC1 | 10.1021/jm049513x | ||
| DB12946 | 1460 | 86 | None | -1288 | 14 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 304 | 5 | 1 | 5 | 2.4 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C1CCCC1 | 10.1021/jm049513x | ||
| 1329 | 1460 | 86 | None | -1288 | 14 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 304 | 5 | 1 | 5 | 2.4 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C1CCCC1 | 10.1021/jm011049y | ||
| 386 | 1460 | 86 | None | -1288 | 14 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 304 | 5 | 1 | 5 | 2.4 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C1CCCC1 | 10.1021/jm011049y | ||
| CHEMBL183 | 1460 | 86 | None | -1288 | 14 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 304 | 5 | 1 | 5 | 2.4 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C1CCCC1 | 10.1021/jm011049y | ||
| DB12946 | 1460 | 86 | None | -1288 | 14 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 304 | 5 | 1 | 5 | 2.4 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C1CCCC1 | 10.1021/jm011049y | ||
| 137660466 | 159263 | 0 | None | -2 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 288 | 3 | 1 | 2 | 4.4 | CC(=O)Nc1cc(-c2ccccc2)cc(-c2ccccc2)n1 | 10.1021/acs.jmedchem.7b00860 | ||
| CHEMBL4099480 | 159263 | 0 | None | -2 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 288 | 3 | 1 | 2 | 4.4 | CC(=O)Nc1cc(-c2ccccc2)cc(-c2ccccc2)n1 | 10.1021/acs.jmedchem.7b00860 | ||
| 11495410 | 72664 | 0 | None | 3 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 418 | 6 | 2 | 6 | 1.9 | Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NCc4ccccc4)cc3)cc2n(C)c1=O | 10.1021/jm0506221 | ||
| CHEMBL199688 | 72664 | 0 | None | 3 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 418 | 6 | 2 | 6 | 1.9 | Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NCc4ccccc4)cc3)cc2n(C)c1=O | 10.1021/jm0506221 | ||
| 11590453 | 72695 | 0 | None | 6 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 448 | 7 | 2 | 7 | 1.9 | COc1cccc(CNC(=O)COc2ccc(-c3cc4c([nH]3)c(=O)n(C)c(=O)n4C)cc2)c1 | 10.1021/jm0506221 | ||
| CHEMBL199826 | 72695 | 0 | None | 6 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 448 | 7 | 2 | 7 | 1.9 | COc1cccc(CNC(=O)COc2ccc(-c3cc4c([nH]3)c(=O)n(C)c(=O)n4C)cc2)c1 | 10.1021/jm0506221 | ||
| 44451480 | 95777 | 0 | None | 45 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 503 | 6 | 1 | 8 | 2.0 | COc1ccccc1N1CCN(C(=O)COc2ccc(-c3cc4c([nH]3)c(=O)n(C)c(=O)n4C)cc2)CC1 | 10.1016/j.bmc.2008.01.002 | ||
| CHEMBL258778 | 95777 | 0 | None | 45 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 503 | 6 | 1 | 8 | 2.0 | COc1ccccc1N1CCN(C(=O)COc2ccc(-c3cc4c([nH]3)c(=O)n(C)c(=O)n4C)cc2)CC1 | 10.1016/j.bmc.2008.01.002 | ||
| 44451201 | 96102 | 0 | None | 30 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 619 | 11 | 1 | 7 | 5.3 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(C(c5ccccc5)c5ccccc5)CC4)cc3)cc2n(CCC)c1=O | 10.1016/j.bmc.2008.01.002 | ||
| CHEMBL260434 | 96102 | 0 | None | 30 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 619 | 11 | 1 | 7 | 5.3 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(C(c5ccccc5)c5ccccc5)CC4)cc3)cc2n(CCC)c1=O | 10.1016/j.bmc.2008.01.002 | ||
| 168273637 | 190292 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 410 | 7 | 1 | 8 | 2.0 | CCCn1c(=O)c2[nH]c(-c3ccc(OS(=O)(=O)F)cc3)nc2n(CCC)c1=O | 10.1039/d2md00132b | ||
| CHEMBL5176227 | 190292 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 410 | 7 | 1 | 8 | 2.0 | CCCn1c(=O)c2[nH]c(-c3ccc(OS(=O)(=O)F)cc3)nc2n(CCC)c1=O | 10.1039/d2md00132b | ||
| CHEMBL5079596 | 214602 | 0 | None | -1 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | None | None | None | N#Cc1c(-c2ccccc2)nc(Nc2ccccc2)nc1-c1ccc(F)cc1 | 10.1021/acs.jmedchem.1c01636 | ||||
| 14978313 | 102628 | 0 | None | 4 | 5 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 204 | 1 | 1 | 5 | -0.9 | C#CCn1c(=O)c2[nH]cnc2n(C)c1=O | 10.1021/jm0104318 | ||
| CHEMBL304455 | 102628 | 0 | None | 4 | 5 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 204 | 1 | 1 | 5 | -0.9 | C#CCn1c(=O)c2[nH]cnc2n(C)c1=O | 10.1021/jm0104318 | ||
| 165412580 | 191978 | 4 | None | -50 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 450 | 11 | 3 | 9 | 3.6 | Nc1nc(-c2ccco2)c2cnn(Cc3cccc(OCCCCCCC(=O)NO)c3)c2n1 | 10.1016/j.ejmech.2022.114326 | ||
| CHEMBL5201523 | 191978 | 4 | None | -50 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 450 | 11 | 3 | 9 | 3.6 | Nc1nc(-c2ccco2)c2cnn(Cc3cccc(OCCCCCCC(=O)NO)c3)c2n1 | 10.1016/j.ejmech.2022.114326 | ||
| 12351799 | 189296 | 0 | None | 4 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 285 | 1 | 2 | 5 | 1.2 | Cc1ccc(-c2[nH]c3c(=O)n(C)c(=O)n(C)c3c2O)cc1 | 10.1016/j.bmc.2008.09.067 | ||
| CHEMBL512388 | 189296 | 0 | None | 4 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 285 | 1 | 2 | 5 | 1.2 | Cc1ccc(-c2[nH]c3c(=O)n(C)c(=O)n(C)c3c2O)cc1 | 10.1016/j.bmc.2008.09.067 | ||
| 11313850 | 111548 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 341 | 5 | 1 | 7 | 2.0 | CCCn1c(=O)c2c(nc(-c3ccc(N)cc3)n2C)n(CCC)c1=O | 10.1021/jm0309654 | ||
| CHEMBL32814 | 111548 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 341 | 5 | 1 | 7 | 2.0 | CCCn1c(=O)c2c(nc(-c3ccc(N)cc3)n2C)n(CCC)c1=O | 10.1021/jm0309654 | ||
| 156020536 | 178125 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 336 | 3 | 2 | 5 | 3.6 | CC1=C(C(=O)OC(C)C)C(c2cc[nH]c2)n2c(nc3ccccc32)N1 | 10.1021/acs.jmedchem.0c00564 | ||
| CHEMBL4648862 | 178125 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 336 | 3 | 2 | 5 | 3.6 | CC1=C(C(=O)OC(C)C)C(c2cc[nH]c2)n2c(nc3ccccc32)N1 | 10.1021/acs.jmedchem.0c00564 | ||
| 21958721 | 64103 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 520 | 9 | 1 | 9 | 4.7 | CCCn1c(=O)c2nc(-c3ccc(OCc4nc(-c5ccc(Cl)cc5)no4)cc3)[nH]c2n(CCC)c1=O | 10.1016/j.bmcl.2004.11.044 | ||
| CHEMBL180832 | 64103 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 520 | 9 | 1 | 9 | 4.7 | CCCn1c(=O)c2nc(-c3ccc(OCc4nc(-c5ccc(Cl)cc5)no4)cc3)[nH]c2n(CCC)c1=O | 10.1016/j.bmcl.2004.11.044 | ||
| 11494318 | 72227 | 0 | None | -10 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 215 | 1 | 1 | 7 | 0.1 | Cn1c(-n2nccn2)nc2c(N)nccc21 | 10.1021/jm058018d | ||
| CHEMBL198200 | 72227 | 0 | None | -10 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 215 | 1 | 1 | 7 | 0.1 | Cn1c(-n2nccn2)nc2c(N)nccc21 | 10.1021/jm058018d | ||
| 2099 | 3024 | 81 | None | 19 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 278 | 5 | 0 | 7 | 0.2 | CC(=O)CCCCn1c(=O)c2n(C)cnc2n(c1=O)C | 10.1021/jm0104318 | ||
| 4740 | 3024 | 81 | None | 19 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 278 | 5 | 0 | 7 | 0.2 | CC(=O)CCCCn1c(=O)c2n(C)cnc2n(c1=O)C | 10.1021/jm0104318 | ||
| 7095 | 3024 | 81 | None | 19 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 278 | 5 | 0 | 7 | 0.2 | CC(=O)CCCCn1c(=O)c2n(C)cnc2n(c1=O)C | 10.1021/jm0104318 | ||
| CHEMBL628 | 3024 | 81 | None | 19 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 278 | 5 | 0 | 7 | 0.2 | CC(=O)CCCCn1c(=O)c2n(C)cnc2n(c1=O)C | 10.1021/jm0104318 | ||
| DB00806 | 3024 | 81 | None | 19 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 278 | 5 | 0 | 7 | 0.2 | CC(=O)CCCCn1c(=O)c2n(C)cnc2n(c1=O)C | 10.1021/jm0104318 | ||
| 10928649 | 58116 | 0 | None | -3 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 461 | 7 | 2 | 10 | 4.1 | CCCCn1cc2c(nc(NC(=O)Nc3ccc([N+](=O)[O-])cc3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm0109614 | ||
| CHEMBL167915 | 58116 | 0 | None | -3 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 461 | 7 | 2 | 10 | 4.1 | CCCCn1cc2c(nc(NC(=O)Nc3ccc([N+](=O)[O-])cc3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm0109614 | ||
| 155560449 | 175059 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 391 | 3 | 1 | 6 | 4.4 | CC1=C(C(=O)OC(C)C(F)(F)F)C(c2ccoc2)n2c(nc3ccccc32)N1 | 10.1021/acs.jmedchem.9b01340 | ||
| CHEMBL4568571 | 175059 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 391 | 3 | 1 | 6 | 4.4 | CC1=C(C(=O)OC(C)C(F)(F)F)C(c2ccoc2)n2c(nc3ccccc32)N1 | 10.1021/acs.jmedchem.9b01340 | ||
| 11613517 | 72699 | 0 | None | 1 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 536 | 10 | 2 | 7 | 4.9 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(C(C)=O)cc4)cc3)c(Cl)c2n(CCC)c1=O | 10.1021/jm0506221 | ||
| CHEMBL199834 | 72699 | 0 | None | 1 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 536 | 10 | 2 | 7 | 4.9 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(C(C)=O)cc4)cc3)c(Cl)c2n(CCC)c1=O | 10.1021/jm0506221 | ||
| 10421804 | 99718 | 0 | None | -5 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 241 | 1 | 2 | 3 | 1.2 | Cn1c(=O)[nH]c2cc(-c3ccccc3)[nH]c2c1=O | 10.1021/jm011049y | ||
| CHEMBL284991 | 99718 | 0 | None | -5 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 241 | 1 | 2 | 3 | 1.2 | Cn1c(=O)[nH]c2cc(-c3ccccc3)[nH]c2c1=O | 10.1021/jm011049y | ||
| 155533281 | 171808 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 304 | 3 | 2 | 4 | 2.0 | CCOC(=O)C1=C(C(F)(F)F)NC(=O)NC1c1ccoc1 | 10.1021/acs.jmedchem.9b01340 | ||
| CHEMBL4468661 | 171808 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 304 | 3 | 2 | 4 | 2.0 | CCOC(=O)C1=C(C(F)(F)F)NC(=O)NC1c1ccoc1 | 10.1021/acs.jmedchem.9b01340 | ||
| 168276821 | 190083 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 410 | 7 | 1 | 8 | 2.0 | CCCn1c(=O)c2[nH]c(-c3cccc(OS(=O)(=O)F)c3)nc2n(CCC)c1=O | 10.1039/d2md00132b | ||
| CHEMBL5172969 | 190083 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 410 | 7 | 1 | 8 | 2.0 | CCCn1c(=O)c2[nH]c(-c3cccc(OS(=O)(=O)F)c3)nc2n(CCC)c1=O | 10.1039/d2md00132b | ||
| 52949755 | 19206 | 0 | None | -1 | 2 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 468 | 6 | 2 | 5 | 3.2 | Cc1c(S(C)(=O)=O)c(=O)[nH]c2ccc(OCC(=O)NCc3ccc(Cl)c(Cl)c3)cc12 | 10.1016/j.bmcl.2010.10.030 | ||
| CHEMBL1290103 | 19206 | 0 | None | -1 | 2 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 468 | 6 | 2 | 5 | 3.2 | Cc1c(S(C)(=O)=O)c(=O)[nH]c2ccc(OCC(=O)NCc3ccc(Cl)c(Cl)c3)cc12 | 10.1016/j.bmcl.2010.10.030 | ||
| 21958676 | 63879 | 0 | None | 1 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 500 | 9 | 1 | 9 | 4.3 | CCCn1c(=O)c2nc(-c3ccc(OCc4nc(-c5ccc(C)cc5)no4)cc3)[nH]c2n(CCC)c1=O | 10.1016/j.bmcl.2004.11.044 | ||
| CHEMBL180559 | 63879 | 0 | None | 1 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 500 | 9 | 1 | 9 | 4.3 | CCCn1c(=O)c2nc(-c3ccc(OCc4nc(-c5ccc(C)cc5)no4)cc3)[nH]c2n(CCC)c1=O | 10.1016/j.bmcl.2004.11.044 | ||
| 135529372 | 110084 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 482 | 10 | 2 | 10 | 2.4 | CCCn1c(=O)c2nc(-c3cc(OCC(=O)Nc4ccc(OC)cc4)no3)[nH]c2n(CCC)c1=O | 10.1021/jm0309654 | ||
| CHEMBL32359 | 110084 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 482 | 10 | 2 | 10 | 2.4 | CCCn1c(=O)c2nc(-c3cc(OCC(=O)Nc4ccc(OC)cc4)no3)[nH]c2n(CCC)c1=O | 10.1021/jm0309654 | ||
| 10637742 | 58922 | 0 | None | -33 | 6 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 297 | 4 | 1 | 8 | 2.1 | CCCCn1cc2c(nc(N)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm001047y | ||
| CHEMBL16894 | 58922 | 0 | None | -33 | 6 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 297 | 4 | 1 | 8 | 2.1 | CCCCn1cc2c(nc(N)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm001047y | ||
| 10939224 | 57506 | 0 | None | -173 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 446 | 5 | 2 | 10 | 3.5 | CCCn1cc2c(nc(NC(=O)Nc3ccc4c(c3)OCO4)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm0109614 | ||
| CHEMBL166301 | 57506 | 0 | None | -173 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 446 | 5 | 2 | 10 | 3.5 | CCCn1cc2c(nc(NC(=O)Nc3ccc4c(c3)OCO4)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm0109614 | ||
| 9902563 | 188766 | 0 | None | -23 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 341 | 3 | 1 | 8 | 2.4 | Cc1csc(-c2nc(N)nc3c2nnn3Cc2ccccc2F)n1 | 10.1021/jm800961g | ||
| CHEMBL505787 | 188766 | 0 | None | -23 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 341 | 3 | 1 | 8 | 2.4 | Cc1csc(-c2nc(N)nc3c2nnn3Cc2ccccc2F)n1 | 10.1021/jm800961g | ||
| 3286 | 3187 | 31 | None | 4 | 9 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 350 | 4 | 3 | 6 | 0.7 | CCCn1c(=O)[nH]c2c(c1=O)nc([nH]2)c1ccc(cc1)S(=O)(=O)O | 10.1021/acs.jmedchem.0c01431 | ||
| 5311479 | 3187 | 31 | None | 4 | 9 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 350 | 4 | 3 | 6 | 0.7 | CCCn1c(=O)[nH]c2c(c1=O)nc([nH]2)c1ccc(cc1)S(=O)(=O)O | 10.1021/acs.jmedchem.0c01431 | ||
| CHEMBL8565 | 3187 | 31 | None | 4 | 9 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 350 | 4 | 3 | 6 | 0.7 | CCCn1c(=O)[nH]c2c(c1=O)nc([nH]2)c1ccc(cc1)S(=O)(=O)O | 10.1021/acs.jmedchem.0c01431 | ||
| 11416002 | 98460 | 2 | None | 40 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 322 | 2 | 3 | 6 | -0.1 | Cn1c(=O)[nH]c2[nH]c(-c3ccc(S(=O)(=O)O)cc3)nc2c1=O | 10.1021/jm0310030 | ||
| CHEMBL275987 | 98460 | 2 | None | 40 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 322 | 2 | 3 | 6 | -0.1 | Cn1c(=O)[nH]c2[nH]c(-c3ccc(S(=O)(=O)O)cc3)nc2c1=O | 10.1021/jm0310030 | ||
| 3286 | 3187 | 31 | None | 4 | 9 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 350 | 4 | 3 | 6 | 0.7 | CCCn1c(=O)[nH]c2c(c1=O)nc([nH]2)c1ccc(cc1)S(=O)(=O)O | 10.1021/jm900413e | ||
| 5311479 | 3187 | 31 | None | 4 | 9 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 350 | 4 | 3 | 6 | 0.7 | CCCn1c(=O)[nH]c2c(c1=O)nc([nH]2)c1ccc(cc1)S(=O)(=O)O | 10.1021/jm900413e | ||
| CHEMBL8565 | 3187 | 31 | None | 4 | 9 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 350 | 4 | 3 | 6 | 0.7 | CCCn1c(=O)[nH]c2c(c1=O)nc([nH]2)c1ccc(cc1)S(=O)(=O)O | 10.1021/jm900413e | ||
| 3286 | 3187 | 31 | None | 4 | 9 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 350 | 4 | 3 | 6 | 0.7 | CCCn1c(=O)[nH]c2c(c1=O)nc([nH]2)c1ccc(cc1)S(=O)(=O)O | 10.1021/acs.jmedchem.1c00261 | ||
| 5311479 | 3187 | 31 | None | 4 | 9 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 350 | 4 | 3 | 6 | 0.7 | CCCn1c(=O)[nH]c2c(c1=O)nc([nH]2)c1ccc(cc1)S(=O)(=O)O | 10.1021/acs.jmedchem.1c00261 | ||
| CHEMBL8565 | 3187 | 31 | None | 4 | 9 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 350 | 4 | 3 | 6 | 0.7 | CCCn1c(=O)[nH]c2c(c1=O)nc([nH]2)c1ccc(cc1)S(=O)(=O)O | 10.1021/acs.jmedchem.1c00261 | ||
| 3286 | 3187 | 31 | None | 4 | 9 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 350 | 4 | 3 | 6 | 0.7 | CCCn1c(=O)[nH]c2c(c1=O)nc([nH]2)c1ccc(cc1)S(=O)(=O)O | 10.1021/jm900413e | ||
| 5311479 | 3187 | 31 | None | 4 | 9 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 350 | 4 | 3 | 6 | 0.7 | CCCn1c(=O)[nH]c2c(c1=O)nc([nH]2)c1ccc(cc1)S(=O)(=O)O | 10.1021/jm900413e | ||
| CHEMBL8565 | 3187 | 31 | None | 4 | 9 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 350 | 4 | 3 | 6 | 0.7 | CCCn1c(=O)[nH]c2c(c1=O)nc([nH]2)c1ccc(cc1)S(=O)(=O)O | 10.1021/jm900413e | ||
| 3286 | 3187 | 31 | None | 4 | 9 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 350 | 4 | 3 | 6 | 0.7 | CCCn1c(=O)[nH]c2c(c1=O)nc([nH]2)c1ccc(cc1)S(=O)(=O)O | 10.1021/jm060277v | ||
| 5311479 | 3187 | 31 | None | 4 | 9 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 350 | 4 | 3 | 6 | 0.7 | CCCn1c(=O)[nH]c2c(c1=O)nc([nH]2)c1ccc(cc1)S(=O)(=O)O | 10.1021/jm060277v | ||
| CHEMBL8565 | 3187 | 31 | None | 4 | 9 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 350 | 4 | 3 | 6 | 0.7 | CCCn1c(=O)[nH]c2c(c1=O)nc([nH]2)c1ccc(cc1)S(=O)(=O)O | 10.1021/jm060277v | ||
| 3286 | 3187 | 31 | None | 4 | 9 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 350 | 4 | 3 | 6 | 0.7 | CCCn1c(=O)[nH]c2c(c1=O)nc([nH]2)c1ccc(cc1)S(=O)(=O)O | 10.1021/acs.jmedchem.5b01586 | ||
| 5311479 | 3187 | 31 | None | 4 | 9 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 350 | 4 | 3 | 6 | 0.7 | CCCn1c(=O)[nH]c2c(c1=O)nc([nH]2)c1ccc(cc1)S(=O)(=O)O | 10.1021/acs.jmedchem.5b01586 | ||
| CHEMBL8565 | 3187 | 31 | None | 4 | 9 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 350 | 4 | 3 | 6 | 0.7 | CCCn1c(=O)[nH]c2c(c1=O)nc([nH]2)c1ccc(cc1)S(=O)(=O)O | 10.1021/acs.jmedchem.5b01586 | ||
| 3286 | 3187 | 31 | None | 4 | 9 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 350 | 4 | 3 | 6 | 0.7 | CCCn1c(=O)[nH]c2c(c1=O)nc([nH]2)c1ccc(cc1)S(=O)(=O)O | 10.1021/acs.jmedchem.7b00138 | ||
| 5311479 | 3187 | 31 | None | 4 | 9 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 350 | 4 | 3 | 6 | 0.7 | CCCn1c(=O)[nH]c2c(c1=O)nc([nH]2)c1ccc(cc1)S(=O)(=O)O | 10.1021/acs.jmedchem.7b00138 | ||
| CHEMBL8565 | 3187 | 31 | None | 4 | 9 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 350 | 4 | 3 | 6 | 0.7 | CCCn1c(=O)[nH]c2c(c1=O)nc([nH]2)c1ccc(cc1)S(=O)(=O)O | 10.1021/acs.jmedchem.7b00138 | ||
| 3286 | 3187 | 31 | None | 4 | 9 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 350 | 4 | 3 | 6 | 0.7 | CCCn1c(=O)[nH]c2c(c1=O)nc([nH]2)c1ccc(cc1)S(=O)(=O)O | 10.1021/acs.jmedchem.9b00071 | ||
| 5311479 | 3187 | 31 | None | 4 | 9 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 350 | 4 | 3 | 6 | 0.7 | CCCn1c(=O)[nH]c2c(c1=O)nc([nH]2)c1ccc(cc1)S(=O)(=O)O | 10.1021/acs.jmedchem.9b00071 | ||
| CHEMBL8565 | 3187 | 31 | None | 4 | 9 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 350 | 4 | 3 | 6 | 0.7 | CCCn1c(=O)[nH]c2c(c1=O)nc([nH]2)c1ccc(cc1)S(=O)(=O)O | 10.1021/acs.jmedchem.9b00071 | ||
| 3286 | 3187 | 31 | None | 4 | 9 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 350 | 4 | 3 | 6 | 0.7 | CCCn1c(=O)[nH]c2c(c1=O)nc([nH]2)c1ccc(cc1)S(=O)(=O)O | 10.1021/jm011049y | ||
| 5311479 | 3187 | 31 | None | 4 | 9 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 350 | 4 | 3 | 6 | 0.7 | CCCn1c(=O)[nH]c2c(c1=O)nc([nH]2)c1ccc(cc1)S(=O)(=O)O | 10.1021/jm011049y | ||
| CHEMBL8565 | 3187 | 31 | None | 4 | 9 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 350 | 4 | 3 | 6 | 0.7 | CCCn1c(=O)[nH]c2c(c1=O)nc([nH]2)c1ccc(cc1)S(=O)(=O)O | 10.1021/jm011049y | ||
| 44451171 | 96019 | 0 | None | 28 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 487 | 6 | 1 | 7 | 2.0 | Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(Cc5ccccc5)CC4)cc3)cc2n(C)c1=O | 10.1016/j.bmc.2008.01.002 | ||
| CHEMBL259913 | 96019 | 0 | None | 28 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 487 | 6 | 1 | 7 | 2.0 | Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(Cc5ccccc5)CC4)cc3)cc2n(C)c1=O | 10.1016/j.bmc.2008.01.002 | ||
| 11640619 | 138360 | 0 | None | -9 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 433 | 9 | 2 | 6 | 2.3 | CCCN(CCC)S(=O)(=O)c1ccc(-c2nc3c(=O)n(CCC)c(=O)[nH]c3[nH]2)cc1 | 10.1021/jm060277v | ||
| CHEMBL377246 | 138360 | 0 | None | -9 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 433 | 9 | 2 | 6 | 2.3 | CCCN(CCC)S(=O)(=O)c1ccc(-c2nc3c(=O)n(CCC)c(=O)[nH]c3[nH]2)cc1 | 10.1021/jm060277v | ||
| 1882 | 90623 | 66 | None | -3 | 5 | Rat | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 242 | 2 | 0 | 6 | -0.3 | Cn1c(=O)c2c(ncn2CCCl)n(C)c1=O | 10.1021/jm0104318 | ||
| CHEMBL23903 | 90623 | 66 | None | -3 | 5 | Rat | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 242 | 2 | 0 | 6 | -0.3 | Cn1c(=O)c2c(ncn2CCCl)n(C)c1=O | 10.1021/jm0104318 | ||
| 11798195 | 121666 | 0 | None | 1 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 460 | 7 | 2 | 9 | 4.4 | COc1ccc(NC(=O)Nc2nc3nn(CCC(C)C)cc3c3nc(-c4ccco4)nn23)cc1 | 10.1021/jm001047y | ||
| CHEMBL358735 | 121666 | 0 | None | 1 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 460 | 7 | 2 | 9 | 4.4 | COc1ccc(NC(=O)Nc2nc3nn(CCC(C)C)cc3c3nc(-c4ccco4)nn23)cc1 | 10.1021/jm001047y | ||
| 44588395 | 189760 | 0 | None | -1 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 327 | 5 | 2 | 5 | 2.7 | CCCn1c(=O)c2[nH]c(-c3ccccc3)c(O)c2n(CCC)c1=O | 10.1016/j.bmc.2008.09.067 | ||
| CHEMBL516154 | 189760 | 0 | None | -1 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 327 | 5 | 2 | 5 | 2.7 | CCCn1c(=O)c2[nH]c(-c3ccccc3)c(O)c2n(CCC)c1=O | 10.1016/j.bmc.2008.09.067 | ||
| 21958758 | 72855 | 0 | None | 48 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 474 | 8 | 1 | 10 | 3.0 | CCCn1c(=O)c2nc(-c3cnn(Cc4nc(-c5ccc(C)cc5)no4)c3)[nH]c2n(CCC)c1=O | 10.1016/j.bmcl.2005.10.002 | ||
| CHEMBL200349 | 72855 | 0 | None | 48 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 474 | 8 | 1 | 10 | 3.0 | CCCn1c(=O)c2nc(-c3cnn(Cc4nc(-c5ccc(C)cc5)no4)c3)[nH]c2n(CCC)c1=O | 10.1016/j.bmcl.2005.10.002 | ||
| 11517635 | 74919 | 0 | None | 18 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 432 | 6 | 1 | 6 | 2.3 | CN(Cc1ccccc1)C(=O)COc1ccc(-c2cc3c([nH]2)c(=O)n(C)c(=O)n3C)cc1 | 10.1021/jm0506221 | ||
| CHEMBL203196 | 74919 | 0 | None | 18 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 432 | 6 | 1 | 6 | 2.3 | CN(Cc1ccccc1)C(=O)COc1ccc(-c2cc3c([nH]2)c(=O)n(C)c(=O)n3C)cc1 | 10.1021/jm0506221 | ||
| 71681055 | 90178 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 330 | 5 | 1 | 5 | 3.7 | O=C(CCCc1ccccc1)Nc1nc2ccsc2c(=O)s1 | 10.1021/jm400336x | ||
| CHEMBL2382424 | 90178 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 330 | 5 | 1 | 5 | 3.7 | O=C(CCCc1ccccc1)Nc1nc2ccsc2c(=O)s1 | 10.1021/jm400336x | ||
| 46227980 | 201867 | 0 | None | 2 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 368 | 6 | 1 | 7 | 2.4 | C=CCn1c(=O)c2[nH]c(Cc3cccs3)nc2n(Cc2ccco2)c1=O | 10.1016/j.bmc.2009.07.034 | ||
| CHEMBL607371 | 201867 | 0 | None | 2 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 368 | 6 | 1 | 7 | 2.4 | C=CCn1c(=O)c2[nH]c(Cc3cccs3)nc2n(Cc2ccco2)c1=O | 10.1016/j.bmc.2009.07.034 | ||
| 135522391 | 117068 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 552 | 9 | 1 | 10 | 2.0 | CCCn1c(=O)c2nc(-c3cc(OCC(=O)N4CCN(c5ccc(F)cc5)CC4)nn3C)[nH]c2n(CCC)c1=O | 10.1021/jm0309654 | ||
| CHEMBL33930 | 117068 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 552 | 9 | 1 | 10 | 2.0 | CCCn1c(=O)c2nc(-c3cc(OCC(=O)N4CCN(c5ccc(F)cc5)CC4)nn3C)[nH]c2n(CCC)c1=O | 10.1021/jm0309654 | ||
| 135915277 | 157327 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 451 | 7 | 1 | 8 | 2.9 | CCCn1c(=O)c2[nH]c(-c3cc(OCC#Cc4cccc(F)c4)no3)nc2n(CCC)c1=O | 10.1016/j.ejmech.2017.04.014 | ||
| CHEMBL4077765 | 157327 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 451 | 7 | 1 | 8 | 2.9 | CCCn1c(=O)c2[nH]c(-c3cc(OCC#Cc4cccc(F)c4)no3)nc2n(CCC)c1=O | 10.1016/j.ejmech.2017.04.014 | ||
| 44406639 | 72563 | 0 | None | 23 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 528 | 8 | 1 | 10 | 3.7 | CCCn1c(=O)c2nc(-c3cnn(Cc4nc(-c5ccc(C(F)(F)F)cc5)no4)c3)[nH]c2n(CCC)c1=O | 10.1016/j.bmcl.2005.10.002 | ||
| CHEMBL199309 | 72563 | 0 | None | 23 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 528 | 8 | 1 | 10 | 3.7 | CCCn1c(=O)c2nc(-c3cnn(Cc4nc(-c5ccc(C(F)(F)F)cc5)no4)c3)[nH]c2n(CCC)c1=O | 10.1016/j.bmcl.2005.10.002 | ||
| 135805568 | 139103 | 2 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 288 | 3 | 1 | 7 | 2.1 | CC1=C(C(=O)OC(C)C)C(c2ccco2)n2ncnc2N1 | 10.1021/acs.jmedchem.5b01586 | ||
| CHEMBL3786944 | 139103 | 2 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 288 | 3 | 1 | 7 | 2.1 | CC1=C(C(=O)OC(C)C)C(c2ccco2)n2ncnc2N1 | 10.1021/acs.jmedchem.5b01586 | ||
| 11153 | 1995 | 46 | None | -35 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 315 | 2 | 1 | 5 | 3.3 | Nc1nnc(c(n1)c1ccc(cc1)F)c1cc(C)nc(c1)Cl | 10.1021/acs.jmedchem.2c00101 | ||
| 86676119 | 1995 | 46 | None | -35 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 315 | 2 | 1 | 5 | 3.3 | Nc1nnc(c(n1)c1ccc(cc1)F)c1cc(C)nc(c1)Cl | 10.1021/acs.jmedchem.2c00101 | ||
| CHEMBL4594442 | 1995 | 46 | None | -35 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 315 | 2 | 1 | 5 | 3.3 | Nc1nnc(c(n1)c1ccc(cc1)F)c1cc(C)nc(c1)Cl | 10.1021/acs.jmedchem.2c00101 | ||
| DB16192 | 1995 | 46 | None | -35 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 315 | 2 | 1 | 5 | 3.3 | Nc1nnc(c(n1)c1ccc(cc1)F)c1cc(C)nc(c1)Cl | 10.1021/acs.jmedchem.2c00101 | ||
| 10219753 | 203650 | 2 | None | 5 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 190 | 1 | 2 | 4 | -1.0 | C#CCn1c(=O)[nH]c2[nH]cnc2c1=O | 10.1021/jm0104318 | ||
| CHEMBL67415 | 203650 | 2 | None | 5 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 190 | 1 | 2 | 4 | -1.0 | C#CCn1c(=O)[nH]c2[nH]cnc2c1=O | 10.1021/jm0104318 | ||
| 13525048 | 98151 | 0 | None | 2 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 300 | 2 | 2 | 6 | 0.3 | Cn1c(=O)c2nc(-c3cccc(C(=O)O)c3)[nH]c2n(C)c1=O | 10.1021/jm0104318 | ||
| CHEMBL273953 | 98151 | 0 | None | 2 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 300 | 2 | 2 | 6 | 0.3 | Cn1c(=O)c2nc(-c3cccc(C(=O)O)c3)[nH]c2n(C)c1=O | 10.1021/jm0104318 | ||
| 10869347 | 203621 | 0 | None | -8 | 4 | Rat | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 270 | 3 | 1 | 5 | 0.7 | Cn1c(=O)n(CCc2ccccc2)c(=O)c2[nH]cnc21 | 10.1021/jm0104318 | ||
| CHEMBL67228 | 203621 | 0 | None | -8 | 4 | Rat | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 270 | 3 | 1 | 5 | 0.7 | Cn1c(=O)n(CCc2ccccc2)c(=O)c2[nH]cnc21 | 10.1021/jm0104318 | ||
| 44410403 | 75980 | 0 | None | -2884 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 458 | 5 | 5 | 10 | 0.1 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC)nc(C#CC4(O)CCCCC4)nc32)[C@H](O)[C@@H]1O | 10.1016/j.bmcl.2006.01.110 | ||
| CHEMBL205531 | 75980 | 0 | None | -2884 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 458 | 5 | 5 | 10 | 0.1 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC)nc(C#CC4(O)CCCCC4)nc32)[C@H](O)[C@@H]1O | 10.1016/j.bmcl.2006.01.110 | ||
| 44390583 | 64259 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 516 | 10 | 1 | 10 | 4.0 | CCCn1c(=O)c2nc(-c3ccc(OCc4nc(-c5ccccc5OC)no4)cc3)[nH]c2n(CCC)c1=O | 10.1016/j.bmcl.2004.11.044 | ||
| CHEMBL181005 | 64259 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 516 | 10 | 1 | 10 | 4.0 | CCCn1c(=O)c2nc(-c3ccc(OCc4nc(-c5ccccc5OC)no4)cc3)[nH]c2n(CCC)c1=O | 10.1016/j.bmcl.2004.11.044 | ||
| 135529391 | 480 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 555 | 10 | 2 | 10 | 1.5 | CCCn1c2=N/C(=c\3/cc([nH]n3C)NC(=O)Cc3ccc(cc3)OCc3ccccc3)/N=c2c(=O)n(c1=O)CCC | 10.1021/jm0309654 | ||
| 438 | 480 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 555 | 10 | 2 | 10 | 1.5 | CCCn1c2=N/C(=c\3/cc([nH]n3C)NC(=O)Cc3ccc(cc3)OCc3ccccc3)/N=c2c(=O)n(c1=O)CCC | 10.1021/jm0309654 | ||
| CHEMBL285900 | 480 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 555 | 10 | 2 | 10 | 1.5 | CCCn1c2=N/C(=c\3/cc([nH]n3C)NC(=O)Cc3ccc(cc3)OCc3ccccc3)/N=c2c(=O)n(c1=O)CCC | 10.1021/jm0309654 | ||
| 135529391 | 480 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 555 | 10 | 2 | 10 | 1.5 | CCCn1c2=N/C(=c\3/cc([nH]n3C)NC(=O)Cc3ccc(cc3)OCc3ccccc3)/N=c2c(=O)n(c1=O)CCC | 10.1021/jm0309654 | ||
| 438 | 480 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 555 | 10 | 2 | 10 | 1.5 | CCCn1c2=N/C(=c\3/cc([nH]n3C)NC(=O)Cc3ccc(cc3)OCc3ccccc3)/N=c2c(=O)n(c1=O)CCC | 10.1021/jm0309654 | ||
| CHEMBL285900 | 480 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 555 | 10 | 2 | 10 | 1.5 | CCCn1c2=N/C(=c\3/cc([nH]n3C)NC(=O)Cc3ccc(cc3)OCc3ccccc3)/N=c2c(=O)n(c1=O)CCC | 10.1021/jm0309654 | ||
| 16071780 | 57992 | 0 | None | 15 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 307 | 4 | 1 | 6 | 2.5 | O=C(Nc1cnc(-c2ccncc2)c(-c2ncco2)n1)C1CC1 | 10.1021/ml100249e | ||
| CHEMBL1672624 | 57992 | 0 | None | 15 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 307 | 4 | 1 | 6 | 2.5 | O=C(Nc1cnc(-c2ccncc2)c(-c2ncco2)n1)C1CC1 | 10.1021/ml100249e | ||
| 135874431 | 96227 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 463 | 8 | 2 | 8 | 2.8 | CCCn1c(=O)c2[nH]c(-c3cc(C)n(CC(=O)Nc4ccc(C)cc4)n3)nc2n(CCC)c1=O | 10.1016/j.bmc.2007.11.058 | ||
| CHEMBL261028 | 96227 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 463 | 8 | 2 | 8 | 2.8 | CCCn1c(=O)c2[nH]c(-c3cc(C)n(CC(=O)Nc4ccc(C)cc4)n3)nc2n(CCC)c1=O | 10.1016/j.bmc.2007.11.058 | ||
| 1329 | 1460 | 86 | None | -1288 | 14 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 304 | 5 | 1 | 5 | 2.4 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C1CCCC1 | 10.1021/jm051268+ | ||
| 386 | 1460 | 86 | None | -1288 | 14 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 304 | 5 | 1 | 5 | 2.4 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C1CCCC1 | 10.1021/jm051268+ | ||
| CHEMBL183 | 1460 | 86 | None | -1288 | 14 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 304 | 5 | 1 | 5 | 2.4 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C1CCCC1 | 10.1021/jm051268+ | ||
| DB12946 | 1460 | 86 | None | -1288 | 14 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 304 | 5 | 1 | 5 | 2.4 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C1CCCC1 | 10.1021/jm051268+ | ||
| 11519405 | 72725 | 0 | None | 1 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 532 | 11 | 2 | 8 | 4.2 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(C(=O)OCC)cc4)cc3)cc2n(CCC)c1=O | 10.1021/jm0506221 | ||
| CHEMBL199898 | 72725 | 0 | None | 1 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 532 | 11 | 2 | 8 | 4.2 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(C(=O)OCC)cc4)cc3)cc2n(CCC)c1=O | 10.1021/jm0506221 | ||
| 18079460 | 103821 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 280 | 3 | 2 | 4 | 2.3 | CC1=C(C(=O)OC(C)C)C(c2ccsc2)NC(=O)N1 | 10.1021/acs.jmedchem.0c01431 | ||
| CHEMBL3091704 | 103821 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 280 | 3 | 2 | 4 | 2.3 | CC1=C(C(=O)OC(C)C)C(c2ccsc2)NC(=O)N1 | 10.1021/acs.jmedchem.0c01431 | ||
| 18079460 | 103821 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 280 | 3 | 2 | 4 | 2.3 | CC1=C(C(=O)OC(C)C)C(c2ccsc2)NC(=O)N1 | 10.1021/ml400185v | ||
| CHEMBL3091704 | 103821 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 280 | 3 | 2 | 4 | 2.3 | CC1=C(C(=O)OC(C)C)C(c2ccsc2)NC(=O)N1 | 10.1021/ml400185v | ||
| 18079460 | 103821 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 280 | 3 | 2 | 4 | 2.3 | CC1=C(C(=O)OC(C)C)C(c2ccsc2)NC(=O)N1 | 10.1021/acs.jmedchem.5b01586 | ||
| CHEMBL3091704 | 103821 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 280 | 3 | 2 | 4 | 2.3 | CC1=C(C(=O)OC(C)C)C(c2ccsc2)NC(=O)N1 | 10.1021/acs.jmedchem.5b01586 | ||
| 18079460 | 103821 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 280 | 3 | 2 | 4 | 2.3 | CC1=C(C(=O)OC(C)C)C(c2ccsc2)NC(=O)N1 | 10.1021/acs.jmedchem.7b00138 | ||
| CHEMBL3091704 | 103821 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 280 | 3 | 2 | 4 | 2.3 | CC1=C(C(=O)OC(C)C)C(c2ccsc2)NC(=O)N1 | 10.1021/acs.jmedchem.7b00138 | ||
| 18079460 | 103821 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 280 | 3 | 2 | 4 | 2.3 | CC1=C(C(=O)OC(C)C)C(c2ccsc2)NC(=O)N1 | 10.1021/acs.jmedchem.9b01340 | ||
| CHEMBL3091704 | 103821 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 280 | 3 | 2 | 4 | 2.3 | CC1=C(C(=O)OC(C)C)C(c2ccsc2)NC(=O)N1 | 10.1021/acs.jmedchem.9b01340 | ||
| 162675859 | 183298 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 290 | 4 | 2 | 4 | 2.3 | CC1=C(C(=O)OCC2CCC2)C(c2ccco2)NC(=O)N1 | 10.1021/acs.jmedchem.0c01431 | ||
| CHEMBL4797364 | 183298 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 290 | 4 | 2 | 4 | 2.3 | CC1=C(C(=O)OCC2CCC2)C(c2ccco2)NC(=O)N1 | 10.1021/acs.jmedchem.0c01431 | ||
| 168276821 | 190083 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 410 | 7 | 1 | 8 | 2.0 | CCCn1c(=O)c2[nH]c(-c3cccc(OS(=O)(=O)F)c3)nc2n(CCC)c1=O | 10.1039/d2md00132b | ||
| CHEMBL5172969 | 190083 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 410 | 7 | 1 | 8 | 2.0 | CCCn1c(=O)c2[nH]c(-c3cccc(OS(=O)(=O)F)c3)nc2n(CCC)c1=O | 10.1039/d2md00132b | ||
| 76011 | 203634 | 8 | None | 2 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 256 | 3 | 0 | 6 | 0.1 | Cn1c(=O)c2c(ncn2CCCCl)n(C)c1=O | 10.1021/jm0104318 | ||
| CHEMBL67323 | 203634 | 8 | None | 2 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 256 | 3 | 0 | 6 | 0.1 | Cn1c(=O)c2c(ncn2CCCCl)n(C)c1=O | 10.1021/jm0104318 | ||
| 135443324 | 111413 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 393 | 4 | 2 | 8 | 0.5 | Cn1nc(NC(=O)Cc2ccccc2)cc1-c1nc2c(=O)n(C)c(=O)n(C)c2[nH]1 | 10.1021/jm0309654 | ||
| CHEMBL32750 | 111413 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 393 | 4 | 2 | 8 | 0.5 | Cn1nc(NC(=O)Cc2ccccc2)cc1-c1nc2c(=O)n(C)c(=O)n(C)c2[nH]1 | 10.1021/jm0309654 | ||
| 9910926 | 29300 | 0 | None | -11 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 436 | 5 | 2 | 8 | 4.4 | CCCn1cc2c(nc(NC(=O)Nc3cccc(Cl)c3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm001047y | ||
| CHEMBL138332 | 29300 | 0 | None | -11 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 436 | 5 | 2 | 8 | 4.4 | CCCn1cc2c(nc(NC(=O)Nc3cccc(Cl)c3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm001047y | ||
| 9910926 | 29300 | 0 | None | -11 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 436 | 5 | 2 | 8 | 4.4 | CCCn1cc2c(nc(NC(=O)Nc3cccc(Cl)c3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm0109614 | ||
| CHEMBL138332 | 29300 | 0 | None | -11 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 436 | 5 | 2 | 8 | 4.4 | CCCn1cc2c(nc(NC(=O)Nc3cccc(Cl)c3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm0109614 | ||
| 9869262 | 104834 | 0 | None | -9 | 3 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 468 | 11 | 4 | 6 | 4.8 | Oc1ccc(C[C@H]2CCCN2CCCCCCN2CCC[C@@H]2Cc2ccc(O)c(O)c2)cc1O | 10.1016/0960-894X(95)00413-N | ||
| CHEMBL310997 | 104834 | 0 | None | -9 | 3 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 468 | 11 | 4 | 6 | 4.8 | Oc1ccc(C[C@H]2CCCN2CCCCCCN2CCC[C@@H]2Cc2ccc(O)c(O)c2)cc1O | 10.1016/0960-894X(95)00413-N | ||
| 44451169 | 96018 | 0 | None | 25 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 503 | 6 | 1 | 8 | 2.0 | COc1cc(-c2cc3c([nH]2)c(=O)n(C)c(=O)n3C)ccc1OCC(=O)N1CCN(c2ccccc2)CC1 | 10.1016/j.bmc.2008.01.002 | ||
| CHEMBL259912 | 96018 | 0 | None | 25 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 503 | 6 | 1 | 8 | 2.0 | COc1cc(-c2cc3c([nH]2)c(=O)n(C)c(=O)n3C)ccc1OCC(=O)N1CCN(c2ccccc2)CC1 | 10.1016/j.bmc.2008.01.002 | ||
| 377 | 2738 | 53 | None | -1479 | 15 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/jm900413e | ||
| 425 | 2738 | 53 | None | -1479 | 15 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/jm900413e | ||
| 448222 | 2738 | 53 | None | -1479 | 15 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/jm900413e | ||
| CHEMBL464859 | 2738 | 53 | None | -1479 | 15 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/jm900413e | ||
| 155531946 | 171721 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 320 | 3 | 2 | 4 | 2.5 | CCOC(=O)C1=C(C(F)(F)F)NC(=O)NC1c1ccsc1 | 10.1021/acs.jmedchem.9b01340 | ||
| CHEMBL4467283 | 171721 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 320 | 3 | 2 | 4 | 2.5 | CCOC(=O)C1=C(C(F)(F)F)NC(=O)NC1c1ccsc1 | 10.1021/acs.jmedchem.9b01340 | ||
| 162643792 | 181732 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 290 | 3 | 2 | 4 | 2.4 | CC1=C(C(=O)OC2CCCC2)C(c2ccco2)NC(=O)N1 | 10.1021/acs.jmedchem.0c01431 | ||
| CHEMBL4777520 | 181732 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 290 | 3 | 2 | 4 | 2.4 | CC1=C(C(=O)OC2CCCC2)C(c2ccco2)NC(=O)N1 | 10.1021/acs.jmedchem.0c01431 | ||
| 145989810 | 167169 | 0 | None | -1 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 586 | 14 | 1 | 9 | 4.1 | CCCCn1c(=O)c2c(nc3n2CCCN3CCc2ccc(OCC(=O)NCc3ccccc3)cc2)n(CCCC)c1=O | 10.1039/C8MD00070K | ||
| CHEMBL4291422 | 167169 | 0 | None | -1 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 586 | 14 | 1 | 9 | 4.1 | CCCCn1c(=O)c2c(nc3n2CCCN3CCc2ccc(OCC(=O)NCc3ccccc3)cc2)n(CCCC)c1=O | 10.1039/C8MD00070K | ||
| 137637685 | 155773 | 0 | None | -1 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 408 | 7 | 1 | 6 | 4.4 | COc1cccc(-c2cc(NC(C)=O)nc(-c3cccc(OC)c3OC)c2)c1OC | 10.1021/acs.jmedchem.7b00860 | ||
| CHEMBL4059638 | 155773 | 0 | None | -1 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 408 | 7 | 1 | 6 | 4.4 | COc1cccc(-c2cc(NC(C)=O)nc(-c3cccc(OC)c3OC)c2)c1OC | 10.1021/acs.jmedchem.7b00860 | ||
| 44281738 | 110618 | 0 | None | 20 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 476 | 8 | 3 | 7 | 4.0 | CCCn1c(=O)c2nc(-c3ccc(NC(=O)Nc4cccc(OC)c4)cc3)[nH]c2n(CCC)c1=O | 10.1021/jm0309654 | ||
| CHEMBL32581 | 110618 | 0 | None | 20 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 476 | 8 | 3 | 7 | 4.0 | CCCn1c(=O)c2nc(-c3ccc(NC(=O)Nc4cccc(OC)c4)cc3)[nH]c2n(CCC)c1=O | 10.1021/jm0309654 | ||
| 135493238 | 116646 | 0 | None | 2 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 331 | 5 | 2 | 8 | 0.7 | CCCn1c(=O)c2nc(-c3cc(N)n(C)n3)[nH]c2n(CCC)c1=O | 10.1021/jm0309654 | ||
| CHEMBL33709 | 116646 | 0 | None | 2 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 331 | 5 | 2 | 8 | 0.7 | CCCn1c(=O)c2nc(-c3cc(N)n(C)n3)[nH]c2n(CCC)c1=O | 10.1021/jm0309654 | ||
| 9868763 | 34528 | 0 | None | 5 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 458 | 6 | 2 | 9 | 4.4 | COc1ccc(NC(=O)Nc2nc3nn(CC=C(C)C)cc3c3nc(-c4ccco4)nn23)cc1 | 10.1021/jm001047y | ||
| CHEMBL142926 | 34528 | 0 | None | 5 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 458 | 6 | 2 | 9 | 4.4 | COc1ccc(NC(=O)Nc2nc3nn(CC=C(C)C)cc3c3nc(-c4ccco4)nn23)cc1 | 10.1021/jm001047y | ||
| 11503200 | 78066 | 0 | None | 9 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 444 | 7 | 1 | 7 | 3.4 | CCCn1c(=O)c2nc(-c3cnn(Cc4cccc(Cl)c4F)c3)[nH]c2n(CCC)c1=O | 10.1021/jm051268+ | ||
| CHEMBL210213 | 78066 | 0 | None | 9 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 444 | 7 | 1 | 7 | 3.4 | CCCn1c(=O)c2nc(-c3cnn(Cc4cccc(Cl)c4F)c3)[nH]c2n(CCC)c1=O | 10.1021/jm051268+ | ||
| CHEMBL5084903 | 214915 | 0 | None | -12 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | None | None | None | Nc1nc(-c2ccccc2)c2c(n1)-c1cc(OCCCN3CCCCC3)ccc1C2 | 10.1021/acs.jmedchem.0c00914 | ||||
| 44451129 | 96116 | 0 | None | 12 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 474 | 5 | 1 | 8 | 1.4 | Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(c5ccccn5)CC4)cc3)cc2n(C)c1=O | 10.1016/j.bmc.2008.01.002 | ||
| CHEMBL260495 | 96116 | 0 | None | 12 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 474 | 5 | 1 | 8 | 1.4 | Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(c5ccccn5)CC4)cc3)cc2n(C)c1=O | 10.1016/j.bmc.2008.01.002 | ||
| CHEMBL5076643 | 214433 | 0 | None | -2 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | None | None | None | Cn1cc(-c2cnc(N)nc2-c2ccco2)ccc1=O | 10.1021/acsmedchemlett.1c00599 | ||||
| 135428645 | 172679 | 0 | None | -204 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 371 | 4 | 2 | 4 | 2.9 | CCCN1C(=O)N2C[C@@H](CC)N=C2c2[nH]c(C34CCC(O)(CC3)CC4)nc21 | 10.1021/jm060539t | ||
| CHEMBL450341 | 172679 | 0 | None | -204 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 371 | 4 | 2 | 4 | 2.9 | CCCN1C(=O)N2C[C@@H](CC)N=C2c2[nH]c(C34CCC(O)(CC3)CC4)nc21 | 10.1021/jm060539t | ||
| 25027417 | 64450 | 0 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 311 | 3 | 2 | 5 | 2.8 | COc1ccc(NC(=O)c2coc3ccccc3c2=O)cc1O | 10.1016/j.ejmech.2012.05.033 | ||
| CHEMBL1814065 | 64450 | 0 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 311 | 3 | 2 | 5 | 2.8 | COc1ccc(NC(=O)c2coc3ccccc3c2=O)cc1O | 10.1016/j.ejmech.2012.05.033 | ||
| 21958720 | 63458 | 0 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 520 | 9 | 1 | 9 | 4.7 | CCCn1c(=O)c2nc(-c3ccc(OCc4noc(-c5ccccc5Cl)n4)cc3)[nH]c2n(CCC)c1=O | 10.1016/j.bmcl.2004.11.044 | ||
| CHEMBL179935 | 63458 | 0 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 520 | 9 | 1 | 9 | 4.7 | CCCn1c(=O)c2nc(-c3ccc(OCc4noc(-c5ccccc5Cl)n4)cc3)[nH]c2n(CCC)c1=O | 10.1016/j.bmcl.2004.11.044 | ||
| 613506 | 54055 | 17 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 250 | 3 | 2 | 4 | 1.5 | CCOC(=O)C1=C(C)NC(=O)NC1c1ccco1 | 10.1021/acs.jmedchem.0c01431 | ||
| CHEMBL1606497 | 54055 | 17 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 250 | 3 | 2 | 4 | 1.5 | CCOC(=O)C1=C(C)NC(=O)NC1c1ccco1 | 10.1021/acs.jmedchem.0c01431 | ||
| 613506 | 54055 | 17 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 250 | 3 | 2 | 4 | 1.5 | CCOC(=O)C1=C(C)NC(=O)NC1c1ccco1 | 10.1021/acs.jmedchem.9b01340 | ||
| CHEMBL1606497 | 54055 | 17 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 250 | 3 | 2 | 4 | 1.5 | CCOC(=O)C1=C(C)NC(=O)NC1c1ccco1 | 10.1021/acs.jmedchem.9b01340 | ||
| 613506 | 54055 | 17 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 250 | 3 | 2 | 4 | 1.5 | CCOC(=O)C1=C(C)NC(=O)NC1c1ccco1 | 10.1021/acs.jmedchem.5b01586 | ||
| CHEMBL1606497 | 54055 | 17 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 250 | 3 | 2 | 4 | 1.5 | CCOC(=O)C1=C(C)NC(=O)NC1c1ccco1 | 10.1021/acs.jmedchem.5b01586 | ||
| 613506 | 54055 | 17 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 250 | 3 | 2 | 4 | 1.5 | CCOC(=O)C1=C(C)NC(=O)NC1c1ccco1 | 10.1021/acs.jmedchem.7b00138 | ||
| CHEMBL1606497 | 54055 | 17 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 250 | 3 | 2 | 4 | 1.5 | CCOC(=O)C1=C(C)NC(=O)NC1c1ccco1 | 10.1021/acs.jmedchem.7b00138 | ||
| 613506 | 54055 | 17 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 250 | 3 | 2 | 4 | 1.5 | CCOC(=O)C1=C(C)NC(=O)NC1c1ccco1 | 10.1021/ml400185v | ||
| CHEMBL1606497 | 54055 | 17 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 250 | 3 | 2 | 4 | 1.5 | CCOC(=O)C1=C(C)NC(=O)NC1c1ccco1 | 10.1021/ml400185v | ||
| 11380878 | 197731 | 0 | None | -630 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 295 | 4 | 2 | 6 | 1.6 | Nc1nc(C(=O)NCc2cccnc2)cc(-c2ccco2)n1 | 10.1016/j.bmcl.2009.03.142 | ||
| CHEMBL571672 | 197731 | 0 | None | -630 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 295 | 4 | 2 | 6 | 1.6 | Nc1nc(C(=O)NCc2cccnc2)cc(-c2ccco2)n1 | 10.1016/j.bmcl.2009.03.142 | ||
| 155513258 | 169701 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 304 | 3 | 2 | 4 | 2.0 | CC1=C(C(=O)OCC(F)(F)F)C(c2ccoc2)NC(=O)N1 | 10.1021/acs.jmedchem.9b01340 | ||
| CHEMBL4438396 | 169701 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 304 | 3 | 2 | 4 | 2.0 | CC1=C(C(=O)OCC(F)(F)F)C(c2ccoc2)NC(=O)N1 | 10.1021/acs.jmedchem.9b01340 | ||
| 46233380 | 200658 | 0 | None | -3 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 374 | 7 | 1 | 6 | 1.7 | CCCn1c(=O)c2[nH]c(-c3ccccc3)nc2n(CC[S+]([O-])CC)c1=O | 10.1016/j.bmc.2010.01.028 | ||
| CHEMBL599817 | 200658 | 0 | None | -3 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 374 | 7 | 1 | 6 | 1.7 | CCCn1c(=O)c2[nH]c(-c3ccccc3)nc2n(CC[S+]([O-])CC)c1=O | 10.1016/j.bmc.2010.01.028 | ||
| 44406930 | 73003 | 0 | None | -2754 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 572 | 9 | 1 | 7 | 4.2 | CCCn1c(=O)c2nc(-c3ccc(OCC(=O)c4ccc(I)cc4)cc3)[nH]c2n(CCC)c1=O | 10.1021/jm0506221 | ||
| CHEMBL201022 | 73003 | 0 | None | -2754 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 572 | 9 | 1 | 7 | 4.2 | CCCn1c(=O)c2nc(-c3ccc(OCC(=O)c4ccc(I)cc4)cc3)[nH]c2n(CCC)c1=O | 10.1021/jm0506221 | ||
| 44588396 | 175415 | 0 | None | -1 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 341 | 5 | 1 | 6 | 3.0 | CCCn1c(=O)c2c(cc(-c3ccc(C)cc3)n2O)n(CCC)c1=O | 10.1016/j.bmc.2008.09.067 | ||
| CHEMBL457659 | 175415 | 0 | None | -1 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 341 | 5 | 1 | 6 | 3.0 | CCCn1c(=O)c2c(cc(-c3ccc(C)cc3)n2O)n(CCC)c1=O | 10.1016/j.bmc.2008.09.067 | ||
| 135493286 | 109737 | 0 | None | 40 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 493 | 8 | 3 | 9 | 2.8 | CCCn1c(=O)c2nc(-c3cc(NC(=O)Nc4ccc(N(C)C)cc4)nn3C)[nH]c2n(CCC)c1=O | 10.1021/jm0309654 | ||
| CHEMBL32311 | 109737 | 0 | None | 40 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 493 | 8 | 3 | 9 | 2.8 | CCCn1c(=O)c2nc(-c3cc(NC(=O)Nc4ccc(N(C)C)cc4)nn3C)[nH]c2n(CCC)c1=O | 10.1021/jm0309654 | ||
| 21874675 | 178678 | 0 | None | -53 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 331 | 3 | 2 | 7 | 2.6 | Nc1nc(-c2ccco2)c2nnn(Cc3ccc4[nH]ccc4c3)c2n1 | 10.1021/jm800961g | ||
| CHEMBL468256 | 178678 | 0 | None | -53 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 331 | 3 | 2 | 7 | 2.6 | Nc1nc(-c2ccco2)c2nnn(Cc3ccc4[nH]ccc4c3)c2n1 | 10.1021/jm800961g | ||
| 137658586 | 159285 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 288 | 3 | 2 | 5 | 1.6 | CC1=C(C(=O)OC(C)C)C(c2ccoc2)N/C(=N/C#N)N1 | 10.1021/acs.jmedchem.7b00138 | ||
| CHEMBL4099777 | 159285 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 288 | 3 | 2 | 5 | 1.6 | CC1=C(C(=O)OC(C)C)C(c2ccoc2)N/C(=N/C#N)N1 | 10.1021/acs.jmedchem.7b00138 | ||
| 44308481 | 203993 | 0 | None | -1 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 374 | 6 | 3 | 8 | 1.8 | CCCn1c(=O)c2nc(-c3cc(O)c(OC)c(O)c3)[nH]c2n(CCC)c1=O | 10.1021/jm0104318 | ||
| CHEMBL69701 | 203993 | 0 | None | -1 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 374 | 6 | 3 | 8 | 1.8 | CCCn1c(=O)c2nc(-c3cc(O)c(OC)c(O)c3)[nH]c2n(CCC)c1=O | 10.1021/jm0104318 | ||
| 10927361 | 90839 | 0 | None | 1 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 395 | 7 | 0 | 7 | 2.6 | CCCn1c(=O)c2c(nc3n2CCCN3CCc2ccccc2)n(CCC)c1=O | 10.1016/j.bmc.2007.07.051 | ||
| CHEMBL239233 | 90839 | 0 | None | 1 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 395 | 7 | 0 | 7 | 2.6 | CCCn1c(=O)c2c(nc3n2CCCN3CCc2ccccc2)n(CCC)c1=O | 10.1016/j.bmc.2007.07.051 | ||
| 21874602 | 176758 | 0 | None | -54 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 377 | 5 | 2 | 8 | 2.3 | CC(C)NC(=O)c1cccc(Cn2nnc3c(-c4ccco4)nc(N)nc32)c1 | 10.1021/jm800961g | ||
| CHEMBL460596 | 176758 | 0 | None | -54 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 377 | 5 | 2 | 8 | 2.3 | CC(C)NC(=O)c1cccc(Cn2nnc3c(-c4ccco4)nc(N)nc32)c1 | 10.1021/jm800961g | ||
| 10158974 | 155482 | 0 | None | -1 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 418 | 5 | 2 | 6 | 2.8 | CCCn1c(=O)[nH]c2nc(-c3cnn(Cc4cccc(C(F)(F)F)c4)c3)[nH]c2c1=O | 10.1021/acs.jmedchem.0c01431 | ||
| CHEMBL404168 | 155482 | 0 | None | -1 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 418 | 5 | 2 | 6 | 2.8 | CCCn1c(=O)[nH]c2nc(-c3cnn(Cc4cccc(C(F)(F)F)c4)c3)[nH]c2c1=O | 10.1021/acs.jmedchem.0c01431 | ||
| 66892382 | 159128 | 0 | None | 1 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 559 | 9 | 1 | 9 | 3.5 | CCCn1c(=O)c2[nH]c(-c3cnn(CC4CCN(c5ccc(OC(F)(F)F)cc5)C4=O)c3)nc2n(CCC)c1=O | 10.1016/j.ejmech.2016.11.007 | ||
| CHEMBL4098127 | 159128 | 0 | None | 1 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 559 | 9 | 1 | 9 | 3.5 | CCCn1c(=O)c2[nH]c(-c3cnn(CC4CCN(c5ccc(OC(F)(F)F)cc5)C4=O)c3)nc2n(CCC)c1=O | 10.1016/j.ejmech.2016.11.007 | ||
| 57429661 | 159602 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 543 | 8 | 1 | 8 | 3.6 | CCCn1c(=O)c2[nH]c(-c3cnn(CC4CCN(c5cccc(C(F)(F)F)c5)C4=O)c3)nc2n(CCC)c1=O | 10.1016/j.ejmech.2016.11.007 | ||
| CHEMBL4103446 | 159602 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 543 | 8 | 1 | 8 | 3.6 | CCCn1c(=O)c2[nH]c(-c3cnn(CC4CCN(c5cccc(C(F)(F)F)c5)C4=O)c3)nc2n(CCC)c1=O | 10.1016/j.ejmech.2016.11.007 | ||
| 11774068 | 94535 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 404 | 4 | 2 | 6 | 2.4 | CCn1c(=O)[nH]c2nc(-c3cnn(Cc4cccc(C(F)(F)F)c4)c3)[nH]c2c1=O | 10.1016/j.bmcl.2008.01.008 | ||
| CHEMBL251876 | 94535 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 404 | 4 | 2 | 6 | 2.4 | CCn1c(=O)[nH]c2nc(-c3cnn(Cc4cccc(C(F)(F)F)c4)c3)[nH]c2c1=O | 10.1016/j.bmcl.2008.01.008 | ||
| 21958524 | 94565 | 0 | None | 29 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 362 | 5 | 2 | 6 | 1.7 | O=c1[nH]c2nc(-c3cnn(Cc4ccccc4)c3)[nH]c2c(=O)n1CC1CC1 | 10.1016/j.bmcl.2008.01.008 | ||
| CHEMBL252069 | 94565 | 0 | None | 29 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 362 | 5 | 2 | 6 | 1.7 | O=c1[nH]c2nc(-c3cnn(Cc4ccccc4)c3)[nH]c2c(=O)n1CC1CC1 | 10.1016/j.bmcl.2008.01.008 | ||
| 11953248 | 5490 | 0 | None | 52 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 279 | 2 | 2 | 5 | 2.0 | O=c1[nH]c2cc(-c3ccncn3)c(-c3ccco3)nc2[nH]1 | 10.1016/j.bmcl.2010.01.077 | ||
| CHEMBL1076563 | 5490 | 0 | None | 52 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 279 | 2 | 2 | 5 | 2.0 | O=c1[nH]c2cc(-c3ccncn3)c(-c3ccco3)nc2[nH]1 | 10.1016/j.bmcl.2010.01.077 | ||
| 16072019 | 57980 | 0 | None | 75 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 280 | 3 | 1 | 5 | 2.8 | CC(=O)Nc1cnc(-c2ccncc2)c(-c2ccco2)n1 | 10.1021/ml100249e | ||
| CHEMBL1672612 | 57980 | 0 | None | 75 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 280 | 3 | 1 | 5 | 2.8 | CC(=O)Nc1cnc(-c2ccncc2)c(-c2ccco2)n1 | 10.1021/ml100249e | ||
| 53322692 | 58000 | 0 | None | 67 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 325 | 4 | 1 | 6 | 2.7 | O=C(Nc1cnc(-c2ccncc2F)c(-c2ncco2)n1)C1CC1 | 10.1021/ml100249e | ||
| CHEMBL1672632 | 58000 | 0 | None | 67 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 325 | 4 | 1 | 6 | 2.7 | O=C(Nc1cnc(-c2ccncc2F)c(-c2ncco2)n1)C1CC1 | 10.1021/ml100249e | ||
| 21958619 | 95906 | 0 | None | 38 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 418 | 4 | 1 | 7 | 2.4 | CCn1c(=O)c2[nH]c(-c3cnn(Cc4cccc(C(F)(F)F)c4)c3)nc2n(C)c1=O | 10.1021/jm7014815 | ||
| CHEMBL259342 | 95906 | 0 | None | 38 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 418 | 4 | 1 | 7 | 2.4 | CCn1c(=O)c2[nH]c(-c3cnn(Cc4cccc(C(F)(F)F)c4)c3)nc2n(C)c1=O | 10.1021/jm7014815 | ||
| 11508923 | 96115 | 0 | None | 38 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 368 | 4 | 1 | 7 | 1.5 | CCn1c(=O)c2[nH]c(-c3cnn(Cc4cccc(F)c4)c3)nc2n(C)c1=O | 10.1021/jm7014815 | ||
| CHEMBL260490 | 96115 | 0 | None | 38 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 368 | 4 | 1 | 7 | 1.5 | CCn1c(=O)c2[nH]c(-c3cnn(Cc4cccc(F)c4)c3)nc2n(C)c1=O | 10.1021/jm7014815 | ||
| 49797906 | 10712 | 0 | None | -1 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 467 | 7 | 1 | 7 | 4.3 | CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3cnn(Cc4cccc(F)c4)c3)sc12 | 10.1016/j.bmcl.2010.05.056 | ||
| CHEMBL1171165 | 10712 | 0 | None | -1 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 467 | 7 | 1 | 7 | 4.3 | CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3cnn(Cc4cccc(F)c4)c3)sc12 | 10.1016/j.bmcl.2010.05.056 | ||
| 21874647 | 176890 | 0 | None | -2 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 324 | 3 | 1 | 7 | 2.6 | Cc1ccc(-c2nc(N)nc3c2nnn3Cc2ccccc2F)o1 | 10.1021/jm800961g | ||
| CHEMBL461857 | 176890 | 0 | None | -2 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 324 | 3 | 1 | 7 | 2.6 | Cc1ccc(-c2nc(N)nc3c2nnn3Cc2ccccc2F)o1 | 10.1021/jm800961g | ||
| 135418454 | 16495 | 0 | None | -7 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 360 | 4 | 1 | 5 | 4.0 | CCCCc1nc2[nH]cnc2c2nc(-c3ccc(C(F)(F)F)cc3)nn12 | 10.1021/jm010570p | ||
| CHEMBL123705 | 16495 | 0 | None | -7 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 360 | 4 | 1 | 5 | 4.0 | CCCCc1nc2[nH]cnc2c2nc(-c3ccc(C(F)(F)F)cc3)nn12 | 10.1021/jm010570p | ||
| 11555968 | 73358 | 0 | None | 5 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 566 | 10 | 2 | 6 | 5.5 | CCCn1c(=O)c2[nH]c(-c3ccc(OC(CC)C(=O)Nc4ccc(Br)cc4)cc3)cc2n(CCC)c1=O | 10.1021/jm0506221 | ||
| CHEMBL201493 | 73358 | 0 | None | 5 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 566 | 10 | 2 | 6 | 5.5 | CCCn1c(=O)c2[nH]c(-c3ccc(OC(CC)C(=O)Nc4ccc(Br)cc4)cc3)cc2n(CCC)c1=O | 10.1021/jm0506221 | ||
| 44451074 | 158785 | 0 | None | 79 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 535 | 7 | 1 | 7 | 3.5 | CCCn1c(=O)n(C)c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(c5cccc(Cl)c5)CC4)cc3)cc21 | 10.1016/j.bmc.2008.01.002 | ||
| CHEMBL409443 | 158785 | 0 | None | 79 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 535 | 7 | 1 | 7 | 3.5 | CCCn1c(=O)n(C)c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(c5cccc(Cl)c5)CC4)cc3)cc21 | 10.1016/j.bmc.2008.01.002 | ||
| 155518147 | 170231 | 0 | None | 27 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 554 | 9 | 3 | 9 | 1.4 | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(c5ccc(OCCO)cc5)CC4)cc3)[nH]c2c1=O | 10.1021/acs.jmedchem.9b00071 | ||
| CHEMBL4445941 | 170231 | 0 | None | 27 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 554 | 9 | 3 | 9 | 1.4 | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(c5ccc(OCCO)cc5)CC4)cc3)[nH]c2c1=O | 10.1021/acs.jmedchem.9b00071 | ||
| 11730776 | 139365 | 0 | None | 3 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 498 | 8 | 2 | 8 | 1.6 | CCCCn1c(=O)[nH]c2[nH]c(-c3ccc(OCC(=O)N4CCN(C(=O)OCC)CC4)cc3)nc2c1=O | 10.1021/jm011049y | ||
| CHEMBL37933 | 139365 | 0 | None | 3 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 498 | 8 | 2 | 8 | 1.6 | CCCCn1c(=O)[nH]c2[nH]c(-c3ccc(OCC(=O)N4CCN(C(=O)OCC)CC4)cc3)nc2c1=O | 10.1021/jm011049y | ||
| 44450979 | 95860 | 0 | None | 66 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 530 | 8 | 1 | 7 | 3.9 | CCCn1c(=O)n(C)c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCC(c5ccccc5OC)CC4)cc3)cc21 | 10.1016/j.bmc.2008.01.002 | ||
| CHEMBL259151 | 95860 | 0 | None | 66 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 530 | 8 | 1 | 7 | 3.9 | CCCn1c(=O)n(C)c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCC(c5ccccc5OC)CC4)cc3)cc21 | 10.1016/j.bmc.2008.01.002 | ||
| 44450983 | 158857 | 0 | None | 6 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 543 | 10 | 1 | 7 | 3.7 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(Cc5ccccc5)CC4)cc3)cc2n(CCC)c1=O | 10.1016/j.bmc.2008.01.002 | ||
| CHEMBL409514 | 158857 | 0 | None | 6 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 543 | 10 | 1 | 7 | 3.7 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(Cc5ccccc5)CC4)cc3)cc2n(CCC)c1=O | 10.1016/j.bmc.2008.01.002 | ||
| 44450983 | 158857 | 0 | None | 6 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 543 | 10 | 1 | 7 | 3.7 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(Cc5ccccc5)CC4)cc3)cc2n(CCC)c1=O | 10.1016/j.bmc.2008.09.067 | ||
| CHEMBL409514 | 158857 | 0 | None | 6 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 543 | 10 | 1 | 7 | 3.7 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(Cc5ccccc5)CC4)cc3)cc2n(CCC)c1=O | 10.1016/j.bmc.2008.09.067 | ||
| 44236505 | 159615 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 446 | 7 | 1 | 8 | 2.6 | CCCn1c(=O)c2[nH]c(-c3cnn(CC#Cc4cccc(OC)c4)c3)nc2n(CCC)c1=O | 10.1016/j.ejmech.2017.04.014 | ||
| CHEMBL4103585 | 159615 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 446 | 7 | 1 | 8 | 2.6 | CCCn1c(=O)c2[nH]c(-c3cnn(CC#Cc4cccc(OC)c4)c3)nc2n(CCC)c1=O | 10.1016/j.ejmech.2017.04.014 | ||
| 7052992 | 183303 | 2 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 280 | 3 | 2 | 4 | 2.0 | CC1=C(C(=O)OC(C)C)[C@@H](c2ccco2)NC(=S)N1 | 10.1021/acs.jmedchem.0c01431 | ||
| CHEMBL4797393 | 183303 | 2 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 280 | 3 | 2 | 4 | 2.0 | CC1=C(C(=O)OC(C)C)[C@@H](c2ccco2)NC(=S)N1 | 10.1021/acs.jmedchem.0c01431 | ||
| 44451284 | 96435 | 0 | None | 56 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 507 | 5 | 1 | 7 | 2.6 | Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(c5ccccc5Cl)CC4)cc3)cc2n(C)c1=O | 10.1016/j.bmc.2008.01.002 | ||
| CHEMBL262333 | 96435 | 0 | None | 56 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 507 | 5 | 1 | 7 | 2.6 | Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(c5ccccc5Cl)CC4)cc3)cc2n(C)c1=O | 10.1016/j.bmc.2008.01.002 | ||
| 44451272 | 159562 | 0 | None | 56 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 498 | 5 | 1 | 8 | 1.8 | Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(c5ccc(C#N)cc5)CC4)cc3)cc2n(C)c1=O | 10.1016/j.bmc.2008.01.002 | ||
| CHEMBL410297 | 159562 | 0 | None | 56 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 498 | 5 | 1 | 8 | 1.8 | Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(c5ccc(C#N)cc5)CC4)cc3)cc2n(C)c1=O | 10.1016/j.bmc.2008.01.002 | ||
| 44224278 | 156346 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 430 | 6 | 1 | 7 | 2.9 | CCCn1c(=O)c2[nH]c(-c3cnn(CC#Cc4ccc(C)cc4)c3)nc2n(CCC)c1=O | 10.1016/j.ejmech.2017.04.014 | ||
| CHEMBL4066128 | 156346 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 430 | 6 | 1 | 7 | 2.9 | CCCn1c(=O)c2[nH]c(-c3cnn(CC#Cc4ccc(C)cc4)c3)nc2n(CCC)c1=O | 10.1016/j.ejmech.2017.04.014 | ||
| 66893874 | 159284 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 543 | 8 | 1 | 8 | 3.6 | CCCn1c(=O)c2[nH]c(-c3cnn(CC4CC(=O)N(c5cccc(C(F)(F)F)c5)C4)c3)nc2n(CCC)c1=O | 10.1016/j.ejmech.2016.11.007 | ||
| CHEMBL4099762 | 159284 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 543 | 8 | 1 | 8 | 3.6 | CCCn1c(=O)c2[nH]c(-c3cnn(CC4CC(=O)N(c5cccc(C(F)(F)F)c5)C4)c3)nc2n(CCC)c1=O | 10.1016/j.ejmech.2016.11.007 | ||
| 44588516 | 188889 | 0 | None | 4 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 405 | 6 | 2 | 7 | 2.1 | CCCn1c(=O)c2[nH]c(-c3ccc(S(C)(=O)=O)cc3)c(O)c2n(CCC)c1=O | 10.1016/j.bmc.2008.09.067 | ||
| CHEMBL507754 | 188889 | 0 | None | 4 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 405 | 6 | 2 | 7 | 2.1 | CCCn1c(=O)c2[nH]c(-c3ccc(S(C)(=O)=O)cc3)c(O)c2n(CCC)c1=O | 10.1016/j.bmc.2008.09.067 | ||
| 10863622 | 133386 | 0 | None | 4 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 468 | 7 | 2 | 7 | 1.0 | CCCCn1c(=O)[nH]c2[nH]c(-c3ccc(OCC(=O)N4CCN(C(C)=O)CC4)cc3)nc2c1=O | 10.1021/jm011049y | ||
| CHEMBL37050 | 133386 | 0 | None | 4 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 468 | 7 | 2 | 7 | 1.0 | CCCCn1c(=O)[nH]c2[nH]c(-c3ccc(OCC(=O)N4CCN(C(C)=O)CC4)cc3)nc2c1=O | 10.1021/jm011049y | ||
| 44450933 | 96010 | 0 | None | 36 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 543 | 9 | 1 | 7 | 4.1 | CCCn1c(=O)c2[nH]c(-c3ccc(OC(C)C(=O)N4CCN(c5ccccc5)CC4)cc3)cc2n(CCC)c1=O | 10.1016/j.bmc.2008.01.002 | ||
| CHEMBL259871 | 96010 | 0 | None | 36 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 543 | 9 | 1 | 7 | 4.1 | CCCn1c(=O)c2[nH]c(-c3ccc(OC(C)C(=O)N4CCN(c5ccccc5)CC4)cc3)cc2n(CCC)c1=O | 10.1016/j.bmc.2008.01.002 | ||
| 44236659 | 159648 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 434 | 6 | 1 | 7 | 2.8 | CCCn1c(=O)c2[nH]c(-c3cnn(CC#Cc4cccc(F)c4)c3)nc2n(CCC)c1=O | 10.1016/j.ejmech.2017.04.014 | ||
| CHEMBL4103997 | 159648 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 434 | 6 | 1 | 7 | 2.8 | CCCn1c(=O)c2[nH]c(-c3cnn(CC#Cc4cccc(F)c4)c3)nc2n(CCC)c1=O | 10.1016/j.ejmech.2017.04.014 | ||
| 52945195 | 19147 | 0 | None | 3 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 525 | 10 | 3 | 6 | 4.7 | O=C(COc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccccc3)c2c1)N[C@@H](CO)c1ccccc1 | 10.1016/j.bmcl.2010.10.030 | ||
| CHEMBL1289676 | 19147 | 0 | None | 3 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 525 | 10 | 3 | 6 | 4.7 | O=C(COc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccccc3)c2c1)N[C@@H](CO)c1ccccc1 | 10.1016/j.bmcl.2010.10.030 | ||
| 11046203 | 99944 | 3 | None | 8 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 344 | 2 | 2 | 4 | 1.5 | C#CCn1c(=O)[nH]c2[nH]c(-c3ccc(Br)cc3)nc2c1=O | 10.1021/jm011049y | ||
| CHEMBL286527 | 99944 | 3 | None | 8 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 344 | 2 | 2 | 4 | 1.5 | C#CCn1c(=O)[nH]c2[nH]c(-c3ccc(Br)cc3)nc2c1=O | 10.1021/jm011049y | ||
| 155531840 | 171618 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 391 | 3 | 1 | 6 | 4.4 | CC1=C(C(=O)O[C@H](C)C(F)(F)F)[C@@H](c2ccco2)n2c(nc3ccccc32)N1 | 10.1021/acs.jmedchem.9b01340 | ||
| CHEMBL4465889 | 171618 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 391 | 3 | 1 | 6 | 4.4 | CC1=C(C(=O)O[C@H](C)C(F)(F)F)[C@@H](c2ccco2)n2c(nc3ccccc32)N1 | 10.1021/acs.jmedchem.9b01340 | ||
| 11533996 | 73208 | 0 | None | 15 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 544 | 10 | 2 | 7 | 4.9 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(OC(F)(F)F)cc4)cc3)cc2n(CCC)c1=O | 10.1021/jm0506221 | ||
| CHEMBL201239 | 73208 | 0 | None | 15 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 544 | 10 | 2 | 7 | 4.9 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(OC(F)(F)F)cc4)cc3)cc2n(CCC)c1=O | 10.1021/jm0506221 | ||
| 11554182 | 140544 | 0 | None | 11 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 449 | 6 | 2 | 8 | 2.2 | Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc([N+](=O)[O-])cc4)cc3)cc2n(C)c1=O | 10.1021/jm0506221 | ||
| CHEMBL381214 | 140544 | 0 | None | 11 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 449 | 6 | 2 | 8 | 2.2 | Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc([N+](=O)[O-])cc4)cc3)cc2n(C)c1=O | 10.1021/jm0506221 | ||
| 44450932 | 96009 | 0 | None | 5 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 563 | 9 | 1 | 7 | 4.4 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(c5ccccc5Cl)CC4)cc3)cc2n(CCC)c1=O | 10.1016/j.bmc.2008.01.002 | ||
| CHEMBL259870 | 96009 | 0 | None | 5 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 563 | 9 | 1 | 7 | 4.4 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(c5ccccc5Cl)CC4)cc3)cc2n(CCC)c1=O | 10.1016/j.bmc.2008.01.002 | ||
| CHEMBL5074665 | 214301 | 0 | None | -5 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | None | None | None | CNc1nc(-c2ccccc2)c(C#N)c(-c2cc(OC)cc(OC)c2)n1 | 10.1021/acs.jmedchem.1c01636 | ||||
| 135874422 | 159061 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 509 | 10 | 2 | 10 | 2.5 | CCCn1c(=O)c2[nH]c(-c3cc(C)n(CC(=O)Nc4ccc(OC)c(OC)c4)n3)nc2n(CCC)c1=O | 10.1016/j.bmc.2007.11.058 | ||
| CHEMBL409736 | 159061 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 509 | 10 | 2 | 10 | 2.5 | CCCn1c(=O)c2[nH]c(-c3cc(C)n(CC(=O)Nc4ccc(OC)c(OC)c4)n3)nc2n(CCC)c1=O | 10.1016/j.bmc.2007.11.058 | ||
| 21916398 | 95856 | 0 | None | 1 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 396 | 5 | 1 | 7 | 2.1 | CC(C)Cn1c(=O)c2[nH]c(-c3cnn(Cc4cccc(F)c4)c3)nc2n(C)c1=O | 10.1021/jm7014815 | ||
| CHEMBL259130 | 95856 | 0 | None | 1 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 396 | 5 | 1 | 7 | 2.1 | CC(C)Cn1c(=O)c2[nH]c(-c3cnn(Cc4cccc(F)c4)c3)nc2n(C)c1=O | 10.1021/jm7014815 | ||
| 443 | 752 | 10 | None | -3 | 7 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 382 | 7 | 2 | 6 | 2.5 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)/C=C/C(=O)O | 10.1021/jm011049y | ||
| 6439089 | 752 | 10 | None | -3 | 7 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 382 | 7 | 2 | 6 | 2.5 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)/C=C/C(=O)O | 10.1021/jm011049y | ||
| CHEMBL16997 | 752 | 10 | None | -3 | 7 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 382 | 7 | 2 | 6 | 2.5 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)/C=C/C(=O)O | 10.1021/jm011049y | ||
| 11713673 | 72673 | 0 | None | 3 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 546 | 12 | 2 | 8 | 4.1 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(CC(=O)OCC)cc4)cc3)cc2n(CCC)c1=O | 10.1021/jm0506221 | ||
| CHEMBL199722 | 72673 | 0 | None | 3 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 546 | 12 | 2 | 8 | 4.1 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(CC(=O)OCC)cc4)cc3)cc2n(CCC)c1=O | 10.1021/jm0506221 | ||
| 11634901 | 73483 | 0 | None | 4 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 512 | 9 | 2 | 6 | 4.8 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4cccc(F)c4)cc3)c(Cl)c2n(CCC)c1=O | 10.1021/jm0506221 | ||
| CHEMBL201679 | 73483 | 0 | None | 4 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 512 | 9 | 2 | 6 | 4.8 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4cccc(F)c4)cc3)c(Cl)c2n(CCC)c1=O | 10.1021/jm0506221 | ||
| 168271107 | 190045 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 394 | 6 | 1 | 7 | 2.0 | CCCn1c(=O)c2[nH]c(-c3ccc(S(=O)(=O)F)cc3)nc2n(CCC)c1=O | 10.1039/d2md00132b | ||
| CHEMBL5172513 | 190045 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 394 | 6 | 1 | 7 | 2.0 | CCCn1c(=O)c2[nH]c(-c3ccc(S(=O)(=O)F)cc3)nc2n(CCC)c1=O | 10.1039/d2md00132b | ||
| 935972 | 97506 | 10 | None | -1 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 272 | 1 | 2 | 6 | 0.3 | Cn1c(=O)c2nc(-c3ccc(O)cc3)[nH]c2n(C)c1=O | 10.1021/jm0104318 | ||
| CHEMBL27047 | 97506 | 10 | None | -1 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 272 | 1 | 2 | 6 | 0.3 | Cn1c(=O)c2nc(-c3ccc(O)cc3)[nH]c2n(C)c1=O | 10.1021/jm0104318 | ||
| 44574224 | 178568 | 0 | None | 3 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 466 | 8 | 2 | 7 | 4.8 | CCCn1c(=O)c2[nH]c(-c3ccc(COC(=O)Nc4cccs4)cc3)cc2n(CCC)c1=O | 10.1016/j.bmc.2009.03.062 | ||
| CHEMBL467270 | 178568 | 0 | None | 3 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 466 | 8 | 2 | 7 | 4.8 | CCCn1c(=O)c2[nH]c(-c3ccc(COC(=O)Nc4cccs4)cc3)cc2n(CCC)c1=O | 10.1016/j.bmc.2009.03.062 | ||
| 135633267 | 139122 | 15 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 274 | 3 | 1 | 7 | 1.7 | CCOC(=O)C1=C(C)Nc2ncnn2C1c1ccoc1 | 10.1021/acs.jmedchem.5b01586 | ||
| CHEMBL3787123 | 139122 | 15 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 274 | 3 | 1 | 7 | 1.7 | CCOC(=O)C1=C(C)Nc2ncnn2C1c1ccoc1 | 10.1021/acs.jmedchem.5b01586 | ||
| 2748280 | 20101 | 32 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 266 | 3 | 2 | 5 | 2.0 | CCOC(=O)C1=C(C)N=C(S)NC1c1ccco1 | 10.1021/acs.jmedchem.0c01431 | ||
| CHEMBL1304358 | 20101 | 32 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 266 | 3 | 2 | 5 | 2.0 | CCOC(=O)C1=C(C)N=C(S)NC1c1ccco1 | 10.1021/acs.jmedchem.0c01431 | ||
| 2748280 | 20101 | 32 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 266 | 3 | 2 | 5 | 2.0 | CCOC(=O)C1=C(C)N=C(S)NC1c1ccco1 | 10.1021/ml400185v | ||
| CHEMBL1304358 | 20101 | 32 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 266 | 3 | 2 | 5 | 2.0 | CCOC(=O)C1=C(C)N=C(S)NC1c1ccco1 | 10.1021/ml400185v | ||
| 11798368 | 121899 | 0 | None | 1 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 464 | 6 | 2 | 8 | 5.1 | CC(C)CCn1cc2c(nc(NC(=O)Nc3cccc(Cl)c3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm001047y | ||
| CHEMBL359044 | 121899 | 0 | None | 1 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 464 | 6 | 2 | 8 | 5.1 | CC(C)CCn1cc2c(nc(NC(=O)Nc3cccc(Cl)c3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm001047y | ||
| 10982985 | 119976 | 0 | None | -2 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 436 | 5 | 2 | 8 | 4.4 | CCCn1cc2c(nc(NC(=O)Nc3ccccc3Cl)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm0109614 | ||
| CHEMBL350042 | 119976 | 0 | None | -2 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 436 | 5 | 2 | 8 | 4.4 | CCCn1cc2c(nc(NC(=O)Nc3ccccc3Cl)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm0109614 | ||
| 136042337 | 71134 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 520 | 10 | 1 | 12 | 2.7 | CCCn1c(=O)c2[nH]c(-c3cc(OCc4noc(-c5cccc(OC)c5)n4)nn3C)nc2n(CCC)c1=O | 10.1021/jm201292w | ||
| CHEMBL1955913 | 71134 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 520 | 10 | 1 | 12 | 2.7 | CCCn1c(=O)c2[nH]c(-c3cc(OCc4noc(-c5cccc(OC)c5)n4)nn3C)nc2n(CCC)c1=O | 10.1021/jm201292w | ||
| 155522786 | 170728 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 318 | 3 | 2 | 4 | 2.4 | CC1=C(C(=O)OC(C)C(F)(F)F)C(c2ccco2)NC(=O)N1 | 10.1021/acs.jmedchem.9b01340 | ||
| CHEMBL4452495 | 170728 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 318 | 3 | 2 | 4 | 2.4 | CC1=C(C(=O)OC(C)C(F)(F)F)C(c2ccco2)NC(=O)N1 | 10.1021/acs.jmedchem.9b01340 | ||
| 46227959 | 201705 | 0 | None | 2 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 394 | 7 | 0 | 8 | 1.8 | COCCn1c(=O)c2c(nc(Cc3ccccc3)n2C)n(Cc2ccco2)c1=O | 10.1016/j.bmc.2009.07.034 | ||
| CHEMBL606535 | 201705 | 0 | None | 2 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 394 | 7 | 0 | 8 | 1.8 | COCCn1c(=O)c2c(nc(Cc3ccccc3)n2C)n(Cc2ccco2)c1=O | 10.1016/j.bmc.2009.07.034 | ||
| 44417680 | 82111 | 0 | None | -870 | 6 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 344 | 5 | 1 | 6 | 1.6 | CCCn1c(=O)c2nc([C@H]3CC4C[C@@H]3[C@H]3O[C@@H]43)[nH]c2n(CCC)c1=O | 10.1021/jm0605381 | ||
| CHEMBL216750 | 82111 | 0 | None | -870 | 6 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 344 | 5 | 1 | 6 | 1.6 | CCCn1c(=O)c2nc([C@H]3CC4C[C@@H]3[C@H]3O[C@@H]43)[nH]c2n(CCC)c1=O | 10.1021/jm0605381 | ||
| 168272084 | 190258 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 369 | 6 | 1 | 7 | 3.1 | CCCn1c(=O)c2[nH]c(-c3cccc(N=C=S)c3)nc2n(CCC)c1=O | 10.1039/d2md00132b | ||
| CHEMBL5175698 | 190258 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 369 | 6 | 1 | 7 | 3.1 | CCCn1c(=O)c2[nH]c(-c3cccc(N=C=S)c3)nc2n(CCC)c1=O | 10.1039/d2md00132b | ||
| 1328 | 1357 | 35 | None | -7 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 284 | 3 | 1 | 5 | 1.6 | CCn1c2nc([nH]c2c(=O)n(c1=O)CC)c1ccccc1 | 10.1021/jm0104318 | ||
| 445 | 1357 | 35 | None | -7 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 284 | 3 | 1 | 5 | 1.6 | CCn1c2nc([nH]c2c(=O)n(c1=O)CC)c1ccccc1 | 10.1021/jm0104318 | ||
| CHEMBL11348 | 1357 | 35 | None | -7 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 284 | 3 | 1 | 5 | 1.6 | CCn1c2nc([nH]c2c(=O)n(c1=O)CC)c1ccccc1 | 10.1021/jm0104318 | ||
| 57988794 | 156809 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 340 | 6 | 1 | 7 | 1.2 | C#CCn1cc(-c2nc3c([nH]2)c(=O)n(CCC)c(=O)n3CCC)cn1 | 10.1016/j.ejmech.2017.04.014 | ||
| CHEMBL4071331 | 156809 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 340 | 6 | 1 | 7 | 1.2 | C#CCn1cc(-c2nc3c([nH]2)c(=O)n(CCC)c(=O)n3CCC)cn1 | 10.1016/j.ejmech.2017.04.014 | ||
| 24950690 | 178591 | 0 | None | -9 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 275 | 2 | 1 | 4 | 3.8 | Cc1cccc(-c2cc(-c3ccco3)nc(N)c2C#N)c1 | 10.1021/jm701594y | ||
| CHEMBL467386 | 178591 | 0 | None | -9 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 275 | 2 | 1 | 4 | 3.8 | Cc1cccc(-c2cc(-c3ccco3)nc(N)c2C#N)c1 | 10.1021/jm701594y | ||
| 11352497 | 122941 | 0 | None | -123 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 498 | 8 | 6 | 15 | -0.9 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(N)nc(N[C@H](CO)Cc5ccc(O)cc5)nc43)[C@H](O)[C@@H]2O)n1 | 10.1021/jm031143+ | ||
| CHEMBL360837 | 122941 | 0 | None | -123 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 498 | 8 | 6 | 15 | -0.9 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(N)nc(N[C@H](CO)Cc5ccc(O)cc5)nc43)[C@H](O)[C@@H]2O)n1 | 10.1021/jm031143+ | ||
| 152034 | 76516 | 8 | None | -1 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 278 | 5 | 1 | 5 | 1.6 | CC(C)CCn1c(=O)c2nc[nH]c2n(CC(C)C)c1=O | 10.1021/jm0104318 | ||
| CHEMBL20613 | 76516 | 8 | None | -1 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 278 | 5 | 1 | 5 | 1.6 | CC(C)CCn1c(=O)c2nc[nH]c2n(CC(C)C)c1=O | 10.1021/jm0104318 | ||
| 2732424 | 22160 | 29 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 282 | 3 | 2 | 5 | 2.5 | CCOC(=O)C1=C(C)N=C(S)NC1c1cccs1 | 10.1021/ml400185v | ||
| CHEMBL1322729 | 22160 | 29 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 282 | 3 | 2 | 5 | 2.5 | CCOC(=O)C1=C(C)N=C(S)NC1c1cccs1 | 10.1021/ml400185v | ||
| 16070216 | 57985 | 0 | None | 16 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 360 | 4 | 1 | 5 | 4.2 | O=C(Nc1cnc(-c2ccncc2)c(-c2ccco2)n1)c1ccc(F)cc1 | 10.1021/ml100249e | ||
| CHEMBL1672617 | 57985 | 0 | None | 16 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 360 | 4 | 1 | 5 | 4.2 | O=C(Nc1cnc(-c2ccncc2)c(-c2ccco2)n1)c1ccc(F)cc1 | 10.1021/ml100249e | ||
| 44406328 | 134101 | 0 | None | 31 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 489 | 9 | 1 | 10 | 3.3 | CCCn1c(=O)c2nc(-c3cnn(Cc4cc(-c5ccc(OC)cc5)on4)c3)[nH]c2n(CCC)c1=O | 10.1016/j.bmcl.2005.10.002 | ||
| CHEMBL371649 | 134101 | 0 | None | 31 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 489 | 9 | 1 | 10 | 3.3 | CCCn1c(=O)c2nc(-c3cnn(Cc4cc(-c5ccc(OC)cc5)on4)c3)[nH]c2n(CCC)c1=O | 10.1016/j.bmcl.2005.10.002 | ||
| 21874557 | 3965 | 51 | None | -52 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 321 | 3 | 2 | 8 | 2.0 | Nc1nc(c2ccco2)c2c(n1)n(nn2)Cc1ccc(c(c1)C)N | 10.1021/jm800961g | ||
| 5612 | 3965 | 51 | None | -52 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 321 | 3 | 2 | 8 | 2.0 | Nc1nc(c2ccco2)c2c(n1)n(nn2)Cc1ccc(c(c1)C)N | 10.1021/jm800961g | ||
| CHEMBL447664 | 3965 | 51 | None | -52 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 321 | 3 | 2 | 8 | 2.0 | Nc1nc(c2ccco2)c2c(n1)n(nn2)Cc1ccc(c(c1)C)N | 10.1021/jm800961g | ||
| DB06625 | 3965 | 51 | None | -52 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 321 | 3 | 2 | 8 | 2.0 | Nc1nc(c2ccco2)c2c(n1)n(nn2)Cc1ccc(c(c1)C)N | 10.1021/jm800961g | ||
| 21874557 | 3965 | 51 | None | -52 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 321 | 3 | 2 | 8 | 2.0 | Nc1nc(c2ccco2)c2c(n1)n(nn2)Cc1ccc(c(c1)C)N | 10.1021/jm4011669 | ||
| 5612 | 3965 | 51 | None | -52 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 321 | 3 | 2 | 8 | 2.0 | Nc1nc(c2ccco2)c2c(n1)n(nn2)Cc1ccc(c(c1)C)N | 10.1021/jm4011669 | ||
| CHEMBL447664 | 3965 | 51 | None | -52 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 321 | 3 | 2 | 8 | 2.0 | Nc1nc(c2ccco2)c2c(n1)n(nn2)Cc1ccc(c(c1)C)N | 10.1021/jm4011669 | ||
| DB06625 | 3965 | 51 | None | -52 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 321 | 3 | 2 | 8 | 2.0 | Nc1nc(c2ccco2)c2c(n1)n(nn2)Cc1ccc(c(c1)C)N | 10.1021/jm4011669 | ||
| 11576751 | 73004 | 0 | None | 7 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 488 | 10 | 2 | 7 | 3.8 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(C=O)cc4)cc3)cc2n(CCC)c1=O | 10.1021/jm0506221 | ||
| CHEMBL201024 | 73004 | 0 | None | 7 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 488 | 10 | 2 | 7 | 3.8 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(C=O)cc4)cc3)cc2n(CCC)c1=O | 10.1021/jm0506221 | ||
| 1329 | 1460 | 86 | None | -1288 | 14 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 304 | 5 | 1 | 5 | 2.4 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C1CCCC1 | 10.1021/jm0104318 | ||
| 386 | 1460 | 86 | None | -1288 | 14 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 304 | 5 | 1 | 5 | 2.4 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C1CCCC1 | 10.1021/jm0104318 | ||
| CHEMBL183 | 1460 | 86 | None | -1288 | 14 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 304 | 5 | 1 | 5 | 2.4 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C1CCCC1 | 10.1021/jm0104318 | ||
| DB12946 | 1460 | 86 | None | -1288 | 14 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 304 | 5 | 1 | 5 | 2.4 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C1CCCC1 | 10.1021/jm0104318 | ||
| 9901497 | 190157 | 0 | None | -162 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 317 | 3 | 1 | 8 | 2.0 | N#Cc1cccc(Cn2nnc3c(-c4ccco4)nc(N)nc32)c1 | 10.1021/jm800961g | ||
| CHEMBL517417 | 190157 | 0 | None | -162 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 317 | 3 | 1 | 8 | 2.0 | N#Cc1cccc(Cn2nnc3c(-c4ccco4)nc(N)nc32)c1 | 10.1021/jm800961g | ||
| 70696536 | 75419 | 0 | None | -5 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 338 | 5 | 3 | 5 | 2.6 | COc1cccc2cc(C(=O)NCCc3ccc(O)cc3)c(=N)oc12 | 10.1016/j.ejmech.2012.05.009 | ||
| CHEMBL2042073 | 75419 | 0 | None | -5 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 338 | 5 | 3 | 5 | 2.6 | COc1cccc2cc(C(=O)NCCc3ccc(O)cc3)c(=N)oc12 | 10.1016/j.ejmech.2012.05.009 | ||
| 21874771 | 178540 | 0 | None | -74 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 298 | 3 | 1 | 7 | 2.6 | Nc1nc(-c2ccco2)c2nnn(CC3CCCCC3)c2n1 | 10.1021/jm800961g | ||
| CHEMBL467035 | 178540 | 0 | None | -74 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 298 | 3 | 1 | 7 | 2.6 | Nc1nc(-c2ccco2)c2nnn(CC3CCCCC3)c2n1 | 10.1021/jm800961g | ||
| 162673363 | 182974 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 280 | 3 | 2 | 4 | 2.6 | CC1=C(C(=O)SC(C)C)C(c2ccoc2)NC(=O)N1 | 10.1021/acs.jmedchem.0c01431 | ||
| CHEMBL4793548 | 182974 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 280 | 3 | 2 | 4 | 2.6 | CC1=C(C(=O)SC(C)C)C(c2ccoc2)NC(=O)N1 | 10.1021/acs.jmedchem.0c01431 | ||
| 25027418 | 64452 | 0 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 325 | 4 | 1 | 5 | 3.1 | COc1ccc(NC(=O)c2coc3ccccc3c2=O)cc1OC | 10.1016/j.ejmech.2012.05.033 | ||
| CHEMBL1814067 | 64452 | 0 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 325 | 4 | 1 | 5 | 3.1 | COc1ccc(NC(=O)c2coc3ccccc3c2=O)cc1OC | 10.1016/j.ejmech.2012.05.033 | ||
| 67364057 | 74260 | 0 | None | -15 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 295 | 2 | 1 | 5 | 2.9 | Cc1cc(-c2nnc(N)nc2-c2ccc(F)cc2)cc(C)n1 | 10.1021/acs.jmedchem.0c00237 | ||
| CHEMBL2024116 | 74260 | 0 | None | -15 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 295 | 2 | 1 | 5 | 2.9 | Cc1cc(-c2nnc(N)nc2-c2ccc(F)cc2)cc(C)n1 | 10.1021/acs.jmedchem.0c00237 | ||
| CHEMBL5076254 | 214400 | 0 | None | -3 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | None | None | None | COc1cc(OC)cc(-c2nc(Nc3ccccc3)nc(-c3ccccc3)c2C#N)c1 | 10.1021/acs.jmedchem.1c01636 | ||||
| 44588517 | 175135 | 0 | None | 3 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 377 | 4 | 2 | 7 | 1.2 | CCCn1c(=O)c2[nH]c(-c3ccc(S(C)(=O)=O)cc3)c(O)c2n(C)c1=O | 10.1016/j.bmc.2008.09.067 | ||
| CHEMBL457015 | 175135 | 0 | None | 3 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 377 | 4 | 2 | 7 | 1.2 | CCCn1c(=O)c2[nH]c(-c3ccc(S(C)(=O)=O)cc3)c(O)c2n(C)c1=O | 10.1016/j.bmc.2008.09.067 | ||
| 22266784 | 141208 | 0 | None | 27 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 528 | 8 | 1 | 10 | 3.7 | CCCn1c(=O)c2nc(-c3cnn(Cc4noc(-c5cccc(C(F)(F)F)c5)n4)c3)[nH]c2n(CCC)c1=O | 10.1016/j.bmcl.2005.10.002 | ||
| CHEMBL382929 | 141208 | 0 | None | 27 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 528 | 8 | 1 | 10 | 3.7 | CCCn1c(=O)c2nc(-c3cnn(Cc4noc(-c5cccc(C(F)(F)F)c5)n4)c3)[nH]c2n(CCC)c1=O | 10.1016/j.bmcl.2005.10.002 | ||
| 11698623 | 78155 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 478 | 7 | 1 | 7 | 3.8 | CCCn1c(=O)c2nc(-c3cnn(Cc4ccc(F)c(C(F)(F)F)c4)c3)[nH]c2n(CCC)c1=O | 10.1021/jm051268+ | ||
| CHEMBL210482 | 78155 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 478 | 7 | 1 | 7 | 3.8 | CCCn1c(=O)c2nc(-c3cnn(Cc4ccc(F)c(C(F)(F)F)c4)c3)[nH]c2n(CCC)c1=O | 10.1021/jm051268+ | ||
| 1676 | 98956 | 61 | None | -3 | 10 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 194 | 2 | 2 | 4 | -0.2 | CCCn1c(=O)[nH]c(=O)c2[nH]cnc21 | 10.1021/jm900413e | ||
| CHEMBL279898 | 98956 | 61 | None | -3 | 10 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 194 | 2 | 2 | 4 | -0.2 | CCCn1c(=O)[nH]c(=O)c2[nH]cnc21 | 10.1021/jm900413e | ||
| 155517938 | 170203 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 334 | 3 | 2 | 4 | 2.9 | CC1=C(C(=O)OC(C)C(F)(F)F)C(c2ccsc2)NC(=O)N1 | 10.1021/acs.jmedchem.9b01340 | ||
| CHEMBL4445568 | 170203 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 334 | 3 | 2 | 4 | 2.9 | CC1=C(C(=O)OC(C)C(F)(F)F)C(c2ccsc2)NC(=O)N1 | 10.1021/acs.jmedchem.9b01340 | ||
| 9901700 | 190868 | 0 | None | -354 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 322 | 4 | 1 | 8 | 2.1 | COc1cccc(Cn2nnc3c(-c4ccco4)nc(N)nc32)c1 | 10.1021/jm800961g | ||
| CHEMBL518497 | 190868 | 0 | None | -354 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 322 | 4 | 1 | 8 | 2.1 | COc1cccc(Cn2nnc3c(-c4ccco4)nc(N)nc32)c1 | 10.1021/jm800961g | ||
| 21958565 | 64429 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 504 | 9 | 1 | 9 | 4.1 | CCCn1c(=O)c2nc(-c3ccc(OCc4noc(-c5ccccc5F)n4)cc3)[nH]c2n(CCC)c1=O | 10.1016/j.bmcl.2004.11.044 | ||
| CHEMBL181346 | 64429 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 504 | 9 | 1 | 9 | 4.1 | CCCn1c(=O)c2nc(-c3ccc(OCc4noc(-c5ccccc5F)n4)cc3)[nH]c2n(CCC)c1=O | 10.1016/j.bmcl.2004.11.044 | ||
| 46228017 | 199778 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 400 | 8 | 1 | 8 | 2.5 | CCSCCn1c(=O)c2[nH]c(Cc3ccco3)nc2n(Cc2ccco2)c1=O | 10.1016/j.bmc.2009.07.034 | ||
| CHEMBL594046 | 199778 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 400 | 8 | 1 | 8 | 2.5 | CCSCCn1c(=O)c2[nH]c(Cc3ccco3)nc2n(Cc2ccco2)c1=O | 10.1016/j.bmc.2009.07.034 | ||
| 10869347 | 203621 | 0 | None | 8 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 270 | 3 | 1 | 5 | 0.7 | Cn1c(=O)n(CCc2ccccc2)c(=O)c2[nH]cnc21 | 10.1021/jm0104318 | ||
| CHEMBL67228 | 203621 | 0 | None | 8 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 270 | 3 | 1 | 5 | 0.7 | Cn1c(=O)n(CCc2ccccc2)c(=O)c2[nH]cnc21 | 10.1021/jm0104318 | ||
| 9967620 | 188953 | 0 | None | -173 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 337 | 4 | 1 | 9 | 2.0 | Nc1nc(-c2ccco2)c2nnn(Cc3cccc([N+](=O)[O-])c3)c2n1 | 10.1021/jm800961g | ||
| CHEMBL508451 | 188953 | 0 | None | -173 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 337 | 4 | 1 | 9 | 2.0 | Nc1nc(-c2ccco2)c2nnn(Cc3cccc([N+](=O)[O-])c3)c2n1 | 10.1021/jm800961g | ||
| 137656644 | 159659 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 304 | 3 | 2 | 5 | 2.0 | CC1=C(C(=O)OC(C)C)C(c2ccsc2)N/C(=N/C#N)N1 | 10.1021/acs.jmedchem.7b00138 | ||
| CHEMBL4104142 | 159659 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 304 | 3 | 2 | 5 | 2.0 | CC1=C(C(=O)OC(C)C)C(c2ccsc2)N/C(=N/C#N)N1 | 10.1021/acs.jmedchem.7b00138 | ||
| 44281684 | 110387 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 445 | 8 | 2 | 6 | 3.6 | CCCn1c(=O)c2nc(-c3ccc(NC(=O)Cc4ccccc4)cc3)[nH]c2n(CCC)c1=O | 10.1021/jm0309654 | ||
| CHEMBL32447 | 110387 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 445 | 8 | 2 | 6 | 3.6 | CCCn1c(=O)c2nc(-c3ccc(NC(=O)Cc4ccccc4)cc3)[nH]c2n(CCC)c1=O | 10.1021/jm0309654 | ||
| 11091783 | 84192 | 0 | None | -1 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 460 | 6 | 2 | 11 | 2.6 | CCNc1c2c(nc(NC(=O)Cc3ccc4c(c3)OCO4)n3nc(-c4ccco4)nc23)nn1C | 10.1021/jm021023m | ||
| CHEMBL22085 | 84192 | 0 | None | -1 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 460 | 6 | 2 | 11 | 2.6 | CCNc1c2c(nc(NC(=O)Cc3ccc4c(c3)OCO4)n3nc(-c4ccco4)nc23)nn1C | 10.1021/jm021023m | ||
| 10659581 | 28774 | 0 | None | -33 | 6 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 269 | 2 | 1 | 8 | 1.3 | CCn1cc2c(nc(N)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm001047y | ||
| CHEMBL137879 | 28774 | 0 | None | -33 | 6 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 269 | 2 | 1 | 8 | 1.3 | CCn1cc2c(nc(N)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm001047y | ||
| 135874428 | 167538 | 0 | None | 7 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 479 | 9 | 2 | 9 | 2.5 | CCCn1c(=O)c2[nH]c(-c3cc(C)n(CC(=O)Nc4cccc(OC)c4)n3)nc2n(CCC)c1=O | 10.1016/j.bmc.2007.11.058 | ||
| CHEMBL430044 | 167538 | 0 | None | 7 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 479 | 9 | 2 | 9 | 2.5 | CCCn1c(=O)c2[nH]c(-c3cc(C)n(CC(=O)Nc4cccc(OC)c4)n3)nc2n(CCC)c1=O | 10.1016/j.bmc.2007.11.058 | ||
| 176407 | 4117 | 84 | None | -34 | 6 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 337 | 5 | 3 | 9 | 1.7 | Oc1ccc(cc1)CCNc1nc(N)n2c(n1)nc(n2)c1ccco1 | 10.1021/acs.jmedchem.0c00564 | ||
| 405 | 4117 | 84 | None | -34 | 6 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 337 | 5 | 3 | 9 | 1.7 | Oc1ccc(cc1)CCNc1nc(N)n2c(n1)nc(n2)c1ccco1 | 10.1021/acs.jmedchem.0c00564 | ||
| CHEMBL113142 | 4117 | 84 | None | -34 | 6 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 337 | 5 | 3 | 9 | 1.7 | Oc1ccc(cc1)CCNc1nc(N)n2c(n1)nc(n2)c1ccco1 | 10.1021/acs.jmedchem.0c00564 | ||
| DB08770 | 4117 | 84 | None | -34 | 6 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 337 | 5 | 3 | 9 | 1.7 | Oc1ccc(cc1)CCNc1nc(N)n2c(n1)nc(n2)c1ccco1 | 10.1021/acs.jmedchem.0c00564 | ||
| 176407 | 4117 | 84 | None | -34 | 6 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 337 | 5 | 3 | 9 | 1.7 | Oc1ccc(cc1)CCNc1nc(N)n2c(n1)nc(n2)c1ccco1 | 10.1021/acs.jmedchem.1c01636 | ||
| 405 | 4117 | 84 | None | -34 | 6 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 337 | 5 | 3 | 9 | 1.7 | Oc1ccc(cc1)CCNc1nc(N)n2c(n1)nc(n2)c1ccco1 | 10.1021/acs.jmedchem.1c01636 | ||
| CHEMBL113142 | 4117 | 84 | None | -34 | 6 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 337 | 5 | 3 | 9 | 1.7 | Oc1ccc(cc1)CCNc1nc(N)n2c(n1)nc(n2)c1ccco1 | 10.1021/acs.jmedchem.1c01636 | ||
| DB08770 | 4117 | 84 | None | -34 | 6 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 337 | 5 | 3 | 9 | 1.7 | Oc1ccc(cc1)CCNc1nc(N)n2c(n1)nc(n2)c1ccco1 | 10.1021/acs.jmedchem.1c01636 | ||
| 176407 | 4117 | 84 | None | -34 | 6 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 337 | 5 | 3 | 9 | 1.7 | Oc1ccc(cc1)CCNc1nc(N)n2c(n1)nc(n2)c1ccco1 | 10.1021/acs.jmedchem.5b01586 | ||
| 405 | 4117 | 84 | None | -34 | 6 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 337 | 5 | 3 | 9 | 1.7 | Oc1ccc(cc1)CCNc1nc(N)n2c(n1)nc(n2)c1ccco1 | 10.1021/acs.jmedchem.5b01586 | ||
| CHEMBL113142 | 4117 | 84 | None | -34 | 6 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 337 | 5 | 3 | 9 | 1.7 | Oc1ccc(cc1)CCNc1nc(N)n2c(n1)nc(n2)c1ccco1 | 10.1021/acs.jmedchem.5b01586 | ||
| DB08770 | 4117 | 84 | None | -34 | 6 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 337 | 5 | 3 | 9 | 1.7 | Oc1ccc(cc1)CCNc1nc(N)n2c(n1)nc(n2)c1ccco1 | 10.1021/acs.jmedchem.5b01586 | ||
| 176407 | 4117 | 84 | None | -34 | 6 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 337 | 5 | 3 | 9 | 1.7 | Oc1ccc(cc1)CCNc1nc(N)n2c(n1)nc(n2)c1ccco1 | 10.1021/acs.jmedchem.7b00138 | ||
| 405 | 4117 | 84 | None | -34 | 6 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 337 | 5 | 3 | 9 | 1.7 | Oc1ccc(cc1)CCNc1nc(N)n2c(n1)nc(n2)c1ccco1 | 10.1021/acs.jmedchem.7b00138 | ||
| CHEMBL113142 | 4117 | 84 | None | -34 | 6 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 337 | 5 | 3 | 9 | 1.7 | Oc1ccc(cc1)CCNc1nc(N)n2c(n1)nc(n2)c1ccco1 | 10.1021/acs.jmedchem.7b00138 | ||
| DB08770 | 4117 | 84 | None | -34 | 6 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 337 | 5 | 3 | 9 | 1.7 | Oc1ccc(cc1)CCNc1nc(N)n2c(n1)nc(n2)c1ccco1 | 10.1021/acs.jmedchem.7b00138 | ||
| 176407 | 4117 | 84 | None | -34 | 6 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 337 | 5 | 3 | 9 | 1.7 | Oc1ccc(cc1)CCNc1nc(N)n2c(n1)nc(n2)c1ccco1 | 10.1021/acs.jmedchem.0c01431 | ||
| 405 | 4117 | 84 | None | -34 | 6 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 337 | 5 | 3 | 9 | 1.7 | Oc1ccc(cc1)CCNc1nc(N)n2c(n1)nc(n2)c1ccco1 | 10.1021/acs.jmedchem.0c01431 | ||
| CHEMBL113142 | 4117 | 84 | None | -34 | 6 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 337 | 5 | 3 | 9 | 1.7 | Oc1ccc(cc1)CCNc1nc(N)n2c(n1)nc(n2)c1ccco1 | 10.1021/acs.jmedchem.0c01431 | ||
| DB08770 | 4117 | 84 | None | -34 | 6 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 337 | 5 | 3 | 9 | 1.7 | Oc1ccc(cc1)CCNc1nc(N)n2c(n1)nc(n2)c1ccco1 | 10.1021/acs.jmedchem.0c01431 | ||
| 176407 | 4117 | 84 | None | -34 | 6 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 337 | 5 | 3 | 9 | 1.7 | Oc1ccc(cc1)CCNc1nc(N)n2c(n1)nc(n2)c1ccco1 | 10.1021/acs.jmedchem.9b01340 | ||
| 405 | 4117 | 84 | None | -34 | 6 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 337 | 5 | 3 | 9 | 1.7 | Oc1ccc(cc1)CCNc1nc(N)n2c(n1)nc(n2)c1ccco1 | 10.1021/acs.jmedchem.9b01340 | ||
| CHEMBL113142 | 4117 | 84 | None | -34 | 6 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 337 | 5 | 3 | 9 | 1.7 | Oc1ccc(cc1)CCNc1nc(N)n2c(n1)nc(n2)c1ccco1 | 10.1021/acs.jmedchem.9b01340 | ||
| DB08770 | 4117 | 84 | None | -34 | 6 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 337 | 5 | 3 | 9 | 1.7 | Oc1ccc(cc1)CCNc1nc(N)n2c(n1)nc(n2)c1ccco1 | 10.1021/acs.jmedchem.9b01340 | ||
| 11496023 | 138712 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 446 | 7 | 1 | 7 | 3.0 | CCCn1c(=O)c2nc(-c3cnn(Cc4c(F)cc(F)cc4F)c3)[nH]c2n(CCC)c1=O | 10.1021/jm051268+ | ||
| CHEMBL378020 | 138712 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 446 | 7 | 1 | 7 | 3.0 | CCCn1c(=O)c2nc(-c3cnn(Cc4c(F)cc(F)cc4F)c3)[nH]c2n(CCC)c1=O | 10.1021/jm051268+ | ||
| 155563730 | 175384 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 334 | 3 | 2 | 4 | 2.9 | CC(C)OC(=O)C1=C(C(F)(F)F)NC(=O)NC1c1ccsc1 | 10.1021/acs.jmedchem.9b01340 | ||
| CHEMBL4575695 | 175384 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 334 | 3 | 2 | 4 | 2.9 | CC(C)OC(=O)C1=C(C(F)(F)F)NC(=O)NC1c1ccsc1 | 10.1021/acs.jmedchem.9b01340 | ||
| 44284710 | 100425 | 0 | None | -15 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 376 | 6 | 1 | 6 | 3.0 | CCCn1c(=O)c2nc(-c3ccc(Cl)cc3OC)[nH]c2n(CCC)c1=O | 10.1021/jm0104318 | ||
| CHEMBL290643 | 100425 | 0 | None | -15 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 376 | 6 | 1 | 6 | 3.0 | CCCn1c(=O)c2nc(-c3ccc(Cl)cc3OC)[nH]c2n(CCC)c1=O | 10.1021/jm0104318 | ||
| 4675559 | 103828 | 5 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 264 | 3 | 1 | 4 | 1.8 | CCOC(=O)C1=C(C)N(C)C(=O)NC1c1ccco1 | 10.1021/acs.jmedchem.0c01431 | ||
| CHEMBL3091714 | 103828 | 5 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 264 | 3 | 1 | 4 | 1.8 | CCOC(=O)C1=C(C)N(C)C(=O)NC1c1ccco1 | 10.1021/acs.jmedchem.0c01431 | ||
| 4675559 | 103828 | 5 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 264 | 3 | 1 | 4 | 1.8 | CCOC(=O)C1=C(C)N(C)C(=O)NC1c1ccco1 | 10.1021/ml400185v | ||
| CHEMBL3091714 | 103828 | 5 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 264 | 3 | 1 | 4 | 1.8 | CCOC(=O)C1=C(C)N(C)C(=O)NC1c1ccco1 | 10.1021/ml400185v | ||
| 162663283 | 181940 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 306 | 3 | 2 | 4 | 2.9 | CC1=C(C(=O)OC2CCCC2)C(c2ccsc2)NC(=O)N1 | 10.1021/acs.jmedchem.0c01431 | ||
| CHEMBL4780036 | 181940 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 306 | 3 | 2 | 4 | 2.9 | CC1=C(C(=O)OC2CCCC2)C(c2ccsc2)NC(=O)N1 | 10.1021/acs.jmedchem.0c01431 | ||
| 135529396 | 116551 | 0 | None | -1 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 571 | 9 | 2 | 9 | 3.4 | CC(C)Cn1c(=O)c2nc(-c3cc(OCC(=O)Nc4ccc(Br)cc4)n(C)n3)[nH]c2n(CC(C)C)c1=O | 10.1021/jm0309654 | ||
| CHEMBL33653 | 116551 | 0 | None | -1 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 571 | 9 | 2 | 9 | 3.4 | CC(C)Cn1c(=O)c2nc(-c3cc(OCC(=O)Nc4ccc(Br)cc4)n(C)n3)[nH]c2n(CC(C)C)c1=O | 10.1021/jm0309654 | ||
| 11590025 | 73386 | 0 | None | 6 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 429 | 10 | 1 | 8 | 2.2 | CCOC(=O)COc1ccc(-c2cc3c([nH]2)c(=O)n(CC)c(=O)n3CCCOC)cc1 | 10.1021/jm0506221 | ||
| CHEMBL201650 | 73386 | 0 | None | 6 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 429 | 10 | 1 | 8 | 2.2 | CCOC(=O)COc1ccc(-c2cc3c([nH]2)c(=O)n(CC)c(=O)n3CCCOC)cc1 | 10.1021/jm0506221 | ||
| 145993107 | 166886 | 0 | None | -1 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 593 | 15 | 1 | 10 | 3.0 | CCCCn1c(=O)c2c(nc3n2CCCN3CCc2ccc(OCC(=O)NCCN3CCCC3)cc2)n(CCCC)c1=O | 10.1039/C8MD00070K | ||
| CHEMBL4286455 | 166886 | 0 | None | -1 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 593 | 15 | 1 | 10 | 3.0 | CCCCn1c(=O)c2c(nc3n2CCCN3CCc2ccc(OCC(=O)NCCN3CCCC3)cc2)n(CCCC)c1=O | 10.1039/C8MD00070K | ||
| 127043663 | 141200 | 0 | None | -1 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 411 | 7 | 1 | 8 | 2.3 | CCCn1c(=O)c2c(nc3n2CCCN3CCc2ccc(O)cc2)n(CCC)c1=O | 10.1016/j.bmc.2016.07.028 | ||
| CHEMBL3828658 | 141200 | 0 | None | -1 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 411 | 7 | 1 | 8 | 2.3 | CCCn1c(=O)c2c(nc3n2CCCN3CCc2ccc(O)cc2)n(CCC)c1=O | 10.1016/j.bmc.2016.07.028 | ||
| 162667742 | 182380 | 0 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 312 | 4 | 2 | 4 | 2.7 | CC1=C(C(=O)OCc2ccccc2)C(c2ccoc2)NC(=O)N1 | 10.1021/acs.jmedchem.0c01431 | ||
| CHEMBL4785576 | 182380 | 0 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 312 | 4 | 2 | 4 | 2.7 | CC1=C(C(=O)OCc2ccccc2)C(c2ccoc2)NC(=O)N1 | 10.1021/acs.jmedchem.0c01431 | ||
| 135409793 | 16440 | 0 | None | -5248 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 335 | 5 | 1 | 6 | 3.1 | CCCCc1nc2[nH]cnc2c2nc(-c3ccc(N(C)C)cc3)nn12 | 10.1021/jm010570p | ||
| CHEMBL123462 | 16440 | 0 | None | -5248 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 335 | 5 | 1 | 6 | 3.1 | CCCCc1nc2[nH]cnc2c2nc(-c3ccc(N(C)C)cc3)nn12 | 10.1021/jm010570p | ||
| 11483771 | 195695 | 0 | None | -19 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 312 | 4 | 2 | 5 | 2.4 | Nc1nc(C(=O)NCc2ccccc2F)cc(-c2ccco2)n1 | 10.1016/j.bmcl.2009.03.142 | ||
| CHEMBL557084 | 195695 | 0 | None | -19 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 312 | 4 | 2 | 5 | 2.4 | Nc1nc(C(=O)NCc2ccccc2F)cc(-c2ccco2)n1 | 10.1016/j.bmcl.2009.03.142 | ||
| 71570217 | 86118 | 0 | None | -23 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 349 | 5 | 1 | 5 | 3.8 | COc1cccc(-c2cc(NC(C)=O)nc(-c3cccc(OC)c3)n2)c1 | 10.1016/j.ejmech.2012.11.010 | ||
| CHEMBL2311741 | 86118 | 0 | None | -23 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 349 | 5 | 1 | 5 | 3.8 | COc1cccc(-c2cc(NC(C)=O)nc(-c3cccc(OC)c3)n2)c1 | 10.1016/j.ejmech.2012.11.010 | ||
| 44452536 | 95866 | 0 | None | -16 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 309 | 4 | 2 | 7 | 2.3 | CC(O)CNc1nc2ccccc2n2nc(-c3ccco3)nc12 | 10.1016/j.bmc.2007.10.103 | ||
| CHEMBL259178 | 95866 | 0 | None | -16 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 309 | 4 | 2 | 7 | 2.3 | CC(O)CNc1nc2ccccc2n2nc(-c3ccco3)nc12 | 10.1016/j.bmc.2007.10.103 | ||
| 44588394 | 175325 | 0 | None | -26 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 327 | 5 | 1 | 6 | 2.7 | CCCn1c(=O)c2c(cc(-c3ccccc3)n2O)n(CCC)c1=O | 10.1016/j.bmc.2008.09.067 | ||
| CHEMBL457441 | 175325 | 0 | None | -26 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 327 | 5 | 1 | 6 | 2.7 | CCCn1c(=O)c2c(cc(-c3ccccc3)n2O)n(CCC)c1=O | 10.1016/j.bmc.2008.09.067 | ||
| 52948671 | 19281 | 0 | None | 5 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 520 | 11 | 1 | 5 | 4.8 | COCCCNC(=O)COc1ccc2c(c1)c(CCc1ccccc1)c(-c1ccc(F)cc1F)c(=O)n2C | 10.1016/j.bmcl.2010.10.030 | ||
| CHEMBL1290544 | 19281 | 0 | None | 5 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 520 | 11 | 1 | 5 | 4.8 | COCCCNC(=O)COc1ccc2c(c1)c(CCc1ccccc1)c(-c1ccc(F)cc1F)c(=O)n2C | 10.1016/j.bmcl.2010.10.030 | ||
| 71680730 | 90181 | 0 | None | -10 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 338 | 4 | 1 | 5 | 3.3 | COc1cccc(/C=C/C(=O)Nc2nc3ccccc3c(=O)s2)c1 | 10.1021/jm400336x | ||
| CHEMBL2382431 | 90181 | 0 | None | -10 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 338 | 4 | 1 | 5 | 3.3 | COc1cccc(/C=C/C(=O)Nc2nc3ccccc3c(=O)s2)c1 | 10.1021/jm400336x | ||
| 44588393 | 176315 | 0 | None | 10 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 349 | 2 | 2 | 7 | 0.3 | Cn1c(=O)c2[nH]c(-c3ccc(S(C)(=O)=O)cc3)c(O)c2n(C)c1=O | 10.1016/j.bmc.2008.09.067 | ||
| CHEMBL459553 | 176315 | 0 | None | 10 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 349 | 2 | 2 | 7 | 0.3 | Cn1c(=O)c2[nH]c(-c3ccc(S(C)(=O)=O)cc3)c(O)c2n(C)c1=O | 10.1016/j.bmc.2008.09.067 | ||
| 156014270 | 177193 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 354 | 3 | 1 | 7 | 3.7 | CC1=C(C(=O)OC(C)C)C(c2cncs2)n2c(nc3ccccc32)N1 | 10.1021/acs.jmedchem.0c00564 | ||
| CHEMBL4635502 | 177193 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 354 | 3 | 1 | 7 | 3.7 | CC1=C(C(=O)OC(C)C)C(c2cncs2)n2c(nc3ccccc32)N1 | 10.1021/acs.jmedchem.0c00564 | ||
| 127038752 | 136720 | 0 | None | -74 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 466 | 7 | 4 | 13 | 0.5 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(N)nc(NC(C)Cc5ccccc5)nc43)[C@H](O)[C@@H]2O)n1 | 10.1039/C5MD00086F | ||
| CHEMBL3740959 | 136720 | 0 | None | -74 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 466 | 7 | 4 | 13 | 0.5 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(N)nc(NC(C)Cc5ccccc5)nc43)[C@H](O)[C@@H]2O)n1 | 10.1039/C5MD00086F | ||
| 10065148 | 99087 | 0 | None | -33 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 329 | 4 | 1 | 9 | 2.4 | CCCSc1c2c(nc(N)n3nc(-c4ccco4)nc23)nn1C | 10.1021/jm021023m | ||
| CHEMBL280888 | 99087 | 0 | None | -33 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 329 | 4 | 1 | 9 | 2.4 | CCCSc1c2c(nc(N)n3nc(-c4ccco4)nc23)nn1C | 10.1021/jm021023m | ||
| 136383804 | 158072 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 560 | 9 | 1 | 9 | 3.8 | CCCn1c(=O)c2[nH]c(-c3cc(OCC4CC(=O)N(c5cccc(C(F)(F)F)c5)C4)no3)nc2n(CCC)c1=O | 10.1016/j.ejmech.2016.11.007 | ||
| CHEMBL4086551 | 158072 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 560 | 9 | 1 | 9 | 3.8 | CCCn1c(=O)c2[nH]c(-c3cc(OCC4CC(=O)N(c5cccc(C(F)(F)F)c5)C4)no3)nc2n(CCC)c1=O | 10.1016/j.ejmech.2016.11.007 | ||
| 11537425 | 85353 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 341 | 4 | 1 | 8 | 3.2 | N#Cc1cncc(Nc2ncc(-c3ccncn3)c(-c3ccco3)n2)c1 | 10.1021/jm061333v | ||
| CHEMBL226237 | 85353 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 341 | 4 | 1 | 8 | 3.2 | N#Cc1cncc(Nc2ncc(-c3ccncn3)c(-c3ccco3)n2)c1 | 10.1021/jm061333v | ||
| 11711753 | 166199 | 0 | None | 15 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 434 | 6 | 2 | 7 | 2.3 | COc1cc(OCC(=O)Nc2ccccc2)ccc1-c1cc2c([nH]1)c(=O)n(C)c(=O)n2C | 10.1021/jm0506221 | ||
| CHEMBL426660 | 166199 | 0 | None | 15 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 434 | 6 | 2 | 7 | 2.3 | COc1cc(OCC(=O)Nc2ccccc2)ccc1-c1cc2c([nH]1)c(=O)n(C)c(=O)n2C | 10.1021/jm0506221 | ||
| 44451018 | 160562 | 0 | None | 3 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 535 | 7 | 1 | 7 | 3.5 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(c5ccccc5Cl)CC4)cc3)cc2n(C)c1=O | 10.1016/j.bmc.2008.01.002 | ||
| CHEMBL411275 | 160562 | 0 | None | 3 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 535 | 7 | 1 | 7 | 3.5 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(c5ccccc5Cl)CC4)cc3)cc2n(C)c1=O | 10.1016/j.bmc.2008.01.002 | ||
| 10861697 | 103011 | 0 | None | 2 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 374 | 7 | 0 | 6 | 3.1 | CCCn1c(=O)c2c(nc(-c3ccccc3)n2CCCl)n(CCC)c1=O | 10.1021/jm0104318 | ||
| CHEMBL307105 | 103011 | 0 | None | 2 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 374 | 7 | 0 | 6 | 3.1 | CCCn1c(=O)c2c(nc(-c3ccccc3)n2CCCl)n(CCC)c1=O | 10.1021/jm0104318 | ||
| 265603 | 162561 | 9 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 301 | 2 | 1 | 7 | 0.5 | Cn1c(=O)c2nc(-c3ccc([N+](=O)[O-])cc3)[nH]c2n(C)c1=O | 10.1021/jm0104318 | ||
| CHEMBL416884 | 162561 | 9 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 301 | 2 | 1 | 7 | 0.5 | Cn1c(=O)c2nc(-c3ccc([N+](=O)[O-])cc3)[nH]c2n(C)c1=O | 10.1021/jm0104318 | ||
| 137175186 | 139130 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 290 | 3 | 1 | 7 | 2.2 | CCOC(=O)C1=C(C)Nc2ncnn2C1c1ccsc1 | 10.1021/acs.jmedchem.5b01586 | ||
| CHEMBL3787179 | 139130 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 290 | 3 | 1 | 7 | 2.2 | CCOC(=O)C1=C(C)Nc2ncnn2C1c1ccsc1 | 10.1021/acs.jmedchem.5b01586 | ||
| 10226014 | 94562 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 452 | 6 | 2 | 9 | 2.4 | CCCn1c(=O)[nH]c2nc(-c3cnn(Cc4noc(-c5ccc(Cl)cc5)n4)c3)[nH]c2c1=O | 10.1021/acs.jmedchem.5b01586 | ||
| CHEMBL252048 | 94562 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 452 | 6 | 2 | 9 | 2.4 | CCCn1c(=O)[nH]c2nc(-c3cnn(Cc4noc(-c5ccc(Cl)cc5)n4)c3)[nH]c2c1=O | 10.1021/acs.jmedchem.5b01586 | ||
| 10226014 | 94562 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 452 | 6 | 2 | 9 | 2.4 | CCCn1c(=O)[nH]c2nc(-c3cnn(Cc4noc(-c5ccc(Cl)cc5)n4)c3)[nH]c2c1=O | 10.1016/j.bmcl.2008.01.008 | ||
| CHEMBL252048 | 94562 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 452 | 6 | 2 | 9 | 2.4 | CCCn1c(=O)[nH]c2nc(-c3cnn(Cc4noc(-c5ccc(Cl)cc5)n4)c3)[nH]c2c1=O | 10.1016/j.bmcl.2008.01.008 | ||
| 46880333 | 6273 | 0 | None | 29 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 279 | 3 | 1 | 4 | 3.4 | CC(=O)Nc1ccc(-c2ccncc2)c(-c2ccco2)n1 | 10.1016/j.bmcl.2010.01.045 | ||
| CHEMBL1081811 | 6273 | 0 | None | 29 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 279 | 3 | 1 | 4 | 3.4 | CC(=O)Nc1ccc(-c2ccncc2)c(-c2ccco2)n1 | 10.1016/j.bmcl.2010.01.045 | ||
| 135678052 | 95748 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 483 | 8 | 2 | 8 | 3.2 | CCCn1c(=O)c2[nH]c(-c3cc(C)n(CC(=O)Nc4ccc(Cl)cc4)n3)nc2n(CCC)c1=O | 10.1016/j.bmc.2007.11.058 | ||
| CHEMBL258571 | 95748 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 483 | 8 | 2 | 8 | 3.2 | CCCn1c(=O)c2[nH]c(-c3cc(C)n(CC(=O)Nc4ccc(Cl)cc4)n3)nc2n(CCC)c1=O | 10.1016/j.bmc.2007.11.058 | ||
| 145964662 | 164414 | 0 | None | 3 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 433 | 8 | 3 | 6 | 2.2 | CCCn1c(=O)[nH]c2nc(-c3ccc(OCC(=O)NCc4ccccc4)cc3)[nH]c2c1=O | 10.1021/acs.jmedchem.7b01627 | ||
| CHEMBL4213768 | 164414 | 0 | None | 3 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 433 | 8 | 3 | 6 | 2.2 | CCCn1c(=O)[nH]c2nc(-c3ccc(OCC(=O)NCc4ccccc4)cc3)[nH]c2c1=O | 10.1021/acs.jmedchem.7b01627 | ||
| 21916389 | 95897 | 0 | None | 4 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 394 | 5 | 1 | 7 | 1.9 | Cn1c(=O)n(CC2CC2)c(=O)c2[nH]c(-c3cnn(Cc4cccc(F)c4)c3)nc21 | 10.1021/jm7014815 | ||
| CHEMBL259300 | 95897 | 0 | None | 4 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 394 | 5 | 1 | 7 | 1.9 | Cn1c(=O)n(CC2CC2)c(=O)c2[nH]c(-c3cnn(Cc4cccc(F)c4)c3)nc21 | 10.1021/jm7014815 | ||
| 49797747 | 10587 | 0 | None | 10 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 482 | 6 | 1 | 7 | 3.4 | CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(C(=O)N4CCOCC4)cc3)sc12 | 10.1016/j.bmcl.2010.05.056 | ||
| CHEMBL1170134 | 10587 | 0 | None | 10 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 482 | 6 | 1 | 7 | 3.4 | CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(C(=O)N4CCOCC4)cc3)sc12 | 10.1016/j.bmcl.2010.05.056 | ||
| 155551750 | 175364 | 0 | None | 44 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 626 | 14 | 2 | 10 | 2.0 | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc(OCCOCCOC)cc5)CC4)cc3)[nH]c2c1=O | 10.1021/acs.jmedchem.9b00071 | ||
| CHEMBL4575279 | 175364 | 0 | None | 44 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 626 | 14 | 2 | 10 | 2.0 | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc(OCCOCCOC)cc5)CC4)cc3)[nH]c2c1=O | 10.1021/acs.jmedchem.9b00071 | ||
| 44451271 | 95746 | 0 | None | 45 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 542 | 5 | 1 | 8 | 2.7 | Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(c5c(Cl)cncc5Cl)CC4)cc3)cc2n(C)c1=O | 10.1016/j.bmc.2008.01.002 | ||
| CHEMBL258568 | 95746 | 0 | None | 45 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 542 | 5 | 1 | 8 | 2.7 | Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(c5c(Cl)cncc5Cl)CC4)cc3)cc2n(C)c1=O | 10.1016/j.bmc.2008.01.002 | ||
| 44574194 | 178404 | 0 | None | 2 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 460 | 8 | 2 | 6 | 4.7 | CCCn1c(=O)c2[nH]c(-c3ccc(COC(=O)Nc4ccccc4)cc3)cc2n(CCC)c1=O | 10.1016/j.bmc.2009.03.062 | ||
| CHEMBL466021 | 178404 | 0 | None | 2 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 460 | 8 | 2 | 6 | 4.7 | CCCn1c(=O)c2[nH]c(-c3ccc(COC(=O)Nc4ccccc4)cc3)cc2n(CCC)c1=O | 10.1016/j.bmc.2009.03.062 | ||
| 155566764 | 175849 | 0 | None | 41 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 508 | 6 | 2 | 7 | 2.4 | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(c5ccccc5)C(C)C4)cc3)[nH]c2c1=O | 10.1021/acs.jmedchem.9b00071 | ||
| CHEMBL4586090 | 175849 | 0 | None | 41 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 508 | 6 | 2 | 7 | 2.4 | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(c5ccccc5)C(C)C4)cc3)[nH]c2c1=O | 10.1021/acs.jmedchem.9b00071 | ||
| 44450828 | 157671 | 0 | None | 44 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 472 | 6 | 1 | 6 | 3.1 | CCCn1c(=O)n(C)c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCc5ccccc5C4)cc3)cc21 | 10.1016/j.bmc.2008.01.002 | ||
| CHEMBL408185 | 157671 | 0 | None | 44 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 472 | 6 | 1 | 6 | 3.1 | CCCn1c(=O)n(C)c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCc5ccccc5C4)cc3)cc21 | 10.1016/j.bmc.2008.01.002 | ||
| 44236602 | 159010 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 420 | 5 | 1 | 7 | 2.4 | CCCn1c(=O)c2[nH]c(-c3cnn(CC#Cc4ccc(F)cc4)c3)nc2n(CC)c1=O | 10.1016/j.ejmech.2017.04.014 | ||
| CHEMBL4096746 | 159010 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 420 | 5 | 1 | 7 | 2.4 | CCCn1c(=O)c2[nH]c(-c3cnn(CC#Cc4ccc(F)cc4)c3)nc2n(CC)c1=O | 10.1016/j.ejmech.2017.04.014 | ||
| 44236571 | 155792 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 420 | 5 | 1 | 7 | 2.4 | CCCn1c(=O)c2[nH]c(-c3cnn(CC#Cc4cccc(F)c4)c3)nc2n(CC)c1=O | 10.1016/j.ejmech.2017.04.014 | ||
| CHEMBL4059836 | 155792 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 420 | 5 | 1 | 7 | 2.4 | CCCn1c(=O)c2[nH]c(-c3cnn(CC#Cc4cccc(F)c4)c3)nc2n(CC)c1=O | 10.1016/j.ejmech.2017.04.014 | ||
| 44451072 | 96011 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 543 | 9 | 1 | 7 | 4.0 | CCCn1c(=O)n(CC(C)C)c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(c5ccccc5)CC4)cc3)cc21 | 10.1016/j.bmc.2008.01.002 | ||
| CHEMBL259874 | 96011 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 543 | 9 | 1 | 7 | 4.0 | CCCn1c(=O)n(CC(C)C)c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(c5ccccc5)CC4)cc3)cc21 | 10.1016/j.bmc.2008.01.002 | ||
| 44551168 | 201752 | 0 | None | 11 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 370 | 5 | 0 | 8 | 2.2 | CCn1c(=O)c2c(nc(Cc3cccs3)n2C)n(Cc2ccco2)c1=O | 10.1016/j.bmc.2009.07.034 | ||
| CHEMBL606753 | 201752 | 0 | None | 11 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 370 | 5 | 0 | 8 | 2.2 | CCn1c(=O)c2c(nc(Cc3cccs3)n2C)n(Cc2ccco2)c1=O | 10.1016/j.bmc.2009.07.034 | ||
| 145976828 | 163654 | 0 | None | 1 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 447 | 9 | 3 | 6 | 2.2 | CCCn1c(=O)[nH]c2nc(-c3ccc(OCC(=O)NCCc4ccccc4)cc3)[nH]c2c1=O | 10.1021/acs.jmedchem.7b01627 | ||
| CHEMBL4204683 | 163654 | 0 | None | 1 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 447 | 9 | 3 | 6 | 2.2 | CCCn1c(=O)[nH]c2nc(-c3ccc(OCC(=O)NCCc4ccccc4)cc3)[nH]c2c1=O | 10.1021/acs.jmedchem.7b01627 | ||
| 44185932 | 191595 | 0 | None | 11 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 508 | 7 | 2 | 7 | 1.6 | CCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(CCc5ccccc5)CC4)cc3)[nH]c2c1=O | 10.1021/jm900413e | ||
| CHEMBL519556 | 191595 | 0 | None | 11 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 508 | 7 | 2 | 7 | 1.6 | CCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(CCc5ccccc5)CC4)cc3)[nH]c2c1=O | 10.1021/jm900413e | ||
| 66894103 | 156537 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 569 | 9 | 1 | 7 | 4.8 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC4CC(=O)N(c5cccc(C(F)(F)F)c5)C4)cc3)nc2n(CCC)c1=O | 10.1016/j.ejmech.2016.11.007 | ||
| CHEMBL4068421 | 156537 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 569 | 9 | 1 | 7 | 4.8 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC4CC(=O)N(c5cccc(C(F)(F)F)c5)C4)cc3)nc2n(CCC)c1=O | 10.1016/j.ejmech.2016.11.007 | ||
| 56951623 | 71144 | 0 | None | 18 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 331 | 5 | 2 | 6 | 1.0 | CCCn1c(=O)c2[nH]c(-c3cc(=O)[nH]n3C)cc2n(CCC)c1=O | 10.1021/jm201292w | ||
| CHEMBL1955923 | 71144 | 0 | None | 18 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 331 | 5 | 2 | 6 | 1.0 | CCCn1c(=O)c2[nH]c(-c3cc(=O)[nH]n3C)cc2n(CCC)c1=O | 10.1021/jm201292w | ||
| 44185933 | 186685 | 0 | None | 35 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 522 | 8 | 2 | 7 | 2.0 | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(CCc5ccccc5)CC4)cc3)[nH]c2c1=O | 10.1021/jm900413e | ||
| CHEMBL488541 | 186685 | 0 | None | 35 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 522 | 8 | 2 | 7 | 2.0 | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(CCc5ccccc5)CC4)cc3)[nH]c2c1=O | 10.1021/jm900413e | ||
| 44450850 | 95818 | 0 | None | 9 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 598 | 9 | 1 | 8 | 4.4 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(c5c(Cl)cncc5Cl)CC4)cc3)cc2n(CCC)c1=O | 10.1016/j.bmc.2008.01.002 | ||
| CHEMBL258979 | 95818 | 0 | None | 9 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 598 | 9 | 1 | 8 | 4.4 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(c5c(Cl)cncc5Cl)CC4)cc3)cc2n(CCC)c1=O | 10.1016/j.bmc.2008.01.002 | ||
| 11498113 | 73000 | 0 | None | 6 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 607 | 12 | 2 | 8 | 3.9 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(CS(=O)(=O)N5CCCC5)cc4)cc3)cc2n(CCC)c1=O | 10.1021/jm0506221 | ||
| CHEMBL201008 | 73000 | 0 | None | 6 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 607 | 12 | 2 | 8 | 3.9 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(CS(=O)(=O)N5CCCC5)cc4)cc3)cc2n(CCC)c1=O | 10.1021/jm0506221 | ||
| 11664137 | 73270 | 0 | None | 4 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 565 | 10 | 2 | 6 | 4.3 | CCCn1c(=O)c2[nH]c(-c3ccc(N(C=O)CC(=O)Nc4ccc(Br)cc4)cc3)cc2n(CCC)c1=O | 10.1021/jm0506221 | ||
| CHEMBL201293 | 73270 | 0 | None | 4 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 565 | 10 | 2 | 6 | 4.3 | CCCn1c(=O)c2[nH]c(-c3ccc(N(C=O)CC(=O)Nc4ccc(Br)cc4)cc3)cc2n(CCC)c1=O | 10.1021/jm0506221 | ||
| 11604435 | 74996 | 0 | None | 23 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 432 | 7 | 2 | 6 | 3.2 | CCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccccc4)cc3)cc2n(CC)c1=O | 10.1021/jm0506221 | ||
| CHEMBL203413 | 74996 | 0 | None | 23 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 432 | 7 | 2 | 6 | 3.2 | CCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccccc4)cc3)cc2n(CC)c1=O | 10.1021/jm0506221 | ||
| 137640112 | 156658 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 488 | 8 | 1 | 9 | 2.8 | CCCn1c(=O)c2[nH]c(-c3cnn(CC#Cc4ccccc4C(=O)OCC)c3)nc2n(CCC)c1=O | 10.1016/j.ejmech.2017.04.014 | ||
| CHEMBL4069730 | 156658 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 488 | 8 | 1 | 9 | 2.8 | CCCn1c(=O)c2[nH]c(-c3cnn(CC#Cc4ccccc4C(=O)OCC)c3)nc2n(CCC)c1=O | 10.1016/j.ejmech.2017.04.014 | ||
| 44574225 | 178569 | 0 | None | 4 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 462 | 8 | 2 | 8 | 3.5 | CCCn1c(=O)c2[nH]c(-c3ccc(COC(=O)Nc4cnccn4)cc3)cc2n(CCC)c1=O | 10.1016/j.bmc.2009.03.062 | ||
| CHEMBL467271 | 178569 | 0 | None | 4 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 462 | 8 | 2 | 8 | 3.5 | CCCn1c(=O)c2[nH]c(-c3ccc(COC(=O)Nc4cnccn4)cc3)cc2n(CCC)c1=O | 10.1016/j.bmc.2009.03.062 | ||
| 145973326 | 164700 | 0 | None | 29 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 729 | 17 | 3 | 7 | 7.0 | CCCn1c(=O)[nH]c2nc(-c3ccc(OCC(=O)NCCCCCCCCCCC4=C5C(C)=CC(C)=[N+]5[B-](F)(F)n5c(C)cc(C)c54)cc3)[nH]c2c1=O | 10.1021/acs.jmedchem.7b01627 | ||
| CHEMBL4217459 | 164700 | 0 | None | 29 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 729 | 17 | 3 | 7 | 7.0 | CCCn1c(=O)[nH]c2nc(-c3ccc(OCC(=O)NCCCCCCCCCCC4=C5C(C)=CC(C)=[N+]5[B-](F)(F)n5c(C)cc(C)c54)cc3)[nH]c2c1=O | 10.1021/acs.jmedchem.7b01627 | ||
| 11562203 | 73121 | 0 | None | 6 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 488 | 9 | 2 | 6 | 4.8 | CCCn1c(=O)c2[nH]c(-c3ccc(OC(C)(C)C(=O)Nc4ccccc4)cc3)cc2n(CCC)c1=O | 10.1021/jm0506221 | ||
| CHEMBL201157 | 73121 | 0 | None | 6 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 488 | 9 | 2 | 6 | 4.8 | CCCn1c(=O)c2[nH]c(-c3ccc(OC(C)(C)C(=O)Nc4ccccc4)cc3)cc2n(CCC)c1=O | 10.1021/jm0506221 | ||
| 44406891 | 73514 | 0 | None | 10 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 516 | 9 | 2 | 6 | 5.3 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(C(C)(C)C)cc4)cc3)cc2n(CCC)c1=O | 10.1021/jm0506221 | ||
| CHEMBL201749 | 73514 | 0 | None | 10 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 516 | 9 | 2 | 6 | 5.3 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(C(C)(C)C)cc4)cc3)cc2n(CCC)c1=O | 10.1021/jm0506221 | ||
| 10720065 | 98369 | 0 | None | 1 | 6 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 495 | 9 | 2 | 7 | 4.0 | CCCn1c(=O)c2nc(-c3ccc(OCC(=O)Nc4ccc(Cl)cc4)cc3)[nH]c2n(CCC)c1=O | 10.1021/jm0506221 | ||
| CHEMBL275427 | 98369 | 0 | None | 1 | 6 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 495 | 9 | 2 | 7 | 4.0 | CCCn1c(=O)c2nc(-c3ccc(OCC(=O)Nc4ccc(Cl)cc4)cc3)[nH]c2n(CCC)c1=O | 10.1021/jm0506221 | ||
| 168296088 | 192342 | 1 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 352 | 4 | 2 | 6 | 1.1 | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)F)cc3)[nH]c2c1=O | 10.1039/d2md00132b | ||
| CHEMBL5207290 | 192342 | 1 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 352 | 4 | 2 | 6 | 1.1 | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)F)cc3)[nH]c2c1=O | 10.1039/d2md00132b | ||
| 11784407 | 97203 | 0 | None | 6 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 364 | 5 | 3 | 6 | 1.1 | CCCCn1c(=O)[nH]c2[nH]c(-c3ccc(S(=O)(=O)O)cc3)nc2c1=O | 10.1021/jm0310030 | ||
| CHEMBL268617 | 97203 | 0 | None | 6 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 364 | 5 | 3 | 6 | 1.1 | CCCCn1c(=O)[nH]c2[nH]c(-c3ccc(S(=O)(=O)O)cc3)nc2c1=O | 10.1021/jm0310030 | ||
| CHEMBL36952 | 97203 | 0 | None | 6 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 364 | 5 | 3 | 6 | 1.1 | CCCCn1c(=O)[nH]c2[nH]c(-c3ccc(S(=O)(=O)O)cc3)nc2c1=O | 10.1021/jm0310030 | ||
| 135465776 | 99692 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 470 | 9 | 2 | 9 | 2.5 | CCCn1c(=O)c2nc(-c3cc(OCC(=O)Nc4ccc(F)cc4)no3)[nH]c2n(CCC)c1=O | 10.1021/jm0309654 | ||
| CHEMBL284789 | 99692 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 470 | 9 | 2 | 9 | 2.5 | CCCn1c(=O)c2nc(-c3cc(OCC(=O)Nc4ccc(F)cc4)no3)[nH]c2n(CCC)c1=O | 10.1021/jm0309654 | ||
| 10647227 | 165430 | 0 | None | -3 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 450 | 6 | 2 | 8 | 4.8 | CCCCn1cc2c(nc(NC(=O)Nc3cccc(Cl)c3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm001047y | ||
| CHEMBL423934 | 165430 | 0 | None | -3 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 450 | 6 | 2 | 8 | 4.8 | CCCCn1cc2c(nc(NC(=O)Nc3cccc(Cl)c3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm001047y | ||
| 10647227 | 165430 | 0 | None | -3 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 450 | 6 | 2 | 8 | 4.8 | CCCCn1cc2c(nc(NC(=O)Nc3cccc(Cl)c3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm0109614 | ||
| CHEMBL423934 | 165430 | 0 | None | -3 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 450 | 6 | 2 | 8 | 4.8 | CCCCn1cc2c(nc(NC(=O)Nc3cccc(Cl)c3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm0109614 | ||
| 52946114 | 19241 | 0 | None | 2 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 525 | 9 | 2 | 6 | 5.7 | CC(C)(NC(=O)COc1ccc2[nH]c(=O)c(-c3nccs3)c(COc3ccccc3)c2c1)c1ccccc1 | 10.1016/j.bmcl.2010.10.030 | ||
| CHEMBL1290325 | 19241 | 0 | None | 2 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 525 | 9 | 2 | 6 | 5.7 | CC(C)(NC(=O)COc1ccc2[nH]c(=O)c(-c3nccs3)c(COc3ccccc3)c2c1)c1ccccc1 | 10.1016/j.bmcl.2010.10.030 | ||
| 52945098 | 19321 | 0 | None | -1 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 504 | 9 | 1 | 6 | 3.4 | Cn1c(=O)c(S(C)(=O)=O)c(CCc2ccccc2)c2cc(OCC(=O)NCc3ccccc3)ccc21 | 10.1016/j.bmcl.2010.10.030 | ||
| CHEMBL1290782 | 19321 | 0 | None | -1 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 504 | 9 | 1 | 6 | 3.4 | Cn1c(=O)c(S(C)(=O)=O)c(CCc2ccccc2)c2cc(OCC(=O)NCc3ccccc3)ccc21 | 10.1016/j.bmcl.2010.10.030 | ||
| 11784407 | 97203 | 0 | None | 6 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 364 | 5 | 3 | 6 | 1.1 | CCCCn1c(=O)[nH]c2[nH]c(-c3ccc(S(=O)(=O)O)cc3)nc2c1=O | 10.1021/jm011049y | ||
| CHEMBL268617 | 97203 | 0 | None | 6 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 364 | 5 | 3 | 6 | 1.1 | CCCCn1c(=O)[nH]c2[nH]c(-c3ccc(S(=O)(=O)O)cc3)nc2c1=O | 10.1021/jm011049y | ||
| CHEMBL36952 | 97203 | 0 | None | 6 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 364 | 5 | 3 | 6 | 1.1 | CCCCn1c(=O)[nH]c2[nH]c(-c3ccc(S(=O)(=O)O)cc3)nc2c1=O | 10.1021/jm011049y | ||
| 135515507 | 34094 | 0 | None | -4 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 394 | 3 | 3 | 7 | 3.6 | O=C(Nc1cccc(Cl)c1)Nc1nc2n[nH]cc2c2nc(-c3ccco3)nn12 | 10.1021/jm001047y | ||
| CHEMBL142562 | 34094 | 0 | None | -4 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 394 | 3 | 3 | 7 | 3.6 | O=C(Nc1cccc(Cl)c1)Nc1nc2n[nH]cc2c2nc(-c3ccco3)nn12 | 10.1021/jm001047y | ||
| 45269769 | 196550 | 0 | None | 7 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 404 | 7 | 1 | 6 | 3.3 | CCn1c(=O)c2[nH]c(-c3ccc(-c4ccccc4)cc3)nc2n(CCCOC)c1=O | 10.1016/j.bmc.2009.03.029 | ||
| CHEMBL563889 | 196550 | 0 | None | 7 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 404 | 7 | 1 | 6 | 3.3 | CCn1c(=O)c2[nH]c(-c3ccc(-c4ccccc4)cc3)nc2n(CCCOC)c1=O | 10.1016/j.bmc.2009.03.029 | ||
| 11567699 | 73626 | 0 | None | 4 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 408 | 6 | 2 | 7 | 1.5 | Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NCc4ccco4)cc3)cc2n(C)c1=O | 10.1021/jm0506221 | ||
| CHEMBL201796 | 73626 | 0 | None | 4 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 408 | 6 | 2 | 7 | 1.5 | Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NCc4ccco4)cc3)cc2n(C)c1=O | 10.1021/jm0506221 | ||
| 44451128 | 161277 | 0 | None | 10 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 521 | 5 | 1 | 7 | 3.0 | CC(Oc1ccc(-c2cc3c([nH]2)c(=O)n(C)c(=O)n3C)cc1)C(=O)N1CCN(c2ccccc2Cl)CC1 | 10.1016/j.bmc.2008.01.002 | ||
| CHEMBL412275 | 161277 | 0 | None | 10 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 521 | 5 | 1 | 7 | 3.0 | CC(Oc1ccc(-c2cc3c([nH]2)c(=O)n(C)c(=O)n3C)cc1)C(=O)N1CCN(c2ccccc2Cl)CC1 | 10.1016/j.bmc.2008.01.002 | ||
| 168281755 | 190881 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 368 | 5 | 2 | 7 | 1.1 | CCCn1c(=O)[nH]c2nc(-c3cccc(OS(=O)(=O)F)c3)[nH]c2c1=O | 10.1039/d2md00132b | ||
| CHEMBL5185103 | 190881 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 368 | 5 | 2 | 7 | 1.1 | CCCn1c(=O)[nH]c2nc(-c3cccc(OS(=O)(=O)F)c3)[nH]c2c1=O | 10.1039/d2md00132b | ||
| 21958702 | 129629 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 500 | 9 | 1 | 9 | 4.3 | CCCn1c(=O)c2nc(-c3ccc(OCc4noc(-c5cccc(C)c5)n4)cc3)[nH]c2n(CCC)c1=O | 10.1016/j.bmcl.2004.11.044 | ||
| CHEMBL367351 | 129629 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 500 | 9 | 1 | 9 | 4.3 | CCCn1c(=O)c2nc(-c3ccc(OCc4noc(-c5cccc(C)c5)n4)cc3)[nH]c2n(CCC)c1=O | 10.1016/j.bmcl.2004.11.044 | ||
| 11495641 | 139239 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 428 | 7 | 1 | 7 | 2.9 | CCCn1c(=O)c2nc(-c3cnn(Cc4ccc(F)cc4F)c3)[nH]c2n(CCC)c1=O | 10.1021/jm051268+ | ||
| CHEMBL379032 | 139239 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 428 | 7 | 1 | 7 | 2.9 | CCCn1c(=O)c2nc(-c3cnn(Cc4ccc(F)cc4F)c3)[nH]c2n(CCC)c1=O | 10.1021/jm051268+ | ||
| 11618368 | 3818 | 77 | None | -501 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 406 | 3 | 2 | 7 | 2.5 | COc1ccc(c2c1nc(s2)NC(=O)N1CCC(CC1)(C)O)N1CCOCC1 | 10.1021/acs.jmedchem.0c00237 | ||
| 5611 | 3818 | 77 | None | -501 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 406 | 3 | 2 | 7 | 2.5 | COc1ccc(c2c1nc(s2)NC(=O)N1CCC(CC1)(C)O)N1CCOCC1 | 10.1021/acs.jmedchem.0c00237 | ||
| CHEMBL2105747 | 3818 | 77 | None | -501 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 406 | 3 | 2 | 7 | 2.5 | COc1ccc(c2c1nc(s2)NC(=O)N1CCC(CC1)(C)O)N1CCOCC1 | 10.1021/acs.jmedchem.0c00237 | ||
| DB12203 | 3818 | 77 | None | -501 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 406 | 3 | 2 | 7 | 2.5 | COc1ccc(c2c1nc(s2)NC(=O)N1CCC(CC1)(C)O)N1CCOCC1 | 10.1021/acs.jmedchem.0c00237 | ||
| 11618368 | 3818 | 77 | None | -501 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 406 | 3 | 2 | 7 | 2.5 | COc1ccc(c2c1nc(s2)NC(=O)N1CCC(CC1)(C)O)N1CCOCC1 | 10.1021/jm4011669 | ||
| 5611 | 3818 | 77 | None | -501 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 406 | 3 | 2 | 7 | 2.5 | COc1ccc(c2c1nc(s2)NC(=O)N1CCC(CC1)(C)O)N1CCOCC1 | 10.1021/jm4011669 | ||
| CHEMBL2105747 | 3818 | 77 | None | -501 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 406 | 3 | 2 | 7 | 2.5 | COc1ccc(c2c1nc(s2)NC(=O)N1CCC(CC1)(C)O)N1CCOCC1 | 10.1021/jm4011669 | ||
| DB12203 | 3818 | 77 | None | -501 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 406 | 3 | 2 | 7 | 2.5 | COc1ccc(c2c1nc(s2)NC(=O)N1CCC(CC1)(C)O)N1CCOCC1 | 10.1021/jm4011669 | ||
| 2153 | 3771 | 115 | None | -21 | 14 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 180 | 0 | 1 | 5 | -1.0 | Cn1c(=O)n(C)c2c(c1=O)[nH]cn2 | 10.1016/j.bmcl.2004.11.044 | ||
| 2620 | 3771 | 115 | None | -21 | 14 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 180 | 0 | 1 | 5 | -1.0 | Cn1c(=O)n(C)c2c(c1=O)[nH]cn2 | 10.1016/j.bmcl.2004.11.044 | ||
| 413 | 3771 | 115 | None | -21 | 14 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 180 | 0 | 1 | 5 | -1.0 | Cn1c(=O)n(C)c2c(c1=O)[nH]cn2 | 10.1016/j.bmcl.2004.11.044 | ||
| CHEMBL190 | 3771 | 115 | None | -21 | 14 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 180 | 0 | 1 | 5 | -1.0 | Cn1c(=O)n(C)c2c(c1=O)[nH]cn2 | 10.1016/j.bmcl.2004.11.044 | ||
| DB00277 | 3771 | 115 | None | -21 | 14 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 180 | 0 | 1 | 5 | -1.0 | Cn1c(=O)n(C)c2c(c1=O)[nH]cn2 | 10.1016/j.bmcl.2004.11.044 | ||
| 156014687 | 177236 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 323 | 3 | 2 | 6 | 2.6 | CCOC(=O)C1=C(C)Nc2nc3ccccc3n2C1c1cc[nH]n1 | 10.1021/acs.jmedchem.0c00564 | ||
| CHEMBL4636116 | 177236 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 323 | 3 | 2 | 6 | 2.6 | CCOC(=O)C1=C(C)Nc2nc3ccccc3n2C1c1cc[nH]n1 | 10.1021/acs.jmedchem.0c00564 | ||
| 456309 | 160628 | 17 | None | -114 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 378 | 2 | 2 | 3 | 4.4 | O[C@H](c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12)[C@@H]1CCCCN1 | 10.1021/jm4011669 | ||
| CHEMBL411329 | 160628 | 17 | None | -114 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 378 | 2 | 2 | 3 | 4.4 | O[C@H](c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12)[C@@H]1CCCCN1 | 10.1021/jm4011669 | ||
| 156009812 | 177036 | 0 | None | -707 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 338 | 3 | 1 | 7 | 3.3 | CC1=C(C(=O)OC(C)C)C(c2ncco2)n2c(nc3ccccc32)N1 | 10.1021/acs.jmedchem.0c00564 | ||
| CHEMBL4632760 | 177036 | 0 | None | -707 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 338 | 3 | 1 | 7 | 3.3 | CC1=C(C(=O)OC(C)C)C(c2ncco2)n2c(nc3ccccc32)N1 | 10.1021/acs.jmedchem.0c00564 | ||
| 44588514 | 175043 | 0 | None | 4 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 369 | 6 | 2 | 6 | 2.9 | CCCn1c(=O)c2[nH]c(-c3ccc(C(C)=O)cc3)c(O)c2n(CCC)c1=O | 10.1016/j.bmc.2008.09.067 | ||
| CHEMBL456816 | 175043 | 0 | None | 4 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 369 | 6 | 2 | 6 | 2.9 | CCCn1c(=O)c2[nH]c(-c3ccc(C(C)=O)cc3)c(O)c2n(CCC)c1=O | 10.1016/j.bmc.2008.09.067 | ||
| 52949999 | 19093 | 0 | None | -1 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 572 | 9 | 1 | 5 | 5.1 | CN(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccc2[nH]c(=O)c(S(C)(=O)=O)c(CCc3ccccc3)c2c1 | 10.1016/j.bmcl.2010.10.030 | ||
| CHEMBL1289343 | 19093 | 0 | None | -1 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 572 | 9 | 1 | 5 | 5.1 | CN(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccc2[nH]c(=O)c(S(C)(=O)=O)c(CCc3ccccc3)c2c1 | 10.1016/j.bmcl.2010.10.030 | ||
| 156015964 | 177600 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 324 | 3 | 1 | 7 | 2.9 | CCOC(=O)C1=C(C)Nc2nc3ccccc3n2C1c1ccno1 | 10.1021/acs.jmedchem.0c00564 | ||
| CHEMBL4641123 | 177600 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 324 | 3 | 1 | 7 | 2.9 | CCOC(=O)C1=C(C)Nc2nc3ccccc3n2C1c1ccno1 | 10.1021/acs.jmedchem.0c00564 | ||
| 72546298 | 103825 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 264 | 4 | 2 | 4 | 1.9 | CCOC(=O)C1=C(CC)NC(=O)NC1c1ccco1 | 10.1021/ml400185v | ||
| CHEMBL3091710 | 103825 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 264 | 4 | 2 | 4 | 1.9 | CCOC(=O)C1=C(CC)NC(=O)NC1c1ccco1 | 10.1021/ml400185v | ||
| 46880473 | 6047 | 0 | None | 19 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 305 | 4 | 1 | 5 | 2.7 | O=C(Nc1ccc(-c2ccncc2)c(-n2cccn2)n1)C1CC1 | 10.1016/j.bmcl.2010.01.045 | ||
| CHEMBL1080679 | 6047 | 0 | None | 19 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 305 | 4 | 1 | 5 | 2.7 | O=C(Nc1ccc(-c2ccncc2)c(-n2cccn2)n1)C1CC1 | 10.1016/j.bmcl.2010.01.045 | ||
| 11531449 | 72222 | 0 | None | 12 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 401 | 9 | 2 | 7 | 1.7 | CCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)O)cc3)cc2n(CCCOC)c1=O | 10.1021/jm0506221 | ||
| CHEMBL198191 | 72222 | 0 | None | 12 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 401 | 9 | 2 | 7 | 1.7 | CCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)O)cc3)cc2n(CCCOC)c1=O | 10.1021/jm0506221 | ||
| 44437214 | 169230 | 0 | None | -31 | 6 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 355 | 3 | 1 | 8 | 0.6 | Cn1c(=O)c2c(nc3n2CCCN3CCc2ccc(O)cc2)n(C)c1=O | 10.1016/j.bmc.2007.07.051 | ||
| CHEMBL441145 | 169230 | 0 | None | -31 | 6 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 355 | 3 | 1 | 8 | 0.6 | Cn1c(=O)c2c(nc3n2CCCN3CCc2ccc(O)cc2)n(C)c1=O | 10.1016/j.bmc.2007.07.051 | ||
| 9834769 | 157222 | 2 | None | -457 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 247 | 2 | 0 | 5 | 3.4 | CCc1nc(-c2nccs2)c2sccc2n1 | 10.1016/j.bmcl.2008.03.076 | ||
| CHEMBL407650 | 157222 | 2 | None | -457 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 247 | 2 | 0 | 5 | 3.4 | CCc1nc(-c2nccs2)c2sccc2n1 | 10.1016/j.bmcl.2008.03.076 | ||
| 156019063 | 177813 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 338 | 3 | 1 | 7 | 3.3 | CC1=C(C(=O)OC(C)C)C(c2ccon2)n2c(nc3ccccc32)N1 | 10.1021/acs.jmedchem.0c00564 | ||
| CHEMBL4644043 | 177813 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 338 | 3 | 1 | 7 | 3.3 | CC1=C(C(=O)OC(C)C)C(c2ccon2)n2c(nc3ccccc32)N1 | 10.1021/acs.jmedchem.0c00564 | ||
| 162667072 | 182385 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 292 | 4 | 2 | 4 | 2.3 | CC1=C(C(=O)OCC2CC2)C(c2ccsc2)NC(=O)N1 | 10.1021/acs.jmedchem.0c01431 | ||
| CHEMBL4785646 | 182385 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 292 | 4 | 2 | 4 | 2.3 | CC1=C(C(=O)OCC2CC2)C(c2ccsc2)NC(=O)N1 | 10.1021/acs.jmedchem.0c01431 | ||
| 127030660 | 139005 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 303 | 3 | 1 | 6 | 3.2 | CC1=C(C(=O)OC(C)C)C(c2cccs2)n2ccnc2N1 | 10.1021/acs.jmedchem.5b01586 | ||
| CHEMBL3785876 | 139005 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 303 | 3 | 1 | 6 | 3.2 | CC1=C(C(=O)OC(C)C)C(c2cccs2)n2ccnc2N1 | 10.1021/acs.jmedchem.5b01586 | ||
| 22266730 | 94534 | 0 | None | 29 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 354 | 4 | 2 | 6 | 1.5 | CCn1c(=O)[nH]c2nc(-c3cnn(Cc4cccc(F)c4)c3)[nH]c2c1=O | 10.1016/j.bmcl.2008.01.008 | ||
| CHEMBL251875 | 94534 | 0 | None | 29 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 354 | 4 | 2 | 6 | 1.5 | CCn1c(=O)[nH]c2nc(-c3cnn(Cc4cccc(F)c4)c3)[nH]c2c1=O | 10.1016/j.bmcl.2008.01.008 | ||
| 1329 | 1460 | 86 | None | -1288 | 14 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 304 | 5 | 1 | 5 | 2.4 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C1CCCC1 | 10.1021/acs.jmedchem.7b00138 | ||
| 386 | 1460 | 86 | None | -1288 | 14 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 304 | 5 | 1 | 5 | 2.4 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C1CCCC1 | 10.1021/acs.jmedchem.7b00138 | ||
| CHEMBL183 | 1460 | 86 | None | -1288 | 14 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 304 | 5 | 1 | 5 | 2.4 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C1CCCC1 | 10.1021/acs.jmedchem.7b00138 | ||
| DB12946 | 1460 | 86 | None | -1288 | 14 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 304 | 5 | 1 | 5 | 2.4 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C1CCCC1 | 10.1021/acs.jmedchem.7b00138 | ||
| 15667089 | 4585 | 0 | None | -33 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 276 | 3 | 1 | 5 | 1.6 | CCn1c(=O)c2nc(C3CCCC3)[nH]c2n(CC)c1=O | 10.1021/acs.jmedchem.9b01340 | ||
| CHEMBL102859 | 4585 | 0 | None | -33 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 276 | 3 | 1 | 5 | 1.6 | CCn1c(=O)c2nc(C3CCCC3)[nH]c2n(CC)c1=O | 10.1021/acs.jmedchem.9b01340 | ||
| 1329 | 1460 | 86 | None | -1288 | 14 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 304 | 5 | 1 | 5 | 2.4 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C1CCCC1 | 10.1021/acs.jmedchem.0c00564 | ||
| 386 | 1460 | 86 | None | -1288 | 14 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 304 | 5 | 1 | 5 | 2.4 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C1CCCC1 | 10.1021/acs.jmedchem.0c00564 | ||
| CHEMBL183 | 1460 | 86 | None | -1288 | 14 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 304 | 5 | 1 | 5 | 2.4 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C1CCCC1 | 10.1021/acs.jmedchem.0c00564 | ||
| DB12946 | 1460 | 86 | None | -1288 | 14 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 304 | 5 | 1 | 5 | 2.4 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C1CCCC1 | 10.1021/acs.jmedchem.0c00564 | ||
| 1329 | 1460 | 86 | None | -1288 | 14 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 304 | 5 | 1 | 5 | 2.4 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C1CCCC1 | 10.1021/acs.jmedchem.1c01636 | ||
| 386 | 1460 | 86 | None | -1288 | 14 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 304 | 5 | 1 | 5 | 2.4 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C1CCCC1 | 10.1021/acs.jmedchem.1c01636 | ||
| CHEMBL183 | 1460 | 86 | None | -1288 | 14 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 304 | 5 | 1 | 5 | 2.4 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C1CCCC1 | 10.1021/acs.jmedchem.1c01636 | ||
| DB12946 | 1460 | 86 | None | -1288 | 14 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 304 | 5 | 1 | 5 | 2.4 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C1CCCC1 | 10.1021/acs.jmedchem.1c01636 | ||
| 1329 | 1460 | 86 | None | -1288 | 14 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 304 | 5 | 1 | 5 | 2.4 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C1CCCC1 | 10.1021/acs.jmedchem.5b01586 | ||
| 386 | 1460 | 86 | None | -1288 | 14 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 304 | 5 | 1 | 5 | 2.4 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C1CCCC1 | 10.1021/acs.jmedchem.5b01586 | ||
| CHEMBL183 | 1460 | 86 | None | -1288 | 14 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 304 | 5 | 1 | 5 | 2.4 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C1CCCC1 | 10.1021/acs.jmedchem.5b01586 | ||
| DB12946 | 1460 | 86 | None | -1288 | 14 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 304 | 5 | 1 | 5 | 2.4 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C1CCCC1 | 10.1021/acs.jmedchem.5b01586 | ||
| CHEMBL5074986 | 214325 | 0 | None | -15 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | None | None | None | N#Cc1c(-c2cccc(Cl)c2)nc(N)nc1-c1cccc(Cl)c1 | 10.1021/acs.jmedchem.1c01636 | ||||
| 155542822 | 173143 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 377 | 3 | 1 | 6 | 4.0 | CCOC(=O)C1=C(C(F)(F)F)Nc2nc3ccccc3n2C1c1ccco1 | 10.1021/acs.jmedchem.9b01340 | ||
| CHEMBL4521818 | 173143 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 377 | 3 | 1 | 6 | 4.0 | CCOC(=O)C1=C(C(F)(F)F)Nc2nc3ccccc3n2C1c1ccco1 | 10.1021/acs.jmedchem.9b01340 | ||
| 1329 | 1460 | 86 | None | -1288 | 14 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 304 | 5 | 1 | 5 | 2.4 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C1CCCC1 | 10.1021/acs.jmedchem.0c01431 | ||
| 386 | 1460 | 86 | None | -1288 | 14 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 304 | 5 | 1 | 5 | 2.4 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C1CCCC1 | 10.1021/acs.jmedchem.0c01431 | ||
| CHEMBL183 | 1460 | 86 | None | -1288 | 14 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 304 | 5 | 1 | 5 | 2.4 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C1CCCC1 | 10.1021/acs.jmedchem.0c01431 | ||
| DB12946 | 1460 | 86 | None | -1288 | 14 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 304 | 5 | 1 | 5 | 2.4 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C1CCCC1 | 10.1021/acs.jmedchem.0c01431 | ||
| 162671640 | 182831 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 290 | 4 | 2 | 4 | 2.3 | CC1=C(C(=O)OCC2CCC2)C(c2ccoc2)NC(=O)N1 | 10.1021/acs.jmedchem.0c01431 | ||
| CHEMBL4791578 | 182831 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 290 | 4 | 2 | 4 | 2.3 | CC1=C(C(=O)OCC2CCC2)C(c2ccoc2)NC(=O)N1 | 10.1021/acs.jmedchem.0c01431 | ||
| 135421366 | 108940 | 0 | None | 13 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 521 | 11 | 2 | 9 | 3.6 | CCCn1c(=O)c2nc(-c3cc(OCC(=O)Nc4ccc(C(C)CC)cc4)nn3C)[nH]c2n(CCC)c1=O | 10.1021/jm0309654 | ||
| CHEMBL32118 | 108940 | 0 | None | 13 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 521 | 11 | 2 | 9 | 3.6 | CCCn1c(=O)c2nc(-c3cc(OCC(=O)Nc4ccc(C(C)CC)cc4)nn3C)[nH]c2n(CCC)c1=O | 10.1021/jm0309654 | ||
| 44406592 | 72843 | 0 | None | 4 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 528 | 8 | 1 | 10 | 3.7 | CCCn1c(=O)c2nc(-c3cnn(Cc4nc(-c5ccccc5C(F)(F)F)no4)c3)[nH]c2n(CCC)c1=O | 10.1016/j.bmcl.2005.10.002 | ||
| CHEMBL200313 | 72843 | 0 | None | 4 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 528 | 8 | 1 | 10 | 3.7 | CCCn1c(=O)c2nc(-c3cnn(Cc4nc(-c5ccccc5C(F)(F)F)no4)c3)[nH]c2n(CCC)c1=O | 10.1016/j.bmcl.2005.10.002 | ||
| 11711190 | 77762 | 0 | None | -4 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 406 | 8 | 1 | 7 | 2.8 | CCCn1c(=O)c2nc(-c3cnn(CCc4ccccc4)c3)[nH]c2n(CCC)c1=O | 10.1021/jm051268+ | ||
| CHEMBL209217 | 77762 | 0 | None | -4 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 406 | 8 | 1 | 7 | 2.8 | CCCn1c(=O)c2nc(-c3cnn(CCc4ccccc4)c3)[nH]c2n(CCC)c1=O | 10.1021/jm051268+ | ||
| 21874581 | 169591 | 0 | None | -138 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 322 | 4 | 1 | 8 | 2.1 | COc1ccccc1Cn1nnc2c(-c3ccco3)nc(N)nc21 | 10.1021/jm800961g | ||
| CHEMBL443665 | 169591 | 0 | None | -138 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 322 | 4 | 1 | 8 | 2.1 | COc1ccccc1Cn1nnc2c(-c3ccco3)nc(N)nc21 | 10.1021/jm800961g | ||
| 9497523 | 181335 | 0 | None | -53 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 267 | 2 | 1 | 5 | 3.5 | N#Cc1c(-c2cccs2)cc(-c2ccco2)nc1N | 10.1021/jm701594y | ||
| CHEMBL476311 | 181335 | 0 | None | -53 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 267 | 2 | 1 | 5 | 3.5 | N#Cc1c(-c2cccs2)cc(-c2ccco2)nc1N | 10.1021/jm701594y | ||
| 156020575 | 178041 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 354 | 3 | 1 | 7 | 3.7 | CC1=C(C(=O)OC(C)C)C(c2nccs2)n2c(nc3ccccc32)N1 | 10.1021/acs.jmedchem.0c00564 | ||
| CHEMBL4647365 | 178041 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 354 | 3 | 1 | 7 | 3.7 | CC1=C(C(=O)OC(C)C)C(c2nccs2)n2c(nc3ccccc32)N1 | 10.1021/acs.jmedchem.0c00564 | ||
| 11426423 | 195078 | 0 | None | -177 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 295 | 4 | 2 | 6 | 1.6 | Nc1nc(C(=O)NCc2ccccn2)cc(-c2ccco2)n1 | 10.1016/j.bmcl.2009.03.142 | ||
| CHEMBL549885 | 195078 | 0 | None | -177 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 295 | 4 | 2 | 6 | 1.6 | Nc1nc(C(=O)NCc2ccccn2)cc(-c2ccco2)n1 | 10.1016/j.bmcl.2009.03.142 | ||
| 11850015 | 80131 | 0 | None | -72 | 2 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 367 | 3 | 0 | 6 | 3.5 | Cc1nn(Cc2ccccc2)c(=O)c2ncn3nc(-c4ccccc4)cc3c12 | 10.1016/j.bmc.2010.09.043 | ||
| CHEMBL213425 | 80131 | 0 | None | -72 | 2 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 367 | 3 | 0 | 6 | 3.5 | Cc1nn(Cc2ccccc2)c(=O)c2ncn3nc(-c4ccccc4)cc3c12 | 10.1016/j.bmc.2010.09.043 | ||
| 19074239 | 203833 | 6 | None | -6 | 2 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 320 | 10 | 1 | 5 | 3.0 | CCCCCCn1c(=O)c2nc[nH]c2n(CCCCCC)c1=O | 10.1021/jm0104318 | ||
| CHEMBL68660 | 203833 | 6 | None | -6 | 2 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 320 | 10 | 1 | 5 | 3.0 | CCCCCCn1c(=O)c2nc[nH]c2n(CCCCCC)c1=O | 10.1021/jm0104318 | ||
| 135522362 | 99993 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 472 | 8 | 1 | 10 | 0.3 | CCCn1c(=O)c2nc(-c3cc(OCC(=O)N4CCN(C)CC4)nn3C)[nH]c2n(CCC)c1=O | 10.1021/jm0309654 | ||
| CHEMBL286838 | 99993 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 472 | 8 | 1 | 10 | 0.3 | CCCn1c(=O)c2nc(-c3cc(OCC(=O)N4CCN(C)CC4)nn3C)[nH]c2n(CCC)c1=O | 10.1021/jm0309654 | ||
| 135522362 | 99993 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 472 | 8 | 1 | 10 | 0.3 | CCCn1c(=O)c2nc(-c3cc(OCC(=O)N4CCN(C)CC4)nn3C)[nH]c2n(CCC)c1=O | 10.1021/jm0309654 | ||
| CHEMBL286838 | 99993 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 472 | 8 | 1 | 10 | 0.3 | CCCn1c(=O)c2nc(-c3cc(OCC(=O)N4CCN(C)CC4)nn3C)[nH]c2n(CCC)c1=O | 10.1021/jm0309654 | ||
| 10895416 | 57155 | 0 | None | -7 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 436 | 5 | 2 | 8 | 4.4 | CCCn1cc2c(nc(NC(=O)Nc3ccc(Cl)cc3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm0109614 | ||
| CHEMBL164905 | 57155 | 0 | None | -7 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 436 | 5 | 2 | 8 | 4.4 | CCCn1cc2c(nc(NC(=O)Nc3ccc(Cl)cc3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm0109614 | ||
| 136042345 | 71142 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 585 | 8 | 2 | 9 | 4.9 | CCCn1c(=O)c2[nH]c(-c3cc(OCc4nc5c(C(F)(F)F)cc(C(F)(F)F)cc5[nH]4)no3)nc2n(CCC)c1=O | 10.1021/jm201292w | ||
| CHEMBL1955921 | 71142 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 585 | 8 | 2 | 9 | 4.9 | CCCn1c(=O)c2[nH]c(-c3cc(OCc4nc5c(C(F)(F)F)cc(C(F)(F)F)cc5[nH]4)no3)nc2n(CCC)c1=O | 10.1021/jm201292w | ||
| 11438116 | 84638 | 4 | None | -5 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 303 | 4 | 1 | 3 | 4.2 | CCC(=O)Nc1cc(-c2ccccc2)nc(-c2ccccc2)n1 | 10.1021/jm100843z | ||
| CHEMBL222474 | 84638 | 4 | None | -5 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 303 | 4 | 1 | 3 | 4.2 | CCC(=O)Nc1cc(-c2ccccc2)nc(-c2ccccc2)n1 | 10.1021/jm100843z | ||
| 377 | 2738 | 53 | None | -1479 | 15 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/jm031143+ | ||
| 425 | 2738 | 53 | None | -1479 | 15 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/jm031143+ | ||
| 448222 | 2738 | 53 | None | -1479 | 15 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/jm031143+ | ||
| CHEMBL464859 | 2738 | 53 | None | -1479 | 15 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1021/jm031143+ | ||
| 44410550 | 76231 | 0 | None | -5888 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 511 | 7 | 5 | 12 | 0.0 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC)nc(C#CC(O)c4ccccc4[N+](=O)[O-])nc32)[C@H](O)[C@@H]1O | 10.1016/j.bmcl.2006.01.110 | ||
| CHEMBL205850 | 76231 | 0 | None | -5888 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 511 | 7 | 5 | 12 | 0.0 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC)nc(C#CC(O)c4ccccc4[N+](=O)[O-])nc32)[C@H](O)[C@@H]1O | 10.1016/j.bmcl.2006.01.110 | ||
| 156019196 | 177929 | 0 | None | -389 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 324 | 3 | 1 | 7 | 2.9 | CCOC(=O)C1=C(C)Nc2nc3ccccc3n2C1c1ncco1 | 10.1021/acs.jmedchem.0c00564 | ||
| CHEMBL4645754 | 177929 | 0 | None | -389 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 324 | 3 | 1 | 7 | 2.9 | CCOC(=O)C1=C(C)Nc2nc3ccccc3n2C1c1ncco1 | 10.1021/acs.jmedchem.0c00564 | ||
| 66892978 | 159204 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 519 | 9 | 2 | 9 | 2.3 | CCCn1c(=O)c2[nH]c(-c3cnn(CC4CC(=O)N(c5ccc(C(=O)O)cc5)C4)c3)nc2n(CCC)c1=O | 10.1016/j.ejmech.2016.11.007 | ||
| CHEMBL4098853 | 159204 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 519 | 9 | 2 | 9 | 2.3 | CCCn1c(=O)c2[nH]c(-c3cnn(CC4CC(=O)N(c5ccc(C(=O)O)cc5)C4)c3)nc2n(CCC)c1=O | 10.1016/j.ejmech.2016.11.007 | ||
| 45269706 | 196049 | 0 | None | 1 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 469 | 10 | 2 | 8 | 2.0 | CCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NC4CCCC4)cc3)nc2n(CCCOC)c1=O | 10.1016/j.bmc.2009.03.029 | ||
| CHEMBL560623 | 196049 | 0 | None | 1 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 469 | 10 | 2 | 8 | 2.0 | CCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NC4CCCC4)cc3)nc2n(CCCOC)c1=O | 10.1016/j.bmc.2009.03.029 | ||
| 11555937 | 140397 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 564 | 11 | 2 | 7 | 5.2 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(C(=O)c5ccccc5)cc4)cc3)cc2n(CCC)c1=O | 10.1021/jm0506221 | ||
| CHEMBL380901 | 140397 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 564 | 11 | 2 | 7 | 5.2 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(C(=O)c5ccccc5)cc4)cc3)cc2n(CCC)c1=O | 10.1021/jm0506221 | ||
| 135416050 | 100078 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 494 | 9 | 2 | 10 | 2.2 | CCCn1c(=O)c2nc(-c3cc(NC(=O)Cc4ccc([N+](=O)[O-])cc4)nn3C)[nH]c2n(CCC)c1=O | 10.1021/jm0309654 | ||
| CHEMBL287493 | 100078 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 494 | 9 | 2 | 10 | 2.2 | CCCn1c(=O)c2nc(-c3cc(NC(=O)Cc4ccc([N+](=O)[O-])cc4)nn3C)[nH]c2n(CCC)c1=O | 10.1021/jm0309654 | ||
| 135529373 | 112340 | 0 | None | 24 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 485 | 8 | 2 | 8 | 2.6 | CCCn1c(=O)c2nc(-c3cc(NC(=O)Cc4ccc(F)c(F)c4)nn3C)[nH]c2n(CCC)c1=O | 10.1021/jm0309654 | ||
| CHEMBL32950 | 112340 | 0 | None | 24 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 485 | 8 | 2 | 8 | 2.6 | CCCn1c(=O)c2nc(-c3cc(NC(=O)Cc4ccc(F)c(F)c4)nn3C)[nH]c2n(CCC)c1=O | 10.1021/jm0309654 | ||
| 10994183 | 120206 | 0 | None | -154 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 460 | 6 | 2 | 10 | 3.9 | CCCCn1cc2c(nc(NC(=O)Nc3ccc4c(c3)OCO4)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm0109614 | ||
| CHEMBL352192 | 120206 | 0 | None | -154 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 460 | 6 | 2 | 10 | 3.9 | CCCCn1cc2c(nc(NC(=O)Nc3ccc4c(c3)OCO4)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm0109614 | ||
| 11091632 | 119933 | 0 | None | -2 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 450 | 6 | 2 | 8 | 4.8 | CCCCn1cc2c(nc(NC(=O)Nc3ccccc3Cl)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm0109614 | ||
| CHEMBL349716 | 119933 | 0 | None | -2 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 450 | 6 | 2 | 8 | 4.8 | CCCCn1cc2c(nc(NC(=O)Nc3ccccc3Cl)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm0109614 | ||
| 46880421 | 6341 | 0 | None | 4 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 322 | 4 | 1 | 5 | 3.6 | O=C(Nc1ccc(-c2ccncc2)c(-c2cncs2)n1)C1CC1 | 10.1016/j.bmcl.2010.01.045 | ||
| CHEMBL1082171 | 6341 | 0 | None | 4 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 322 | 4 | 1 | 5 | 3.6 | O=C(Nc1ccc(-c2ccncc2)c(-c2cncs2)n1)C1CC1 | 10.1016/j.bmcl.2010.01.045 | ||
| 2153 | 3771 | 115 | None | -21 | 14 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 180 | 0 | 1 | 5 | -1.0 | Cn1c(=O)n(C)c2c(c1=O)[nH]cn2 | 10.1021/jm900413e | ||
| 2620 | 3771 | 115 | None | -21 | 14 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 180 | 0 | 1 | 5 | -1.0 | Cn1c(=O)n(C)c2c(c1=O)[nH]cn2 | 10.1021/jm900413e | ||
| 413 | 3771 | 115 | None | -21 | 14 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 180 | 0 | 1 | 5 | -1.0 | Cn1c(=O)n(C)c2c(c1=O)[nH]cn2 | 10.1021/jm900413e | ||
| CHEMBL190 | 3771 | 115 | None | -21 | 14 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 180 | 0 | 1 | 5 | -1.0 | Cn1c(=O)n(C)c2c(c1=O)[nH]cn2 | 10.1021/jm900413e | ||
| DB00277 | 3771 | 115 | None | -21 | 14 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 180 | 0 | 1 | 5 | -1.0 | Cn1c(=O)n(C)c2c(c1=O)[nH]cn2 | 10.1021/jm900413e | ||
| 156018198 | 177807 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 324 | 3 | 1 | 7 | 2.9 | CCOC(=O)C1=C(C)Nc2nc3ccccc3n2C1c1ccon1 | 10.1021/acs.jmedchem.0c00564 | ||
| CHEMBL4643944 | 177807 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 324 | 3 | 1 | 7 | 2.9 | CCOC(=O)C1=C(C)Nc2nc3ccccc3n2C1c1ccon1 | 10.1021/acs.jmedchem.0c00564 | ||
| 137645670 | 157975 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 424 | 6 | 2 | 8 | 1.9 | CCCn1c(=O)c2[nH]c(-c3cnn(CC#CC4(O)CCCC4)c3)nc2n(CCC)c1=O | 10.1016/j.ejmech.2017.04.014 | ||
| CHEMBL4085353 | 157975 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 424 | 6 | 2 | 8 | 1.9 | CCCn1c(=O)c2[nH]c(-c3cnn(CC#CC4(O)CCCC4)c3)nc2n(CCC)c1=O | 10.1016/j.ejmech.2017.04.014 | ||
| 21874603 | 178562 | 0 | None | -34 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 328 | 3 | 1 | 7 | 2.4 | Nc1nc(-c2ccco2)c2nnn(Cc3cccc(F)c3F)c2n1 | 10.1021/jm800961g | ||
| CHEMBL467244 | 178562 | 0 | None | -34 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 328 | 3 | 1 | 7 | 2.4 | Nc1nc(-c2ccco2)c2nnn(Cc3cccc(F)c3F)c2n1 | 10.1021/jm800961g | ||
| 11561747 | 73061 | 0 | None | 6 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 463 | 8 | 2 | 6 | 3.2 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)O)cc3)c(Br)c2n(CCC)c1=O | 10.1021/jm0506221 | ||
| CHEMBL201108 | 73061 | 0 | None | 6 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 463 | 8 | 2 | 6 | 3.2 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)O)cc3)c(Br)c2n(CCC)c1=O | 10.1021/jm0506221 | ||
| 11524078 | 73513 | 0 | None | 8 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 396 | 5 | 2 | 6 | 1.7 | Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NC4CCCC4)cc3)cc2n(C)c1=O | 10.1021/jm0506221 | ||
| CHEMBL201745 | 73513 | 0 | None | 8 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 396 | 5 | 2 | 6 | 1.7 | Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NC4CCCC4)cc3)cc2n(C)c1=O | 10.1021/jm0506221 | ||
| 155525396 | 171066 | 0 | None | -7 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 295 | 2 | 2 | 5 | 2.7 | Oc1ccc(-c2nc(N3CCCCC3)c3nc[nH]c3n2)cc1 | 10.1016/j.bmc.2019.06.034 | ||
| CHEMBL4457537 | 171066 | 0 | None | -7 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 295 | 2 | 2 | 5 | 2.7 | Oc1ccc(-c2nc(N3CCCCC3)c3nc[nH]c3n2)cc1 | 10.1016/j.bmc.2019.06.034 | ||
| 46837703 | 10561 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 458 | 6 | 2 | 5 | 3.1 | CCCn1c(=O)[nH]c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCc5ccccc5C4)cc3)cc21 | 10.1016/j.ejmech.2010.03.011 | ||
| CHEMBL1169972 | 10561 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 458 | 6 | 2 | 5 | 3.1 | CCCn1c(=O)[nH]c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCc5ccccc5C4)cc3)cc21 | 10.1016/j.ejmech.2010.03.011 | ||
| 14000474 | 50970 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 314 | 5 | 1 | 7 | 1.2 | CCCn1c(=O)c2nc(-c3cnccn3)[nH]c2n(CCC)c1=O | 10.1021/jm0104318 | ||
| CHEMBL157836 | 50970 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 314 | 5 | 1 | 7 | 1.2 | CCCn1c(=O)c2nc(-c3cnccn3)[nH]c2n(CCC)c1=O | 10.1021/jm0104318 | ||
| 44410697 | 77256 | 0 | None | -4265 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 458 | 6 | 5 | 10 | -0.1 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC)nc(C#CC(O)C4CCCC4)nc32)[C@H](O)[C@@H]1O | 10.1016/j.bmcl.2006.01.110 | ||
| CHEMBL208160 | 77256 | 0 | None | -4265 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 458 | 6 | 5 | 10 | -0.1 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC)nc(C#CC(O)C4CCCC4)nc32)[C@H](O)[C@@H]1O | 10.1016/j.bmcl.2006.01.110 | ||
| 44520982 | 199825 | 0 | None | -794 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 298 | 4 | 3 | 6 | 1.3 | Cc1ccc(-c2cc(C(=O)NCc3ncc[nH]3)nc(N)n2)o1 | 10.1016/j.bmc.2009.07.078 | ||
| CHEMBL594363 | 199825 | 0 | None | -794 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 298 | 4 | 3 | 6 | 1.3 | Cc1ccc(-c2cc(C(=O)NCc3ncc[nH]3)nc(N)n2)o1 | 10.1016/j.bmc.2009.07.078 | ||
| 69030489 | 159422 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 489 | 8 | 1 | 8 | 2.9 | CCCn1c(=O)c2[nH]c(-c3cnn(CC4CC(=O)N(c5ccc(C)cc5)C4)c3)nc2n(CCC)c1=O | 10.1016/j.ejmech.2016.11.007 | ||
| CHEMBL4101208 | 159422 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 489 | 8 | 1 | 8 | 2.9 | CCCn1c(=O)c2[nH]c(-c3cnn(CC4CC(=O)N(c5ccc(C)cc5)C4)c3)nc2n(CCC)c1=O | 10.1016/j.ejmech.2016.11.007 | ||
| 10158974 | 155482 | 0 | None | -1 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 418 | 5 | 2 | 6 | 2.8 | CCCn1c(=O)[nH]c2nc(-c3cnn(Cc4cccc(C(F)(F)F)c4)c3)[nH]c2c1=O | 10.1016/j.bmcl.2008.01.008 | ||
| CHEMBL404168 | 155482 | 0 | None | -1 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 418 | 5 | 2 | 6 | 2.8 | CCCn1c(=O)[nH]c2nc(-c3cnn(Cc4cccc(C(F)(F)F)c4)c3)[nH]c2c1=O | 10.1016/j.bmcl.2008.01.008 | ||
| 11952670 | 6304 | 0 | None | 44 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 278 | 2 | 2 | 6 | 2.3 | Nc1n[nH]c2nc(-c3ccco3)c(-c3ccncn3)cc12 | 10.1016/j.bmcl.2010.01.077 | ||
| CHEMBL1082001 | 6304 | 0 | None | 44 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 278 | 2 | 2 | 6 | 2.3 | Nc1n[nH]c2nc(-c3ccco3)c(-c3ccncn3)cc12 | 10.1016/j.bmcl.2010.01.077 | ||
| 46911060 | 10616 | 0 | None | 6 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 373 | 5 | 1 | 7 | 2.7 | CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccnn3C)sc12 | 10.1016/j.bmcl.2011.02.053 | ||
| CHEMBL1170367 | 10616 | 0 | None | 6 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 373 | 5 | 1 | 7 | 2.7 | CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccnn3C)sc12 | 10.1016/j.bmcl.2011.02.053 | ||
| 46911060 | 10616 | 0 | None | 6 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 373 | 5 | 1 | 7 | 2.7 | CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccnn3C)sc12 | 10.1016/j.bmcl.2010.05.056 | ||
| CHEMBL1170367 | 10616 | 0 | None | 6 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 373 | 5 | 1 | 7 | 2.7 | CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccnn3C)sc12 | 10.1016/j.bmcl.2010.05.056 | ||
| 49797771 | 10823 | 0 | None | 9 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 435 | 6 | 1 | 7 | 4.1 | CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(-n4ccnc4)cc3)sc12 | 10.1016/j.bmcl.2010.05.056 | ||
| CHEMBL1172275 | 10823 | 0 | None | 9 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 435 | 6 | 1 | 7 | 4.1 | CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(-n4ccnc4)cc3)sc12 | 10.1016/j.bmcl.2010.05.056 | ||
| 156012446 | 177312 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 324 | 3 | 1 | 7 | 2.9 | CCOC(=O)C1=C(C)Nc2nc3ccccc3n2C1c1cocn1 | 10.1021/acs.jmedchem.0c00564 | ||
| CHEMBL4637285 | 177312 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 324 | 3 | 1 | 7 | 2.9 | CCOC(=O)C1=C(C)Nc2nc3ccccc3n2C1c1cocn1 | 10.1021/acs.jmedchem.0c00564 | ||
| 136042353 | 71124 | 0 | None | 70 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 530 | 8 | 2 | 9 | 3.6 | CCCn1c(=O)c2[nH]c(-c3cc(OCc4nc5cc(C(F)(F)F)ccc5[nH]4)nn3C)nc2n(CCC)c1=O | 10.1021/jm201292w | ||
| CHEMBL1955902 | 71124 | 0 | None | 70 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 530 | 8 | 2 | 9 | 3.6 | CCCn1c(=O)c2[nH]c(-c3cc(OCc4nc5cc(C(F)(F)F)ccc5[nH]4)nn3C)nc2n(CCC)c1=O | 10.1021/jm201292w | ||
| 44451269 | 96237 | 0 | None | 33 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 565 | 5 | 1 | 7 | 3.1 | CC(Oc1ccc(-c2cc3c([nH]2)c(=O)n(C)c(=O)n3C)cc1)C(=O)N1CCN(c2ccc(Br)cc2)CC1 | 10.1016/j.bmc.2008.01.002 | ||
| CHEMBL261068 | 96237 | 0 | None | 33 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 565 | 5 | 1 | 7 | 3.1 | CC(Oc1ccc(-c2cc3c([nH]2)c(=O)n(C)c(=O)n3C)cc1)C(=O)N1CCN(c2ccc(Br)cc2)CC1 | 10.1016/j.bmc.2008.01.002 | ||
| 11270783 | 1215 | 35 | None | 67 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 446 | 6 | 1 | 7 | 3.2 | CCCn1c(=O)c2nc([nH]c2n(c1=O)CC)c1cnn(c1)Cc1cccc(c1)C(F)(F)F | 10.1021/jm201292w | ||
| 5615 | 1215 | 35 | None | 67 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 446 | 6 | 1 | 7 | 3.2 | CCCn1c(=O)c2nc([nH]c2n(c1=O)CC)c1cnn(c1)Cc1cccc(c1)C(F)(F)F | 10.1021/jm201292w | ||
| CHEMBL260933 | 1215 | 35 | None | 67 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 446 | 6 | 1 | 7 | 3.2 | CCCn1c(=O)c2nc([nH]c2n(c1=O)CC)c1cnn(c1)Cc1cccc(c1)C(F)(F)F | 10.1021/jm201292w | ||
| DB05936 | 1215 | 35 | None | 67 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 446 | 6 | 1 | 7 | 3.2 | CCCn1c(=O)c2nc([nH]c2n(c1=O)CC)c1cnn(c1)Cc1cccc(c1)C(F)(F)F | 10.1021/jm201292w | ||
| 155565911 | 175753 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 522 | 7 | 2 | 7 | 2.6 | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(C(C)c5ccccc5)CC4)cc3)[nH]c2c1=O | 10.1021/acs.jmedchem.9b00071 | ||
| CHEMBL4583860 | 175753 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 522 | 7 | 2 | 7 | 2.6 | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(C(C)c5ccccc5)CC4)cc3)[nH]c2c1=O | 10.1021/acs.jmedchem.9b00071 | ||
| 155548264 | 173744 | 0 | None | -4 | 3 | Mouse | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 542 | 6 | 1 | 8 | 2.7 | CCCn1c(=O)c2[nH]c(-c3ccc(S(=O)(=O)N4CCN(c5ccc(Cl)cc5)CC4)cc3)nc2n(C)c1=O | 10.1021/acs.jmedchem.9b00071 | ||
| CHEMBL4537196 | 173744 | 0 | None | -4 | 3 | Mouse | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 542 | 6 | 1 | 8 | 2.7 | CCCn1c(=O)c2[nH]c(-c3ccc(S(=O)(=O)N4CCN(c5ccc(Cl)cc5)CC4)cc3)nc2n(C)c1=O | 10.1021/acs.jmedchem.9b00071 | ||
| 66894029 | 158110 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 570 | 9 | 1 | 8 | 4.2 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC4CC(=O)N(c5cccc(C(F)(F)F)c5)C4)nc3)nc2n(CCC)c1=O | 10.1016/j.ejmech.2016.11.007 | ||
| CHEMBL4087139 | 158110 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 570 | 9 | 1 | 8 | 4.2 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC4CC(=O)N(c5cccc(C(F)(F)F)c5)C4)nc3)nc2n(CCC)c1=O | 10.1016/j.ejmech.2016.11.007 | ||
| 44450829 | 95848 | 0 | None | 41 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 444 | 4 | 1 | 6 | 2.2 | Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCc5ccccc5C4)cc3)cc2n(C)c1=O | 10.1016/j.bmc.2008.01.002 | ||
| CHEMBL259105 | 95848 | 0 | None | 41 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 444 | 4 | 1 | 6 | 2.2 | Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCc5ccccc5C4)cc3)cc2n(C)c1=O | 10.1016/j.bmc.2008.01.002 | ||
| 154701278 | 169881 | 1 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 391 | 3 | 1 | 6 | 4.4 | CC1=C(C(=O)O[C@@H](C)C(F)(F)F)[C@@H](c2ccco2)n2c(nc3ccccc32)N1 | 10.1021/acs.jmedchem.9b01340 | ||
| CHEMBL4440908 | 169881 | 1 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 391 | 3 | 1 | 6 | 4.4 | CC1=C(C(=O)O[C@@H](C)C(F)(F)F)[C@@H](c2ccco2)n2c(nc3ccccc32)N1 | 10.1021/acs.jmedchem.9b01340 | ||
| 11313397 | 174685 | 0 | None | 18 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 326 | 5 | 2 | 5 | 2.6 | CCCn1c(=O)c2[nH]c(-c3ccc(N)cc3)cc2n(CCC)c1=O | 10.1016/j.bmc.2008.09.067 | ||
| CHEMBL455986 | 174685 | 0 | None | 18 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 326 | 5 | 2 | 5 | 2.6 | CCCn1c(=O)c2[nH]c(-c3ccc(N)cc3)cc2n(CCC)c1=O | 10.1016/j.bmc.2008.09.067 | ||
| 11677816 | 73090 | 0 | None | 1 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 506 | 9 | 2 | 6 | 4.9 | CCCn1c(=O)c2[nH]c(-c3ccc(OC(C)(C)C(=O)Nc4ccc(F)cc4)cc3)cc2n(CCC)c1=O | 10.1021/jm0506221 | ||
| CHEMBL201128 | 73090 | 0 | None | 1 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 506 | 9 | 2 | 6 | 4.9 | CCCn1c(=O)c2[nH]c(-c3ccc(OC(C)(C)C(=O)Nc4ccc(F)cc4)cc3)cc2n(CCC)c1=O | 10.1021/jm0506221 | ||
| 11541413 | 138466 | 0 | None | 2 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 566 | 12 | 2 | 7 | 5.6 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(OCc5ccccc5)cc4)cc3)cc2n(CCC)c1=O | 10.1021/jm0506221 | ||
| CHEMBL377485 | 138466 | 0 | None | 2 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 566 | 12 | 2 | 7 | 5.6 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(OCc5ccccc5)cc4)cc3)cc2n(CCC)c1=O | 10.1021/jm0506221 | ||
| 54768602 | 80970 | 0 | None | -2 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 331 | 1 | 0 | 7 | 1.4 | Cn1c(=O)c2c(nc3n2CCN3C2CCCCCCC2)n(C)c1=O | 10.1016/j.ejmech.2011.05.023 | ||
| CHEMBL2153629 | 80970 | 0 | None | -2 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 331 | 1 | 0 | 7 | 1.4 | Cn1c(=O)c2c(nc3n2CCN3C2CCCCCCC2)n(C)c1=O | 10.1016/j.ejmech.2011.05.023 | ||
| 162664296 | 182056 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 259 | 2 | 2 | 4 | 2.4 | CC1=C(c2ncc(C)o2)C(c2ccoc2)NC(=O)N1 | 10.1021/acs.jmedchem.0c01431 | ||
| CHEMBL4781559 | 182056 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 259 | 2 | 2 | 4 | 2.4 | CC1=C(c2ncc(C)o2)C(c2ccoc2)NC(=O)N1 | 10.1021/acs.jmedchem.0c01431 | ||
| 71683094 | 90180 | 0 | None | 2 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 328 | 4 | 1 | 4 | 3.4 | O=C(CCc1ccccc1F)Nc1nc2ccccc2c(=O)s1 | 10.1021/jm400336x | ||
| CHEMBL2382428 | 90180 | 0 | None | 2 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 328 | 4 | 1 | 4 | 3.4 | O=C(CCc1ccccc1F)Nc1nc2ccccc2c(=O)s1 | 10.1021/jm400336x | ||
| 10505816 | 30323 | 0 | None | -3 | 5 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 508 | 8 | 2 | 9 | 5.0 | COc1ccc(NC(=O)Nc2nc3nn(CCCc4ccccc4)cc3c3nc(-c4ccco4)nn23)cc1 | 10.1021/jm001047y | ||
| CHEMBL139182 | 30323 | 0 | None | -3 | 5 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 508 | 8 | 2 | 9 | 5.0 | COc1ccc(NC(=O)Nc2nc3nn(CCCc4ccccc4)cc3c3nc(-c4ccco4)nn23)cc1 | 10.1021/jm001047y | ||
| 162673763 | 183053 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 248 | 4 | 2 | 3 | 2.3 | CCCC(=O)C1=C(C)NC(=O)NC1c1ccco1 | 10.1021/acs.jmedchem.0c01431 | ||
| CHEMBL4794386 | 183053 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 248 | 4 | 2 | 3 | 2.3 | CCCC(=O)C1=C(C)NC(=O)NC1c1ccco1 | 10.1021/acs.jmedchem.0c01431 | ||
| 135522364 | 99881 | 0 | None | 17 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 480 | 8 | 3 | 9 | 2.8 | CCCn1c(=O)c2nc(-c3cc(NC(=O)Nc4ccc(OC)cc4)nn3C)[nH]c2n(CCC)c1=O | 10.1021/jm0309654 | ||
| CHEMBL286102 | 99881 | 0 | None | 17 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 480 | 8 | 3 | 9 | 2.8 | CCCn1c(=O)c2nc(-c3cc(NC(=O)Nc4ccc(OC)cc4)nn3C)[nH]c2n(CCC)c1=O | 10.1021/jm0309654 | ||
| 10859484 | 77629 | 0 | None | -5 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 298 | 3 | 2 | 9 | 1.3 | CCNc1c2c(nc(N)n3nc(-c4ccco4)nc23)nn1C | 10.1021/jm021023m | ||
| CHEMBL20888 | 77629 | 0 | None | -5 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 298 | 3 | 2 | 9 | 1.3 | CCNc1c2c(nc(N)n3nc(-c4ccco4)nc23)nn1C | 10.1021/jm021023m | ||
| CHEMBL544678 | 77629 | 0 | None | -5 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 298 | 3 | 2 | 9 | 1.3 | CCNc1c2c(nc(N)n3nc(-c4ccco4)nc23)nn1C | 10.1021/jm021023m | ||
| 9868991 | 118963 | 0 | None | 1 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 462 | 5 | 2 | 8 | 5.0 | CC(C)=CCn1cc2c(nc(NC(=O)Nc3cccc(Cl)c3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm001047y | ||
| CHEMBL342500 | 118963 | 0 | None | 1 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 462 | 5 | 2 | 8 | 5.0 | CC(C)=CCn1cc2c(nc(NC(=O)Nc3cccc(Cl)c3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm001047y | ||
| 10791347 | 165140 | 0 | None | -7 | 6 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 494 | 7 | 2 | 9 | 4.6 | COc1ccc(NC(=O)Nc2nc3nn(CCc4ccccc4)cc3c3nc(-c4ccco4)nn23)cc1 | 10.1021/jm001047y | ||
| CHEMBL422820 | 165140 | 0 | None | -7 | 6 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 494 | 7 | 2 | 9 | 4.6 | COc1ccc(NC(=O)Nc2nc3nn(CCc4ccccc4)cc3c3nc(-c4ccco4)nn23)cc1 | 10.1021/jm001047y | ||
| 44574167 | 178682 | 0 | None | 6 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 405 | 4 | 2 | 7 | 2.4 | Cn1c(=O)c2[nH]c(-c3ccc(COC(=O)Nc4ccccn4)cc3)cc2n(C)c1=O | 10.1016/j.bmc.2009.03.062 | ||
| CHEMBL468296 | 178682 | 0 | None | 6 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 405 | 4 | 2 | 7 | 2.4 | Cn1c(=O)c2[nH]c(-c3ccc(COC(=O)Nc4ccccn4)cc3)cc2n(C)c1=O | 10.1016/j.bmc.2009.03.062 | ||
| 12295530 | 99749 | 15 | None | 3 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 228 | 1 | 3 | 3 | 0.6 | O=c1[nH]c(=O)c2[nH]c(-c3ccccc3)nc2[nH]1 | 10.1021/jm011049y | ||
| CHEMBL285191 | 99749 | 15 | None | 3 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 228 | 1 | 3 | 3 | 0.6 | O=c1[nH]c(=O)c2[nH]c(-c3ccccc3)nc2[nH]1 | 10.1021/jm011049y | ||
| 45486932 | 196993 | 3 | None | -6 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 267 | 5 | 1 | 5 | 2.5 | CCn1cnc2c(NCCc3ccccc3)ncnc21 | 10.1039/C5MD00034C | ||
| CHEMBL567012 | 196993 | 3 | None | -6 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 267 | 5 | 1 | 5 | 2.5 | CCn1cnc2c(NCCc3ccccc3)ncnc21 | 10.1039/C5MD00034C | ||
| 137175187 | 138941 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 304 | 3 | 1 | 7 | 2.6 | CC1=C(C(=O)OC(C)C)C(c2ccsc2)n2ncnc2N1 | 10.1021/acs.jmedchem.5b01586 | ||
| CHEMBL3785256 | 138941 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 304 | 3 | 1 | 7 | 2.6 | CC1=C(C(=O)OC(C)C)C(c2ccsc2)n2ncnc2N1 | 10.1021/acs.jmedchem.5b01586 | ||
| 44406555 | 72834 | 0 | None | 5 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 490 | 9 | 1 | 11 | 2.7 | CCCn1c(=O)c2nc(-c3cnn(Cc4nc(-c5ccccc5OC)no4)c3)[nH]c2n(CCC)c1=O | 10.1016/j.bmcl.2005.10.002 | ||
| CHEMBL200278 | 72834 | 0 | None | 5 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 490 | 9 | 1 | 11 | 2.7 | CCCn1c(=O)c2nc(-c3cnn(Cc4nc(-c5ccccc5OC)no4)c3)[nH]c2n(CCC)c1=O | 10.1016/j.bmcl.2005.10.002 | ||
| 44406562 | 134177 | 0 | None | 7 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 490 | 9 | 1 | 11 | 2.7 | CCCn1c(=O)c2nc(-c3cnn(Cc4nc(-c5cccc(OC)c5)no4)c3)[nH]c2n(CCC)c1=O | 10.1016/j.bmcl.2005.10.002 | ||
| CHEMBL371676 | 134177 | 0 | None | 7 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 490 | 9 | 1 | 11 | 2.7 | CCCn1c(=O)c2nc(-c3cnn(Cc4nc(-c5cccc(OC)c5)no4)c3)[nH]c2n(CCC)c1=O | 10.1016/j.bmcl.2005.10.002 | ||
| 22266738 | 166260 | 0 | None | 6 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 493 | 8 | 1 | 9 | 3.9 | CCCn1c(=O)c2nc(-c3cnn(Cc4cc(-c5ccc(Cl)cc5)on4)c3)[nH]c2n(CCC)c1=O | 10.1016/j.bmcl.2005.10.002 | ||
| CHEMBL427016 | 166260 | 0 | None | 6 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 493 | 8 | 1 | 9 | 3.9 | CCCn1c(=O)c2nc(-c3cnn(Cc4cc(-c5ccc(Cl)cc5)on4)c3)[nH]c2n(CCC)c1=O | 10.1016/j.bmcl.2005.10.002 | ||
| 5353365 | 1199 | 32 | None | -263 | 6 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 330 | 2 | 0 | 6 | 1.8 | Clc1cccc(c1)/C=C/c1nc2c(n1C)c(=O)n(c(=O)n2C)C | 10.1021/jm400336x | ||
| 5609 | 1199 | 32 | None | -263 | 6 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 330 | 2 | 0 | 6 | 1.8 | Clc1cccc(c1)/C=C/c1nc2c(n1C)c(=O)n(c(=O)n2C)C | 10.1021/jm400336x | ||
| CHEMBL26138 | 1199 | 32 | None | -263 | 6 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 330 | 2 | 0 | 6 | 1.8 | Clc1cccc(c1)/C=C/c1nc2c(n1C)c(=O)n(c(=O)n2C)C | 10.1021/jm400336x | ||
| 44236417 | 158668 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 452 | 7 | 1 | 9 | 0.8 | CCCn1c(=O)c2[nH]c(-c3cnn(CC#CCN4CCN(C)CC4)c3)nc2n(CCC)c1=O | 10.1016/j.ejmech.2017.04.014 | ||
| CHEMBL4093116 | 158668 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 452 | 7 | 1 | 9 | 0.8 | CCCn1c(=O)c2[nH]c(-c3cnn(CC#CCN4CCN(C)CC4)c3)nc2n(CCC)c1=O | 10.1016/j.ejmech.2017.04.014 | ||
| 21958814 | 135619 | 0 | None | 11 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 490 | 9 | 1 | 11 | 2.7 | CCCn1c(=O)c2nc(-c3cnn(Cc4noc(-c5ccccc5OC)n4)c3)[nH]c2n(CCC)c1=O | 10.1016/j.bmcl.2005.10.002 | ||
| CHEMBL372951 | 135619 | 0 | None | 11 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 490 | 9 | 1 | 11 | 2.7 | CCCn1c(=O)c2nc(-c3cnn(Cc4noc(-c5ccccc5OC)n4)c3)[nH]c2n(CCC)c1=O | 10.1016/j.bmcl.2005.10.002 | ||
| 11706151 | 72007 | 0 | None | -1 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 508 | 10 | 2 | 6 | 4.3 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NCc4ccccc4)cc3)c(Cl)c2n(CCC)c1=O | 10.1021/jm0506221 | ||
| CHEMBL197605 | 72007 | 0 | None | -1 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 508 | 10 | 2 | 6 | 4.3 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NCc4ccccc4)cc3)c(Cl)c2n(CCC)c1=O | 10.1021/jm0506221 | ||
| 11519361 | 74983 | 0 | None | 3 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 528 | 9 | 2 | 6 | 5.3 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccccc4Cl)cc3)c(Cl)c2n(CCC)c1=O | 10.1021/jm0506221 | ||
| CHEMBL203359 | 74983 | 0 | None | 3 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 528 | 9 | 2 | 6 | 5.3 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccccc4Cl)cc3)c(Cl)c2n(CCC)c1=O | 10.1021/jm0506221 | ||
| 46228016 | 201844 | 0 | None | -2 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 410 | 8 | 1 | 7 | 2.9 | CCSCCn1c(=O)c2[nH]c(Cc3ccccc3)nc2n(Cc2ccco2)c1=O | 10.1016/j.bmc.2009.07.034 | ||
| CHEMBL607258 | 201844 | 0 | None | -2 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 410 | 8 | 1 | 7 | 2.9 | CCSCCn1c(=O)c2[nH]c(Cc3ccccc3)nc2n(Cc2ccco2)c1=O | 10.1016/j.bmc.2009.07.034 | ||
| 12150 | 2319 | 2 | None | -100 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 399 | 4 | 3 | 9 | 1.9 | O[C@H]1[C@@H](O)[C@H](n2c3nc(C#CCCCC)nc(N)c3nc2c2cccs2)OC1 | 10.1021/acs.jmedchem.2c00462 | ||
| 164885960 | 2319 | 2 | None | -100 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 399 | 4 | 3 | 9 | 1.9 | O[C@H]1[C@@H](O)[C@H](n2c3nc(C#CCCCC)nc(N)c3nc2c2cccs2)OC1 | 10.1021/acs.jmedchem.2c00462 | ||
| CHEMBL5203469 | 2319 | 2 | None | -100 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 399 | 4 | 3 | 9 | 1.9 | O[C@H]1[C@@H](O)[C@H](n2c3nc(C#CCCCC)nc(N)c3nc2c2cccs2)OC1 | 10.1021/acs.jmedchem.2c00462 | ||
| 25188209 | 178735 | 0 | None | -20 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 311 | 3 | 1 | 8 | 1.6 | Nc1nc(-c2ncco2)c2nnn(Cc3ccccc3F)c2n1 | 10.1021/jm800961g | ||
| CHEMBL468701 | 178735 | 0 | None | -20 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 311 | 3 | 1 | 8 | 1.6 | Nc1nc(-c2ncco2)c2nnn(Cc3ccccc3F)c2n1 | 10.1021/jm800961g | ||
| 135543600 | 16298 | 0 | None | -933 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 336 | 6 | 1 | 6 | 3.4 | CCCCc1nc2[nH]cnc2c2nc(-c3ccc(OCC)cc3)nn12 | 10.1021/jm010570p | ||
| CHEMBL122819 | 16298 | 0 | None | -933 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 336 | 6 | 1 | 6 | 3.4 | CCCCc1nc2[nH]cnc2c2nc(-c3ccc(OCC)cc3)nn12 | 10.1021/jm010570p | ||
| 21874641 | 189833 | 0 | None | -52 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 323 | 3 | 3 | 9 | 1.4 | Nc1nc(-c2ccco2)c2nnn(Cc3ccc(N)c(O)c3)c2n1 | 10.1021/jm800961g | ||
| CHEMBL516770 | 189833 | 0 | None | -52 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 323 | 3 | 3 | 9 | 1.4 | Nc1nc(-c2ccco2)c2nnn(Cc3ccc(N)c(O)c3)c2n1 | 10.1021/jm800961g | ||
| 2748297 | 181678 | 12 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 278 | 4 | 2 | 4 | 2.2 | CCC(C)OC(=O)C1=C(C)NC(=O)NC1c1ccco1 | 10.1021/acs.jmedchem.0c01431 | ||
| CHEMBL4776764 | 181678 | 12 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 278 | 4 | 2 | 4 | 2.2 | CCC(C)OC(=O)C1=C(C)NC(=O)NC1c1ccco1 | 10.1021/acs.jmedchem.0c01431 | ||
| 127030064 | 138951 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 303 | 3 | 1 | 6 | 3.2 | CC1=C(C(=O)OC(C)C)C(c2ccsc2)n2ccnc2N1 | 10.1021/acs.jmedchem.5b01586 | ||
| CHEMBL3785334 | 138951 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 303 | 3 | 1 | 6 | 3.2 | CC1=C(C(=O)OC(C)C)C(c2ccsc2)n2ccnc2N1 | 10.1021/acs.jmedchem.5b01586 | ||
| 44410691 | 138162 | 0 | None | -15848 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 460 | 9 | 5 | 10 | 0.3 | CCCCC[C@H](O)C#Cc1nc(NCC)c2ncn([C@@H]3O[C@H](C(=O)NCC)[C@@H](O)[C@H]3O)c2n1 | 10.1016/j.bmcl.2006.01.110 | ||
| CHEMBL376968 | 138162 | 0 | None | -15848 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 460 | 9 | 5 | 10 | 0.3 | CCCCC[C@H](O)C#Cc1nc(NCC)c2ncn([C@@H]3O[C@H](C(=O)NCC)[C@@H](O)[C@H]3O)c2n1 | 10.1016/j.bmcl.2006.01.110 | ||
| 135430228 | 110291 | 0 | None | 9 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 548 | 10 | 1 | 10 | 1.8 | CCCn1c(=O)c2nc(-c3cc(OCC(=O)N4CCN(Cc5ccccc5)CC4)nn3C)[nH]c2n(CCC)c1=O | 10.1021/jm0309654 | ||
| CHEMBL32388 | 110291 | 0 | None | 9 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 548 | 10 | 1 | 10 | 1.8 | CCCn1c(=O)c2nc(-c3cc(OCC(=O)N4CCN(Cc5ccccc5)CC4)nn3C)[nH]c2n(CCC)c1=O | 10.1021/jm0309654 | ||
| 11122708 | 120188 | 0 | None | -13 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 422 | 4 | 2 | 8 | 4.1 | CCn1cc2c(nc(NC(=O)Nc3ccc(Cl)cc3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm0109614 | ||
| CHEMBL352073 | 120188 | 0 | None | -13 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 422 | 4 | 2 | 8 | 4.1 | CCn1cc2c(nc(NC(=O)Nc3ccc(Cl)cc3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm0109614 | ||
| 16071781 | 57996 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 351 | 4 | 1 | 5 | 3.6 | O=C(Nc1cnc(-c2ccncc2Cl)c(-c2cccnc2)n1)C1CC1 | 10.1021/ml100249e | ||
| CHEMBL1672628 | 57996 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 351 | 4 | 1 | 5 | 3.6 | O=C(Nc1cnc(-c2ccncc2Cl)c(-c2cccnc2)n1)C1CC1 | 10.1021/ml100249e | ||
| 45268921 | 196092 | 0 | None | 2 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 317 | 6 | 2 | 6 | 0.9 | CCn1c(=O)c2[nH]c(-c3ccc[nH]3)nc2n(CCCOC)c1=O | 10.1016/j.bmc.2009.03.029 | ||
| CHEMBL560967 | 196092 | 0 | None | 2 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 317 | 6 | 2 | 6 | 0.9 | CCn1c(=O)c2[nH]c(-c3ccc[nH]3)nc2n(CCCOC)c1=O | 10.1016/j.bmc.2009.03.029 | ||
| 127034214 | 138955 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 287 | 3 | 1 | 6 | 2.7 | CC1=C(C(=O)OC(C)C)C(c2ccco2)n2ccnc2N1 | 10.1021/acs.jmedchem.5b01586 | ||
| CHEMBL3785381 | 138955 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 287 | 3 | 1 | 6 | 2.7 | CC1=C(C(=O)OC(C)C)C(c2ccco2)n2ccnc2N1 | 10.1021/acs.jmedchem.5b01586 | ||
| 12654835 | 56727 | 2 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 265 | 2 | 1 | 3 | 3.0 | O=C(Nc1ccccc1)c1coc2ccccc2c1=O | 10.1016/j.ejmech.2012.05.033 | ||
| CHEMBL1643120 | 56727 | 2 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 265 | 2 | 1 | 3 | 3.0 | O=C(Nc1ccccc1)c1coc2ccccc2c1=O | 10.1016/j.ejmech.2012.05.033 | ||
| 127043668 | 141146 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 524 | 11 | 0 | 10 | 2.3 | CCCn1c(=O)c2c(nc3n2CCCN3CCc2ccc(OCCN3CCOCC3)cc2)n(CCC)c1=O | 10.1016/j.bmc.2016.07.028 | ||
| CHEMBL3827920 | 141146 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 524 | 11 | 0 | 10 | 2.3 | CCCn1c(=O)c2c(nc3n2CCCN3CCc2ccc(OCCN3CCOCC3)cc2)n(CCC)c1=O | 10.1016/j.bmc.2016.07.028 | ||
| 45267987 | 194766 | 0 | None | -112 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 294 | 4 | 2 | 5 | 2.2 | Nc1nc(C(=O)NCc2ccccc2)cc(-c2ccco2)n1 | 10.1016/j.bmcl.2009.03.142 | ||
| CHEMBL538629 | 194766 | 0 | None | -112 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 294 | 4 | 2 | 5 | 2.2 | Nc1nc(C(=O)NCc2ccccc2)cc(-c2ccco2)n1 | 10.1016/j.bmcl.2009.03.142 | ||
| 44442019 | 154290 | 0 | None | -269 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 618 | 8 | 6 | 11 | 3.5 | CC(C)(C)c1cc(C(=O)NCCc2ccc(Nc3ncnc4c3ncn4[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)cc2)cc(C(C)(C)C)c1O | 10.1016/j.bmcl.2007.07.035 | ||
| CHEMBL398669 | 154290 | 0 | None | -269 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 618 | 8 | 6 | 11 | 3.5 | CC(C)(C)c1cc(C(=O)NCCc2ccc(Nc3ncnc4c3ncn4[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)cc2)cc(C(C)(C)C)c1O | 10.1016/j.bmcl.2007.07.035 | ||
| 135448286 | 109684 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 507 | 10 | 2 | 10 | 2.3 | CCCn1c(=O)c2nc(-c3cc(OCC(=O)Nc4ccc(C(C)=O)cc4)nn3C)[nH]c2n(CCC)c1=O | 10.1021/jm0309654 | ||
| CHEMBL32288 | 109684 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 507 | 10 | 2 | 10 | 2.3 | CCCn1c(=O)c2nc(-c3cc(OCC(=O)Nc4ccc(C(C)=O)cc4)nn3C)[nH]c2n(CCC)c1=O | 10.1021/jm0309654 | ||
| 135522390 | 119115 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 550 | 10 | 2 | 11 | 2.0 | CCCn1c(=O)c2nc(-c3cc(OCC(=O)Nc4ccc(N5CCOCC5)cc4)nn3C)[nH]c2n(CCC)c1=O | 10.1021/jm0309654 | ||
| CHEMBL34281 | 119115 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 550 | 10 | 2 | 11 | 2.0 | CCCn1c(=O)c2nc(-c3cc(OCC(=O)Nc4ccc(N5CCOCC5)cc4)nn3C)[nH]c2n(CCC)c1=O | 10.1021/jm0309654 | ||
| 145993331 | 166895 | 0 | None | -1 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 576 | 14 | 1 | 11 | 2.4 | CCCn1c(=O)c2c(nc3n2CCCN3CCc2ccc(OCC(=O)NCCCn3ccnc3)cc2)n(CCC)c1=O | 10.1039/C8MD00070K | ||
| CHEMBL4286634 | 166895 | 0 | None | -1 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 576 | 14 | 1 | 11 | 2.4 | CCCn1c(=O)c2c(nc3n2CCCN3CCc2ccc(OCC(=O)NCCCn3ccnc3)cc2)n(CCC)c1=O | 10.1039/C8MD00070K | ||
| 9860013 | 156959 | 0 | None | -616 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 261 | 2 | 0 | 5 | 3.9 | CC(C)c1nc(-c2nccs2)c2sccc2n1 | 10.1016/j.bmcl.2008.03.076 | ||
| CHEMBL407307 | 156959 | 0 | None | -616 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 261 | 2 | 0 | 5 | 3.9 | CC(C)c1nc(-c2nccs2)c2sccc2n1 | 10.1016/j.bmcl.2008.03.076 | ||
| 9860013 | 156959 | 0 | None | -616 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 261 | 2 | 0 | 5 | 3.9 | CC(C)c1nc(-c2nccs2)c2sccc2n1 | 10.1021/jm4011669 | ||
| CHEMBL407307 | 156959 | 0 | None | -616 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 261 | 2 | 0 | 5 | 3.9 | CC(C)c1nc(-c2nccs2)c2sccc2n1 | 10.1021/jm4011669 | ||
| 11037739 | 165520 | 0 | None | -6 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 450 | 6 | 2 | 8 | 4.8 | CCCCn1cc2c(nc(NC(=O)Nc3ccc(Cl)cc3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm0109614 | ||
| CHEMBL424161 | 165520 | 0 | None | -6 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 450 | 6 | 2 | 8 | 4.8 | CCCCn1cc2c(nc(NC(=O)Nc3ccc(Cl)cc3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm0109614 | ||
| 136042348 | 71147 | 0 | None | -1 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 508 | 9 | 2 | 10 | 2.5 | CCCn1c(=O)c2[nH]c(-c3cc(OCC(=O)Nc4ccc5c(c4)OCO5)nn3C)cc2n(CCC)c1=O | 10.1021/jm201292w | ||
| CHEMBL1955926 | 71147 | 0 | None | -1 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 508 | 9 | 2 | 10 | 2.5 | CCCn1c(=O)c2[nH]c(-c3cc(OCC(=O)Nc4ccc5c(c4)OCO5)nn3C)cc2n(CCC)c1=O | 10.1021/jm201292w | ||
| 44308015 | 103352 | 0 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 266 | 3 | 0 | 8 | -1.0 | CC(=O)OCCn1c(=O)c2c(ncn2C)n(C)c1=O | 10.1021/jm0104318 | ||
| CHEMBL308464 | 103352 | 0 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 266 | 3 | 0 | 8 | -1.0 | CC(=O)OCCn1c(=O)c2c(ncn2C)n(C)c1=O | 10.1021/jm0104318 | ||
| 135546648 | 109687 | 0 | None | 2 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 467 | 8 | 2 | 8 | 2.4 | CCCn1c(=O)c2nc(-c3cc(NC(=O)Cc4ccc(F)cc4)nn3C)[nH]c2n(CCC)c1=O | 10.1021/jm0309654 | ||
| CHEMBL32289 | 109687 | 0 | None | 2 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 467 | 8 | 2 | 8 | 2.4 | CCCn1c(=O)c2nc(-c3cc(NC(=O)Cc4ccc(F)cc4)nn3C)[nH]c2n(CCC)c1=O | 10.1021/jm0309654 | ||
| 11728808 | 120287 | 0 | None | -15 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 388 | 4 | 2 | 8 | 3.4 | CCn1cc2c(nc(NC(=O)Nc3ccccc3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm0109614 | ||
| CHEMBL352796 | 120287 | 0 | None | -15 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 388 | 4 | 2 | 8 | 3.4 | CCn1cc2c(nc(NC(=O)Nc3ccccc3)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm0109614 | ||
| 136042330 | 71127 | 0 | None | 52 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 506 | 9 | 3 | 10 | 2.3 | CCCn1c(=O)c2[nH]c(-c3cc(OCc4nc5cc(C(=O)O)ccc5[nH]4)nn3C)nc2n(CCC)c1=O | 10.1021/jm201292w | ||
| CHEMBL1955905 | 71127 | 0 | None | 52 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 506 | 9 | 3 | 10 | 2.3 | CCCn1c(=O)c2[nH]c(-c3cc(OCc4nc5cc(C(=O)O)ccc5[nH]4)nn3C)nc2n(CCC)c1=O | 10.1021/jm201292w | ||
| 21874782 | 176782 | 0 | None | -38 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 298 | 3 | 1 | 8 | 2.2 | Nc1nc(-c2ccco2)c2nnn(Cc3cccs3)c2n1 | 10.1021/jm800961g | ||
| CHEMBL460799 | 176782 | 0 | None | -38 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 298 | 3 | 1 | 8 | 2.2 | Nc1nc(-c2ccco2)c2nnn(Cc3cccs3)c2n1 | 10.1021/jm800961g | ||
| 377 | 2738 | 53 | None | -1479 | 15 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1016/j.bmcl.2006.01.110 | ||
| 425 | 2738 | 53 | None | -1479 | 15 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1016/j.bmcl.2006.01.110 | ||
| 448222 | 2738 | 53 | None | -1479 | 15 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1016/j.bmcl.2006.01.110 | ||
| CHEMBL464859 | 2738 | 53 | None | -1479 | 15 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10.1016/j.bmcl.2006.01.110 | ||
| 10267860 | 176799 | 0 | None | -12 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 317 | 3 | 1 | 8 | 2.0 | N#Cc1ccc(Cn2nnc3c(-c4ccco4)nc(N)nc32)cc1 | 10.1021/jm800961g | ||
| CHEMBL461007 | 176799 | 0 | None | -12 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 317 | 3 | 1 | 8 | 2.0 | N#Cc1ccc(Cn2nnc3c(-c4ccco4)nc(N)nc32)cc1 | 10.1021/jm800961g | ||
| 2748301 | 172263 | 8 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 312 | 4 | 2 | 4 | 2.7 | CC1=C(C(=O)OCc2ccccc2)C(c2ccco2)NC(=O)N1 | 10.1021/acs.jmedchem.0c01431 | ||
| CHEMBL4474844 | 172263 | 8 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 312 | 4 | 2 | 4 | 2.7 | CC1=C(C(=O)OCc2ccccc2)C(c2ccco2)NC(=O)N1 | 10.1021/acs.jmedchem.0c01431 | ||
| 44588436 | 174684 | 0 | None | -1 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 341 | 5 | 2 | 5 | 3.0 | CCCn1c(=O)c2[nH]c(-c3ccc(C)cc3)c(O)c2n(CCC)c1=O | 10.1016/j.bmc.2008.09.067 | ||
| CHEMBL455985 | 174684 | 0 | None | -1 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 341 | 5 | 2 | 5 | 3.0 | CCCn1c(=O)c2[nH]c(-c3ccc(C)cc3)c(O)c2n(CCC)c1=O | 10.1016/j.bmc.2008.09.067 | ||
| 46227950 | 199882 | 0 | None | 4 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 396 | 5 | 1 | 6 | 2.0 | C#CCn1c(=O)c2[nH]c(Cc3c(F)cccc3F)nc2n(Cc2ccco2)c1=O | 10.1016/j.bmc.2009.07.034 | ||
| CHEMBL594728 | 199882 | 0 | None | 4 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 396 | 5 | 1 | 6 | 2.0 | C#CCn1c(=O)c2[nH]c(Cc3c(F)cccc3F)nc2n(Cc2ccco2)c1=O | 10.1016/j.bmc.2009.07.034 | ||
| 46227995 | 201421 | 0 | None | 1 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 430 | 8 | 0 | 9 | 2.9 | CCSCCn1c(=O)c2c(nc(Cc3cccs3)n2C)n(Cc2ccco2)c1=O | 10.1016/j.bmc.2009.07.034 | ||
| CHEMBL604885 | 201421 | 0 | None | 1 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 430 | 8 | 0 | 9 | 2.9 | CCSCCn1c(=O)c2c(nc(Cc3cccs3)n2C)n(Cc2ccco2)c1=O | 10.1016/j.bmc.2009.07.034 | ||
| 44450875 | 96801 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 502 | 6 | 1 | 7 | 3.0 | COc1cc(OCC(=O)N2CCC(c3ccccc3)CC2)ccc1-c1cc2c([nH]1)c(=O)n(C)c(=O)n2C | 10.1016/j.bmc.2008.01.002 | ||
| CHEMBL265182 | 96801 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 502 | 6 | 1 | 7 | 3.0 | COc1cc(OCC(=O)N2CCC(c3ccccc3)CC2)ccc1-c1cc2c([nH]1)c(=O)n(C)c(=O)n2C | 10.1016/j.bmc.2008.01.002 | ||
| 44410406 | 75530 | 0 | None | -6760 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 472 | 6 | 5 | 10 | 0.3 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC)nc(C#CC(O)C4CCCCC4)nc32)[C@H](O)[C@@H]1O | 10.1016/j.bmcl.2006.01.110 | ||
| CHEMBL204526 | 75530 | 0 | None | -6760 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 472 | 6 | 5 | 10 | 0.3 | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC)nc(C#CC(O)C4CCCCC4)nc32)[C@H](O)[C@@H]1O | 10.1016/j.bmcl.2006.01.110 | ||
| 11198201 | 110650 | 7 | None | 3 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 327 | 5 | 2 | 6 | 2.0 | CCCn1c(=O)c2nc(-c3ccc(N)cc3)[nH]c2n(CCC)c1=O | 10.1021/jm0309654 | ||
| CHEMBL32598 | 110650 | 7 | None | 3 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 327 | 5 | 2 | 6 | 2.0 | CCCn1c(=O)c2nc(-c3ccc(N)cc3)[nH]c2n(CCC)c1=O | 10.1021/jm0309654 | ||
| 66894327 | 155950 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 559 | 9 | 1 | 9 | 3.5 | CCCn1c(=O)c2[nH]c(-c3cnn(CC4CC(=O)N(c5cccc(OC(F)(F)F)c5)C4)c3)nc2n(CCC)c1=O | 10.1016/j.ejmech.2016.11.007 | ||
| CHEMBL4061490 | 155950 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 559 | 9 | 1 | 9 | 3.5 | CCCn1c(=O)c2[nH]c(-c3cnn(CC4CC(=O)N(c5cccc(OC(F)(F)F)c5)C4)c3)nc2n(CCC)c1=O | 10.1016/j.ejmech.2016.11.007 | ||
| 66894035 | 156179 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 505 | 9 | 1 | 9 | 2.6 | CCCn1c(=O)c2[nH]c(-c3cnn(CC4CC(=O)N(c5ccc(OC)cc5)C4)c3)nc2n(CCC)c1=O | 10.1016/j.ejmech.2016.11.007 | ||
| CHEMBL4064289 | 156179 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 505 | 9 | 1 | 9 | 2.6 | CCCn1c(=O)c2[nH]c(-c3cnn(CC4CC(=O)N(c5ccc(OC)cc5)C4)c3)nc2n(CCC)c1=O | 10.1016/j.ejmech.2016.11.007 | ||
| 66894143 | 158418 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 519 | 9 | 1 | 7 | 3.9 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC4CC(=O)N(c5cccc(F)c5)C4)cc3)nc2n(CCC)c1=O | 10.1016/j.ejmech.2016.11.007 | ||
| CHEMBL4090483 | 158418 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 519 | 9 | 1 | 7 | 3.9 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC4CC(=O)N(c5cccc(F)c5)C4)cc3)nc2n(CCC)c1=O | 10.1016/j.ejmech.2016.11.007 | ||
| 9839378 | 140106 | 0 | None | 2 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 302 | 5 | 2 | 6 | 1.1 | CCCn1c(=O)c2nc(-c3cn[nH]c3)[nH]c2n(CCC)c1=O | 10.1021/jm051268+ | ||
| CHEMBL380176 | 140106 | 0 | None | 2 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 302 | 5 | 2 | 6 | 1.1 | CCCn1c(=O)c2nc(-c3cn[nH]c3)[nH]c2n(CCC)c1=O | 10.1021/jm051268+ | ||
| 10852506 | 106954 | 0 | None | -11 | 6 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 311 | 4 | 1 | 8 | 2.4 | CC(C)CCn1cc2c(nc(N)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm001047y | ||
| CHEMBL315150 | 106954 | 0 | None | -11 | 6 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 311 | 4 | 1 | 8 | 2.4 | CC(C)CCn1cc2c(nc(N)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm001047y | ||
| 44219684 | 195745 | 0 | None | 12 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 502 | 10 | 2 | 9 | 2.5 | CCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(C#N)cc4)cc3)nc2n(CCCOC)c1=O | 10.1016/j.bmc.2009.03.029 | ||
| CHEMBL557694 | 195745 | 0 | None | 12 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 502 | 10 | 2 | 9 | 2.5 | CCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(C#N)cc4)cc3)nc2n(CCCOC)c1=O | 10.1016/j.bmc.2009.03.029 | ||
| 44450955 | 167365 | 0 | None | 43 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 530 | 8 | 1 | 7 | 3.9 | CCCn1c(=O)n(C)c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCC(c5ccc(OC)cc5)CC4)cc3)cc21 | 10.1016/j.bmc.2008.01.002 | ||
| CHEMBL429512 | 167365 | 0 | None | 43 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 530 | 8 | 1 | 7 | 3.9 | CCCn1c(=O)n(C)c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCC(c5ccc(OC)cc5)CC4)cc3)cc21 | 10.1016/j.bmc.2008.01.002 | ||
| 10204847 | 74397 | 0 | None | 23 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 460 | 9 | 2 | 6 | 4.0 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccccc4)cc3)cc2n(CCC)c1=O | 10.1021/jm0506221 | ||
| CHEMBL202665 | 74397 | 0 | None | 23 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 460 | 9 | 2 | 6 | 4.0 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccccc4)cc3)cc2n(CCC)c1=O | 10.1021/jm0506221 | ||
| 136002248 | 71129 | 0 | None | 269 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 564 | 8 | 2 | 9 | 4.2 | CCCn1c(=O)c2[nH]c(-c3cc(OCc4nc5c(Cl)cc(C(F)(F)F)cc5[nH]4)nn3C)nc2n(CCC)c1=O | 10.1021/jm201292w | ||
| CHEMBL1955907 | 71129 | 0 | None | 269 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 564 | 8 | 2 | 9 | 4.2 | CCCn1c(=O)c2[nH]c(-c3cc(OCc4nc5c(Cl)cc(C(F)(F)F)cc5[nH]4)nn3C)nc2n(CCC)c1=O | 10.1021/jm201292w | ||
| 44574118 | 178782 | 0 | None | 1 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 422 | 4 | 2 | 6 | 3.1 | Cn1c(=O)c2[nH]c(-c3ccc(COC(=O)Nc4ccc(F)cc4)cc3)cc2n(C)c1=O | 10.1016/j.bmc.2009.03.062 | ||
| CHEMBL469119 | 178782 | 0 | None | 1 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 422 | 4 | 2 | 6 | 3.1 | Cn1c(=O)c2[nH]c(-c3ccc(COC(=O)Nc4ccc(F)cc4)cc3)cc2n(C)c1=O | 10.1016/j.bmc.2009.03.062 | ||
| 11612118 | 140664 | 0 | None | 11 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 450 | 7 | 2 | 6 | 3.3 | CCCn1c(=O)n(C)c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(F)cc4)cc3)cc21 | 10.1021/jm0506221 | ||
| CHEMBL381538 | 140664 | 0 | None | 11 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 450 | 7 | 2 | 6 | 3.3 | CCCn1c(=O)n(C)c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(F)cc4)cc3)cc21 | 10.1021/jm0506221 | ||
| 44450826 | 95847 | 0 | None | 25 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 524 | 8 | 1 | 6 | 3.9 | O=C(COc1ccc(-c2cc3c([nH]2)c(=O)n(CC2CC2)c(=O)n3CC2CC2)cc1)N1CCc2ccccc2C1 | 10.1016/j.bmc.2008.01.002 | ||
| CHEMBL259104 | 95847 | 0 | None | 25 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 524 | 8 | 1 | 6 | 3.9 | O=C(COc1ccc(-c2cc3c([nH]2)c(=O)n(CC2CC2)c(=O)n3CC2CC2)cc1)N1CCc2ccccc2C1 | 10.1016/j.bmc.2008.01.002 | ||
| 44451253 | 95986 | 0 | None | 33 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 491 | 5 | 1 | 7 | 2.1 | Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(c5ccc(F)cc5)CC4)cc3)cc2n(C)c1=O | 10.1016/j.bmc.2008.01.002 | ||
| CHEMBL259733 | 95986 | 0 | None | 33 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 491 | 5 | 1 | 7 | 2.1 | Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(c5ccc(F)cc5)CC4)cc3)cc2n(C)c1=O | 10.1016/j.bmc.2008.01.002 | ||
| 44450958 | 96022 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 548 | 6 | 1 | 6 | 4.2 | Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCC(c5ccccc5)(c5ccccc5)CC4)cc3)cc2n(C)c1=O | 10.1016/j.bmc.2008.01.002 | ||
| CHEMBL259931 | 96022 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 548 | 6 | 1 | 6 | 4.2 | Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCC(c5ccccc5)(c5ccccc5)CC4)cc3)cc2n(C)c1=O | 10.1016/j.bmc.2008.01.002 | ||
| 66893166 | 156940 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 493 | 8 | 1 | 8 | 2.8 | CCCn1c(=O)c2[nH]c(-c3cnn(CC4CC(=O)N(c5ccc(F)cc5)C4)c3)nc2n(CCC)c1=O | 10.1016/j.ejmech.2016.11.007 | ||
| CHEMBL4072877 | 156940 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 493 | 8 | 1 | 8 | 2.8 | CCCn1c(=O)c2[nH]c(-c3cnn(CC4CC(=O)N(c5ccc(F)cc5)C4)c3)nc2n(CCC)c1=O | 10.1016/j.ejmech.2016.11.007 | ||
| 11656075 | 72279 | 0 | None | 2 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 488 | 10 | 2 | 6 | 4.8 | CCCn1c(=O)c2[nH]c(-c3ccc(OC(CC)C(=O)Nc4ccccc4)cc3)cc2n(CCC)c1=O | 10.1021/jm0506221 | ||
| CHEMBL198338 | 72279 | 0 | None | 2 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 488 | 10 | 2 | 6 | 4.8 | CCCn1c(=O)c2[nH]c(-c3ccc(OC(CC)C(=O)Nc4ccccc4)cc3)cc2n(CCC)c1=O | 10.1021/jm0506221 | ||
| 2690 | 900 | 66 | None | -30 | 9 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 285 | 1 | 1 | 6 | 2.8 | Clc1ccc2c(c1)c1nc(nn1c(n2)N)c1ccco1 | 10.1021/jm900413e | ||
| 384 | 900 | 66 | None | -30 | 9 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 285 | 1 | 1 | 6 | 2.8 | Clc1ccc2c(c1)c1nc(nn1c(n2)N)c1ccco1 | 10.1021/jm900413e | ||
| CHEMBL16687 | 900 | 66 | None | -30 | 9 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 285 | 1 | 1 | 6 | 2.8 | Clc1ccc2c(c1)c1nc(nn1c(n2)N)c1ccco1 | 10.1021/jm900413e | ||
| 57429610 | 158825 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 486 | 6 | 1 | 8 | 3.1 | CCCn1c(=O)c2[nH]c(-c3cnn(CC#Cc4ccc(OC(F)(F)F)cc4)c3)nc2n(CC)c1=O | 10.1016/j.ejmech.2017.04.014 | ||
| CHEMBL4094840 | 158825 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 486 | 6 | 1 | 8 | 3.1 | CCCn1c(=O)c2[nH]c(-c3cnn(CC#Cc4ccc(OC(F)(F)F)cc4)c3)nc2n(CC)c1=O | 10.1016/j.ejmech.2017.04.014 | ||
| 135499926 | 99895 | 0 | None | 1 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 623 | 11 | 2 | 9 | 4.9 | CCCn1c(=O)c2nc(-c3cc(NC(=O)Cc4ccc(OCc5cccc(C(F)(F)F)c5)cc4)nn3C)[nH]c2n(CCC)c1=O | 10.1021/jm0309654 | ||
| CHEMBL286212 | 99895 | 0 | None | 1 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 623 | 11 | 2 | 9 | 4.9 | CCCn1c(=O)c2nc(-c3cc(NC(=O)Cc4ccc(OCc5cccc(C(F)(F)F)c5)cc4)nn3C)[nH]c2n(CCC)c1=O | 10.1021/jm0309654 | ||
| 135465778 | 100375 | 0 | None | 22 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 480 | 8 | 3 | 9 | 2.8 | CCCn1c(=O)c2nc(-c3cc(NC(=O)Nc4cccc(OC)c4)nn3C)[nH]c2n(CCC)c1=O | 10.1021/jm0309654 | ||
| CHEMBL290105 | 100375 | 0 | None | 22 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 480 | 8 | 3 | 9 | 2.8 | CCCn1c(=O)c2nc(-c3cc(NC(=O)Nc4cccc(OC)c4)nn3C)[nH]c2n(CCC)c1=O | 10.1021/jm0309654 | ||
| 216466 | 3816 | 32 | None | -123 | 6 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 416 | 8 | 2 | 6 | 3.2 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C12CCC(CC1)(CC2)CCC(=O)O | 10.1016/j.bmc.2010.01.072 | ||
| 5605 | 3816 | 32 | None | -123 | 6 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 416 | 8 | 2 | 6 | 3.2 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C12CCC(CC1)(CC2)CCC(=O)O | 10.1016/j.bmc.2010.01.072 | ||
| CHEMBL386974 | 3816 | 32 | None | -123 | 6 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 416 | 8 | 2 | 6 | 3.2 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C12CCC(CC1)(CC2)CCC(=O)O | 10.1016/j.bmc.2010.01.072 | ||
| CHEMBL414157 | 3816 | 32 | None | -123 | 6 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 416 | 8 | 2 | 6 | 3.2 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C12CCC(CC1)(CC2)CCC(=O)O | 10.1016/j.bmc.2010.01.072 | ||
| DB12569 | 3816 | 32 | None | -123 | 6 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 416 | 8 | 2 | 6 | 3.2 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C12CCC(CC1)(CC2)CCC(=O)O | 10.1016/j.bmc.2010.01.072 | ||
| 216466 | 3816 | 32 | None | -123 | 6 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 416 | 8 | 2 | 6 | 3.2 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C12CCC(CC1)(CC2)CCC(=O)O | 10.1021/jm060539t | ||
| 5605 | 3816 | 32 | None | -123 | 6 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 416 | 8 | 2 | 6 | 3.2 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C12CCC(CC1)(CC2)CCC(=O)O | 10.1021/jm060539t | ||
| CHEMBL386974 | 3816 | 32 | None | -123 | 6 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 416 | 8 | 2 | 6 | 3.2 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C12CCC(CC1)(CC2)CCC(=O)O | 10.1021/jm060539t | ||
| CHEMBL414157 | 3816 | 32 | None | -123 | 6 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 416 | 8 | 2 | 6 | 3.2 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C12CCC(CC1)(CC2)CCC(=O)O | 10.1021/jm060539t | ||
| DB12569 | 3816 | 32 | None | -123 | 6 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 416 | 8 | 2 | 6 | 3.2 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C12CCC(CC1)(CC2)CCC(=O)O | 10.1021/jm060539t | ||
| 216466 | 3816 | 32 | None | -123 | 6 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 416 | 8 | 2 | 6 | 3.2 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C12CCC(CC1)(CC2)CCC(=O)O | 10.1021/jm0605381 | ||
| 5605 | 3816 | 32 | None | -123 | 6 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 416 | 8 | 2 | 6 | 3.2 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C12CCC(CC1)(CC2)CCC(=O)O | 10.1021/jm0605381 | ||
| CHEMBL386974 | 3816 | 32 | None | -123 | 6 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 416 | 8 | 2 | 6 | 3.2 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C12CCC(CC1)(CC2)CCC(=O)O | 10.1021/jm0605381 | ||
| CHEMBL414157 | 3816 | 32 | None | -123 | 6 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 416 | 8 | 2 | 6 | 3.2 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C12CCC(CC1)(CC2)CCC(=O)O | 10.1021/jm0605381 | ||
| DB12569 | 3816 | 32 | None | -123 | 6 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 416 | 8 | 2 | 6 | 3.2 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C12CCC(CC1)(CC2)CCC(=O)O | 10.1021/jm0605381 | ||
| 136414898 | 157402 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 510 | 9 | 1 | 9 | 2.9 | CCCn1c(=O)c2[nH]c(-c3cc(OCC4CC(=O)N(c5cccc(F)c5)C4)no3)nc2n(CCC)c1=O | 10.1016/j.ejmech.2016.11.007 | ||
| CHEMBL4078707 | 157402 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 510 | 9 | 1 | 9 | 2.9 | CCCn1c(=O)c2[nH]c(-c3cc(OCC4CC(=O)N(c5cccc(F)c5)C4)no3)nc2n(CCC)c1=O | 10.1016/j.ejmech.2016.11.007 | ||
| 10696675 | 28865 | 0 | None | 1 | 6 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 498 | 6 | 2 | 8 | 5.3 | O=C(Nc1cccc(Cl)c1)Nc1nc2nn(CCc3ccccc3)cc2c2nc(-c3ccco3)nn12 | 10.1021/jm001047y | ||
| CHEMBL137950 | 28865 | 0 | None | 1 | 6 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 498 | 6 | 2 | 8 | 5.3 | O=C(Nc1cccc(Cl)c1)Nc1nc2nn(CCc3ccccc3)cc2c2nc(-c3ccco3)nn12 | 10.1021/jm001047y | ||
| 10587109 | 118759 | 0 | None | -31 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 255 | 1 | 1 | 8 | 0.9 | Cn1cc2c(nc(N)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm001047y | ||
| CHEMBL342059 | 118759 | 0 | None | -31 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 255 | 1 | 1 | 8 | 0.9 | Cn1cc2c(nc(N)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm001047y | ||
| 10587109 | 118759 | 0 | None | -31 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 255 | 1 | 1 | 8 | 0.9 | Cn1cc2c(nc(N)n3nc(-c4ccco4)nc23)n1 | 10.1016/j.ejmech.2015.12.019 | ||
| CHEMBL342059 | 118759 | 0 | None | -31 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 255 | 1 | 1 | 8 | 0.9 | Cn1cc2c(nc(N)n3nc(-c4ccco4)nc23)n1 | 10.1016/j.ejmech.2015.12.019 | ||
| 24827594 | 157795 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 274 | 3 | 2 | 5 | 1.2 | CCOC(=O)C1=C(C)N/C(=N\C#N)NC1c1ccco1 | 10.1021/acs.jmedchem.7b00138 | ||
| CHEMBL4083334 | 157795 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 274 | 3 | 2 | 5 | 1.2 | CCOC(=O)C1=C(C)N/C(=N\C#N)NC1c1ccco1 | 10.1021/acs.jmedchem.7b00138 | ||
| 2153 | 3771 | 115 | None | -21 | 14 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 180 | 0 | 1 | 5 | -1.0 | Cn1c(=O)n(C)c2c(c1=O)[nH]cn2 | 10.1016/j.ejmech.2016.11.007 | ||
| 2620 | 3771 | 115 | None | -21 | 14 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 180 | 0 | 1 | 5 | -1.0 | Cn1c(=O)n(C)c2c(c1=O)[nH]cn2 | 10.1016/j.ejmech.2016.11.007 | ||
| 413 | 3771 | 115 | None | -21 | 14 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 180 | 0 | 1 | 5 | -1.0 | Cn1c(=O)n(C)c2c(c1=O)[nH]cn2 | 10.1016/j.ejmech.2016.11.007 | ||
| CHEMBL190 | 3771 | 115 | None | -21 | 14 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 180 | 0 | 1 | 5 | -1.0 | Cn1c(=O)n(C)c2c(c1=O)[nH]cn2 | 10.1016/j.ejmech.2016.11.007 | ||
| DB00277 | 3771 | 115 | None | -21 | 14 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 180 | 0 | 1 | 5 | -1.0 | Cn1c(=O)n(C)c2c(c1=O)[nH]cn2 | 10.1016/j.ejmech.2016.11.007 | ||
| 162666447 | 182264 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 259 | 2 | 2 | 4 | 2.4 | CC1=C(c2ncc(C)o2)C(c2ccco2)NC(=O)N1 | 10.1021/acs.jmedchem.0c01431 | ||
| CHEMBL4783984 | 182264 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 259 | 2 | 2 | 4 | 2.4 | CC1=C(c2ncc(C)o2)C(c2ccco2)NC(=O)N1 | 10.1021/acs.jmedchem.0c01431 | ||
| 9968253 | 190165 | 0 | None | -223 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 350 | 4 | 1 | 9 | 1.9 | COC(=O)c1cccc(Cn2nnc3c(-c4ccco4)nc(N)nc32)c1 | 10.1021/jm800961g | ||
| CHEMBL517429 | 190165 | 0 | None | -223 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 350 | 4 | 1 | 9 | 1.9 | COC(=O)c1cccc(Cn2nnc3c(-c4ccco4)nc(N)nc32)c1 | 10.1021/jm800961g | ||
| 2153 | 3771 | 115 | None | -21 | 14 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 180 | 0 | 1 | 5 | -1.0 | Cn1c(=O)n(C)c2c(c1=O)[nH]cn2 | 10.1021/jm0104318 | ||
| 2620 | 3771 | 115 | None | -21 | 14 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 180 | 0 | 1 | 5 | -1.0 | Cn1c(=O)n(C)c2c(c1=O)[nH]cn2 | 10.1021/jm0104318 | ||
| 413 | 3771 | 115 | None | -21 | 14 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 180 | 0 | 1 | 5 | -1.0 | Cn1c(=O)n(C)c2c(c1=O)[nH]cn2 | 10.1021/jm0104318 | ||
| CHEMBL190 | 3771 | 115 | None | -21 | 14 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 180 | 0 | 1 | 5 | -1.0 | Cn1c(=O)n(C)c2c(c1=O)[nH]cn2 | 10.1021/jm0104318 | ||
| DB00277 | 3771 | 115 | None | -21 | 14 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 180 | 0 | 1 | 5 | -1.0 | Cn1c(=O)n(C)c2c(c1=O)[nH]cn2 | 10.1021/jm0104318 | ||
| 2153 | 3771 | 115 | None | -21 | 14 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 180 | 0 | 1 | 5 | -1.0 | Cn1c(=O)n(C)c2c(c1=O)[nH]cn2 | 10.1016/j.bmc.2010.01.072 | ||
| 2153 | 3771 | 115 | None | -21 | 14 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 180 | 0 | 1 | 5 | -1.0 | Cn1c(=O)n(C)c2c(c1=O)[nH]cn2 | 10.1016/j.bmc.2013.09.044 | ||
| 2620 | 3771 | 115 | None | -21 | 14 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 180 | 0 | 1 | 5 | -1.0 | Cn1c(=O)n(C)c2c(c1=O)[nH]cn2 | 10.1016/j.bmc.2010.01.072 | ||
| 2620 | 3771 | 115 | None | -21 | 14 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 180 | 0 | 1 | 5 | -1.0 | Cn1c(=O)n(C)c2c(c1=O)[nH]cn2 | 10.1016/j.bmc.2013.09.044 | ||
| 413 | 3771 | 115 | None | -21 | 14 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 180 | 0 | 1 | 5 | -1.0 | Cn1c(=O)n(C)c2c(c1=O)[nH]cn2 | 10.1016/j.bmc.2010.01.072 | ||
| 413 | 3771 | 115 | None | -21 | 14 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 180 | 0 | 1 | 5 | -1.0 | Cn1c(=O)n(C)c2c(c1=O)[nH]cn2 | 10.1016/j.bmc.2013.09.044 | ||
| CHEMBL190 | 3771 | 115 | None | -21 | 14 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 180 | 0 | 1 | 5 | -1.0 | Cn1c(=O)n(C)c2c(c1=O)[nH]cn2 | 10.1016/j.bmc.2010.01.072 | ||
| CHEMBL190 | 3771 | 115 | None | -21 | 14 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 180 | 0 | 1 | 5 | -1.0 | Cn1c(=O)n(C)c2c(c1=O)[nH]cn2 | 10.1016/j.bmc.2013.09.044 | ||
| DB00277 | 3771 | 115 | None | -21 | 14 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 180 | 0 | 1 | 5 | -1.0 | Cn1c(=O)n(C)c2c(c1=O)[nH]cn2 | 10.1016/j.bmc.2010.01.072 | ||
| DB00277 | 3771 | 115 | None | -21 | 14 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 180 | 0 | 1 | 5 | -1.0 | Cn1c(=O)n(C)c2c(c1=O)[nH]cn2 | 10.1016/j.bmc.2013.09.044 | ||
| 2153 | 3771 | 115 | None | -21 | 14 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 180 | 0 | 1 | 5 | -1.0 | Cn1c(=O)n(C)c2c(c1=O)[nH]cn2 | 10.1039/C8MD00070K | ||
| 2620 | 3771 | 115 | None | -21 | 14 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 180 | 0 | 1 | 5 | -1.0 | Cn1c(=O)n(C)c2c(c1=O)[nH]cn2 | 10.1039/C8MD00070K | ||
| 413 | 3771 | 115 | None | -21 | 14 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 180 | 0 | 1 | 5 | -1.0 | Cn1c(=O)n(C)c2c(c1=O)[nH]cn2 | 10.1039/C8MD00070K | ||
| CHEMBL190 | 3771 | 115 | None | -21 | 14 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 180 | 0 | 1 | 5 | -1.0 | Cn1c(=O)n(C)c2c(c1=O)[nH]cn2 | 10.1039/C8MD00070K | ||
| DB00277 | 3771 | 115 | None | -21 | 14 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 180 | 0 | 1 | 5 | -1.0 | Cn1c(=O)n(C)c2c(c1=O)[nH]cn2 | 10.1039/C8MD00070K | ||
| 2153 | 3771 | 115 | None | -21 | 14 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 180 | 0 | 1 | 5 | -1.0 | Cn1c(=O)n(C)c2c(c1=O)[nH]cn2 | 10.1021/acs.jmedchem.5b01586 | ||
| 2620 | 3771 | 115 | None | -21 | 14 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 180 | 0 | 1 | 5 | -1.0 | Cn1c(=O)n(C)c2c(c1=O)[nH]cn2 | 10.1021/acs.jmedchem.5b01586 | ||
| 413 | 3771 | 115 | None | -21 | 14 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 180 | 0 | 1 | 5 | -1.0 | Cn1c(=O)n(C)c2c(c1=O)[nH]cn2 | 10.1021/acs.jmedchem.5b01586 | ||
| CHEMBL190 | 3771 | 115 | None | -21 | 14 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 180 | 0 | 1 | 5 | -1.0 | Cn1c(=O)n(C)c2c(c1=O)[nH]cn2 | 10.1021/acs.jmedchem.5b01586 | ||
| DB00277 | 3771 | 115 | None | -21 | 14 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 180 | 0 | 1 | 5 | -1.0 | Cn1c(=O)n(C)c2c(c1=O)[nH]cn2 | 10.1021/acs.jmedchem.5b01586 | ||
| 2153 | 3771 | 115 | None | -21 | 14 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 180 | 0 | 1 | 5 | -1.0 | Cn1c(=O)n(C)c2c(c1=O)[nH]cn2 | 10.1016/j.ejmech.2019.111879 | ||
| 2620 | 3771 | 115 | None | -21 | 14 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 180 | 0 | 1 | 5 | -1.0 | Cn1c(=O)n(C)c2c(c1=O)[nH]cn2 | 10.1016/j.ejmech.2019.111879 | ||
| 413 | 3771 | 115 | None | -21 | 14 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 180 | 0 | 1 | 5 | -1.0 | Cn1c(=O)n(C)c2c(c1=O)[nH]cn2 | 10.1016/j.ejmech.2019.111879 | ||
| CHEMBL190 | 3771 | 115 | None | -21 | 14 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 180 | 0 | 1 | 5 | -1.0 | Cn1c(=O)n(C)c2c(c1=O)[nH]cn2 | 10.1016/j.ejmech.2019.111879 | ||
| DB00277 | 3771 | 115 | None | -21 | 14 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 180 | 0 | 1 | 5 | -1.0 | Cn1c(=O)n(C)c2c(c1=O)[nH]cn2 | 10.1016/j.ejmech.2019.111879 | ||
| 2153 | 3771 | 115 | None | -21 | 14 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 180 | 0 | 1 | 5 | -1.0 | Cn1c(=O)n(C)c2c(c1=O)[nH]cn2 | 10.1021/jm051268+ | ||
| 2620 | 3771 | 115 | None | -21 | 14 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 180 | 0 | 1 | 5 | -1.0 | Cn1c(=O)n(C)c2c(c1=O)[nH]cn2 | 10.1021/jm051268+ | ||
| 413 | 3771 | 115 | None | -21 | 14 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 180 | 0 | 1 | 5 | -1.0 | Cn1c(=O)n(C)c2c(c1=O)[nH]cn2 | 10.1021/jm051268+ | ||
| CHEMBL190 | 3771 | 115 | None | -21 | 14 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 180 | 0 | 1 | 5 | -1.0 | Cn1c(=O)n(C)c2c(c1=O)[nH]cn2 | 10.1021/jm051268+ | ||
| DB00277 | 3771 | 115 | None | -21 | 14 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 180 | 0 | 1 | 5 | -1.0 | Cn1c(=O)n(C)c2c(c1=O)[nH]cn2 | 10.1021/jm051268+ | ||
| 44390523 | 63786 | 0 | None | 1 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 500 | 9 | 1 | 9 | 4.3 | CCCn1c(=O)c2nc(-c3ccc(OCc4noc(-c5ccc(C)cc5)n4)cc3)[nH]c2n(CCC)c1=O | 10.1016/j.bmcl.2004.11.044 | ||
| CHEMBL180236 | 63786 | 0 | None | 1 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 500 | 9 | 1 | 9 | 4.3 | CCCn1c(=O)c2nc(-c3ccc(OCc4noc(-c5ccc(C)cc5)n4)cc3)[nH]c2n(CCC)c1=O | 10.1016/j.bmcl.2004.11.044 | ||
| 11584408 | 73349 | 0 | None | 7 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 518 | 10 | 2 | 6 | 4.2 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc([N+](C)(C)C)cc4)cc3)cc2n(CCC)c1=O | 10.1021/jm0506221 | ||
| CHEMBL201447 | 73349 | 0 | None | 7 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 518 | 10 | 2 | 6 | 4.2 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc([N+](C)(C)C)cc4)cc3)cc2n(CCC)c1=O | 10.1021/jm0506221 | ||
| 25066016 | 96160 | 2 | None | -275 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 259 | 2 | 0 | 5 | 3.7 | c1csc(-c2nc(C3CC3)nc3ccsc23)n1 | 10.1016/j.bmcl.2008.03.076 | ||
| CHEMBL260719 | 96160 | 2 | None | -275 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 259 | 2 | 0 | 5 | 3.7 | c1csc(-c2nc(C3CC3)nc3ccsc23)n1 | 10.1016/j.bmcl.2008.03.076 | ||
| 145993147 | 166936 | 0 | None | -1 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 581 | 13 | 1 | 11 | 1.5 | CCCn1c(=O)c2c(nc3n2CCCN3CCc2ccc(OCC(=O)NCCN3CCOCC3)cc2)n(CCC)c1=O | 10.1039/C8MD00070K | ||
| CHEMBL4287298 | 166936 | 0 | None | -1 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 581 | 13 | 1 | 11 | 1.5 | CCCn1c(=O)c2c(nc3n2CCCN3CCc2ccc(OCC(=O)NCCN3CCOCC3)cc2)n(CCC)c1=O | 10.1039/C8MD00070K | ||
| 21874722 | 176796 | 0 | None | -3 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 321 | 4 | 2 | 8 | 1.6 | NCc1ccc(Cn2nnc3c(-c4ccco4)nc(N)nc32)cc1 | 10.1021/jm800961g | ||
| CHEMBL460976 | 176796 | 0 | None | -3 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 321 | 4 | 2 | 8 | 1.6 | NCc1ccc(Cn2nnc3c(-c4ccco4)nc(N)nc32)cc1 | 10.1021/jm800961g | ||
| 11392671 | 195267 | 0 | None | -416 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 308 | 4 | 2 | 5 | 2.6 | Cc1ccccc1CNC(=O)c1cc(-c2ccco2)nc(N)n1 | 10.1016/j.bmcl.2009.03.142 | ||
| CHEMBL551368 | 195267 | 0 | None | -416 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 308 | 4 | 2 | 5 | 2.6 | Cc1ccccc1CNC(=O)c1cc(-c2ccco2)nc(N)n1 | 10.1016/j.bmcl.2009.03.142 | ||
| 156020727 | 178082 | 0 | None | -6 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 323 | 3 | 2 | 6 | 2.6 | CCOC(=O)C1=C(C)Nc2nc3ccccc3n2C1c1cn[nH]c1 | 10.1021/acs.jmedchem.0c00564 | ||
| CHEMBL4647965 | 178082 | 0 | None | -6 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 323 | 3 | 2 | 6 | 2.6 | CCOC(=O)C1=C(C)Nc2nc3ccccc3n2C1c1cn[nH]c1 | 10.1021/acs.jmedchem.0c00564 | ||
| 45270541 | 195177 | 0 | None | -194 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 312 | 4 | 2 | 5 | 2.4 | Nc1nc(C(=O)NCc2cccc(F)c2)cc(-c2ccco2)n1 | 10.1016/j.bmcl.2009.03.142 | ||
| CHEMBL550636 | 195177 | 0 | None | -194 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 312 | 4 | 2 | 5 | 2.4 | Nc1nc(C(=O)NCc2cccc(F)c2)cc(-c2ccco2)n1 | 10.1016/j.bmcl.2009.03.142 | ||
| 135483531 | 78512 | 0 | None | 1 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 543 | 9 | 2 | 9 | 2.9 | CCCn1c(=O)c2[nH]c(-c3cc(OCC(=O)Nc4ccc(Br)cc4)n(C)n3)nc2n(CCC)c1=O | 10.1021/jm0309654 | ||
| CHEMBL2112067 | 78512 | 0 | None | 1 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 543 | 9 | 2 | 9 | 2.9 | CCCn1c(=O)c2[nH]c(-c3cc(OCC(=O)Nc4ccc(Br)cc4)n(C)n3)nc2n(CCC)c1=O | 10.1021/jm0309654 | ||
| 45270544 | 195178 | 0 | None | 2 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 517 | 10 | 3 | 9 | 2.5 | CCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4nc5ccccc5[nH]4)cc3)nc2n(CCCOC)c1=O | 10.1016/j.bmc.2009.03.029 | ||
| CHEMBL550638 | 195178 | 0 | None | 2 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 517 | 10 | 3 | 9 | 2.5 | CCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4nc5ccccc5[nH]4)cc3)nc2n(CCCOC)c1=O | 10.1016/j.bmc.2009.03.029 | ||
| 46227957 | 201347 | 0 | None | 1 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 402 | 7 | 1 | 8 | 2.5 | CSCCn1c(=O)c2[nH]c(Cc3cccs3)nc2n(Cc2ccco2)c1=O | 10.1016/j.bmc.2009.07.034 | ||
| CHEMBL604492 | 201347 | 0 | None | 1 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 402 | 7 | 1 | 8 | 2.5 | CSCCn1c(=O)c2[nH]c(Cc3cccs3)nc2n(Cc2ccco2)c1=O | 10.1016/j.bmc.2009.07.034 | ||
| 44316058 | 205514 | 0 | None | -104 | 3 | Rat | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 468 | 11 | 4 | 6 | 4.8 | Oc1ccc(C[C@@H]2CCCN2CCCCCCN2CCC[C@@H]2Cc2ccc(O)c(O)c2)cc1O | 10.1016/0960-894X(95)00413-N | ||
| CHEMBL80974 | 205514 | 0 | None | -104 | 3 | Rat | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 468 | 11 | 4 | 6 | 4.8 | Oc1ccc(C[C@@H]2CCCN2CCCCCCN2CCC[C@@H]2Cc2ccc(O)c(O)c2)cc1O | 10.1016/0960-894X(95)00413-N | ||
| 21874520 | 176783 | 0 | None | -42 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 391 | 5 | 1 | 8 | 2.6 | CC(C)N(C)C(=O)c1cccc(Cn2nnc3c(-c4ccco4)nc(N)nc32)c1 | 10.1021/jm800961g | ||
| CHEMBL460805 | 176783 | 0 | None | -42 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 391 | 5 | 1 | 8 | 2.6 | CC(C)N(C)C(=O)c1cccc(Cn2nnc3c(-c4ccco4)nc(N)nc32)c1 | 10.1021/jm800961g | ||
| 44390571 | 64276 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 554 | 9 | 1 | 9 | 5.0 | CCCn1c(=O)c2nc(-c3ccc(OCc4nc(-c5cccc(C(F)(F)F)c5)no4)cc3)[nH]c2n(CCC)c1=O | 10.1016/j.bmcl.2004.11.044 | ||
| CHEMBL181067 | 64276 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 554 | 9 | 1 | 9 | 5.0 | CCCn1c(=O)c2nc(-c3ccc(OCc4nc(-c5cccc(C(F)(F)F)c5)no4)cc3)[nH]c2n(CCC)c1=O | 10.1016/j.bmcl.2004.11.044 | ||
| 101422 | 91517 | 15 | None | -2 | 3 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 218 | 1 | 0 | 6 | -0.9 | C#CCn1cnc2c1c(=O)n(C)c(=O)n2C | 10.1021/jm0104318 | ||
| CHEMBL24049 | 91517 | 15 | None | -2 | 3 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 218 | 1 | 0 | 6 | -0.9 | C#CCn1cnc2c1c(=O)n(C)c(=O)n2C | 10.1021/jm0104318 | ||
| 9794423 | 102151 | 1 | None | - | 1 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 218 | 1 | 0 | 6 | -0.9 | C#CCn1c(=O)n(C)c(=O)c2c1ncn2C | 10.1021/jm0104318 | ||
| CHEMBL302725 | 102151 | 1 | None | - | 1 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 218 | 1 | 0 | 6 | -0.9 | C#CCn1c(=O)n(C)c(=O)c2c1ncn2C | 10.1021/jm0104318 | ||
| 101446 | 92284 | 28 | None | 1 | 3 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 220 | 2 | 0 | 6 | -0.4 | C=CCn1cnc2c1c(=O)n(C)c(=O)n2C | 10.1021/jm0104318 | ||
| CHEMBL24289 | 92284 | 28 | None | 1 | 3 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 220 | 2 | 0 | 6 | -0.4 | C=CCn1cnc2c1c(=O)n(C)c(=O)n2C | 10.1021/jm0104318 | ||
| 44281663 | 168017 | 0 | None | 18 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 505 | 10 | 2 | 8 | 3.6 | CCCn1c(=O)c2nc(-c3ccc(NC(=O)Cc4ccc(OC)c(OC)c4)cc3)[nH]c2n(CCC)c1=O | 10.1021/jm0309654 | ||
| CHEMBL432273 | 168017 | 0 | None | 18 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 505 | 10 | 2 | 8 | 3.6 | CCCn1c(=O)c2nc(-c3ccc(NC(=O)Cc4ccc(OC)c(OC)c4)cc3)[nH]c2n(CCC)c1=O | 10.1021/jm0309654 | ||
| 162669067 | 182737 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 276 | 3 | 2 | 4 | 2.0 | CC1=C(C(=O)OC2CCC2)C(c2ccco2)NC(=O)N1 | 10.1021/acs.jmedchem.0c01431 | ||
| CHEMBL4790210 | 182737 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 276 | 3 | 2 | 4 | 2.0 | CC1=C(C(=O)OC2CCC2)C(c2ccco2)NC(=O)N1 | 10.1021/acs.jmedchem.0c01431 | ||
| 168288152 | 191806 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 394 | 6 | 1 | 7 | 2.0 | CCCn1c(=O)c2[nH]c(-c3cccc(S(=O)(=O)F)c3)nc2n(CCC)c1=O | 10.1039/d2md00132b | ||
| CHEMBL5198830 | 191806 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 394 | 6 | 1 | 7 | 2.0 | CCCn1c(=O)c2[nH]c(-c3cccc(S(=O)(=O)F)c3)nc2n(CCC)c1=O | 10.1039/d2md00132b | ||
| 135522363 | 170558 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 479 | 9 | 2 | 9 | 2.3 | CCCn1c(=O)c2nc(-c3cc(NC(=O)Cc4cccc(OC)c4)nn3C)[nH]c2n(CCC)c1=O | 10.1021/jm0309654 | ||
| CHEMBL445056 | 170558 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 479 | 9 | 2 | 9 | 2.3 | CCCn1c(=O)c2nc(-c3cc(NC(=O)Cc4cccc(OC)c4)nn3C)[nH]c2n(CCC)c1=O | 10.1021/jm0309654 | ||
| 137649307 | 157261 | 0 | None | -6 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 348 | 5 | 1 | 4 | 4.4 | COc1cccc(-c2cc(NC(C)=O)nc(-c3cccc(OC)c3)c2)c1 | 10.1021/acs.jmedchem.7b00860 | ||
| CHEMBL4076880 | 157261 | 0 | None | -6 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 348 | 5 | 1 | 4 | 4.4 | COc1cccc(-c2cc(NC(C)=O)nc(-c3cccc(OC)c3)c2)c1 | 10.1021/acs.jmedchem.7b00860 | ||
| 163215620 | 190319 | 0 | None | -398 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 318 | 3 | 2 | 6 | 1.8 | Nc1nc(C(=O)NCc2ccccn2)cn2c1nc1ccccc12 | 10.1021/acs.jmedchem.2c00101 | ||
| CHEMBL5176737 | 190319 | 0 | None | -398 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 318 | 3 | 2 | 6 | 1.8 | Nc1nc(C(=O)NCc2ccccn2)cn2c1nc1ccccc12 | 10.1021/acs.jmedchem.2c00101 | ||
| CHEMBL5203105 | 190319 | 0 | None | -398 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 318 | 3 | 2 | 6 | 1.8 | Nc1nc(C(=O)NCc2ccccn2)cn2c1nc1ccccc12 | 10.1021/acs.jmedchem.2c00101 | ||
| 155542720 | 173139 | 0 | None | 11 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 552 | 8 | 3 | 8 | 1.7 | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc(C(=O)O)cc5)CC4)cc3)[nH]c2c1=O | 10.1021/acs.jmedchem.9b00071 | ||
| CHEMBL4521715 | 173139 | 0 | None | 11 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 552 | 8 | 3 | 8 | 1.7 | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc(C(=O)O)cc5)CC4)cc3)[nH]c2c1=O | 10.1021/acs.jmedchem.9b00071 | ||
| 10998551 | 102090 | 0 | None | -1 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 220 | 1 | 2 | 4 | 0.5 | O=c1[nH]c2[nH]cnc2c(=O)n1C1CCCC1 | 10.1021/jm0104318 | ||
| CHEMBL302344 | 102090 | 0 | None | -1 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 220 | 1 | 2 | 4 | 0.5 | O=c1[nH]c2[nH]cnc2c(=O)n1C1CCCC1 | 10.1021/jm0104318 | ||
| 11004373 | 120226 | 0 | None | -10 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 422 | 4 | 2 | 8 | 4.1 | CCn1cc2c(nc(NC(=O)Nc3ccccc3Cl)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm0109614 | ||
| CHEMBL352345 | 120226 | 0 | None | -10 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 422 | 4 | 2 | 8 | 4.1 | CCn1cc2c(nc(NC(=O)Nc3ccccc3Cl)n3nc(-c4ccco4)nc23)n1 | 10.1021/jm0109614 | ||
| 46837841 | 10593 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 514 | 8 | 0 | 7 | 4.0 | CCCn1c(=O)c2c(cc(-c3ccc(OCC(=O)N4CCc5ccccc5C4)cc3)n2C)n(CCC)c1=O | 10.1016/j.ejmech.2010.03.011 | ||
| CHEMBL1170168 | 10593 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 514 | 8 | 0 | 7 | 4.0 | CCCn1c(=O)c2c(cc(-c3ccc(OCC(=O)N4CCc5ccccc5C4)cc3)n2C)n(CCC)c1=O | 10.1016/j.ejmech.2010.03.011 | ||
| 56627882 | 118486 | 0 | None | -194 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 367 | 3 | 3 | 12 | -0.9 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(N)nc(Cl)nc43)[C@H](O)[C@@H]2O)n1 | 10.1039/C5MD00086F | ||
| CHEMBL3414937 | 118486 | 0 | None | -194 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 367 | 3 | 3 | 12 | -0.9 | CCn1nnc([C@H]2O[C@@H](n3cnc4c(N)nc(Cl)nc43)[C@H](O)[C@@H]2O)n1 | 10.1039/C5MD00086F | ||
| 681 | 1453 | 72 | None | -15 | 39 | Rat | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | 10.1016/0960-894X(95)00413-N | ||
| 940 | 1453 | 72 | None | -15 | 39 | Rat | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | 10.1016/0960-894X(95)00413-N | ||
| 947 | 1453 | 72 | None | -15 | 39 | Rat | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | 10.1016/0960-894X(95)00413-N | ||
| CHEMBL59 | 1453 | 72 | None | -15 | 39 | Rat | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | 10.1016/0960-894X(95)00413-N | ||
| DB00988 | 1453 | 72 | None | -15 | 39 | Rat | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | 10.1016/0960-894X(95)00413-N | ||
| 156018247 | 177756 | 0 | None | -4 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 340 | 3 | 1 | 7 | 3.3 | CCOC(=O)C1=C(C)Nc2nc3ccccc3n2C1c1ccns1 | 10.1021/acs.jmedchem.0c00564 | ||
| CHEMBL4643113 | 177756 | 0 | None | -4 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 340 | 3 | 1 | 7 | 3.3 | CCOC(=O)C1=C(C)Nc2nc3ccccc3n2C1c1ccns1 | 10.1021/acs.jmedchem.0c00564 | ||
| 11524593 | 141253 | 0 | None | -1 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 420 | 9 | 1 | 7 | 3.4 | CCCCn1c(=O)c2nc(-c3cnn(Cc4ccccc4)c3)[nH]c2n(CCCC)c1=O | 10.1021/jm051268+ | ||
| CHEMBL383201 | 141253 | 0 | None | -1 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 420 | 9 | 1 | 7 | 3.4 | CCCCn1c(=O)c2nc(-c3cnn(Cc4ccccc4)c3)[nH]c2n(CCCC)c1=O | 10.1021/jm051268+ | ||
| 3123319 | 28686 | 7 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 252 | 2 | 2 | 5 | 1.7 | COC(=O)C1=C(C)N=C(S)NC1c1ccco1 | 10.1021/acs.jmedchem.0c01431 | ||
| CHEMBL1377918 | 28686 | 7 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 252 | 2 | 2 | 5 | 1.7 | COC(=O)C1=C(C)N=C(S)NC1c1ccco1 | 10.1021/acs.jmedchem.0c01431 | ||
| 19818540 | 75380 | 0 | None | -5 | 2 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 354 | 6 | 1 | 5 | 3.3 | CC(C)CCn1c(=O)c2nc(-c3ccccc3)[nH]c2n(CC(C)C)c1=O | 10.1021/jm0104318 | ||
| CHEMBL20402 | 75380 | 0 | None | -5 | 2 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 354 | 6 | 1 | 5 | 3.3 | CC(C)CCn1c(=O)c2nc(-c3ccccc3)[nH]c2n(CC(C)C)c1=O | 10.1021/jm0104318 | ||
| 11655061 | 139148 | 0 | None | -1 | 3 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 438 | 7 | 1 | 7 | 3.2 | CC(C)Cn1c(=O)c2nc(-c3cnn(Cc4cccc(F)c4)c3)[nH]c2n(CC(C)C)c1=O | 10.1021/jm051268+ | ||
| CHEMBL378743 | 139148 | 0 | None | -1 | 3 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 438 | 7 | 1 | 7 | 3.2 | CC(C)Cn1c(=O)c2nc(-c3cnn(Cc4cccc(F)c4)c3)[nH]c2n(CC(C)C)c1=O | 10.1021/jm051268+ | ||
| CHEMBL5079363 | 214592 | 0 | None | -457 | 4 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | None | None | None | Cc1cnc(-c2nc3c(-c4ccc(=O)n(C)c4)cnc(N)n3n2)s1 | 10.1021/acsmedchemlett.1c00599 | ||||
| 3284 | 3194 | 35 | None | -1 | 7 | Human | 9.4 | pKd | = | 9.4 | Binding | Guide to Pharmacology | 528 | 6 | 2 | 7 | 2.7 | CCCn1c(=O)[nH]c2c(c1=O)[nH]c(n2)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)Cl | 19569717 | ||
| 44185871 | 3194 | 35 | None | -1 | 7 | Human | 9.4 | pKd | = | 9.4 | Binding | Guide to Pharmacology | 528 | 6 | 2 | 7 | 2.7 | CCCn1c(=O)[nH]c2c(c1=O)[nH]c(n2)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)Cl | 19569717 | ||
| 5728 | 3194 | 35 | None | -1 | 7 | Human | 9.4 | pKd | = | 9.4 | Binding | Guide to Pharmacology | 528 | 6 | 2 | 7 | 2.7 | CCCn1c(=O)[nH]c2c(c1=O)[nH]c(n2)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)Cl | 19569717 | ||
| CHEMBL483688 | 3194 | 35 | None | -1 | 7 | Human | 9.4 | pKd | = | 9.4 | Binding | Guide to Pharmacology | 528 | 6 | 2 | 7 | 2.7 | CCCn1c(=O)[nH]c2c(c1=O)[nH]c(n2)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)Cl | 19569717 | ||
| 3284 | 3194 | 35 | None | -1 | 7 | Human | 9.4 | pKd | = | 9.4 | Binding | Guide to Pharmacology | 528 | 6 | 2 | 7 | 2.7 | CCCn1c(=O)[nH]c2c(c1=O)[nH]c(n2)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)Cl | 19569717 | ||
| 44185871 | 3194 | 35 | None | -1 | 7 | Human | 9.4 | pKd | = | 9.4 | Binding | Guide to Pharmacology | 528 | 6 | 2 | 7 | 2.7 | CCCn1c(=O)[nH]c2c(c1=O)[nH]c(n2)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)Cl | 19569717 | ||
| 5728 | 3194 | 35 | None | -1 | 7 | Human | 9.4 | pKd | = | 9.4 | Binding | Guide to Pharmacology | 528 | 6 | 2 | 7 | 2.7 | CCCn1c(=O)[nH]c2c(c1=O)[nH]c(n2)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)Cl | 19569717 | ||
| CHEMBL483688 | 3194 | 35 | None | -1 | 7 | Human | 9.4 | pKd | = | 9.4 | Binding | Guide to Pharmacology | 528 | 6 | 2 | 7 | 2.7 | CCCn1c(=O)[nH]c2c(c1=O)[nH]c(n2)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)Cl | 19569717 | ||
| 3284 | 3194 | 35 | None | 1 | 7 | Mouse | 9.5 | pKd | = | 9.5 | Binding | Guide to Pharmacology | 528 | 6 | 2 | 7 | 2.7 | CCCn1c(=O)[nH]c2c(c1=O)[nH]c(n2)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)Cl | 19569717 | ||
| 44185871 | 3194 | 35 | None | 1 | 7 | Mouse | 9.5 | pKd | = | 9.5 | Binding | Guide to Pharmacology | 528 | 6 | 2 | 7 | 2.7 | CCCn1c(=O)[nH]c2c(c1=O)[nH]c(n2)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)Cl | 19569717 | ||
| 5728 | 3194 | 35 | None | 1 | 7 | Mouse | 9.5 | pKd | = | 9.5 | Binding | Guide to Pharmacology | 528 | 6 | 2 | 7 | 2.7 | CCCn1c(=O)[nH]c2c(c1=O)[nH]c(n2)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)Cl | 19569717 | ||
| CHEMBL483688 | 3194 | 35 | None | 1 | 7 | Mouse | 9.5 | pKd | = | 9.5 | Binding | Guide to Pharmacology | 528 | 6 | 2 | 7 | 2.7 | CCCn1c(=O)[nH]c2c(c1=O)[nH]c(n2)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)Cl | 19569717 | ||
| 3284 | 3194 | 35 | None | 1 | 7 | Mouse | 9.5 | pKd | = | 9.5 | Binding | Guide to Pharmacology | 528 | 6 | 2 | 7 | 2.7 | CCCn1c(=O)[nH]c2c(c1=O)[nH]c(n2)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)Cl | 19569717 | ||
| 44185871 | 3194 | 35 | None | 1 | 7 | Mouse | 9.5 | pKd | = | 9.5 | Binding | Guide to Pharmacology | 528 | 6 | 2 | 7 | 2.7 | CCCn1c(=O)[nH]c2c(c1=O)[nH]c(n2)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)Cl | 19569717 | ||
| 5728 | 3194 | 35 | None | 1 | 7 | Mouse | 9.5 | pKd | = | 9.5 | Binding | Guide to Pharmacology | 528 | 6 | 2 | 7 | 2.7 | CCCn1c(=O)[nH]c2c(c1=O)[nH]c(n2)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)Cl | 19569717 | ||
| CHEMBL483688 | 3194 | 35 | None | 1 | 7 | Mouse | 9.5 | pKd | = | 9.5 | Binding | Guide to Pharmacology | 528 | 6 | 2 | 7 | 2.7 | CCCn1c(=O)[nH]c2c(c1=O)[nH]c(n2)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)Cl | 19569717 | ||
| 449 | 2625 | 52 | None | -1 | 9 | Human | 9.8 | pKd | = | 9.8 | Binding | Guide to Pharmacology | 486 | 9 | 2 | 8 | 3.3 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)C#N | 11266650 | ||
| 453 | 2625 | 52 | None | -1 | 9 | Human | 9.8 | pKd | = | 9.8 | Binding | Guide to Pharmacology | 486 | 9 | 2 | 8 | 3.3 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)C#N | 11266650 | ||
| 6603931 | 2625 | 52 | None | -1 | 9 | Human | 9.8 | pKd | = | 9.8 | Binding | Guide to Pharmacology | 486 | 9 | 2 | 8 | 3.3 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)C#N | 11266650 | ||
| CHEMBL273807 | 2625 | 52 | None | -1 | 9 | Human | 9.8 | pKd | = | 9.8 | Binding | Guide to Pharmacology | 486 | 9 | 2 | 8 | 3.3 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)C#N | 11266650 | ||
| 450 | 2949 | 9 | None | 257 | 4 | Human | 9.8 | pKd | None | 9.8 | Binding | Guide to Pharmacology | 525 | 10 | 3 | 6 | 3.6 | CC(=O)NCCNc1nc(nc2c1cc([nH]2)C(=O)N1CCN(CC1)CCCc1ccccc1)c1ccccc1 | 15194002 | ||
| 454 | 2949 | 9 | None | 257 | 4 | Human | 9.8 | pKd | None | 9.8 | Binding | Guide to Pharmacology | 525 | 10 | 3 | 6 | 3.6 | CC(=O)NCCNc1nc(nc2c1cc([nH]2)C(=O)N1CCN(CC1)CCCc1ccccc1)c1ccccc1 | 15194002 | ||
| 5311041 | 2949 | 9 | None | 257 | 4 | Human | 9.8 | pKd | None | 9.8 | Binding | Guide to Pharmacology | 525 | 10 | 3 | 6 | 3.6 | CC(=O)NCCNc1nc(nc2c1cc([nH]2)C(=O)N1CCN(CC1)CCCc1ccccc1)c1ccccc1 | 15194002 | ||
| CHEMBL485862 | 2949 | 9 | None | 257 | 4 | Human | 9.8 | pKd | None | 9.8 | Binding | Guide to Pharmacology | 525 | 10 | 3 | 6 | 3.6 | CC(=O)NCCNc1nc(nc2c1cc([nH]2)C(=O)N1CCN(CC1)CCCc1ccccc1)c1ccccc1 | 15194002 | ||
| 44186666 | 185634 | 0 | UNDEFINED | 144 | 5 | Human | 9.8 | pKi | = | 9.8 | Binding | PDSP KiDatabase | 562 | 6 | 2 | 7 | 2.6 | CCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc(C(F)(F)F)cc5)CC4)cc3)[nH]c2c1=O | None | ||
| CHEMBL486478 | 185634 | 0 | UNDEFINED | 144 | 5 | Human | 9.8 | pKi | = | 9.8 | Binding | PDSP KiDatabase | 562 | 6 | 2 | 7 | 2.6 | CCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc(C(F)(F)F)cc5)CC4)cc3)[nH]c2c1=O | None | ||
| 44186580 | 184182 | 0 | UNDEFINED | 30 | 6 | Human | 9.7 | pKi | = | 9.7 | Binding | PDSP KiDatabase | 528 | 6 | 2 | 7 | 2.3 | CCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc(Cl)cc5)CC4)cc3)[nH]c2c1=O | None | ||
| CHEMBL483261 | 184182 | 0 | UNDEFINED | 30 | 6 | Human | 9.7 | pKi | = | 9.7 | Binding | PDSP KiDatabase | 528 | 6 | 2 | 7 | 2.3 | CCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc(Cl)cc5)CC4)cc3)[nH]c2c1=O | None | ||
| 44186668 | 191486 | 0 | UNDEFINED | 245 | 6 | Human | 9.6 | pKi | = | 9.6 | Binding | PDSP KiDatabase | 562 | 6 | 2 | 7 | 2.6 | CCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5cccc(C(F)(F)F)c5)CC4)cc3)[nH]c2c1=O | None | ||
| CHEMBL519390 | 191486 | 0 | UNDEFINED | 245 | 6 | Human | 9.6 | pKi | = | 9.6 | Binding | PDSP KiDatabase | 562 | 6 | 2 | 7 | 2.6 | CCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5cccc(C(F)(F)F)c5)CC4)cc3)[nH]c2c1=O | None | ||
| 44186667 | 185635 | 0 | UNDEFINED | 478 | 6 | Human | 9.5 | pKi | = | 9.5 | Binding | PDSP KiDatabase | 576 | 7 | 2 | 7 | 3.0 | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc(C(F)(F)F)cc5)CC4)cc3)[nH]c2c1=O | None | ||
| CHEMBL486479 | 185635 | 0 | UNDEFINED | 478 | 6 | Human | 9.5 | pKi | = | 9.5 | Binding | PDSP KiDatabase | 576 | 7 | 2 | 7 | 3.0 | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc(C(F)(F)F)cc5)CC4)cc3)[nH]c2c1=O | None | ||
| 44186581 | 3183 | 27 | UNDEFINED | 851 | 6 | Human | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 542 | 7 | 2 | 7 | 2.7 | CCCn1c(=O)[nH]c2c(c1=O)[nH]c(n2)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)Cc1ccc(cc1)Cl | None | ||
| 6561 | 3183 | 27 | UNDEFINED | 851 | 6 | Human | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 542 | 7 | 2 | 7 | 2.7 | CCCn1c(=O)[nH]c2c(c1=O)[nH]c(n2)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)Cc1ccc(cc1)Cl | None | ||
| CHEMBL482436 | 3183 | 27 | UNDEFINED | 851 | 6 | Human | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 542 | 7 | 2 | 7 | 2.7 | CCCn1c(=O)[nH]c2c(c1=O)[nH]c(n2)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)Cc1ccc(cc1)Cl | None | ||
| 450 | 2949 | 9 | UNDEFINED | 257 | 4 | Human | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 525 | 10 | 3 | 6 | 3.6 | CC(=O)NCCNc1nc(nc2c1cc([nH]2)C(=O)N1CCN(CC1)CCCc1ccccc1)c1ccccc1 | None | ||
| 454 | 2949 | 9 | UNDEFINED | 257 | 4 | Human | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 525 | 10 | 3 | 6 | 3.6 | CC(=O)NCCNc1nc(nc2c1cc([nH]2)C(=O)N1CCN(CC1)CCCc1ccccc1)c1ccccc1 | None | ||
| 5311041 | 2949 | 9 | UNDEFINED | 257 | 4 | Human | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 525 | 10 | 3 | 6 | 3.6 | CC(=O)NCCNc1nc(nc2c1cc([nH]2)C(=O)N1CCN(CC1)CCCc1ccccc1)c1ccccc1 | None | ||
| CHEMBL485862 | 2949 | 9 | UNDEFINED | 257 | 4 | Human | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 525 | 10 | 3 | 6 | 3.6 | CC(=O)NCCNc1nc(nc2c1cc([nH]2)C(=O)N1CCN(CC1)CCCc1ccccc1)c1ccccc1 | None | ||
| 44185870 | 184206 | 0 | UNDEFINED | 117 | 5 | Human | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 514 | 5 | 2 | 7 | 2.3 | CCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(c5ccc(Cl)cc5)CC4)cc3)[nH]c2c1=O | None | ||
| CHEMBL483487 | 184206 | 0 | UNDEFINED | 117 | 5 | Human | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 514 | 5 | 2 | 7 | 2.3 | CCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(c5ccc(Cl)cc5)CC4)cc3)[nH]c2c1=O | None | ||
| 44186626 | 184585 | 0 | UNDEFINED | 245 | 6 | Human | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 526 | 7 | 2 | 7 | 2.1 | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5cccc(F)c5)CC4)cc3)[nH]c2c1=O | None | ||
| CHEMBL484900 | 184585 | 0 | UNDEFINED | 245 | 6 | Human | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 526 | 7 | 2 | 7 | 2.1 | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5cccc(F)c5)CC4)cc3)[nH]c2c1=O | None | ||
| 44185872 | 191374 | 0 | UNDEFINED | 416 | 4 | Human | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | 524 | 5 | 2 | 7 | 1.9 | C#CCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(c5ccc(Cl)cc5)CC4)cc3)[nH]c2c1=O | None | ||
| CHEMBL519253 | 191374 | 0 | UNDEFINED | 416 | 4 | Human | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | 524 | 5 | 2 | 7 | 1.9 | C#CCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(c5ccc(Cl)cc5)CC4)cc3)[nH]c2c1=O | None | ||
| 3284 | 3194 | 35 | UNDEFINED | -1 | 7 | Human | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | 528 | 6 | 2 | 7 | 2.7 | CCCn1c(=O)[nH]c2c(c1=O)[nH]c(n2)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)Cl | None | ||
| 44185871 | 3194 | 35 | UNDEFINED | -1 | 7 | Human | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | 528 | 6 | 2 | 7 | 2.7 | CCCn1c(=O)[nH]c2c(c1=O)[nH]c(n2)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)Cl | None | ||
| 5728 | 3194 | 35 | UNDEFINED | -1 | 7 | Human | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | 528 | 6 | 2 | 7 | 2.7 | CCCn1c(=O)[nH]c2c(c1=O)[nH]c(n2)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)Cl | None | ||
| CHEMBL483688 | 3194 | 35 | UNDEFINED | -1 | 7 | Human | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | 528 | 6 | 2 | 7 | 2.7 | CCCn1c(=O)[nH]c2c(c1=O)[nH]c(n2)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)Cl | None | ||
| 44186624 | 192412 | 0 | UNDEFINED | 57 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 526 | 7 | 2 | 7 | 2.1 | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc(F)cc5)CC4)cc3)[nH]c2c1=O | None | ||
| CHEMBL520830 | 192412 | 0 | UNDEFINED | 57 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 526 | 7 | 2 | 7 | 2.1 | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc(F)cc5)CC4)cc3)[nH]c2c1=O | None | ||
| 44186582 | 184089 | 0 | UNDEFINED | 158 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 528 | 6 | 2 | 7 | 2.3 | CCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5cccc(Cl)c5)CC4)cc3)[nH]c2c1=O | None | ||
| CHEMBL482638 | 184089 | 0 | UNDEFINED | 158 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 528 | 6 | 2 | 7 | 2.3 | CCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5cccc(Cl)c5)CC4)cc3)[nH]c2c1=O | None | ||
| 44186625 | 184584 | 0 | UNDEFINED | 208 | 6 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 512 | 6 | 2 | 7 | 1.7 | CCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5cccc(F)c5)CC4)cc3)[nH]c2c1=O | None | ||
| CHEMBL484899 | 184584 | 0 | UNDEFINED | 208 | 6 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 512 | 6 | 2 | 7 | 1.7 | CCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5cccc(F)c5)CC4)cc3)[nH]c2c1=O | None | ||
| 44186669 | 185773 | 0 | UNDEFINED | 354 | 6 | Human | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 576 | 7 | 2 | 7 | 3.0 | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5cccc(C(F)(F)F)c5)CC4)cc3)[nH]c2c1=O | None | ||
| CHEMBL486688 | 185773 | 0 | UNDEFINED | 354 | 6 | Human | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 576 | 7 | 2 | 7 | 3.0 | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5cccc(C(F)(F)F)c5)CC4)cc3)[nH]c2c1=O | None | ||
| 44186622 | 184205 | 0 | UNDEFINED | 208 | 6 | Human | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 542 | 7 | 2 | 7 | 2.7 | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5cccc(Cl)c5)CC4)cc3)[nH]c2c1=O | None | ||
| CHEMBL483469 | 184205 | 0 | UNDEFINED | 208 | 6 | Human | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 542 | 7 | 2 | 7 | 2.7 | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5cccc(Cl)c5)CC4)cc3)[nH]c2c1=O | None | ||
| 44186715 | 191195 | 0 | UNDEFINED | 54 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 522 | 7 | 2 | 7 | 2.3 | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc(C)cc5)CC4)cc3)[nH]c2c1=O | None | ||
| CHEMBL518972 | 191195 | 0 | UNDEFINED | 54 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 522 | 7 | 2 | 7 | 2.3 | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc(C)cc5)CC4)cc3)[nH]c2c1=O | None | ||
| 44186718 | 184149 | 0 | UNDEFINED | 117 | 6 | Human | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 538 | 6 | 2 | 9 | 1.3 | CCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc6c(c5)OCO6)CC4)cc3)[nH]c2c1=O | None | ||
| CHEMBL483065 | 184149 | 0 | UNDEFINED | 117 | 6 | Human | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 538 | 6 | 2 | 9 | 1.3 | CCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc6c(c5)OCO6)CC4)cc3)[nH]c2c1=O | None | ||
| 44186717 | 184121 | 0 | UNDEFINED | 89 | 6 | Human | 9.0 | pKi | = | 9.0 | Binding | PDSP KiDatabase | 538 | 8 | 2 | 8 | 2.0 | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc(OC)cc5)CC4)cc3)[nH]c2c1=O | None | ||
| CHEMBL482855 | 184121 | 0 | UNDEFINED | 89 | 6 | Human | 9.0 | pKi | = | 9.0 | Binding | PDSP KiDatabase | 538 | 8 | 2 | 8 | 2.0 | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc(OC)cc5)CC4)cc3)[nH]c2c1=O | None | ||
| 44186719 | 185892 | 0 | UNDEFINED | 74 | 6 | Human | 9.0 | pKi | = | 9.0 | Binding | PDSP KiDatabase | 552 | 7 | 2 | 9 | 1.7 | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc6c(c5)OCO6)CC4)cc3)[nH]c2c1=O | None | ||
| CHEMBL486893 | 185892 | 0 | UNDEFINED | 74 | 6 | Human | 9.0 | pKi | = | 9.0 | Binding | PDSP KiDatabase | 552 | 7 | 2 | 9 | 1.7 | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc6c(c5)OCO6)CC4)cc3)[nH]c2c1=O | None | ||
| 44186579 | 191760 | 0 | UNDEFINED | 131 | 6 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 494 | 6 | 2 | 7 | 1.6 | CCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccccc5)CC4)cc3)[nH]c2c1=O | None | ||
| CHEMBL519813 | 191760 | 0 | UNDEFINED | 131 | 6 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 494 | 6 | 2 | 7 | 1.6 | CCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccccc5)CC4)cc3)[nH]c2c1=O | None | ||
| 44186716 | 184090 | 0 | UNDEFINED | 194 | 6 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 524 | 7 | 2 | 8 | 1.6 | CCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc(OC)cc5)CC4)cc3)[nH]c2c1=O | None | ||
| CHEMBL482648 | 184090 | 0 | UNDEFINED | 194 | 6 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 524 | 7 | 2 | 8 | 1.6 | CCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc(OC)cc5)CC4)cc3)[nH]c2c1=O | None | ||
| 44583036 | 186931 | 0 | UNDEFINED | 7 | 5 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 400 | 8 | 3 | 7 | 0.6 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NCCO)cc3)cc2n(C)c1=O | None | ||
| CHEMBL490262 | 186931 | 0 | UNDEFINED | 7 | 5 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 400 | 8 | 3 | 7 | 0.6 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NCCO)cc3)cc2n(C)c1=O | None | ||
| CHEMBL521280 | 186931 | 0 | UNDEFINED | 7 | 5 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 400 | 8 | 3 | 7 | 0.6 | CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NCCO)cc3)cc2n(C)c1=O | None | ||
| 44186623 | 192065 | 0 | UNDEFINED | 31 | 6 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 512 | 6 | 2 | 7 | 1.7 | CCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc(F)cc5)CC4)cc3)[nH]c2c1=O | None | ||
| CHEMBL520297 | 192065 | 0 | UNDEFINED | 31 | 6 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 512 | 6 | 2 | 7 | 1.7 | CCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc(F)cc5)CC4)cc3)[nH]c2c1=O | None | ||
| 11605883 | 79923 | 6 | UNDEFINED | 42 | 6 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 508 | 7 | 2 | 7 | 2.0 | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccccc5)CC4)cc3)[nH]c2c1=O | None | ||
| CHEMBL212625 | 79923 | 6 | UNDEFINED | 42 | 6 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 508 | 7 | 2 | 7 | 2.0 | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccccc5)CC4)cc3)[nH]c2c1=O | None | ||
| 44186670 | 192278 | 0 | UNDEFINED | 24 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 508 | 6 | 2 | 7 | 1.9 | CCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc(C)cc5)CC4)cc3)[nH]c2c1=O | None | ||
| CHEMBL520617 | 192278 | 0 | UNDEFINED | 24 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 508 | 6 | 2 | 7 | 1.9 | CCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc(C)cc5)CC4)cc3)[nH]c2c1=O | None | ||
| None | 217107 | 0 | UNDEFINED | 208 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 485 | 9 | 2 | 7 | 3.9 | CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=C2)C3=CC=C(C=C3)OCC(=O)NC4=CC=C(C=C4)C#N | None | ||
| 44185874 | 185636 | 0 | UNDEFINED | 20 | 5 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 524 | 7 | 2 | 8 | 2.0 | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(c5ccc(OC)cc5)CC4)cc3)[nH]c2c1=O | None | ||
| CHEMBL486481 | 185636 | 0 | UNDEFINED | 20 | 5 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 524 | 7 | 2 | 8 | 2.0 | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(c5ccc(OC)cc5)CC4)cc3)[nH]c2c1=O | None | ||
| 982689 | 199220 | 9 | UNDEFINED | -141 | 3 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 414 | 6 | 1 | 5 | 5.3 | COc1ccc(C(=O)c2sc(NC(=O)c3ccccc3)nc2-c2ccccc2)cc1 | None | ||
| CHEMBL590033 | 199220 | 9 | UNDEFINED | -141 | 3 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 414 | 6 | 1 | 5 | 5.3 | COc1ccc(C(=O)c2sc(NC(=O)c3ccccc3)nc2-c2ccccc2)cc1 | None | ||
| 46229302 | 199260 | 0 | UNDEFINED | -14 | 4 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 382 | 6 | 1 | 6 | 4.6 | CCOC(=O)Nc1nc(-c2ccccc2)c(C(=O)c2ccc(OC)cc2)s1 | None | ||
| CHEMBL590301 | 199260 | 0 | UNDEFINED | -14 | 4 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 382 | 6 | 1 | 6 | 4.6 | CCOC(=O)Nc1nc(-c2ccccc2)c(C(=O)c2ccc(OC)cc2)s1 | None | ||
| 5033052 | 199461 | 14 | UNDEFINED | -173 | 6 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 374 | 5 | 1 | 5 | 4.9 | O=C(Nc1nc(-c2ccccc2)c(C(=O)c2ccccc2)s1)c1ccco1 | None | ||
| CHEMBL591710 | 199461 | 14 | UNDEFINED | -173 | 6 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 374 | 5 | 1 | 5 | 4.9 | O=C(Nc1nc(-c2ccccc2)c(C(=O)c2ccccc2)s1)c1ccco1 | None | ||
| 46228971 | 199580 | 0 | UNDEFINED | -208 | 5 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 398 | 5 | 1 | 4 | 5.6 | Cc1ccc(C(=O)c2sc(NC(=O)c3ccccc3)nc2-c2ccccc2)cc1 | None | ||
| CHEMBL592679 | 199580 | 0 | UNDEFINED | -208 | 5 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 398 | 5 | 1 | 4 | 5.6 | Cc1ccc(C(=O)c2sc(NC(=O)c3ccccc3)nc2-c2ccccc2)cc1 | None | ||
| 981611 | 200719 | 17 | UNDEFINED | -104 | 4 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 384 | 5 | 1 | 4 | 5.3 | O=C(Nc1nc(-c2ccccc2)c(C(=O)c2ccccc2)s1)c1ccccc1 | None | ||
| CHEMBL600232 | 200719 | 17 | UNDEFINED | -104 | 4 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 384 | 5 | 1 | 4 | 5.3 | O=C(Nc1nc(-c2ccccc2)c(C(=O)c2ccccc2)s1)c1ccccc1 | None | ||
| 7315332 | 201046 | 5 | UNDEFINED | -2 | 3 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 386 | 5 | 1 | 5 | 5.3 | CCOC(=O)Nc1nc(-c2ccccc2)c(C(=O)c2ccc(Cl)cc2)s1 | None | ||
| CHEMBL602722 | 201046 | 5 | UNDEFINED | -2 | 3 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 386 | 5 | 1 | 5 | 5.3 | CCOC(=O)Nc1nc(-c2ccccc2)c(C(=O)c2ccc(Cl)cc2)s1 | None | ||
| 46228988 | 201079 | 0 | UNDEFINED | -83 | 3 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 408 | 5 | 1 | 5 | 5.5 | O=C(Nc1nc(-c2ccccc2)c(C(=O)c2ccc(Cl)cc2)s1)c1ccco1 | None | ||
| CHEMBL602950 | 201079 | 0 | UNDEFINED | -83 | 3 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 408 | 5 | 1 | 5 | 5.5 | O=C(Nc1nc(-c2ccccc2)c(C(=O)c2ccc(Cl)cc2)s1)c1ccco1 | None | ||
| None | 217545 | 0 | UNDEFINED | 1 | 2 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 432 | 5 | 1 | 4 | 6.3 | CC1=CC=C(C=C1)C(=O)NC2=NC(=C(S2)C(=O)C3=CC=C(C=C3)Cl)C4=CC=CC=C4 | None | ||
| None | 217546 | 0 | UNDEFINED | 1 | 2 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 398 | 5 | 1 | 4 | 5.6 | CC1=CC=C(C=C1)C(=O)NC2=NC(=C(S2)C(=O)C3=CC=CC=C3)C4=CC=CC=C4 | None | ||
| None | 217547 | 0 | UNDEFINED | 1 | 2 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 462 | 6 | 1 | 6 | 4.7 | CS(=O)(=O)C1=CC=C(C=C1)C(=O)C2=C(N=C(S2)NC(=O)C3=CC=CC=C3)C4=CC=CC=C4 | None | ||
| None | 217548 | 0 | UNDEFINED | 1 | 2 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 434 | 6 | 1 | 6 | 5.2 | CS(=O)(=O)C1=CC=C(C=C1)C(=O)C2=C(N=C(S2)NC3=CC=CC=C3)C4=CC=CC=C4 | None | ||
| None | 217549 | 0 | UNDEFINED | 1 | 2 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 370 | 5 | 1 | 4 | 6.1 | CC1=CC=C(C=C1)C(=O)C2=C(N=C(S2)NC3=CC=CC=C3)C4=CC=CC=C4 | None | ||
| None | 217550 | 0 | UNDEFINED | 1 | 2 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 386 | 6 | 1 | 5 | 5.8 | COC1=CC=C(C=C1)C(=O)C2=C(N=C(S2)NC3=CC=CC=C3)C4=CC=CC=C4 | None | ||
| None | 217551 | 0 | UNDEFINED | 1 | 2 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 328 | 4 | 1 | 4 | 4.7 | CNC1=NC(=C(S1)C(=O)C2=CC=C(C=C2)Cl)C3=CC=CC=C3 | None | ||
| None | 217552 | 0 | UNDEFINED | 1 | 2 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 324 | 5 | 1 | 5 | 4.1 | CNC1=NC(=C(S1)C(=O)C2=CC=C(C=C2)OC)C3=CC=CC=C3 | None | ||
| None | 217553 | 0 | UNDEFINED | 1 | 2 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 294 | 4 | 1 | 4 | 4.1 | CNC1=NC(=C(S1)C(=O)C2=CC=CC=C2)C3=CC=CC=C3 | None | ||
| 2519 | 776 | 86 | UNDEFINED | -11 | 12 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | None | ||
| 407 | 776 | 86 | UNDEFINED | -11 | 12 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | None | ||
| 463 | 776 | 86 | UNDEFINED | -11 | 12 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | None | ||
| CHEMBL113 | 776 | 86 | UNDEFINED | -11 | 12 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | None | ||
| DB00201 | 776 | 86 | UNDEFINED | -11 | 12 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | None | ||
| 380 | 1276 | 54 | 125I-ABOPX | -17782 | 13 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 335 | 4 | 4 | 9 | -0.2 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NC1CCCC1 | None | ||
| 657378 | 1276 | 54 | 125I-ABOPX | -17782 | 13 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 335 | 4 | 4 | 9 | -0.2 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NC1CCCC1 | None | ||
| CHEMBL68738 | 1276 | 54 | 125I-ABOPX | -17782 | 13 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 335 | 4 | 4 | 9 | -0.2 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NC1CCCC1 | None | ||
| 11081 | 3195 | 5 | UNDEFINED | -30 | 6 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 378 | 3 | 1 | 7 | 1.4 | Cn1c(=O)n(C)c(=O)c2c1nc1n2CCCN1CCc1c[nH]c2c1cccc2 | None | ||
| 44437220 | 3195 | 5 | UNDEFINED | -30 | 6 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 378 | 3 | 1 | 7 | 1.4 | Cn1c(=O)n(C)c(=O)c2c1nc1n2CCCN1CCc1c[nH]c2c1cccc2 | None | ||
| CHEMBL239232 | 3195 | 5 | UNDEFINED | -30 | 6 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 378 | 3 | 1 | 7 | 1.4 | Cn1c(=O)n(C)c(=O)c2c1nc1n2CCCN1CCc1c[nH]c2c1cccc2 | None | ||
| 44437219 | 90622 | 0 | UNDEFINED | -1 | 2 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 340 | 3 | 0 | 8 | 0.3 | Cn1c(=O)c2c(nc3n2CCCN3CCc2ccccn2)n(C)c1=O | None | ||
| CHEMBL239018 | 90622 | 0 | UNDEFINED | -1 | 2 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 340 | 3 | 0 | 8 | 0.3 | Cn1c(=O)c2c(nc3n2CCCN3CCc2ccccn2)n(C)c1=O | None | ||
| 3162488 | 91115 | 10 | UNDEFINED | -31 | 5 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 339 | 3 | 0 | 7 | 0.9 | Cn1c(=O)c2c(nc3n2CCCN3CCc2ccccc2)n(C)c1=O | None | ||
| CHEMBL239864 | 91115 | 10 | UNDEFINED | -31 | 5 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 339 | 3 | 0 | 7 | 0.9 | Cn1c(=O)c2c(nc3n2CCCN3CCc2ccccc2)n(C)c1=O | None | ||
| 11003653 | 145813 | 0 | UNDEFINED | -2 | 4 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 389 | 4 | 0 | 8 | 1.4 | Cn1c(=O)c2c(nc3n2CCCN3CCOc2ccc(Cl)cc2)n(C)c1=O | None | ||
| CHEMBL391718 | 145813 | 0 | UNDEFINED | -2 | 4 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 389 | 4 | 0 | 8 | 1.4 | Cn1c(=O)c2c(nc3n2CCCN3CCOc2ccc(Cl)cc2)n(C)c1=O | None | ||
| 44437233 | 154909 | 0 | UNDEFINED | -1 | 3 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 368 | 5 | 1 | 8 | 0.4 | Cn1c(=O)c2c(nc3n2CCCN3CCNCc2ccccc2)n(C)c1=O | None | ||
| CHEMBL401028 | 154909 | 0 | UNDEFINED | -1 | 3 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 368 | 5 | 1 | 8 | 0.4 | Cn1c(=O)c2c(nc3n2CCCN3CCNCc2ccccc2)n(C)c1=O | None | ||
| 3668 | 216096 | 0 | 125I-ABOPX | -9120 | 10 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 510 | 5 | 4 | 9 | 0.4 | CNC(=O)C1C(C(C(O1)N2C=NC3=C2N=CN=C3NCC4=CC(=CC=C4)I)O)O | None | ||
| None | 216101 | 0 | 125I-ABOPX | -8511 | 5 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 385 | 6 | 4 | 9 | 0.5 | CC(CC1=CC=CC=C1)NC2=NC=NC3=C2N=CN3C4C(C(C(O4)CO)O)O | None | ||
| None | 216266 | 0 | 125I-ABOPX | -660 | 6 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 499 | 10 | 6 | 11 | -0.2 | CCNC(=O)C1C(C(C(O1)N2C=NC3=C2N=C(N=C3N)NCCC4=CC=C(C=C4)CCC(=O)O)O)O | None | ||
| 235481 | 216268 | 0 | 125I-ABOPX | -1258 | 4 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 301 | 2 | 4 | 9 | -1.3 | C1=NC2=C(N1C3C(C(C(O3)CO)O)O)N=C(N=C2N)Cl | None | ||
| 235481 | 216268 | 0 | UNDEFINED | -1258 | 4 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 301 | 2 | 4 | 9 | -1.3 | C1=NC2=C(N1C3C(C(C(O3)CO)O)O)N=C(N=C2N)Cl | None | ||
| None | 216269 | 0 | 125I-ABOPX | - | 1 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 527 | 6 | 6 | 11 | -0.1 | C1=CC(=C(C=C1CCNC2=NC3=C(C(=N2)N)N=CN3C4C(C(C(O4)CO)O)O)I)N | None | ||
| 44583035 | 172717 | 0 | UNDEFINED | 7 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 593 | 5 | 1 | 10 | 3.4 | Cn1c(=O)c2[nH]c(-c3ccc(OC(C)(C)C(=O)N4CCN(c5nc6cc(Cl)ccc6s5)CC4)cc3)nc2n(C)c1=O | None | ||
| CHEMBL450826 | 172717 | 0 | UNDEFINED | 7 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 593 | 5 | 1 | 10 | 3.4 | Cn1c(=O)c2[nH]c(-c3ccc(OC(C)(C)C(=O)N4CCN(c5nc6cc(Cl)ccc6s5)CC4)cc3)nc2n(C)c1=O | None | ||
| 44185873 | 192463 | 0 | UNDEFINED | 31 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 510 | 6 | 2 | 8 | 1.6 | CCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(c5ccc(OC)cc5)CC4)cc3)[nH]c2c1=O | None | ||
| CHEMBL520899 | 192463 | 0 | UNDEFINED | 31 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 510 | 6 | 2 | 8 | 1.6 | CCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(c5ccc(OC)cc5)CC4)cc3)[nH]c2c1=O | None | ||
| 1328 | 1357 | 35 | 125I-ABOPX | -7 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 284 | 3 | 1 | 5 | 1.6 | CCn1c2nc([nH]c2c(=O)n(c1=O)CC)c1ccccc1 | None | ||
| 445 | 1357 | 35 | 125I-ABOPX | -7 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 284 | 3 | 1 | 5 | 1.6 | CCn1c2nc([nH]c2c(=O)n(c1=O)CC)c1ccccc1 | None | ||
| CHEMBL11348 | 1357 | 35 | 125I-ABOPX | -7 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 284 | 3 | 1 | 5 | 1.6 | CCn1c2nc([nH]c2c(=O)n(c1=O)CC)c1ccccc1 | None | ||
| 404 | 4067 | 33 | 3H-cAMP | -154 | 11 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 428 | 10 | 3 | 8 | 0.8 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)NCCN | None | ||
| 432 | 4067 | 33 | 3H-cAMP | -154 | 11 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 428 | 10 | 3 | 8 | 0.8 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)NCCN | None | ||
| 5697 | 4067 | 33 | 3H-cAMP | -154 | 11 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 428 | 10 | 3 | 8 | 0.8 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)NCCN | None | ||
| CHEMBL273094 | 4067 | 33 | 3H-cAMP | -154 | 11 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 428 | 10 | 3 | 8 | 0.8 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)NCCN | None | ||
| 2690 | 900 | 66 | UNDEFINED | -30 | 9 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 285 | 1 | 1 | 6 | 2.8 | Clc1ccc2c(c1)c1nc(nn1c(n2)N)c1ccco1 | None | ||
| 384 | 900 | 66 | UNDEFINED | -30 | 9 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 285 | 1 | 1 | 6 | 2.8 | Clc1ccc2c(c1)c1nc(nn1c(n2)N)c1ccco1 | None | ||
| CHEMBL16687 | 900 | 66 | UNDEFINED | -30 | 9 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 285 | 1 | 1 | 6 | 2.8 | Clc1ccc2c(c1)c1nc(nn1c(n2)N)c1ccco1 | None | ||
| 377 | 2738 | 53 | UNDEFINED | -1479 | 15 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | None | ||
| 425 | 2738 | 53 | UNDEFINED | -1479 | 15 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | None | ||
| 448222 | 2738 | 53 | UNDEFINED | -1479 | 15 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | None | ||
| CHEMBL464859 | 2738 | 53 | UNDEFINED | -1479 | 15 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | None | ||
| 44185935 | 185509 | 0 | UNDEFINED | 4 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 417 | 5 | 2 | 6 | 1.7 | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCCCC4)cc3)[nH]c2c1=O | None | ||
| CHEMBL486281 | 185509 | 0 | UNDEFINED | 4 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 417 | 5 | 2 | 6 | 1.7 | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCCCC4)cc3)[nH]c2c1=O | None | ||
| 11270783 | 1215 | 35 | UNDEFINED | 67 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 446 | 6 | 1 | 7 | 3.2 | CCCn1c(=O)c2nc([nH]c2n(c1=O)CC)c1cnn(c1)Cc1cccc(c1)C(F)(F)F | None | ||
| 5615 | 1215 | 35 | UNDEFINED | 67 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 446 | 6 | 1 | 7 | 3.2 | CCCn1c(=O)c2nc([nH]c2n(c1=O)CC)c1cnn(c1)Cc1cccc(c1)C(F)(F)F | None | ||
| CHEMBL260933 | 1215 | 35 | UNDEFINED | 67 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 446 | 6 | 1 | 7 | 3.2 | CCCn1c(=O)c2nc([nH]c2n(c1=O)CC)c1cnn(c1)Cc1cccc(c1)C(F)(F)F | None | ||
| DB05936 | 1215 | 35 | UNDEFINED | 67 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 446 | 6 | 1 | 7 | 3.2 | CCCn1c(=O)c2nc([nH]c2n(c1=O)CC)c1cnn(c1)Cc1cccc(c1)C(F)(F)F | None | ||
| None | 217108 | 0 | UNDEFINED | 89 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 372 | 4 | 2 | 7 | -2.6 | CCCN1C(=O)C2=C(NC1=O)N=C(N2)C3=CC=C(C=C3)S(=O)(=O)[O-].[Na+] | None | ||
| 377 | 2738 | 53 | UNDEFINED | -1479 | 15 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | None | ||
| 425 | 2738 | 53 | UNDEFINED | -1479 | 15 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | None | ||
| 448222 | 2738 | 53 | UNDEFINED | -1479 | 15 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | None | ||
| CHEMBL464859 | 2738 | 53 | UNDEFINED | -1479 | 15 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | None | ||
| 44185936 | 185510 | 0 | UNDEFINED | 12 | 6 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 522 | 8 | 3 | 7 | 2.4 | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)NC4CCN(Cc5ccccc5)CC4)cc3)[nH]c2c1=O | None | ||
| CHEMBL486282 | 185510 | 0 | UNDEFINED | 12 | 6 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 522 | 8 | 3 | 7 | 2.4 | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)NC4CCN(Cc5ccccc5)CC4)cc3)[nH]c2c1=O | None | ||
| 11605883 | 79923 | 6 | UNDEFINED | 42 | 6 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 508 | 7 | 2 | 7 | 2.0 | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccccc5)CC4)cc3)[nH]c2c1=O | None | ||
| CHEMBL212625 | 79923 | 6 | UNDEFINED | 42 | 6 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 508 | 7 | 2 | 7 | 2.0 | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccccc5)CC4)cc3)[nH]c2c1=O | None | ||
| 2690 | 900 | 66 | UNDEFINED | -30 | 9 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 285 | 1 | 1 | 6 | 2.8 | Clc1ccc2c(c1)c1nc(nn1c(n2)N)c1ccco1 | None | ||
| 384 | 900 | 66 | UNDEFINED | -30 | 9 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 285 | 1 | 1 | 6 | 2.8 | Clc1ccc2c(c1)c1nc(nn1c(n2)N)c1ccco1 | None | ||
| CHEMBL16687 | 900 | 66 | UNDEFINED | -30 | 9 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 285 | 1 | 1 | 6 | 2.8 | Clc1ccc2c(c1)c1nc(nn1c(n2)N)c1ccco1 | None | ||
| 163889 | 1951 | 17 | 125I-ABOPX | -6 | 8 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 575 | 8 | 3 | 8 | 2.7 | CCCn1c(=O)c2[nH]c(nc2n(c1=O)Cc1ccc(c(c1)I)N)c1ccc(cc1)OCC(=O)O | None | ||
| 446 | 1951 | 17 | 125I-ABOPX | -6 | 8 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 575 | 8 | 3 | 8 | 2.7 | CCCn1c(=O)c2[nH]c(nc2n(c1=O)Cc1ccc(c(c1)I)N)c1ccc(cc1)OCC(=O)O | None | ||
| CHEMBL355370 | 1951 | 17 | 125I-ABOPX | -6 | 8 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 575 | 8 | 3 | 8 | 2.7 | CCCn1c(=O)c2[nH]c(nc2n(c1=O)Cc1ccc(c(c1)I)N)c1ccc(cc1)OCC(=O)O | None | ||
| 176407 | 4117 | 84 | 125I-ABOPX | -34 | 6 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 337 | 5 | 3 | 9 | 1.7 | Oc1ccc(cc1)CCNc1nc(N)n2c(n1)nc(n2)c1ccco1 | None | ||
| 176407 | 4117 | 84 | 3H-MRE 3008F20 | -34 | 6 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 337 | 5 | 3 | 9 | 1.7 | Oc1ccc(cc1)CCNc1nc(N)n2c(n1)nc(n2)c1ccco1 | None | ||
| 405 | 4117 | 84 | 125I-ABOPX | -34 | 6 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 337 | 5 | 3 | 9 | 1.7 | Oc1ccc(cc1)CCNc1nc(N)n2c(n1)nc(n2)c1ccco1 | None | ||
| 405 | 4117 | 84 | 3H-MRE 3008F20 | -34 | 6 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 337 | 5 | 3 | 9 | 1.7 | Oc1ccc(cc1)CCNc1nc(N)n2c(n1)nc(n2)c1ccco1 | None | ||
| CHEMBL113142 | 4117 | 84 | 125I-ABOPX | -34 | 6 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 337 | 5 | 3 | 9 | 1.7 | Oc1ccc(cc1)CCNc1nc(N)n2c(n1)nc(n2)c1ccco1 | None | ||
| CHEMBL113142 | 4117 | 84 | 3H-MRE 3008F20 | -34 | 6 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 337 | 5 | 3 | 9 | 1.7 | Oc1ccc(cc1)CCNc1nc(N)n2c(n1)nc(n2)c1ccco1 | None | ||
| DB08770 | 4117 | 84 | 125I-ABOPX | -34 | 6 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 337 | 5 | 3 | 9 | 1.7 | Oc1ccc(cc1)CCNc1nc(N)n2c(n1)nc(n2)c1ccco1 | None | ||
| DB08770 | 4117 | 84 | 3H-MRE 3008F20 | -34 | 6 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 337 | 5 | 3 | 9 | 1.7 | Oc1ccc(cc1)CCNc1nc(N)n2c(n1)nc(n2)c1ccco1 | None | ||
| 176407 | 4117 | 84 | 125I-ABOPX | -34 | 6 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 337 | 5 | 3 | 9 | 1.7 | Oc1ccc(cc1)CCNc1nc(N)n2c(n1)nc(n2)c1ccco1 | None | ||
| 405 | 4117 | 84 | 125I-ABOPX | -34 | 6 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 337 | 5 | 3 | 9 | 1.7 | Oc1ccc(cc1)CCNc1nc(N)n2c(n1)nc(n2)c1ccco1 | None | ||
| CHEMBL113142 | 4117 | 84 | 125I-ABOPX | -34 | 6 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 337 | 5 | 3 | 9 | 1.7 | Oc1ccc(cc1)CCNc1nc(N)n2c(n1)nc(n2)c1ccco1 | None | ||
| DB08770 | 4117 | 84 | 125I-ABOPX | -34 | 6 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 337 | 5 | 3 | 9 | 1.7 | Oc1ccc(cc1)CCNc1nc(N)n2c(n1)nc(n2)c1ccco1 | None | ||
| 377 | 2738 | 53 | 125I-ABOPX | -1479 | 15 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | None | ||
| 425 | 2738 | 53 | 125I-ABOPX | -1479 | 15 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | None | ||
| 448222 | 2738 | 53 | 125I-ABOPX | -1479 | 15 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | None | ||
| CHEMBL464859 | 2738 | 53 | 125I-ABOPX | -1479 | 15 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | None | ||
| 1241166 | 199261 | 21 | UNDEFINED | 2 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 356 | 5 | 1 | 4 | 5.8 | O=C(c1ccccc1)c1sc(Nc2ccccc2)nc1-c1ccccc1 | None | ||
| CHEMBL590302 | 199261 | 21 | UNDEFINED | 2 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 356 | 5 | 1 | 4 | 5.8 | O=C(c1ccccc1)c1sc(Nc2ccccc2)nc1-c1ccccc1 | None | ||
| 2519 | 776 | 86 | [ 3 H]8-(4-(4-(4-chlorophenyl)piperazine-1-sulfonyl)phenyl)-1-propylxanthine ([3H]PSB-603) | -11 | 12 | Human | 4.5 | pKi | = | 4.5 | Binding | PDSP KiDatabase | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | None | ||
| 407 | 776 | 86 | [ 3 H]8-(4-(4-(4-chlorophenyl)piperazine-1-sulfonyl)phenyl)-1-propylxanthine ([3H]PSB-603) | -11 | 12 | Human | 4.5 | pKi | = | 4.5 | Binding | PDSP KiDatabase | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | None | ||
| 463 | 776 | 86 | [ 3 H]8-(4-(4-(4-chlorophenyl)piperazine-1-sulfonyl)phenyl)-1-propylxanthine ([3H]PSB-603) | -11 | 12 | Human | 4.5 | pKi | = | 4.5 | Binding | PDSP KiDatabase | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | None | ||
| CHEMBL113 | 776 | 86 | [ 3 H]8-(4-(4-(4-chlorophenyl)piperazine-1-sulfonyl)phenyl)-1-propylxanthine ([3H]PSB-603) | -11 | 12 | Human | 4.5 | pKi | = | 4.5 | Binding | PDSP KiDatabase | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | None | ||
| DB00201 | 776 | 86 | [ 3 H]8-(4-(4-(4-chlorophenyl)piperazine-1-sulfonyl)phenyl)-1-propylxanthine ([3H]PSB-603) | -11 | 12 | Human | 4.5 | pKi | = | 4.5 | Binding | PDSP KiDatabase | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | None | ||
| 2690 | 900 | 66 | UNDEFINED | -30 | 9 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 285 | 1 | 1 | 6 | 2.8 | Clc1ccc2c(c1)c1nc(nn1c(n2)N)c1ccco1 | None | ||
| 384 | 900 | 66 | UNDEFINED | -30 | 9 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 285 | 1 | 1 | 6 | 2.8 | Clc1ccc2c(c1)c1nc(nn1c(n2)N)c1ccco1 | None | ||
| CHEMBL16687 | 900 | 66 | UNDEFINED | -30 | 9 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 285 | 1 | 1 | 6 | 2.8 | Clc1ccc2c(c1)c1nc(nn1c(n2)N)c1ccco1 | None | ||
| 7315331 | 201106 | 1 | UNDEFINED | -5 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 352 | 5 | 1 | 5 | 4.6 | CCOC(=O)Nc1nc(-c2ccccc2)c(C(=O)c2ccccc2)s1 | None | ||
| CHEMBL603129 | 201106 | 1 | UNDEFINED | -5 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 352 | 5 | 1 | 5 | 4.6 | CCOC(=O)Nc1nc(-c2ccccc2)c(C(=O)c2ccccc2)s1 | None | ||
| None | 217544 | 0 | UNDEFINED | -3981 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 308 | 3 | 3 | 4 | 3.3 | C1CC(CCC1NC2=NC(=NC3=C2C=CN3)C4=CC=CC=C4)O | None | ||
| 69550 | 204079 | 86 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 238 | 2 | 1 | 7 | -1.5 | Cn1c(=O)c2c(ncn2CC(=O)O)n(C)c1=O | None | ||
| CHEMBL70246 | 204079 | 86 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 238 | 2 | 1 | 7 | -1.5 | Cn1c(=O)c2c(ncn2CC(=O)O)n(C)c1=O | None | ||
| 1892 | 204022 | 78 | None | 34 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 224 | 2 | 1 | 7 | -1.6 | Cn1c(=O)c2c(ncn2CCO)n(C)c1=O | None | ||
| CHEMBL699 | 204022 | 78 | None | 34 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 224 | 2 | 1 | 7 | -1.6 | Cn1c(=O)c2c(ncn2CCO)n(C)c1=O | None | ||
| 2519 | 776 | 86 | None | -11 | 12 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | None | ||
| 407 | 776 | 86 | None | -11 | 12 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | None | ||
| 463 | 776 | 86 | None | -11 | 12 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | None | ||
| CHEMBL113 | 776 | 86 | None | -11 | 12 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | None | ||
| DB00201 | 776 | 86 | None | -11 | 12 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | None | ||
| 2153 | 3771 | 115 | None | -1 | 14 | Rat | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 180 | 0 | 1 | 5 | -1.0 | Cn1c(=O)n(C)c2c(c1=O)[nH]cn2 | None | ||
| 2620 | 3771 | 115 | None | -1 | 14 | Rat | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 180 | 0 | 1 | 5 | -1.0 | Cn1c(=O)n(C)c2c(c1=O)[nH]cn2 | None | ||
| 413 | 3771 | 115 | None | -1 | 14 | Rat | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 180 | 0 | 1 | 5 | -1.0 | Cn1c(=O)n(C)c2c(c1=O)[nH]cn2 | None | ||
| CHEMBL190 | 3771 | 115 | None | -1 | 14 | Rat | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 180 | 0 | 1 | 5 | -1.0 | Cn1c(=O)n(C)c2c(c1=O)[nH]cn2 | None | ||
| DB00277 | 3771 | 115 | None | -1 | 14 | Rat | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 180 | 0 | 1 | 5 | -1.0 | Cn1c(=O)n(C)c2c(c1=O)[nH]cn2 | None | ||
| 2519 | 776 | 86 | None | -1 | 12 | Mouse | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | None | ||
| 407 | 776 | 86 | None | -1 | 12 | Mouse | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | None | ||
| 463 | 776 | 86 | None | -1 | 12 | Mouse | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | None | ||
| CHEMBL113 | 776 | 86 | None | -1 | 12 | Mouse | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | None | ||
| DB00201 | 776 | 86 | None | -1 | 12 | Mouse | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | None | ||
| 1329 | 1460 | 86 | 3H-MRE 3008F20 | -1288 | 14 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 304 | 5 | 1 | 5 | 2.4 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C1CCCC1 | None | ||
| 386 | 1460 | 86 | 3H-MRE 3008F20 | -1288 | 14 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 304 | 5 | 1 | 5 | 2.4 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C1CCCC1 | None | ||
| CHEMBL183 | 1460 | 86 | 3H-MRE 3008F20 | -1288 | 14 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 304 | 5 | 1 | 5 | 2.4 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C1CCCC1 | None | ||
| DB12946 | 1460 | 86 | 3H-MRE 3008F20 | -1288 | 14 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 304 | 5 | 1 | 5 | 2.4 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C1CCCC1 | None | ||
| 163889 | 1951 | 17 | 125I-ABOPX | -6 | 8 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 575 | 8 | 3 | 8 | 2.7 | CCCn1c(=O)c2[nH]c(nc2n(c1=O)Cc1ccc(c(c1)I)N)c1ccc(cc1)OCC(=O)O | None | ||
| 446 | 1951 | 17 | 125I-ABOPX | -6 | 8 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 575 | 8 | 3 | 8 | 2.7 | CCCn1c(=O)c2[nH]c(nc2n(c1=O)Cc1ccc(c(c1)I)N)c1ccc(cc1)OCC(=O)O | None | ||
| CHEMBL355370 | 1951 | 17 | 125I-ABOPX | -6 | 8 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 575 | 8 | 3 | 8 | 2.7 | CCCn1c(=O)c2[nH]c(nc2n(c1=O)Cc1ccc(c(c1)I)N)c1ccc(cc1)OCC(=O)O | None | ||
| 2690 | 900 | 66 | 3H-cAMP | -30 | 9 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 285 | 1 | 1 | 6 | 2.8 | Clc1ccc2c(c1)c1nc(nn1c(n2)N)c1ccco1 | None | ||
| 384 | 900 | 66 | 3H-cAMP | -30 | 9 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 285 | 1 | 1 | 6 | 2.8 | Clc1ccc2c(c1)c1nc(nn1c(n2)N)c1ccco1 | None | ||
| CHEMBL16687 | 900 | 66 | 3H-cAMP | -30 | 9 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 285 | 1 | 1 | 6 | 2.8 | Clc1ccc2c(c1)c1nc(nn1c(n2)N)c1ccco1 | None | ||
| 2153 | 3771 | 115 | None | 1 | 14 | Mouse | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 180 | 0 | 1 | 5 | -1.0 | Cn1c(=O)n(C)c2c(c1=O)[nH]cn2 | None | ||
| 2620 | 3771 | 115 | None | 1 | 14 | Mouse | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 180 | 0 | 1 | 5 | -1.0 | Cn1c(=O)n(C)c2c(c1=O)[nH]cn2 | None | ||
| 413 | 3771 | 115 | None | 1 | 14 | Mouse | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 180 | 0 | 1 | 5 | -1.0 | Cn1c(=O)n(C)c2c(c1=O)[nH]cn2 | None | ||
| CHEMBL190 | 3771 | 115 | None | 1 | 14 | Mouse | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 180 | 0 | 1 | 5 | -1.0 | Cn1c(=O)n(C)c2c(c1=O)[nH]cn2 | None | ||
| DB00277 | 3771 | 115 | None | 1 | 14 | Mouse | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 180 | 0 | 1 | 5 | -1.0 | Cn1c(=O)n(C)c2c(c1=O)[nH]cn2 | None | ||
| 2099 | 3024 | 81 | None | 19 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 278 | 5 | 0 | 7 | 0.2 | CC(=O)CCCCn1c(=O)c2n(C)cnc2n(c1=O)C | None | ||
| 4740 | 3024 | 81 | None | 19 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 278 | 5 | 0 | 7 | 0.2 | CC(=O)CCCCn1c(=O)c2n(C)cnc2n(c1=O)C | None | ||
| 7095 | 3024 | 81 | None | 19 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 278 | 5 | 0 | 7 | 0.2 | CC(=O)CCCCn1c(=O)c2n(C)cnc2n(c1=O)C | None | ||
| CHEMBL628 | 3024 | 81 | None | 19 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 278 | 5 | 0 | 7 | 0.2 | CC(=O)CCCCn1c(=O)c2n(C)cnc2n(c1=O)C | None | ||
| DB00806 | 3024 | 81 | None | 19 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 278 | 5 | 0 | 7 | 0.2 | CC(=O)CCCCn1c(=O)c2n(C)cnc2n(c1=O)C | None | ||
| 1676 | 98956 | 61 | None | -3 | 10 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 194 | 2 | 2 | 4 | -0.2 | CCCn1c(=O)[nH]c(=O)c2[nH]cnc21 | None | ||
| CHEMBL279898 | 98956 | 61 | None | -3 | 10 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 194 | 2 | 2 | 4 | -0.2 | CCCn1c(=O)[nH]c(=O)c2[nH]cnc21 | None | ||
| 44185934 | 186686 | 0 | UNDEFINED | 14 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 403 | 4 | 2 | 6 | 1.3 | CCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCCCC4)cc3)[nH]c2c1=O | None | ||
| CHEMBL488542 | 186686 | 0 | UNDEFINED | 14 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 403 | 4 | 2 | 6 | 1.3 | CCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCCCC4)cc3)[nH]c2c1=O | None | ||
| None | 217106 | 0 | UNDEFINED | -1 | 11 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 116 | 4 | 0 | 2 | 1.4 | CCCCN(C)N=O | None | ||
| 2153 | 3771 | 115 | None | -21 | 14 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 180 | 0 | 1 | 5 | -1.0 | Cn1c(=O)n(C)c2c(c1=O)[nH]cn2 | None | ||
| 2620 | 3771 | 115 | None | -21 | 14 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 180 | 0 | 1 | 5 | -1.0 | Cn1c(=O)n(C)c2c(c1=O)[nH]cn2 | None | ||
| 413 | 3771 | 115 | None | -21 | 14 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 180 | 0 | 1 | 5 | -1.0 | Cn1c(=O)n(C)c2c(c1=O)[nH]cn2 | None | ||
| CHEMBL190 | 3771 | 115 | None | -21 | 14 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 180 | 0 | 1 | 5 | -1.0 | Cn1c(=O)n(C)c2c(c1=O)[nH]cn2 | None | ||
| DB00277 | 3771 | 115 | None | -21 | 14 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 180 | 0 | 1 | 5 | -1.0 | Cn1c(=O)n(C)c2c(c1=O)[nH]cn2 | None | ||
| 4882 | 2086 | 82 | None | -104 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 384 | 6 | 0 | 8 | 2.1 | COc1cc(/C=C/c2nc3c(n2C)c(=O)n(c(=O)n3CC)CC)ccc1OC | None | ||
| 5311037 | 2086 | 82 | None | -104 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 384 | 6 | 0 | 8 | 2.1 | COc1cc(/C=C/c2nc3c(n2C)c(=O)n(c(=O)n3CC)CC)ccc1OC | None | ||
| 5608 | 2086 | 82 | None | -104 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 384 | 6 | 0 | 8 | 2.1 | COc1cc(/C=C/c2nc3c(n2C)c(=O)n(c(=O)n3CC)CC)ccc1OC | None | ||
| CHEMBL431770 | 2086 | 82 | None | -104 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 384 | 6 | 0 | 8 | 2.1 | COc1cc(/C=C/c2nc3c(n2C)c(=O)n(c(=O)n3CC)CC)ccc1OC | None | ||
| DB11757 | 2086 | 82 | None | -104 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 384 | 6 | 0 | 8 | 2.1 | COc1cc(/C=C/c2nc3c(n2C)c(=O)n(c(=O)n3CC)CC)ccc1OC | None | ||
| 169317 | 1192 | 38 | 125I-ABOPX | -44 | 9 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 236 | 4 | 1 | 5 | 0.7 | CCCn1c(=O)n(CCC)c2c(c1=O)[nH]cn2 | None | ||
| 427 | 1192 | 38 | 125I-ABOPX | -44 | 9 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 236 | 4 | 1 | 5 | 0.7 | CCCn1c(=O)n(CCC)c2c(c1=O)[nH]cn2 | None | ||
| CHEMBL157655 | 1192 | 38 | 125I-ABOPX | -44 | 9 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 236 | 4 | 1 | 5 | 0.7 | CCCn1c(=O)n(CCC)c2c(c1=O)[nH]cn2 | None | ||
| 176407 | 4117 | 84 | 3H-cAMP | -34 | 6 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 337 | 5 | 3 | 9 | 1.7 | Oc1ccc(cc1)CCNc1nc(N)n2c(n1)nc(n2)c1ccco1 | None | ||
| 405 | 4117 | 84 | 3H-cAMP | -34 | 6 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 337 | 5 | 3 | 9 | 1.7 | Oc1ccc(cc1)CCNc1nc(N)n2c(n1)nc(n2)c1ccco1 | None | ||
| CHEMBL113142 | 4117 | 84 | 3H-cAMP | -34 | 6 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 337 | 5 | 3 | 9 | 1.7 | Oc1ccc(cc1)CCNc1nc(N)n2c(n1)nc(n2)c1ccco1 | None | ||
| DB08770 | 4117 | 84 | 3H-cAMP | -34 | 6 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 337 | 5 | 3 | 9 | 1.7 | Oc1ccc(cc1)CCNc1nc(N)n2c(n1)nc(n2)c1ccco1 | None | ||
| 176408 | 3531 | 84 | 3H-MRE 3008F20 | -407 | 7 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 345 | 4 | 1 | 8 | 2.6 | Nc1nc2n(CCc3ccccc3)ncc2c2n1nc(n2)c1ccco1 | None | ||
| 176408 | 3531 | 84 | 3H-cAMP | -407 | 7 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 345 | 4 | 1 | 8 | 2.6 | Nc1nc2n(CCc3ccccc3)ncc2c2n1nc(n2)c1ccco1 | None | ||
| 403 | 3531 | 84 | 3H-MRE 3008F20 | -407 | 7 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 345 | 4 | 1 | 8 | 2.6 | Nc1nc2n(CCc3ccccc3)ncc2c2n1nc(n2)c1ccco1 | None | ||
| 403 | 3531 | 84 | 3H-cAMP | -407 | 7 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 345 | 4 | 1 | 8 | 2.6 | Nc1nc2n(CCc3ccccc3)ncc2c2n1nc(n2)c1ccco1 | None | ||
| 431 | 3531 | 84 | 3H-MRE 3008F20 | -407 | 7 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 345 | 4 | 1 | 8 | 2.6 | Nc1nc2n(CCc3ccccc3)ncc2c2n1nc(n2)c1ccco1 | None | ||
| 431 | 3531 | 84 | 3H-cAMP | -407 | 7 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 345 | 4 | 1 | 8 | 2.6 | Nc1nc2n(CCc3ccccc3)ncc2c2n1nc(n2)c1ccco1 | None | ||
| CHEMBL17127 | 3531 | 84 | 3H-MRE 3008F20 | -407 | 7 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 345 | 4 | 1 | 8 | 2.6 | Nc1nc2n(CCc3ccccc3)ncc2c2n1nc(n2)c1ccco1 | None | ||
| CHEMBL17127 | 3531 | 84 | 3H-cAMP | -407 | 7 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 345 | 4 | 1 | 8 | 2.6 | Nc1nc2n(CCc3ccccc3)ncc2c2n1nc(n2)c1ccco1 | None | ||
| 1329 | 1460 | 86 | 3H-PSB-298 | -1288 | 14 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 304 | 5 | 1 | 5 | 2.4 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C1CCCC1 | None | ||
| 1329 | 1460 | 86 | 3H-ZM241385 | -1288 | 14 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 304 | 5 | 1 | 5 | 2.4 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C1CCCC1 | None | ||
| 386 | 1460 | 86 | 3H-PSB-298 | -1288 | 14 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 304 | 5 | 1 | 5 | 2.4 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C1CCCC1 | None | ||
| 386 | 1460 | 86 | 3H-ZM241385 | -1288 | 14 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 304 | 5 | 1 | 5 | 2.4 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C1CCCC1 | None | ||
| CHEMBL183 | 1460 | 86 | 3H-PSB-298 | -1288 | 14 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 304 | 5 | 1 | 5 | 2.4 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C1CCCC1 | None | ||
| CHEMBL183 | 1460 | 86 | 3H-ZM241385 | -1288 | 14 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 304 | 5 | 1 | 5 | 2.4 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C1CCCC1 | None | ||
| DB12946 | 1460 | 86 | 3H-PSB-298 | -1288 | 14 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 304 | 5 | 1 | 5 | 2.4 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C1CCCC1 | None | ||
| DB12946 | 1460 | 86 | 3H-ZM241385 | -1288 | 14 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 304 | 5 | 1 | 5 | 2.4 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C1CCCC1 | None | ||
| None | 216097 | 0 | 125I-ABOPX | -2 | 5 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 382 | 7 | 2 | 6 | 2.5 | CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=CC=C(C=C3)C=CC(=O)O | None | ||
| None | 217108 | 0 | UNDEFINED | 89 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 372 | 4 | 2 | 7 | -2.6 | CCCN1C(=O)C2=C(NC1=O)N=C(N2)C3=CC=C(C=C3)S(=O)(=O)[O-].[Na+] | None | ||
| 169317 | 1192 | 38 | 125I-ABOPX | -44 | 9 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 236 | 4 | 1 | 5 | 0.7 | CCCn1c(=O)n(CCC)c2c(c1=O)[nH]cn2 | None | ||
| 427 | 1192 | 38 | 125I-ABOPX | -44 | 9 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 236 | 4 | 1 | 5 | 0.7 | CCCn1c(=O)n(CCC)c2c(c1=O)[nH]cn2 | None | ||
| CHEMBL157655 | 1192 | 38 | 125I-ABOPX | -44 | 9 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 236 | 4 | 1 | 5 | 0.7 | CCCn1c(=O)n(CCC)c2c(c1=O)[nH]cn2 | None | ||
| 377 | 2738 | 53 | UNDEFINED | -1479 | 15 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | None | ||
| 425 | 2738 | 53 | UNDEFINED | -1479 | 15 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | None | ||
| 448222 | 2738 | 53 | UNDEFINED | -1479 | 15 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | None | ||
| CHEMBL464859 | 2738 | 53 | UNDEFINED | -1479 | 15 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | None | ||
| 10927361 | 90839 | 0 | UNDEFINED | 1 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 395 | 7 | 0 | 7 | 2.6 | CCCn1c(=O)c2c(nc3n2CCCN3CCc2ccccc2)n(CCC)c1=O | None | ||
| CHEMBL239233 | 90839 | 0 | UNDEFINED | 1 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 395 | 7 | 0 | 7 | 2.6 | CCCn1c(=O)c2c(nc3n2CCCN3CCc2ccccc2)n(CCC)c1=O | None | ||
| 681 | 1453 | 72 | None | -15 | 39 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | None | ||
| 940 | 1453 | 72 | None | -15 | 39 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | None | ||
| 947 | 1453 | 72 | None | -15 | 39 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | None | ||
| CHEMBL59 | 1453 | 72 | None | -15 | 39 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | None | ||
| DB00988 | 1453 | 72 | None | -15 | 39 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 153 | 2 | 3 | 3 | 0.6 | NCCc1ccc(c(c1)O)O | None | ||
| 1676 | 98956 | 61 | 125I-ABOPX | -3 | 10 | Human | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 194 | 2 | 2 | 4 | -0.2 | CCCn1c(=O)[nH]c(=O)c2[nH]cnc21 | None | ||
| CHEMBL279898 | 98956 | 61 | 125I-ABOPX | -3 | 10 | Human | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 194 | 2 | 2 | 4 | -0.2 | CCCn1c(=O)[nH]c(=O)c2[nH]cnc21 | None | ||
| 1676 | 98956 | 61 | 125I-ABOPX | -3 | 10 | Human | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 194 | 2 | 2 | 4 | -0.2 | CCCn1c(=O)[nH]c(=O)c2[nH]cnc21 | None | ||
| 1676 | 98956 | 61 | UNDEFINED | -3 | 10 | Human | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 194 | 2 | 2 | 4 | -0.2 | CCCn1c(=O)[nH]c(=O)c2[nH]cnc21 | None | ||
| CHEMBL279898 | 98956 | 61 | 125I-ABOPX | -3 | 10 | Human | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 194 | 2 | 2 | 4 | -0.2 | CCCn1c(=O)[nH]c(=O)c2[nH]cnc21 | None | ||
| CHEMBL279898 | 98956 | 61 | UNDEFINED | -3 | 10 | Human | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 194 | 2 | 2 | 4 | -0.2 | CCCn1c(=O)[nH]c(=O)c2[nH]cnc21 | None | ||
| 404 | 4067 | 33 | 125I-ABOPX | -154 | 11 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 428 | 10 | 3 | 8 | 0.8 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)NCCN | None | ||
| 432 | 4067 | 33 | 125I-ABOPX | -154 | 11 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 428 | 10 | 3 | 8 | 0.8 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)NCCN | None | ||
| 5697 | 4067 | 33 | 125I-ABOPX | -154 | 11 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 428 | 10 | 3 | 8 | 0.8 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)NCCN | None | ||
| CHEMBL273094 | 4067 | 33 | 125I-ABOPX | -154 | 11 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 428 | 10 | 3 | 8 | 0.8 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)NCCN | None | ||
| 1153 | 1615 | 58 | None | -5 | 10 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | None | ||
| 12668023 | 1615 | 58 | None | -5 | 10 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | None | ||
| 30026874 | 1615 | 58 | None | -5 | 10 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | None | ||
| 30026875 | 1615 | 58 | None | -5 | 10 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | None | ||
| 3341 | 1615 | 58 | None | -5 | 10 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | None | ||
| 6603851 | 1615 | 58 | None | -5 | 10 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | None | ||
| 933 | 1615 | 58 | None | -5 | 10 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | None | ||
| 939 | 1615 | 58 | None | -5 | 10 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | None | ||
| 985 | 1615 | 58 | None | -5 | 10 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | None | ||
| CHEMBL1160786 | 1615 | 58 | None | -5 | 10 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | None | ||
| CHEMBL1161520 | 1615 | 58 | None | -5 | 10 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | None | ||
| CHEMBL588 | 1615 | 58 | None | -5 | 10 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | None | ||
| DB00800 | 1615 | 58 | None | -5 | 10 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 305 | 1 | 4 | 4 | 2.7 | Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O | None | ||
| 44185932 | 191595 | 0 | UNDEFINED | 11 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 508 | 7 | 2 | 7 | 1.6 | CCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(CCc5ccccc5)CC4)cc3)[nH]c2c1=O | None | ||
| CHEMBL519556 | 191595 | 0 | UNDEFINED | 11 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 508 | 7 | 2 | 7 | 1.6 | CCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(CCc5ccccc5)CC4)cc3)[nH]c2c1=O | None | ||
| 44185933 | 186685 | 0 | UNDEFINED | 35 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 522 | 8 | 2 | 7 | 2.0 | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(CCc5ccccc5)CC4)cc3)[nH]c2c1=O | None | ||
| CHEMBL488541 | 186685 | 0 | UNDEFINED | 35 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 522 | 8 | 2 | 7 | 2.0 | CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(CCc5ccccc5)CC4)cc3)[nH]c2c1=O | None | ||
| 44437214 | 169230 | 0 | UNDEFINED | -31 | 6 | Human | 5.1 | pKi | = | 5.1 | Binding | PDSP KiDatabase | 355 | 3 | 1 | 8 | 0.6 | Cn1c(=O)c2c(nc3n2CCCN3CCc2ccc(O)cc2)n(C)c1=O | None | ||
| CHEMBL441145 | 169230 | 0 | UNDEFINED | -31 | 6 | Human | 5.1 | pKi | = | 5.1 | Binding | PDSP KiDatabase | 355 | 3 | 1 | 8 | 0.6 | Cn1c(=O)c2c(nc3n2CCCN3CCc2ccc(O)cc2)n(C)c1=O | None | ||
| 1329 | 1460 | 86 | [3H]DPCPX | -1288 | 14 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 304 | 5 | 1 | 5 | 2.4 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C1CCCC1 | None | ||
| 386 | 1460 | 86 | [3H]DPCPX | -1288 | 14 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 304 | 5 | 1 | 5 | 2.4 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C1CCCC1 | None | ||
| CHEMBL183 | 1460 | 86 | [3H]DPCPX | -1288 | 14 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 304 | 5 | 1 | 5 | 2.4 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C1CCCC1 | None | ||
| DB12946 | 1460 | 86 | [3H]DPCPX | -1288 | 14 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 304 | 5 | 1 | 5 | 2.4 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C1CCCC1 | None | ||
| 2153 | 3771 | 115 | 125I-ABOPX | -21 | 14 | Human | 5.1 | pKi | = | 5.1 | Binding | PDSP KiDatabase | 180 | 0 | 1 | 5 | -1.0 | Cn1c(=O)n(C)c2c(c1=O)[nH]cn2 | None | ||
| 2153 | 3771 | 115 | UNDEFINED | -21 | 14 | Human | 5.1 | pKi | = | 5.1 | Binding | PDSP KiDatabase | 180 | 0 | 1 | 5 | -1.0 | Cn1c(=O)n(C)c2c(c1=O)[nH]cn2 | None | ||
| 2620 | 3771 | 115 | 125I-ABOPX | -21 | 14 | Human | 5.1 | pKi | = | 5.1 | Binding | PDSP KiDatabase | 180 | 0 | 1 | 5 | -1.0 | Cn1c(=O)n(C)c2c(c1=O)[nH]cn2 | None | ||
| 2620 | 3771 | 115 | UNDEFINED | -21 | 14 | Human | 5.1 | pKi | = | 5.1 | Binding | PDSP KiDatabase | 180 | 0 | 1 | 5 | -1.0 | Cn1c(=O)n(C)c2c(c1=O)[nH]cn2 | None | ||
| 413 | 3771 | 115 | 125I-ABOPX | -21 | 14 | Human | 5.1 | pKi | = | 5.1 | Binding | PDSP KiDatabase | 180 | 0 | 1 | 5 | -1.0 | Cn1c(=O)n(C)c2c(c1=O)[nH]cn2 | None | ||
| 413 | 3771 | 115 | UNDEFINED | -21 | 14 | Human | 5.1 | pKi | = | 5.1 | Binding | PDSP KiDatabase | 180 | 0 | 1 | 5 | -1.0 | Cn1c(=O)n(C)c2c(c1=O)[nH]cn2 | None | ||
| CHEMBL190 | 3771 | 115 | 125I-ABOPX | -21 | 14 | Human | 5.1 | pKi | = | 5.1 | Binding | PDSP KiDatabase | 180 | 0 | 1 | 5 | -1.0 | Cn1c(=O)n(C)c2c(c1=O)[nH]cn2 | None | ||
| CHEMBL190 | 3771 | 115 | UNDEFINED | -21 | 14 | Human | 5.1 | pKi | = | 5.1 | Binding | PDSP KiDatabase | 180 | 0 | 1 | 5 | -1.0 | Cn1c(=O)n(C)c2c(c1=O)[nH]cn2 | None | ||
| DB00277 | 3771 | 115 | 125I-ABOPX | -21 | 14 | Human | 5.1 | pKi | = | 5.1 | Binding | PDSP KiDatabase | 180 | 0 | 1 | 5 | -1.0 | Cn1c(=O)n(C)c2c(c1=O)[nH]cn2 | None | ||
| DB00277 | 3771 | 115 | UNDEFINED | -21 | 14 | Human | 5.1 | pKi | = | 5.1 | Binding | PDSP KiDatabase | 180 | 0 | 1 | 5 | -1.0 | Cn1c(=O)n(C)c2c(c1=O)[nH]cn2 | None | ||
| 2690 | 900 | 66 | UNDEFINED | -30 | 9 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 285 | 1 | 1 | 6 | 2.8 | Clc1ccc2c(c1)c1nc(nn1c(n2)N)c1ccco1 | None | ||
| 384 | 900 | 66 | UNDEFINED | -30 | 9 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 285 | 1 | 1 | 6 | 2.8 | Clc1ccc2c(c1)c1nc(nn1c(n2)N)c1ccco1 | None | ||
| CHEMBL16687 | 900 | 66 | UNDEFINED | -30 | 9 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 285 | 1 | 1 | 6 | 2.8 | Clc1ccc2c(c1)c1nc(nn1c(n2)N)c1ccco1 | None | ||
| 216466 | 3816 | 32 | UNDEFINED | -123 | 6 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 416 | 8 | 2 | 6 | 3.2 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C12CCC(CC1)(CC2)CCC(=O)O | None | ||
| 5605 | 3816 | 32 | UNDEFINED | -123 | 6 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 416 | 8 | 2 | 6 | 3.2 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C12CCC(CC1)(CC2)CCC(=O)O | None | ||
| CHEMBL386974 | 3816 | 32 | UNDEFINED | -123 | 6 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 416 | 8 | 2 | 6 | 3.2 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C12CCC(CC1)(CC2)CCC(=O)O | None | ||
| CHEMBL414157 | 3816 | 32 | UNDEFINED | -123 | 6 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 416 | 8 | 2 | 6 | 3.2 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C12CCC(CC1)(CC2)CCC(=O)O | None | ||
| DB12569 | 3816 | 32 | UNDEFINED | -123 | 6 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 416 | 8 | 2 | 6 | 3.2 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C12CCC(CC1)(CC2)CCC(=O)O | None | ||
| 2153 | 3771 | 115 | UNDEFINED | -21 | 14 | Human | 5.0 | pKi | = | 5.0 | Binding | PDSP KiDatabase | 180 | 0 | 1 | 5 | -1.0 | Cn1c(=O)n(C)c2c(c1=O)[nH]cn2 | None | ||
| 2620 | 3771 | 115 | UNDEFINED | -21 | 14 | Human | 5.0 | pKi | = | 5.0 | Binding | PDSP KiDatabase | 180 | 0 | 1 | 5 | -1.0 | Cn1c(=O)n(C)c2c(c1=O)[nH]cn2 | None | ||
| 413 | 3771 | 115 | UNDEFINED | -21 | 14 | Human | 5.0 | pKi | = | 5.0 | Binding | PDSP KiDatabase | 180 | 0 | 1 | 5 | -1.0 | Cn1c(=O)n(C)c2c(c1=O)[nH]cn2 | None | ||
| CHEMBL190 | 3771 | 115 | UNDEFINED | -21 | 14 | Human | 5.0 | pKi | = | 5.0 | Binding | PDSP KiDatabase | 180 | 0 | 1 | 5 | -1.0 | Cn1c(=O)n(C)c2c(c1=O)[nH]cn2 | None | ||
| DB00277 | 3771 | 115 | UNDEFINED | -21 | 14 | Human | 5.0 | pKi | = | 5.0 | Binding | PDSP KiDatabase | 180 | 0 | 1 | 5 | -1.0 | Cn1c(=O)n(C)c2c(c1=O)[nH]cn2 | None | ||
| 2153 | 3771 | 115 | 125I-ABOPX | -21 | 14 | Human | 5.0 | pKi | = | 5.0 | Binding | PDSP KiDatabase | 180 | 0 | 1 | 5 | -1.0 | Cn1c(=O)n(C)c2c(c1=O)[nH]cn2 | None | ||
| 2620 | 3771 | 115 | 125I-ABOPX | -21 | 14 | Human | 5.0 | pKi | = | 5.0 | Binding | PDSP KiDatabase | 180 | 0 | 1 | 5 | -1.0 | Cn1c(=O)n(C)c2c(c1=O)[nH]cn2 | None | ||
| 413 | 3771 | 115 | 125I-ABOPX | -21 | 14 | Human | 5.0 | pKi | = | 5.0 | Binding | PDSP KiDatabase | 180 | 0 | 1 | 5 | -1.0 | Cn1c(=O)n(C)c2c(c1=O)[nH]cn2 | None | ||
| CHEMBL190 | 3771 | 115 | 125I-ABOPX | -21 | 14 | Human | 5.0 | pKi | = | 5.0 | Binding | PDSP KiDatabase | 180 | 0 | 1 | 5 | -1.0 | Cn1c(=O)n(C)c2c(c1=O)[nH]cn2 | None | ||
| DB00277 | 3771 | 115 | 125I-ABOPX | -21 | 14 | Human | 5.0 | pKi | = | 5.0 | Binding | PDSP KiDatabase | 180 | 0 | 1 | 5 | -1.0 | Cn1c(=O)n(C)c2c(c1=O)[nH]cn2 | None | ||
| 11153 | 1995 | 46 | None | -35 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 315 | 2 | 1 | 5 | 3.3 | Nc1nnc(c(n1)c1ccc(cc1)F)c1cc(C)nc(c1)Cl | 32727810 | ||
| 86676119 | 1995 | 46 | None | -35 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 315 | 2 | 1 | 5 | 3.3 | Nc1nnc(c(n1)c1ccc(cc1)F)c1cc(C)nc(c1)Cl | 32727810 | ||
| CHEMBL4594442 | 1995 | 46 | None | -35 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 315 | 2 | 1 | 5 | 3.3 | Nc1nnc(c(n1)c1ccc(cc1)F)c1cc(C)nc(c1)Cl | 32727810 | ||
| DB16192 | 1995 | 46 | None | -35 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 315 | 2 | 1 | 5 | 3.3 | Nc1nnc(c(n1)c1ccc(cc1)F)c1cc(C)nc(c1)Cl | 32727810 | ||
| 5595 | 659 | 24 | None | -16595 | 6 | Human | 3.4 | pKi | = | 3.4 | Binding | Guide to Pharmacology | 391 | 5 | 5 | 11 | -0.0 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(N/N=C/C1CCCCC1)nc2N | 16518376 | ||
| 9576912 | 659 | 24 | None | -16595 | 6 | Human | 3.4 | pKi | = | 3.4 | Binding | Guide to Pharmacology | 391 | 5 | 5 | 11 | -0.0 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(N/N=C/C1CCCCC1)nc2N | 16518376 | ||
| CHEMBL1950554 | 659 | 24 | None | -16595 | 6 | Human | 3.4 | pKi | = | 3.4 | Binding | Guide to Pharmacology | 391 | 5 | 5 | 11 | -0.0 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(N/N=C/C1CCCCC1)nc2N | 16518376 | ||
| DB04853 | 659 | 24 | None | -16595 | 6 | Human | 3.4 | pKi | = | 3.4 | Binding | Guide to Pharmacology | 391 | 5 | 5 | 11 | -0.0 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(N/N=C/C1CCCCC1)nc2N | 16518376 | ||
| 423 | 2687 | 54 | None | -89125 | 8 | Human | 3.8 | pKi | = | 3.8 | Binding | Guide to Pharmacology | 349 | 4 | 4 | 9 | 0.2 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NC1CCCCC1 | 6253037 | ||
| 9841284 | 2687 | 54 | None | -89125 | 8 | Human | 3.8 | pKi | = | 3.8 | Binding | Guide to Pharmacology | 349 | 4 | 4 | 9 | 0.2 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NC1CCCCC1 | 6253037 | ||
| CHEMBL45891 | 2687 | 54 | None | -89125 | 8 | Human | 3.8 | pKi | = | 3.8 | Binding | Guide to Pharmacology | 349 | 4 | 4 | 9 | 0.2 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NC1CCCCC1 | 6253037 | ||
| 3086599 | 901 | 45 | None | -3630 | 8 | Human | 4.2 | pKi | = | 4.2 | Binding | Guide to Pharmacology | 499 | 10 | 6 | 11 | -0.2 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(NCCc1ccc(cc1)CCC(=O)O)nc2N | 10496952 | ||
| 3086599 | 901 | 45 | None | -3630 | 8 | Human | 4.2 | pKi | = | 4.2 | Binding | Guide to Pharmacology | 499 | 10 | 6 | 11 | -0.2 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(NCCc1ccc(cc1)CCC(=O)O)nc2N | 11093773 | ||
| 3086599 | 901 | 45 | None | -3630 | 8 | Human | 4.2 | pKi | = | 4.2 | Binding | Guide to Pharmacology | 499 | 10 | 6 | 11 | -0.2 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(NCCc1ccc(cc1)CCC(=O)O)nc2N | 16518376 | ||
| 375 | 901 | 45 | None | -3630 | 8 | Human | 4.2 | pKi | = | 4.2 | Binding | Guide to Pharmacology | 499 | 10 | 6 | 11 | -0.2 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(NCCc1ccc(cc1)CCC(=O)O)nc2N | 10496952 | ||
| 375 | 901 | 45 | None | -3630 | 8 | Human | 4.2 | pKi | = | 4.2 | Binding | Guide to Pharmacology | 499 | 10 | 6 | 11 | -0.2 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(NCCc1ccc(cc1)CCC(=O)O)nc2N | 11093773 | ||
| 375 | 901 | 45 | None | -3630 | 8 | Human | 4.2 | pKi | = | 4.2 | Binding | Guide to Pharmacology | 499 | 10 | 6 | 11 | -0.2 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(NCCc1ccc(cc1)CCC(=O)O)nc2N | 16518376 | ||
| 424 | 901 | 45 | None | -3630 | 8 | Human | 4.2 | pKi | = | 4.2 | Binding | Guide to Pharmacology | 499 | 10 | 6 | 11 | -0.2 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(NCCc1ccc(cc1)CCC(=O)O)nc2N | 10496952 | ||
| 424 | 901 | 45 | None | -3630 | 8 | Human | 4.2 | pKi | = | 4.2 | Binding | Guide to Pharmacology | 499 | 10 | 6 | 11 | -0.2 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(NCCc1ccc(cc1)CCC(=O)O)nc2N | 11093773 | ||
| 424 | 901 | 45 | None | -3630 | 8 | Human | 4.2 | pKi | = | 4.2 | Binding | Guide to Pharmacology | 499 | 10 | 6 | 11 | -0.2 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(NCCc1ccc(cc1)CCC(=O)O)nc2N | 16518376 | ||
| CHEMBL331372 | 901 | 45 | None | -3630 | 8 | Human | 4.2 | pKi | = | 4.2 | Binding | Guide to Pharmacology | 499 | 10 | 6 | 11 | -0.2 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(NCCc1ccc(cc1)CCC(=O)O)nc2N | 10496952 | ||
| CHEMBL331372 | 901 | 45 | None | -3630 | 8 | Human | 4.2 | pKi | = | 4.2 | Binding | Guide to Pharmacology | 499 | 10 | 6 | 11 | -0.2 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(NCCc1ccc(cc1)CCC(=O)O)nc2N | 11093773 | ||
| CHEMBL331372 | 901 | 45 | None | -3630 | 8 | Human | 4.2 | pKi | = | 4.2 | Binding | Guide to Pharmacology | 499 | 10 | 6 | 11 | -0.2 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(NCCc1ccc(cc1)CCC(=O)O)nc2N | 16518376 | ||
| 2519 | 776 | 86 | None | -47 | 12 | Rat | 4.5 | pKi | = | 4.5 | Binding | Guide to Pharmacology | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | 8135856 | ||
| 407 | 776 | 86 | None | -47 | 12 | Rat | 4.5 | pKi | = | 4.5 | Binding | Guide to Pharmacology | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | 8135856 | ||
| 463 | 776 | 86 | None | -47 | 12 | Rat | 4.5 | pKi | = | 4.5 | Binding | Guide to Pharmacology | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | 8135856 | ||
| CHEMBL113 | 776 | 86 | None | -47 | 12 | Rat | 4.5 | pKi | = | 4.5 | Binding | Guide to Pharmacology | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | 8135856 | ||
| DB00201 | 776 | 86 | None | -47 | 12 | Rat | 4.5 | pKi | = | 4.5 | Binding | Guide to Pharmacology | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | 8135856 | ||
| 123807 | 868 | 54 | None | -13803 | 13 | Human | 4.6 | pKi | = | 4.6 | Binding | Guide to Pharmacology | 369 | 4 | 4 | 9 | 0.4 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(Cl)nc2NC1CCCC1 | 10496952 | ||
| 123807 | 868 | 54 | None | -13803 | 13 | Human | 4.6 | pKi | = | 4.6 | Binding | Guide to Pharmacology | 369 | 4 | 4 | 9 | 0.4 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(Cl)nc2NC1CCCC1 | 16518376 | ||
| 374 | 868 | 54 | None | -13803 | 13 | Human | 4.6 | pKi | = | 4.6 | Binding | Guide to Pharmacology | 369 | 4 | 4 | 9 | 0.4 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(Cl)nc2NC1CCCC1 | 10496952 | ||
| 374 | 868 | 54 | None | -13803 | 13 | Human | 4.6 | pKi | = | 4.6 | Binding | Guide to Pharmacology | 369 | 4 | 4 | 9 | 0.4 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(Cl)nc2NC1CCCC1 | 16518376 | ||
| 379 | 868 | 54 | None | -13803 | 13 | Human | 4.6 | pKi | = | 4.6 | Binding | Guide to Pharmacology | 369 | 4 | 4 | 9 | 0.4 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(Cl)nc2NC1CCCC1 | 10496952 | ||
| 379 | 868 | 54 | None | -13803 | 13 | Human | 4.6 | pKi | = | 4.6 | Binding | Guide to Pharmacology | 369 | 4 | 4 | 9 | 0.4 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(Cl)nc2NC1CCCC1 | 16518376 | ||
| CHEMBL284969 | 868 | 54 | None | -13803 | 13 | Human | 4.6 | pKi | = | 4.6 | Binding | Guide to Pharmacology | 369 | 4 | 4 | 9 | 0.4 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(Cl)nc2NC1CCCC1 | 10496952 | ||
| CHEMBL284969 | 868 | 54 | None | -13803 | 13 | Human | 4.6 | pKi | = | 4.6 | Binding | Guide to Pharmacology | 369 | 4 | 4 | 9 | 0.4 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(Cl)nc2NC1CCCC1 | 16518376 | ||
| 2153 | 3771 | 115 | None | -21 | 14 | Human | 4.6 | pKi | = | 4.6 | Binding | Guide to Pharmacology | 180 | 0 | 1 | 5 | -1.0 | Cn1c(=O)n(C)c2c(c1=O)[nH]cn2 | 11705449 | ||
| 2153 | 3771 | 115 | None | -21 | 14 | Human | 4.6 | pKi | = | 4.6 | Binding | Guide to Pharmacology | 180 | 0 | 1 | 5 | -1.0 | Cn1c(=O)n(C)c2c(c1=O)[nH]cn2 | 12014951 | ||
| 2153 | 3771 | 115 | None | -21 | 14 | Human | 4.6 | pKi | = | 4.6 | Binding | Guide to Pharmacology | 180 | 0 | 1 | 5 | -1.0 | Cn1c(=O)n(C)c2c(c1=O)[nH]cn2 | 16219300 | ||
| 2153 | 3771 | 115 | None | -21 | 14 | Human | 4.6 | pKi | = | 4.6 | Binding | Guide to Pharmacology | 180 | 0 | 1 | 5 | -1.0 | Cn1c(=O)n(C)c2c(c1=O)[nH]cn2 | 18404493 | ||
| 2620 | 3771 | 115 | None | -21 | 14 | Human | 4.6 | pKi | = | 4.6 | Binding | Guide to Pharmacology | 180 | 0 | 1 | 5 | -1.0 | Cn1c(=O)n(C)c2c(c1=O)[nH]cn2 | 11705449 | ||
| 2620 | 3771 | 115 | None | -21 | 14 | Human | 4.6 | pKi | = | 4.6 | Binding | Guide to Pharmacology | 180 | 0 | 1 | 5 | -1.0 | Cn1c(=O)n(C)c2c(c1=O)[nH]cn2 | 12014951 | ||
| 2620 | 3771 | 115 | None | -21 | 14 | Human | 4.6 | pKi | = | 4.6 | Binding | Guide to Pharmacology | 180 | 0 | 1 | 5 | -1.0 | Cn1c(=O)n(C)c2c(c1=O)[nH]cn2 | 16219300 | ||
| 2620 | 3771 | 115 | None | -21 | 14 | Human | 4.6 | pKi | = | 4.6 | Binding | Guide to Pharmacology | 180 | 0 | 1 | 5 | -1.0 | Cn1c(=O)n(C)c2c(c1=O)[nH]cn2 | 18404493 | ||
| 413 | 3771 | 115 | None | -21 | 14 | Human | 4.6 | pKi | = | 4.6 | Binding | Guide to Pharmacology | 180 | 0 | 1 | 5 | -1.0 | Cn1c(=O)n(C)c2c(c1=O)[nH]cn2 | 11705449 | ||
| 413 | 3771 | 115 | None | -21 | 14 | Human | 4.6 | pKi | = | 4.6 | Binding | Guide to Pharmacology | 180 | 0 | 1 | 5 | -1.0 | Cn1c(=O)n(C)c2c(c1=O)[nH]cn2 | 12014951 | ||
| 413 | 3771 | 115 | None | -21 | 14 | Human | 4.6 | pKi | = | 4.6 | Binding | Guide to Pharmacology | 180 | 0 | 1 | 5 | -1.0 | Cn1c(=O)n(C)c2c(c1=O)[nH]cn2 | 16219300 | ||
| 413 | 3771 | 115 | None | -21 | 14 | Human | 4.6 | pKi | = | 4.6 | Binding | Guide to Pharmacology | 180 | 0 | 1 | 5 | -1.0 | Cn1c(=O)n(C)c2c(c1=O)[nH]cn2 | 18404493 | ||
| CHEMBL190 | 3771 | 115 | None | -21 | 14 | Human | 4.6 | pKi | = | 4.6 | Binding | Guide to Pharmacology | 180 | 0 | 1 | 5 | -1.0 | Cn1c(=O)n(C)c2c(c1=O)[nH]cn2 | 11705449 | ||
| CHEMBL190 | 3771 | 115 | None | -21 | 14 | Human | 4.6 | pKi | = | 4.6 | Binding | Guide to Pharmacology | 180 | 0 | 1 | 5 | -1.0 | Cn1c(=O)n(C)c2c(c1=O)[nH]cn2 | 12014951 | ||
| CHEMBL190 | 3771 | 115 | None | -21 | 14 | Human | 4.6 | pKi | = | 4.6 | Binding | Guide to Pharmacology | 180 | 0 | 1 | 5 | -1.0 | Cn1c(=O)n(C)c2c(c1=O)[nH]cn2 | 16219300 | ||
| CHEMBL190 | 3771 | 115 | None | -21 | 14 | Human | 4.6 | pKi | = | 4.6 | Binding | Guide to Pharmacology | 180 | 0 | 1 | 5 | -1.0 | Cn1c(=O)n(C)c2c(c1=O)[nH]cn2 | 18404493 | ||
| DB00277 | 3771 | 115 | None | -21 | 14 | Human | 4.6 | pKi | = | 4.6 | Binding | Guide to Pharmacology | 180 | 0 | 1 | 5 | -1.0 | Cn1c(=O)n(C)c2c(c1=O)[nH]cn2 | 11705449 | ||
| DB00277 | 3771 | 115 | None | -21 | 14 | Human | 4.6 | pKi | = | 4.6 | Binding | Guide to Pharmacology | 180 | 0 | 1 | 5 | -1.0 | Cn1c(=O)n(C)c2c(c1=O)[nH]cn2 | 12014951 | ||
| DB00277 | 3771 | 115 | None | -21 | 14 | Human | 4.6 | pKi | = | 4.6 | Binding | Guide to Pharmacology | 180 | 0 | 1 | 5 | -1.0 | Cn1c(=O)n(C)c2c(c1=O)[nH]cn2 | 16219300 | ||
| DB00277 | 3771 | 115 | None | -21 | 14 | Human | 4.6 | pKi | = | 4.6 | Binding | Guide to Pharmacology | 180 | 0 | 1 | 5 | -1.0 | Cn1c(=O)n(C)c2c(c1=O)[nH]cn2 | 18404493 | ||
| 123683 | 3099 | 63 | None | -95499 | 13 | Human | 4.6 | pKi | = | 4.6 | Binding | Guide to Pharmacology | 510 | 5 | 4 | 9 | 0.4 | CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NCc1cccc(c1)I | 10496952 | ||
| 123683 | 3099 | 63 | None | -95499 | 13 | Human | 4.6 | pKi | = | 4.6 | Binding | Guide to Pharmacology | 510 | 5 | 4 | 9 | 0.4 | CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NCc1cccc(c1)I | 16518376 | ||
| 422 | 3099 | 63 | None | -95499 | 13 | Human | 4.6 | pKi | = | 4.6 | Binding | Guide to Pharmacology | 510 | 5 | 4 | 9 | 0.4 | CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NCc1cccc(c1)I | 10496952 | ||
| 422 | 3099 | 63 | None | -95499 | 13 | Human | 4.6 | pKi | = | 4.6 | Binding | Guide to Pharmacology | 510 | 5 | 4 | 9 | 0.4 | CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NCc1cccc(c1)I | 16518376 | ||
| CHEMBL119709 | 3099 | 63 | None | -95499 | 13 | Human | 4.6 | pKi | = | 4.6 | Binding | Guide to Pharmacology | 510 | 5 | 4 | 9 | 0.4 | CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NCc1cccc(c1)I | 10496952 | ||
| CHEMBL119709 | 3099 | 63 | None | -95499 | 13 | Human | 4.6 | pKi | = | 4.6 | Binding | Guide to Pharmacology | 510 | 5 | 4 | 9 | 0.4 | CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NCc1cccc(c1)I | 16518376 | ||
| DB05511 | 3099 | 63 | None | -95499 | 13 | Human | 4.6 | pKi | = | 4.6 | Binding | Guide to Pharmacology | 510 | 5 | 4 | 9 | 0.4 | CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NCc1cccc(c1)I | 10496952 | ||
| DB05511 | 3099 | 63 | None | -95499 | 13 | Human | 4.6 | pKi | = | 4.6 | Binding | Guide to Pharmacology | 510 | 5 | 4 | 9 | 0.4 | CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NCc1cccc(c1)I | 16518376 | ||
| 380 | 1276 | 54 | None | -17782 | 13 | Human | 4.6 | pKi | = | 4.6 | Binding | Guide to Pharmacology | 335 | 4 | 4 | 9 | -0.2 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NC1CCCC1 | 10496952 | ||
| 380 | 1276 | 54 | None | -17782 | 13 | Human | 4.6 | pKi | = | 4.6 | Binding | Guide to Pharmacology | 335 | 4 | 4 | 9 | -0.2 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NC1CCCC1 | 16518376 | ||
| 657378 | 1276 | 54 | None | -17782 | 13 | Human | 4.6 | pKi | = | 4.6 | Binding | Guide to Pharmacology | 335 | 4 | 4 | 9 | -0.2 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NC1CCCC1 | 10496952 | ||
| 657378 | 1276 | 54 | None | -17782 | 13 | Human | 4.6 | pKi | = | 4.6 | Binding | Guide to Pharmacology | 335 | 4 | 4 | 9 | -0.2 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NC1CCCC1 | 16518376 | ||
| CHEMBL68738 | 1276 | 54 | None | -17782 | 13 | Human | 4.6 | pKi | = | 4.6 | Binding | Guide to Pharmacology | 335 | 4 | 4 | 9 | -0.2 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NC1CCCC1 | 10496952 | ||
| CHEMBL68738 | 1276 | 54 | None | -17782 | 13 | Human | 4.6 | pKi | = | 4.6 | Binding | Guide to Pharmacology | 335 | 4 | 4 | 9 | -0.2 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NC1CCCC1 | 16518376 | ||
| 414 | 3357 | 33 | None | -19054 | 12 | Human | 4.7 | pKi | = | 4.7 | Binding | Guide to Pharmacology | 385 | 6 | 4 | 9 | 0.5 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N[C@@H](Cc1ccccc1)C | 10496952 | ||
| 414 | 3357 | 33 | None | -19054 | 12 | Human | 4.7 | pKi | = | 4.7 | Binding | Guide to Pharmacology | 385 | 6 | 4 | 9 | 0.5 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N[C@@H](Cc1ccccc1)C | 11093773 | ||
| 414 | 3357 | 33 | None | -19054 | 12 | Human | 4.7 | pKi | = | 4.7 | Binding | Guide to Pharmacology | 385 | 6 | 4 | 9 | 0.5 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N[C@@H](Cc1ccccc1)C | 11266650 | ||
| 414 | 3357 | 33 | None | -19054 | 12 | Human | 4.7 | pKi | = | 4.7 | Binding | Guide to Pharmacology | 385 | 6 | 4 | 9 | 0.5 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N[C@@H](Cc1ccccc1)C | 16219300 | ||
| 414 | 3357 | 33 | None | -19054 | 12 | Human | 4.7 | pKi | = | 4.7 | Binding | Guide to Pharmacology | 385 | 6 | 4 | 9 | 0.5 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N[C@@H](Cc1ccccc1)C | 6253037 | ||
| 93205 | 3357 | 33 | None | -19054 | 12 | Human | 4.7 | pKi | = | 4.7 | Binding | Guide to Pharmacology | 385 | 6 | 4 | 9 | 0.5 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N[C@@H](Cc1ccccc1)C | 10496952 | ||
| 93205 | 3357 | 33 | None | -19054 | 12 | Human | 4.7 | pKi | = | 4.7 | Binding | Guide to Pharmacology | 385 | 6 | 4 | 9 | 0.5 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N[C@@H](Cc1ccccc1)C | 11093773 | ||
| 93205 | 3357 | 33 | None | -19054 | 12 | Human | 4.7 | pKi | = | 4.7 | Binding | Guide to Pharmacology | 385 | 6 | 4 | 9 | 0.5 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N[C@@H](Cc1ccccc1)C | 11266650 | ||
| 93205 | 3357 | 33 | None | -19054 | 12 | Human | 4.7 | pKi | = | 4.7 | Binding | Guide to Pharmacology | 385 | 6 | 4 | 9 | 0.5 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N[C@@H](Cc1ccccc1)C | 16219300 | ||
| 93205 | 3357 | 33 | None | -19054 | 12 | Human | 4.7 | pKi | = | 4.7 | Binding | Guide to Pharmacology | 385 | 6 | 4 | 9 | 0.5 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N[C@@H](Cc1ccccc1)C | 6253037 | ||
| CHEMBL139000 | 3357 | 33 | None | -19054 | 12 | Human | 4.7 | pKi | = | 4.7 | Binding | Guide to Pharmacology | 385 | 6 | 4 | 9 | 0.5 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N[C@@H](Cc1ccccc1)C | 10496952 | ||
| CHEMBL139000 | 3357 | 33 | None | -19054 | 12 | Human | 4.7 | pKi | = | 4.7 | Binding | Guide to Pharmacology | 385 | 6 | 4 | 9 | 0.5 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N[C@@H](Cc1ccccc1)C | 11093773 | ||
| CHEMBL139000 | 3357 | 33 | None | -19054 | 12 | Human | 4.7 | pKi | = | 4.7 | Binding | Guide to Pharmacology | 385 | 6 | 4 | 9 | 0.5 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N[C@@H](Cc1ccccc1)C | 11266650 | ||
| CHEMBL139000 | 3357 | 33 | None | -19054 | 12 | Human | 4.7 | pKi | = | 4.7 | Binding | Guide to Pharmacology | 385 | 6 | 4 | 9 | 0.5 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N[C@@H](Cc1ccccc1)C | 16219300 | ||
| CHEMBL139000 | 3357 | 33 | None | -19054 | 12 | Human | 4.7 | pKi | = | 4.7 | Binding | Guide to Pharmacology | 385 | 6 | 4 | 9 | 0.5 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N[C@@H](Cc1ccccc1)C | 6253037 | ||
| 2519 | 776 | 86 | None | -11 | 12 | Human | 4.7 | pKi | = | 4.7 | Binding | Guide to Pharmacology | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | 12014951 | ||
| 2519 | 776 | 86 | None | -11 | 12 | Human | 4.7 | pKi | = | 4.7 | Binding | Guide to Pharmacology | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | 18404493 | ||
| 2519 | 776 | 86 | None | -11 | 12 | Human | 4.7 | pKi | = | 4.7 | Binding | Guide to Pharmacology | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | 19569717 | ||
| 407 | 776 | 86 | None | -11 | 12 | Human | 4.7 | pKi | = | 4.7 | Binding | Guide to Pharmacology | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | 12014951 | ||
| 407 | 776 | 86 | None | -11 | 12 | Human | 4.7 | pKi | = | 4.7 | Binding | Guide to Pharmacology | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | 18404493 | ||
| 407 | 776 | 86 | None | -11 | 12 | Human | 4.7 | pKi | = | 4.7 | Binding | Guide to Pharmacology | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | 19569717 | ||
| 463 | 776 | 86 | None | -11 | 12 | Human | 4.7 | pKi | = | 4.7 | Binding | Guide to Pharmacology | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | 12014951 | ||
| 463 | 776 | 86 | None | -11 | 12 | Human | 4.7 | pKi | = | 4.7 | Binding | Guide to Pharmacology | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | 18404493 | ||
| 463 | 776 | 86 | None | -11 | 12 | Human | 4.7 | pKi | = | 4.7 | Binding | Guide to Pharmacology | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | 19569717 | ||
| CHEMBL113 | 776 | 86 | None | -11 | 12 | Human | 4.7 | pKi | = | 4.7 | Binding | Guide to Pharmacology | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | 12014951 | ||
| CHEMBL113 | 776 | 86 | None | -11 | 12 | Human | 4.7 | pKi | = | 4.7 | Binding | Guide to Pharmacology | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | 18404493 | ||
| CHEMBL113 | 776 | 86 | None | -11 | 12 | Human | 4.7 | pKi | = | 4.7 | Binding | Guide to Pharmacology | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | 19569717 | ||
| DB00201 | 776 | 86 | None | -11 | 12 | Human | 4.7 | pKi | = | 4.7 | Binding | Guide to Pharmacology | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | 12014951 | ||
| DB00201 | 776 | 86 | None | -11 | 12 | Human | 4.7 | pKi | = | 4.7 | Binding | Guide to Pharmacology | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | 18404493 | ||
| DB00201 | 776 | 86 | None | -11 | 12 | Human | 4.7 | pKi | = | 4.7 | Binding | Guide to Pharmacology | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | 19569717 | ||
| 414 | 3357 | 33 | None | -16218 | 12 | Mouse | 4.7 | pKi | = | 4.7 | Binding | Guide to Pharmacology | 385 | 6 | 4 | 9 | 0.5 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N[C@@H](Cc1ccccc1)C | 8135856 | ||
| 93205 | 3357 | 33 | None | -16218 | 12 | Mouse | 4.7 | pKi | = | 4.7 | Binding | Guide to Pharmacology | 385 | 6 | 4 | 9 | 0.5 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N[C@@H](Cc1ccccc1)C | 8135856 | ||
| CHEMBL139000 | 3357 | 33 | None | -16218 | 12 | Mouse | 4.7 | pKi | = | 4.7 | Binding | Guide to Pharmacology | 385 | 6 | 4 | 9 | 0.5 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N[C@@H](Cc1ccccc1)C | 8135856 | ||
| 372 | 58 | 103 | None | -2630 | 9 | Human | 4.8 | pKi | = | 4.8 | Binding | Guide to Pharmacology | 301 | 2 | 4 | 9 | -1.3 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(Cl)nc2N | 10496952 | ||
| 372 | 58 | 103 | None | -2630 | 9 | Human | 4.8 | pKi | = | 4.8 | Binding | Guide to Pharmacology | 301 | 2 | 4 | 9 | -1.3 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(Cl)nc2N | 11093773 | ||
| 372 | 58 | 103 | None | -2630 | 9 | Human | 4.8 | pKi | = | 4.8 | Binding | Guide to Pharmacology | 301 | 2 | 4 | 9 | -1.3 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(Cl)nc2N | 6253037 | ||
| 8974 | 58 | 103 | None | -2630 | 9 | Human | 4.8 | pKi | = | 4.8 | Binding | Guide to Pharmacology | 301 | 2 | 4 | 9 | -1.3 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(Cl)nc2N | 10496952 | ||
| 8974 | 58 | 103 | None | -2630 | 9 | Human | 4.8 | pKi | = | 4.8 | Binding | Guide to Pharmacology | 301 | 2 | 4 | 9 | -1.3 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(Cl)nc2N | 11093773 | ||
| 8974 | 58 | 103 | None | -2630 | 9 | Human | 4.8 | pKi | = | 4.8 | Binding | Guide to Pharmacology | 301 | 2 | 4 | 9 | -1.3 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(Cl)nc2N | 6253037 | ||
| CHEMBL285819 | 58 | 103 | None | -2630 | 9 | Human | 4.8 | pKi | = | 4.8 | Binding | Guide to Pharmacology | 301 | 2 | 4 | 9 | -1.3 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(Cl)nc2N | 10496952 | ||
| CHEMBL285819 | 58 | 103 | None | -2630 | 9 | Human | 4.8 | pKi | = | 4.8 | Binding | Guide to Pharmacology | 301 | 2 | 4 | 9 | -1.3 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(Cl)nc2N | 11093773 | ||
| CHEMBL285819 | 58 | 103 | None | -2630 | 9 | Human | 4.8 | pKi | = | 4.8 | Binding | Guide to Pharmacology | 301 | 2 | 4 | 9 | -1.3 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(Cl)nc2N | 6253037 | ||
| 2844 | 282 | 107 | None | -467 | 8 | Human | 4.8 | pKi | = | 4.8 | Binding | Guide to Pharmacology | 267 | 2 | 4 | 9 | -2.0 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 14662005 | ||
| 2844 | 282 | 107 | None | -467 | 8 | Human | 4.8 | pKi | = | 4.8 | Binding | Guide to Pharmacology | 267 | 2 | 4 | 9 | -2.0 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 15822182 | ||
| 2844 | 282 | 107 | None | -467 | 8 | Human | 4.8 | pKi | = | 4.8 | Binding | Guide to Pharmacology | 267 | 2 | 4 | 9 | -2.0 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 7746802 | ||
| 60961 | 282 | 107 | None | -467 | 8 | Human | 4.8 | pKi | = | 4.8 | Binding | Guide to Pharmacology | 267 | 2 | 4 | 9 | -2.0 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 14662005 | ||
| 60961 | 282 | 107 | None | -467 | 8 | Human | 4.8 | pKi | = | 4.8 | Binding | Guide to Pharmacology | 267 | 2 | 4 | 9 | -2.0 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 15822182 | ||
| 60961 | 282 | 107 | None | -467 | 8 | Human | 4.8 | pKi | = | 4.8 | Binding | Guide to Pharmacology | 267 | 2 | 4 | 9 | -2.0 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 7746802 | ||
| 90 | 282 | 107 | None | -467 | 8 | Human | 4.8 | pKi | = | 4.8 | Binding | Guide to Pharmacology | 267 | 2 | 4 | 9 | -2.0 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 14662005 | ||
| 90 | 282 | 107 | None | -467 | 8 | Human | 4.8 | pKi | = | 4.8 | Binding | Guide to Pharmacology | 267 | 2 | 4 | 9 | -2.0 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 15822182 | ||
| 90 | 282 | 107 | None | -467 | 8 | Human | 4.8 | pKi | = | 4.8 | Binding | Guide to Pharmacology | 267 | 2 | 4 | 9 | -2.0 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 7746802 | ||
| CHEMBL477 | 282 | 107 | None | -467 | 8 | Human | 4.8 | pKi | = | 4.8 | Binding | Guide to Pharmacology | 267 | 2 | 4 | 9 | -2.0 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 14662005 | ||
| CHEMBL477 | 282 | 107 | None | -467 | 8 | Human | 4.8 | pKi | = | 4.8 | Binding | Guide to Pharmacology | 267 | 2 | 4 | 9 | -2.0 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 15822182 | ||
| CHEMBL477 | 282 | 107 | None | -467 | 8 | Human | 4.8 | pKi | = | 4.8 | Binding | Guide to Pharmacology | 267 | 2 | 4 | 9 | -2.0 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 7746802 | ||
| DB00640 | 282 | 107 | None | -467 | 8 | Human | 4.8 | pKi | = | 4.8 | Binding | Guide to Pharmacology | 267 | 2 | 4 | 9 | -2.0 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 14662005 | ||
| DB00640 | 282 | 107 | None | -467 | 8 | Human | 4.8 | pKi | = | 4.8 | Binding | Guide to Pharmacology | 267 | 2 | 4 | 9 | -2.0 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 15822182 | ||
| DB00640 | 282 | 107 | None | -467 | 8 | Human | 4.8 | pKi | = | 4.8 | Binding | Guide to Pharmacology | 267 | 2 | 4 | 9 | -2.0 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 7746802 | ||
| 2519 | 776 | 86 | None | -1 | 12 | Mouse | 4.9 | pKi | = | 4.9 | Binding | Guide to Pharmacology | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | 8135856 | ||
| 407 | 776 | 86 | None | -1 | 12 | Mouse | 4.9 | pKi | = | 4.9 | Binding | Guide to Pharmacology | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | 8135856 | ||
| 463 | 776 | 86 | None | -1 | 12 | Mouse | 4.9 | pKi | = | 4.9 | Binding | Guide to Pharmacology | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | 8135856 | ||
| CHEMBL113 | 776 | 86 | None | -1 | 12 | Mouse | 4.9 | pKi | = | 4.9 | Binding | Guide to Pharmacology | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | 8135856 | ||
| DB00201 | 776 | 86 | None | -1 | 12 | Mouse | 4.9 | pKi | = | 4.9 | Binding | Guide to Pharmacology | 194 | 0 | 0 | 6 | -1.0 | Cn1cnc2c1c(=O)n(C)c(=O)n2C | 8135856 | ||
| 5353365 | 1199 | 32 | None | -263 | 6 | Rat | 5.1 | pKi | = | 5.1 | Binding | Guide to Pharmacology | 330 | 2 | 0 | 6 | 1.8 | Clc1cccc(c1)/C=C/c1nc2c(n1C)c(=O)n(c(=O)n2C)C | None | ||
| 5609 | 1199 | 32 | None | -263 | 6 | Rat | 5.1 | pKi | = | 5.1 | Binding | Guide to Pharmacology | 330 | 2 | 0 | 6 | 1.8 | Clc1cccc(c1)/C=C/c1nc2c(n1C)c(=O)n(c(=O)n2C)C | None | ||
| CHEMBL26138 | 1199 | 32 | None | -263 | 6 | Rat | 5.1 | pKi | = | 5.1 | Binding | Guide to Pharmacology | 330 | 2 | 0 | 6 | 1.8 | Clc1cccc(c1)/C=C/c1nc2c(n1C)c(=O)n(c(=O)n2C)C | None | ||
| 2153 | 3771 | 115 | None | 1 | 14 | Mouse | 5.3 | pKi | = | 5.3 | Binding | Guide to Pharmacology | 180 | 0 | 1 | 5 | -1.0 | Cn1c(=O)n(C)c2c(c1=O)[nH]cn2 | 19141710 | ||
| 2620 | 3771 | 115 | None | 1 | 14 | Mouse | 5.3 | pKi | = | 5.3 | Binding | Guide to Pharmacology | 180 | 0 | 1 | 5 | -1.0 | Cn1c(=O)n(C)c2c(c1=O)[nH]cn2 | 19141710 | ||
| 413 | 3771 | 115 | None | 1 | 14 | Mouse | 5.3 | pKi | = | 5.3 | Binding | Guide to Pharmacology | 180 | 0 | 1 | 5 | -1.0 | Cn1c(=O)n(C)c2c(c1=O)[nH]cn2 | 19141710 | ||
| CHEMBL190 | 3771 | 115 | None | 1 | 14 | Mouse | 5.3 | pKi | = | 5.3 | Binding | Guide to Pharmacology | 180 | 0 | 1 | 5 | -1.0 | Cn1c(=O)n(C)c2c(c1=O)[nH]cn2 | 19141710 | ||
| DB00277 | 3771 | 115 | None | 1 | 14 | Mouse | 5.3 | pKi | = | 5.3 | Binding | Guide to Pharmacology | 180 | 0 | 1 | 5 | -1.0 | Cn1c(=O)n(C)c2c(c1=O)[nH]cn2 | 19141710 | ||
| 10046145 | 2665 | 18 | None | -575 | 6 | Human | 5.3 | pKi | = | 5.3 | Binding | Guide to Pharmacology | 394 | 7 | 1 | 8 | 1.1 | OCCCn1c(=O)n(CC#C)c(=O)c2c1nc(n2C)/C=C/c1cccc(c1)OC | 10669571 | ||
| 10046145 | 2665 | 18 | None | -575 | 6 | Human | 5.3 | pKi | = | 5.3 | Binding | Guide to Pharmacology | 394 | 7 | 1 | 8 | 1.1 | OCCCn1c(=O)n(CC#C)c(=O)c2c1nc(n2C)/C=C/c1cccc(c1)OC | 15696333 | ||
| 5610 | 2665 | 18 | None | -575 | 6 | Human | 5.3 | pKi | = | 5.3 | Binding | Guide to Pharmacology | 394 | 7 | 1 | 8 | 1.1 | OCCCn1c(=O)n(CC#C)c(=O)c2c1nc(n2C)/C=C/c1cccc(c1)OC | 10669571 | ||
| 5610 | 2665 | 18 | None | -575 | 6 | Human | 5.3 | pKi | = | 5.3 | Binding | Guide to Pharmacology | 394 | 7 | 1 | 8 | 1.1 | OCCCn1c(=O)n(CC#C)c(=O)c2c1nc(n2C)/C=C/c1cccc(c1)OC | 15696333 | ||
| CHEMBL413079 | 2665 | 18 | None | -575 | 6 | Human | 5.3 | pKi | = | 5.3 | Binding | Guide to Pharmacology | 394 | 7 | 1 | 8 | 1.1 | OCCCn1c(=O)n(CC#C)c(=O)c2c1nc(n2C)/C=C/c1cccc(c1)OC | 10669571 | ||
| CHEMBL413079 | 2665 | 18 | None | -575 | 6 | Human | 5.3 | pKi | = | 5.3 | Binding | Guide to Pharmacology | 394 | 7 | 1 | 8 | 1.1 | OCCCn1c(=O)n(CC#C)c(=O)c2c1nc(n2C)/C=C/c1cccc(c1)OC | 15696333 | ||
| 2844 | 282 | 107 | None | -158 | 8 | Rat | 5.3 | pKi | = | 5.3 | Binding | Guide to Pharmacology | 267 | 2 | 4 | 9 | -2.0 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 14662005 | ||
| 60961 | 282 | 107 | None | -158 | 8 | Rat | 5.3 | pKi | = | 5.3 | Binding | Guide to Pharmacology | 267 | 2 | 4 | 9 | -2.0 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 14662005 | ||
| 90 | 282 | 107 | None | -158 | 8 | Rat | 5.3 | pKi | = | 5.3 | Binding | Guide to Pharmacology | 267 | 2 | 4 | 9 | -2.0 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 14662005 | ||
| CHEMBL477 | 282 | 107 | None | -158 | 8 | Rat | 5.3 | pKi | = | 5.3 | Binding | Guide to Pharmacology | 267 | 2 | 4 | 9 | -2.0 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 14662005 | ||
| DB00640 | 282 | 107 | None | -158 | 8 | Rat | 5.3 | pKi | = | 5.3 | Binding | Guide to Pharmacology | 267 | 2 | 4 | 9 | -2.0 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 14662005 | ||
| 2099 | 3024 | 81 | None | 19 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | Guide to Pharmacology | 278 | 5 | 0 | 7 | 0.2 | CC(=O)CCCCn1c(=O)c2n(C)cnc2n(c1=O)C | 12014951 | ||
| 4740 | 3024 | 81 | None | 19 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | Guide to Pharmacology | 278 | 5 | 0 | 7 | 0.2 | CC(=O)CCCCn1c(=O)c2n(C)cnc2n(c1=O)C | 12014951 | ||
| 7095 | 3024 | 81 | None | 19 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | Guide to Pharmacology | 278 | 5 | 0 | 7 | 0.2 | CC(=O)CCCCn1c(=O)c2n(C)cnc2n(c1=O)C | 12014951 | ||
| CHEMBL628 | 3024 | 81 | None | 19 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | Guide to Pharmacology | 278 | 5 | 0 | 7 | 0.2 | CC(=O)CCCCn1c(=O)c2n(C)cnc2n(c1=O)C | 12014951 | ||
| DB00806 | 3024 | 81 | None | 19 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | Guide to Pharmacology | 278 | 5 | 0 | 7 | 0.2 | CC(=O)CCCCn1c(=O)c2n(C)cnc2n(c1=O)C | 12014951 | ||
| 3281 | 1358 | 54 | None | -4265 | 7 | Human | 5.4 | pKi | = | 5.4 | Binding | Guide to Pharmacology | 308 | 3 | 3 | 4 | 3.3 | O[C@@H]1CC[C@H](CC1)Nc1nc(nc2c1cc[nH]2)c1ccccc1 | 17558436 | ||
| 9953065 | 1358 | 54 | None | -4265 | 7 | Human | 5.4 | pKi | = | 5.4 | Binding | Guide to Pharmacology | 308 | 3 | 3 | 4 | 3.3 | O[C@@H]1CC[C@H](CC1)Nc1nc(nc2c1cc[nH]2)c1ccccc1 | 17558436 | ||
| CHEMBL4204703 | 1358 | 54 | None | -4265 | 7 | Human | 5.4 | pKi | = | 5.4 | Binding | Guide to Pharmacology | 308 | 3 | 3 | 4 | 3.3 | O[C@@H]1CC[C@H](CC1)Nc1nc(nc2c1cc[nH]2)c1ccccc1 | 17558436 | ||
| CHEMBL592435 | 1358 | 54 | None | -4265 | 7 | Human | 5.4 | pKi | = | 5.4 | Binding | Guide to Pharmacology | 308 | 3 | 3 | 4 | 3.3 | O[C@@H]1CC[C@H](CC1)Nc1nc(nc2c1cc[nH]2)c1ccccc1 | 17558436 | ||
| DB12446 | 1358 | 54 | None | -4265 | 7 | Human | 5.4 | pKi | = | 5.4 | Binding | Guide to Pharmacology | 308 | 3 | 3 | 4 | 3.3 | O[C@@H]1CC[C@H](CC1)Nc1nc(nc2c1cc[nH]2)c1ccccc1 | 17558436 | ||
| 135401232 | 3184 | 5 | None | -1698 | 7 | Mouse | 5.7 | pKi | = | 5.7 | Binding | Guide to Pharmacology | 397 | 2 | 1 | 3 | 4.4 | CC[C@H]1N=c2n(C1)c(=O)n(c1c2[nH]c(n1)c1cc(Cl)cc(c1Cl)Cl)C | 12139454 | ||
| 5619 | 3184 | 5 | None | -1698 | 7 | Mouse | 5.7 | pKi | = | 5.7 | Binding | Guide to Pharmacology | 397 | 2 | 1 | 3 | 4.4 | CC[C@H]1N=c2n(C1)c(=O)n(c1c2[nH]c(n1)c1cc(Cl)cc(c1Cl)Cl)C | 12139454 | ||
| CHEMBL1562432 | 3184 | 5 | None | -1698 | 7 | Mouse | 5.7 | pKi | = | 5.7 | Binding | Guide to Pharmacology | 397 | 2 | 1 | 3 | 4.4 | CC[C@H]1N=c2n(C1)c(=O)n(c1c2[nH]c(n1)c1cc(Cl)cc(c1Cl)Cl)C | 12139454 | ||
| 135433658 | 3185 | 3 | None | -208 | 8 | Mouse | 5.7 | pKi | = | 5.7 | Binding | Guide to Pharmacology | 295 | 2 | 1 | 3 | 2.5 | CC[C@@H]1Cn2c(=N1)c1[nH]c(nc1n(c2=O)C)c1ccccc1 | 12139454 | ||
| 5620 | 3185 | 3 | None | -208 | 8 | Mouse | 5.7 | pKi | = | 5.7 | Binding | Guide to Pharmacology | 295 | 2 | 1 | 3 | 2.5 | CC[C@@H]1Cn2c(=N1)c1[nH]c(nc1n(c2=O)C)c1ccccc1 | 12139454 | ||
| 9882625 | 3185 | 3 | None | -208 | 8 | Mouse | 5.7 | pKi | = | 5.7 | Binding | Guide to Pharmacology | 295 | 2 | 1 | 3 | 2.5 | CC[C@@H]1Cn2c(=N1)c1[nH]c(nc1n(c2=O)C)c1ccccc1 | 12139454 | ||
| CHEMBL1625681 | 3185 | 3 | None | -208 | 8 | Mouse | 5.7 | pKi | = | 5.7 | Binding | Guide to Pharmacology | 295 | 2 | 1 | 3 | 2.5 | CC[C@@H]1Cn2c(=N1)c1[nH]c(nc1n(c2=O)C)c1ccccc1 | 12139454 | ||
| 377 | 2738 | 53 | None | -4265 | 15 | Mouse | 5.7 | pKi | = | 5.7 | Binding | Guide to Pharmacology | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | None | ||
| 425 | 2738 | 53 | None | -4265 | 15 | Mouse | 5.7 | pKi | = | 5.7 | Binding | Guide to Pharmacology | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | None | ||
| 448222 | 2738 | 53 | None | -4265 | 15 | Mouse | 5.7 | pKi | = | 5.7 | Binding | Guide to Pharmacology | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | None | ||
| CHEMBL464859 | 2738 | 53 | None | -4265 | 15 | Mouse | 5.7 | pKi | = | 5.7 | Binding | Guide to Pharmacology | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | None | ||
| 459 | 2600 | 34 | None | -389 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | Guide to Pharmacology | 432 | 6 | 2 | 9 | 3.8 | CCCn1cc2c(n1)nc(n1c2nc(n1)c1ccco1)NC(=O)Nc1ccc(cc1)OC | 10779381 | ||
| 459 | 2600 | 34 | None | -389 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | Guide to Pharmacology | 432 | 6 | 2 | 9 | 3.8 | CCCn1cc2c(n1)nc(n1c2nc(n1)c1ccco1)NC(=O)Nc1ccc(cc1)OC | 16219300 | ||
| 459 | 2600 | 34 | None | -389 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | Guide to Pharmacology | 432 | 6 | 2 | 9 | 3.8 | CCCn1cc2c(n1)nc(n1c2nc(n1)c1ccco1)NC(=O)Nc1ccc(cc1)OC | 16518376 | ||
| 477 | 2600 | 34 | None | -389 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | Guide to Pharmacology | 432 | 6 | 2 | 9 | 3.8 | CCCn1cc2c(n1)nc(n1c2nc(n1)c1ccco1)NC(=O)Nc1ccc(cc1)OC | 10779381 | ||
| 477 | 2600 | 34 | None | -389 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | Guide to Pharmacology | 432 | 6 | 2 | 9 | 3.8 | CCCn1cc2c(n1)nc(n1c2nc(n1)c1ccco1)NC(=O)Nc1ccc(cc1)OC | 16219300 | ||
| 477 | 2600 | 34 | None | -389 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | Guide to Pharmacology | 432 | 6 | 2 | 9 | 3.8 | CCCn1cc2c(n1)nc(n1c2nc(n1)c1ccco1)NC(=O)Nc1ccc(cc1)OC | 16518376 | ||
| 5310960 | 2600 | 34 | None | -389 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | Guide to Pharmacology | 432 | 6 | 2 | 9 | 3.8 | CCCn1cc2c(n1)nc(n1c2nc(n1)c1ccco1)NC(=O)Nc1ccc(cc1)OC | 10779381 | ||
| 5310960 | 2600 | 34 | None | -389 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | Guide to Pharmacology | 432 | 6 | 2 | 9 | 3.8 | CCCn1cc2c(n1)nc(n1c2nc(n1)c1ccco1)NC(=O)Nc1ccc(cc1)OC | 16219300 | ||
| 5310960 | 2600 | 34 | None | -389 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | Guide to Pharmacology | 432 | 6 | 2 | 9 | 3.8 | CCCn1cc2c(n1)nc(n1c2nc(n1)c1ccco1)NC(=O)Nc1ccc(cc1)OC | 16518376 | ||
| CHEMBL302765 | 2600 | 34 | None | -389 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | Guide to Pharmacology | 432 | 6 | 2 | 9 | 3.8 | CCCn1cc2c(n1)nc(n1c2nc(n1)c1ccco1)NC(=O)Nc1ccc(cc1)OC | 10779381 | ||
| CHEMBL302765 | 2600 | 34 | None | -389 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | Guide to Pharmacology | 432 | 6 | 2 | 9 | 3.8 | CCCn1cc2c(n1)nc(n1c2nc(n1)c1ccco1)NC(=O)Nc1ccc(cc1)OC | 16219300 | ||
| CHEMBL302765 | 2600 | 34 | None | -389 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | Guide to Pharmacology | 432 | 6 | 2 | 9 | 3.8 | CCCn1cc2c(n1)nc(n1c2nc(n1)c1ccco1)NC(=O)Nc1ccc(cc1)OC | 16518376 | ||
| 5606 | 1631 | 17 | None | -1995 | 6 | Human | 6.0 | pKi | = | 6.0 | Binding | Guide to Pharmacology | 375 | 5 | 1 | 4 | 3.8 | OCC[C@H]1CCCCN1C(=O)/C=C/c1c(nn2c1cccc2)c1ccccc1 | 16518376 | ||
| 6439091 | 1631 | 17 | None | -1995 | 6 | Human | 6.0 | pKi | = | 6.0 | Binding | Guide to Pharmacology | 375 | 5 | 1 | 4 | 3.8 | OCC[C@H]1CCCCN1C(=O)/C=C/c1c(nn2c1cccc2)c1ccccc1 | 16518376 | ||
| CHEMBL440115 | 1631 | 17 | None | -1995 | 6 | Human | 6.0 | pKi | = | 6.0 | Binding | Guide to Pharmacology | 375 | 5 | 1 | 4 | 3.8 | OCC[C@H]1CCCCN1C(=O)/C=C/c1c(nn2c1cccc2)c1ccccc1 | 16518376 | ||
| 135409562 | 2171 | 7 | None | -3090 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | Guide to Pharmacology | 373 | 3 | 1 | 3 | 3.3 | CCCn1c2nc([nH]c2c2=NCCn2c1=O)c1ccc(cc1)Br | 12063073 | ||
| 5618 | 2171 | 7 | None | -3090 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | Guide to Pharmacology | 373 | 3 | 1 | 3 | 3.3 | CCCn1c2nc([nH]c2c2=NCCn2c1=O)c1ccc(cc1)Br | 12063073 | ||
| CHEMBL2181965 | 2171 | 7 | None | -3090 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | Guide to Pharmacology | 373 | 3 | 1 | 3 | 3.3 | CCCn1c2nc([nH]c2c2=NCCn2c1=O)c1ccc(cc1)Br | 12063073 | ||
| 176408 | 3531 | 84 | None | -407 | 7 | Human | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 345 | 4 | 1 | 8 | 2.6 | Nc1nc2n(CCc3ccccc3)ncc2c2n1nc(n2)c1ccco1 | 11093773 | ||
| 176408 | 3531 | 84 | None | -407 | 7 | Human | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 345 | 4 | 1 | 8 | 2.6 | Nc1nc2n(CCc3ccccc3)ncc2c2n1nc(n2)c1ccco1 | 16518376 | ||
| 403 | 3531 | 84 | None | -407 | 7 | Human | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 345 | 4 | 1 | 8 | 2.6 | Nc1nc2n(CCc3ccccc3)ncc2c2n1nc(n2)c1ccco1 | 11093773 | ||
| 403 | 3531 | 84 | None | -407 | 7 | Human | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 345 | 4 | 1 | 8 | 2.6 | Nc1nc2n(CCc3ccccc3)ncc2c2n1nc(n2)c1ccco1 | 16518376 | ||
| 431 | 3531 | 84 | None | -407 | 7 | Human | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 345 | 4 | 1 | 8 | 2.6 | Nc1nc2n(CCc3ccccc3)ncc2c2n1nc(n2)c1ccco1 | 11093773 | ||
| 431 | 3531 | 84 | None | -407 | 7 | Human | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 345 | 4 | 1 | 8 | 2.6 | Nc1nc2n(CCc3ccccc3)ncc2c2n1nc(n2)c1ccco1 | 16518376 | ||
| CHEMBL17127 | 3531 | 84 | None | -407 | 7 | Human | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 345 | 4 | 1 | 8 | 2.6 | Nc1nc2n(CCc3ccccc3)ncc2c2n1nc(n2)c1ccco1 | 11093773 | ||
| CHEMBL17127 | 3531 | 84 | None | -407 | 7 | Human | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 345 | 4 | 1 | 8 | 2.6 | Nc1nc2n(CCc3ccccc3)ncc2c2n1nc(n2)c1ccco1 | 16518376 | ||
| 377 | 2738 | 53 | None | -1479 | 15 | Human | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10496952 | ||
| 377 | 2738 | 53 | None | -1479 | 15 | Human | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 11093773 | ||
| 377 | 2738 | 53 | None | -1479 | 15 | Human | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 11266650 | ||
| 377 | 2738 | 53 | None | -1479 | 15 | Human | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 14662005 | ||
| 377 | 2738 | 53 | None | -1479 | 15 | Human | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 15194002 | ||
| 377 | 2738 | 53 | None | -1479 | 15 | Human | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 15267242 | ||
| 377 | 2738 | 53 | None | -1479 | 15 | Human | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 16219300 | ||
| 425 | 2738 | 53 | None | -1479 | 15 | Human | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10496952 | ||
| 425 | 2738 | 53 | None | -1479 | 15 | Human | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 11093773 | ||
| 425 | 2738 | 53 | None | -1479 | 15 | Human | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 11266650 | ||
| 425 | 2738 | 53 | None | -1479 | 15 | Human | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 14662005 | ||
| 425 | 2738 | 53 | None | -1479 | 15 | Human | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 15194002 | ||
| 425 | 2738 | 53 | None | -1479 | 15 | Human | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 15267242 | ||
| 425 | 2738 | 53 | None | -1479 | 15 | Human | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 16219300 | ||
| 448222 | 2738 | 53 | None | -1479 | 15 | Human | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10496952 | ||
| 448222 | 2738 | 53 | None | -1479 | 15 | Human | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 11093773 | ||
| 448222 | 2738 | 53 | None | -1479 | 15 | Human | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 11266650 | ||
| 448222 | 2738 | 53 | None | -1479 | 15 | Human | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 14662005 | ||
| 448222 | 2738 | 53 | None | -1479 | 15 | Human | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 15194002 | ||
| 448222 | 2738 | 53 | None | -1479 | 15 | Human | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 15267242 | ||
| 448222 | 2738 | 53 | None | -1479 | 15 | Human | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 16219300 | ||
| CHEMBL464859 | 2738 | 53 | None | -1479 | 15 | Human | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 10496952 | ||
| CHEMBL464859 | 2738 | 53 | None | -1479 | 15 | Human | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 11093773 | ||
| CHEMBL464859 | 2738 | 53 | None | -1479 | 15 | Human | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 11266650 | ||
| CHEMBL464859 | 2738 | 53 | None | -1479 | 15 | Human | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 14662005 | ||
| CHEMBL464859 | 2738 | 53 | None | -1479 | 15 | Human | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 15194002 | ||
| CHEMBL464859 | 2738 | 53 | None | -1479 | 15 | Human | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 15267242 | ||
| CHEMBL464859 | 2738 | 53 | None | -1479 | 15 | Human | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 308 | 3 | 4 | 9 | -1.8 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | 16219300 | ||
| 3281 | 1358 | 54 | None | -537 | 7 | Rat | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 308 | 3 | 3 | 4 | 3.3 | O[C@@H]1CC[C@H](CC1)Nc1nc(nc2c1cc[nH]2)c1ccccc1 | 17558436 | ||
| 9953065 | 1358 | 54 | None | -537 | 7 | Rat | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 308 | 3 | 3 | 4 | 3.3 | O[C@@H]1CC[C@H](CC1)Nc1nc(nc2c1cc[nH]2)c1ccccc1 | 17558436 | ||
| CHEMBL4204703 | 1358 | 54 | None | -537 | 7 | Rat | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 308 | 3 | 3 | 4 | 3.3 | O[C@@H]1CC[C@H](CC1)Nc1nc(nc2c1cc[nH]2)c1ccccc1 | 17558436 | ||
| CHEMBL592435 | 1358 | 54 | None | -537 | 7 | Rat | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 308 | 3 | 3 | 4 | 3.3 | O[C@@H]1CC[C@H](CC1)Nc1nc(nc2c1cc[nH]2)c1ccccc1 | 17558436 | ||
| DB12446 | 1358 | 54 | None | -537 | 7 | Rat | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 308 | 3 | 3 | 4 | 3.3 | O[C@@H]1CC[C@H](CC1)Nc1nc(nc2c1cc[nH]2)c1ccccc1 | 17558436 | ||
| 5613 | 3659 | 35 | None | -45 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | Guide to Pharmacology | 272 | 4 | 1 | 8 | 0.9 | CCCCc1nc(N)c2c(n1)n(C)c(n2)n1nccn1 | 16250647 | ||
| 9860294 | 3659 | 35 | None | -45 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | Guide to Pharmacology | 272 | 4 | 1 | 8 | 0.9 | CCCCc1nc(N)c2c(n1)n(C)c(n2)n1nccn1 | 16250647 | ||
| CHEMBL197669 | 3659 | 35 | None | -45 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | Guide to Pharmacology | 272 | 4 | 1 | 8 | 0.9 | CCCCc1nc(N)c2c(n1)n(C)c(n2)n1nccn1 | 16250647 | ||
| 11717831 | 582 | 48 | None | -60 | 5 | Mouse | 6.5 | pKi | = | 6.5 | Binding | Guide to Pharmacology | 379 | 7 | 2 | 7 | 2.4 | N#Cc1c(N)nc(c(c1c1ccc(cc1)OCC1CC1)C#N)SCC(=O)N | 17632123 | ||
| 3289 | 582 | 48 | None | -60 | 5 | Mouse | 6.5 | pKi | = | 6.5 | Binding | Guide to Pharmacology | 379 | 7 | 2 | 7 | 2.4 | N#Cc1c(N)nc(c(c1c1ccc(cc1)OCC1CC1)C#N)SCC(=O)N | 17632123 | ||
| CHEMBL4202825 | 582 | 48 | None | -60 | 5 | Mouse | 6.5 | pKi | = | 6.5 | Binding | Guide to Pharmacology | 379 | 7 | 2 | 7 | 2.4 | N#Cc1c(N)nc(c(c1c1ccc(cc1)OCC1CC1)C#N)SCC(=O)N | 17632123 | ||
| 5604 | 3343 | 35 | None | -1995 | 10 | Human | 6.5 | pKi | = | 6.5 | Binding | Guide to Pharmacology | 356 | 5 | 1 | 5 | 2.8 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C12CC3CC2CC(C1)C3 | 17125264 | ||
| 64627 | 3343 | 35 | None | -1995 | 10 | Human | 6.5 | pKi | = | 6.5 | Binding | Guide to Pharmacology | 356 | 5 | 1 | 5 | 2.8 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C12CC3CC2CC(C1)C3 | 17125264 | ||
| CHEMBL52333 | 3343 | 35 | None | -1995 | 10 | Human | 6.5 | pKi | = | 6.5 | Binding | Guide to Pharmacology | 356 | 5 | 1 | 5 | 2.8 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C12CC3CC2CC(C1)C3 | 17125264 | ||
| DB05360 | 3343 | 35 | None | -1995 | 10 | Human | 6.5 | pKi | = | 6.5 | Binding | Guide to Pharmacology | 356 | 5 | 1 | 5 | 2.8 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C12CC3CC2CC(C1)C3 | 17125264 | ||
| 1329 | 1460 | 86 | None | -1905 | 14 | Rat | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 304 | 5 | 1 | 5 | 2.4 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C1CCCC1 | 12014951 | ||
| 1329 | 1460 | 86 | None | -1905 | 14 | Rat | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 304 | 5 | 1 | 5 | 2.4 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C1CCCC1 | 12954362 | ||
| 386 | 1460 | 86 | None | -1905 | 14 | Rat | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 304 | 5 | 1 | 5 | 2.4 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C1CCCC1 | 12014951 | ||
| 386 | 1460 | 86 | None | -1905 | 14 | Rat | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 304 | 5 | 1 | 5 | 2.4 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C1CCCC1 | 12954362 | ||
| CHEMBL183 | 1460 | 86 | None | -1905 | 14 | Rat | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 304 | 5 | 1 | 5 | 2.4 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C1CCCC1 | 12014951 | ||
| CHEMBL183 | 1460 | 86 | None | -1905 | 14 | Rat | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 304 | 5 | 1 | 5 | 2.4 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C1CCCC1 | 12954362 | ||
| DB12946 | 1460 | 86 | None | -1905 | 14 | Rat | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 304 | 5 | 1 | 5 | 2.4 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C1CCCC1 | 12014951 | ||
| DB12946 | 1460 | 86 | None | -1905 | 14 | Rat | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 304 | 5 | 1 | 5 | 2.4 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C1CCCC1 | 12954362 | ||
| 11689583 | 3192 | 29 | None | -1513 | 7 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 386 | 7 | 2 | 6 | 2.1 | OCCCn1c2[nH]c(nc2c(=O)n(c1=O)CCCC)C12CC3CC2CC(C1)C3 | 16458010 | ||
| 3285 | 3192 | 29 | None | -1513 | 7 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 386 | 7 | 2 | 6 | 2.1 | OCCCn1c2[nH]c(nc2c(=O)n(c1=O)CCCC)C12CC3CC2CC(C1)C3 | 16458010 | ||
| CHEMBL1316674 | 3192 | 29 | None | -1513 | 7 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 386 | 7 | 2 | 6 | 2.1 | OCCCn1c2[nH]c(nc2c(=O)n(c1=O)CCCC)C12CC3CC2CC(C1)C3 | 16458010 | ||
| 11224 | 579 | 35 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | Guide to Pharmacology | 433 | 4 | 1 | 7 | 2.1 | CCn1c(=O)c2c(C)c(sc2n(c1=O)CCC(F)(F)F)C(=O)N1CCC(CC1)O | 30576906 | ||
| 118016229 | 579 | 35 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | Guide to Pharmacology | 433 | 4 | 1 | 7 | 2.1 | CCn1c(=O)c2c(C)c(sc2n(c1=O)CCC(F)(F)F)C(=O)N1CCC(CC1)O | 30576906 | ||
| CHEMBL4522981 | 579 | 35 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | Guide to Pharmacology | 433 | 4 | 1 | 7 | 2.1 | CCn1c(=O)c2c(C)c(sc2n(c1=O)CCC(F)(F)F)C(=O)N1CCC(CC1)O | 30576906 | ||
| 2690 | 900 | 66 | None | -30 | 9 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 285 | 1 | 1 | 6 | 2.8 | Clc1ccc2c(c1)c1nc(nn1c(n2)N)c1ccco1 | 10624567 | ||
| 2690 | 900 | 66 | None | -30 | 9 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 285 | 1 | 1 | 6 | 2.8 | Clc1ccc2c(c1)c1nc(nn1c(n2)N)c1ccco1 | 11266650 | ||
| 2690 | 900 | 66 | None | -30 | 9 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 285 | 1 | 1 | 6 | 2.8 | Clc1ccc2c(c1)c1nc(nn1c(n2)N)c1ccco1 | 15194002 | ||
| 2690 | 900 | 66 | None | -30 | 9 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 285 | 1 | 1 | 6 | 2.8 | Clc1ccc2c(c1)c1nc(nn1c(n2)N)c1ccco1 | 19141710 | ||
| 2690 | 900 | 66 | None | -30 | 9 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 285 | 1 | 1 | 6 | 2.8 | Clc1ccc2c(c1)c1nc(nn1c(n2)N)c1ccco1 | 9459566 | ||
| 2690 | 900 | 66 | None | -30 | 9 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 285 | 1 | 1 | 6 | 2.8 | Clc1ccc2c(c1)c1nc(nn1c(n2)N)c1ccco1 | 9933143 | ||
| 384 | 900 | 66 | None | -30 | 9 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 285 | 1 | 1 | 6 | 2.8 | Clc1ccc2c(c1)c1nc(nn1c(n2)N)c1ccco1 | 10624567 | ||
| 384 | 900 | 66 | None | -30 | 9 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 285 | 1 | 1 | 6 | 2.8 | Clc1ccc2c(c1)c1nc(nn1c(n2)N)c1ccco1 | 11266650 | ||
| 384 | 900 | 66 | None | -30 | 9 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 285 | 1 | 1 | 6 | 2.8 | Clc1ccc2c(c1)c1nc(nn1c(n2)N)c1ccco1 | 15194002 | ||
| 384 | 900 | 66 | None | -30 | 9 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 285 | 1 | 1 | 6 | 2.8 | Clc1ccc2c(c1)c1nc(nn1c(n2)N)c1ccco1 | 19141710 | ||
| 384 | 900 | 66 | None | -30 | 9 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 285 | 1 | 1 | 6 | 2.8 | Clc1ccc2c(c1)c1nc(nn1c(n2)N)c1ccco1 | 9459566 | ||
| 384 | 900 | 66 | None | -30 | 9 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 285 | 1 | 1 | 6 | 2.8 | Clc1ccc2c(c1)c1nc(nn1c(n2)N)c1ccco1 | 9933143 | ||
| CHEMBL16687 | 900 | 66 | None | -30 | 9 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 285 | 1 | 1 | 6 | 2.8 | Clc1ccc2c(c1)c1nc(nn1c(n2)N)c1ccco1 | 10624567 | ||
| CHEMBL16687 | 900 | 66 | None | -30 | 9 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 285 | 1 | 1 | 6 | 2.8 | Clc1ccc2c(c1)c1nc(nn1c(n2)N)c1ccco1 | 11266650 | ||
| CHEMBL16687 | 900 | 66 | None | -30 | 9 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 285 | 1 | 1 | 6 | 2.8 | Clc1ccc2c(c1)c1nc(nn1c(n2)N)c1ccco1 | 15194002 | ||
| CHEMBL16687 | 900 | 66 | None | -30 | 9 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 285 | 1 | 1 | 6 | 2.8 | Clc1ccc2c(c1)c1nc(nn1c(n2)N)c1ccco1 | 19141710 | ||
| CHEMBL16687 | 900 | 66 | None | -30 | 9 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 285 | 1 | 1 | 6 | 2.8 | Clc1ccc2c(c1)c1nc(nn1c(n2)N)c1ccco1 | 9459566 | ||
| CHEMBL16687 | 900 | 66 | None | -30 | 9 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 285 | 1 | 1 | 6 | 2.8 | Clc1ccc2c(c1)c1nc(nn1c(n2)N)c1ccco1 | 9933143 | ||
| 216466 | 3816 | 32 | None | -123 | 6 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 416 | 8 | 2 | 6 | 3.2 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C12CCC(CC1)(CC2)CCC(=O)O | 17125264 | ||
| 5605 | 3816 | 32 | None | -123 | 6 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 416 | 8 | 2 | 6 | 3.2 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C12CCC(CC1)(CC2)CCC(=O)O | 17125264 | ||
| CHEMBL386974 | 3816 | 32 | None | -123 | 6 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 416 | 8 | 2 | 6 | 3.2 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C12CCC(CC1)(CC2)CCC(=O)O | 17125264 | ||
| CHEMBL414157 | 3816 | 32 | None | -123 | 6 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 416 | 8 | 2 | 6 | 3.2 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C12CCC(CC1)(CC2)CCC(=O)O | 17125264 | ||
| DB12569 | 3816 | 32 | None | -123 | 6 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 416 | 8 | 2 | 6 | 3.2 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C12CCC(CC1)(CC2)CCC(=O)O | 17125264 | ||
| 1329 | 1460 | 86 | None | -870 | 14 | Mouse | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 304 | 5 | 1 | 5 | 2.4 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C1CCCC1 | 19141710 | ||
| 386 | 1460 | 86 | None | -870 | 14 | Mouse | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 304 | 5 | 1 | 5 | 2.4 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C1CCCC1 | 19141710 | ||
| CHEMBL183 | 1460 | 86 | None | -870 | 14 | Mouse | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 304 | 5 | 1 | 5 | 2.4 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C1CCCC1 | 19141710 | ||
| DB12946 | 1460 | 86 | None | -870 | 14 | Mouse | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 304 | 5 | 1 | 5 | 2.4 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C1CCCC1 | 19141710 | ||
| 1329 | 1460 | 86 | None | -1288 | 14 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 304 | 5 | 1 | 5 | 2.4 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C1CCCC1 | 12014951 | ||
| 1329 | 1460 | 86 | None | -1288 | 14 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 304 | 5 | 1 | 5 | 2.4 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C1CCCC1 | 15194002 | ||
| 1329 | 1460 | 86 | None | -1288 | 14 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 304 | 5 | 1 | 5 | 2.4 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C1CCCC1 | 16020631 | ||
| 1329 | 1460 | 86 | None | -1288 | 14 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 304 | 5 | 1 | 5 | 2.4 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C1CCCC1 | 16902942 | ||
| 386 | 1460 | 86 | None | -1288 | 14 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 304 | 5 | 1 | 5 | 2.4 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C1CCCC1 | 12014951 | ||
| 386 | 1460 | 86 | None | -1288 | 14 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 304 | 5 | 1 | 5 | 2.4 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C1CCCC1 | 15194002 | ||
| 386 | 1460 | 86 | None | -1288 | 14 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 304 | 5 | 1 | 5 | 2.4 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C1CCCC1 | 16020631 | ||
| 386 | 1460 | 86 | None | -1288 | 14 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 304 | 5 | 1 | 5 | 2.4 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C1CCCC1 | 16902942 | ||
| CHEMBL183 | 1460 | 86 | None | -1288 | 14 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 304 | 5 | 1 | 5 | 2.4 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C1CCCC1 | 12014951 | ||
| CHEMBL183 | 1460 | 86 | None | -1288 | 14 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 304 | 5 | 1 | 5 | 2.4 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C1CCCC1 | 15194002 | ||
| CHEMBL183 | 1460 | 86 | None | -1288 | 14 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 304 | 5 | 1 | 5 | 2.4 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C1CCCC1 | 16020631 | ||
| CHEMBL183 | 1460 | 86 | None | -1288 | 14 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 304 | 5 | 1 | 5 | 2.4 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C1CCCC1 | 16902942 | ||
| DB12946 | 1460 | 86 | None | -1288 | 14 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 304 | 5 | 1 | 5 | 2.4 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C1CCCC1 | 12014951 | ||
| DB12946 | 1460 | 86 | None | -1288 | 14 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 304 | 5 | 1 | 5 | 2.4 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C1CCCC1 | 15194002 | ||
| DB12946 | 1460 | 86 | None | -1288 | 14 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 304 | 5 | 1 | 5 | 2.4 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C1CCCC1 | 16020631 | ||
| DB12946 | 1460 | 86 | None | -1288 | 14 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 304 | 5 | 1 | 5 | 2.4 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C1CCCC1 | 16902942 | ||
| 21874557 | 3965 | 51 | None | -52 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 321 | 3 | 2 | 8 | 2.0 | Nc1nc(c2ccco2)c2c(n1)n(nn2)Cc1ccc(c(c1)C)N | 19072055 | ||
| 5612 | 3965 | 51 | None | -52 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 321 | 3 | 2 | 8 | 2.0 | Nc1nc(c2ccco2)c2c(n1)n(nn2)Cc1ccc(c(c1)C)N | 19072055 | ||
| CHEMBL447664 | 3965 | 51 | None | -52 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 321 | 3 | 2 | 8 | 2.0 | Nc1nc(c2ccco2)c2c(n1)n(nn2)Cc1ccc(c(c1)C)N | 19072055 | ||
| DB06625 | 3965 | 51 | None | -52 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 321 | 3 | 2 | 8 | 2.0 | Nc1nc(c2ccco2)c2c(n1)n(nn2)Cc1ccc(c(c1)C)N | 19072055 | ||
| 3286 | 3187 | 31 | None | 4 | 9 | Human | 7.3 | pKi | = | 7.3 | Binding | Guide to Pharmacology | 350 | 4 | 3 | 6 | 0.7 | CCCn1c(=O)[nH]c2c(c1=O)nc([nH]2)c1ccc(cc1)S(=O)(=O)O | 11906291 | ||
| 5311479 | 3187 | 31 | None | 4 | 9 | Human | 7.3 | pKi | = | 7.3 | Binding | Guide to Pharmacology | 350 | 4 | 3 | 6 | 0.7 | CCCn1c(=O)[nH]c2c(c1=O)nc([nH]2)c1ccc(cc1)S(=O)(=O)O | 11906291 | ||
| CHEMBL8565 | 3187 | 31 | None | 4 | 9 | Human | 7.3 | pKi | = | 7.3 | Binding | Guide to Pharmacology | 350 | 4 | 3 | 6 | 0.7 | CCCn1c(=O)[nH]c2c(c1=O)nc([nH]2)c1ccc(cc1)S(=O)(=O)O | 11906291 | ||
| 11270783 | 1215 | 35 | None | 67 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 446 | 6 | 1 | 7 | 3.2 | CCCn1c(=O)c2nc([nH]c2n(c1=O)CC)c1cnn(c1)Cc1cccc(c1)C(F)(F)F | 18321039 | ||
| 5615 | 1215 | 35 | None | 67 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 446 | 6 | 1 | 7 | 3.2 | CCCn1c(=O)c2nc([nH]c2n(c1=O)CC)c1cnn(c1)Cc1cccc(c1)C(F)(F)F | 18321039 | ||
| CHEMBL260933 | 1215 | 35 | None | 67 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 446 | 6 | 1 | 7 | 3.2 | CCCn1c(=O)c2nc([nH]c2n(c1=O)CC)c1cnn(c1)Cc1cccc(c1)C(F)(F)F | 18321039 | ||
| DB05936 | 1215 | 35 | None | 67 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 446 | 6 | 1 | 7 | 3.2 | CCCn1c(=O)c2nc([nH]c2n(c1=O)CC)c1cnn(c1)Cc1cccc(c1)C(F)(F)F | 18321039 | ||
| 11716665 | 2268 | 37 | None | 58 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 316 | 4 | 1 | 7 | 3.3 | n1ccc(nc1)c1cnc(nc1c1ccco1)Nc1cccnc1 | 17469811 | ||
| 11716665 | 2268 | 37 | None | 58 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 316 | 4 | 1 | 7 | 3.3 | n1ccc(nc1)c1cnc(nc1c1ccco1)Nc1cccnc1 | 20137946 | ||
| 5617 | 2268 | 37 | None | 58 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 316 | 4 | 1 | 7 | 3.3 | n1ccc(nc1)c1cnc(nc1c1ccco1)Nc1cccnc1 | 17469811 | ||
| 5617 | 2268 | 37 | None | 58 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 316 | 4 | 1 | 7 | 3.3 | n1ccc(nc1)c1cnc(nc1c1ccco1)Nc1cccnc1 | 20137946 | ||
| CHEMBL375293 | 2268 | 37 | None | 58 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 316 | 4 | 1 | 7 | 3.3 | n1ccc(nc1)c1cnc(nc1c1ccco1)Nc1cccnc1 | 17469811 | ||
| CHEMBL375293 | 2268 | 37 | None | 58 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 316 | 4 | 1 | 7 | 3.3 | n1ccc(nc1)c1cnc(nc1c1ccco1)Nc1cccnc1 | 20137946 | ||
| 449 | 2625 | 52 | None | -9 | 9 | Rat | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 486 | 9 | 2 | 8 | 3.3 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)C#N | 10737749 | ||
| 449 | 2625 | 52 | None | -9 | 9 | Rat | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 486 | 9 | 2 | 8 | 3.3 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)C#N | 12954362 | ||
| 453 | 2625 | 52 | None | -9 | 9 | Rat | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 486 | 9 | 2 | 8 | 3.3 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)C#N | 10737749 | ||
| 453 | 2625 | 52 | None | -9 | 9 | Rat | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 486 | 9 | 2 | 8 | 3.3 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)C#N | 12954362 | ||
| 6603931 | 2625 | 52 | None | -9 | 9 | Rat | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 486 | 9 | 2 | 8 | 3.3 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)C#N | 10737749 | ||
| 6603931 | 2625 | 52 | None | -9 | 9 | Rat | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 486 | 9 | 2 | 8 | 3.3 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)C#N | 12954362 | ||
| CHEMBL273807 | 2625 | 52 | None | -9 | 9 | Rat | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 486 | 9 | 2 | 8 | 3.3 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)C#N | 10737749 | ||
| CHEMBL273807 | 2625 | 52 | None | -9 | 9 | Rat | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 486 | 9 | 2 | 8 | 3.3 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)C#N | 12954362 | ||
| 404 | 4067 | 33 | None | -154 | 11 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 428 | 10 | 3 | 8 | 0.8 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)NCCN | 10496952 | ||
| 404 | 4067 | 33 | None | -154 | 11 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 428 | 10 | 3 | 8 | 0.8 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)NCCN | 10624567 | ||
| 404 | 4067 | 33 | None | -154 | 11 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 428 | 10 | 3 | 8 | 0.8 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)NCCN | 11093773 | ||
| 404 | 4067 | 33 | None | -154 | 11 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 428 | 10 | 3 | 8 | 0.8 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)NCCN | 11266650 | ||
| 404 | 4067 | 33 | None | -154 | 11 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 428 | 10 | 3 | 8 | 0.8 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)NCCN | 15194002 | ||
| 404 | 4067 | 33 | None | -154 | 11 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 428 | 10 | 3 | 8 | 0.8 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)NCCN | 9459566 | ||
| 432 | 4067 | 33 | None | -154 | 11 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 428 | 10 | 3 | 8 | 0.8 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)NCCN | 10496952 | ||
| 432 | 4067 | 33 | None | -154 | 11 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 428 | 10 | 3 | 8 | 0.8 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)NCCN | 10624567 | ||
| 432 | 4067 | 33 | None | -154 | 11 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 428 | 10 | 3 | 8 | 0.8 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)NCCN | 11093773 | ||
| 432 | 4067 | 33 | None | -154 | 11 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 428 | 10 | 3 | 8 | 0.8 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)NCCN | 11266650 | ||
| 432 | 4067 | 33 | None | -154 | 11 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 428 | 10 | 3 | 8 | 0.8 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)NCCN | 15194002 | ||
| 432 | 4067 | 33 | None | -154 | 11 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 428 | 10 | 3 | 8 | 0.8 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)NCCN | 9459566 | ||
| 5697 | 4067 | 33 | None | -154 | 11 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 428 | 10 | 3 | 8 | 0.8 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)NCCN | 10496952 | ||
| 5697 | 4067 | 33 | None | -154 | 11 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 428 | 10 | 3 | 8 | 0.8 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)NCCN | 10624567 | ||
| 5697 | 4067 | 33 | None | -154 | 11 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 428 | 10 | 3 | 8 | 0.8 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)NCCN | 11093773 | ||
| 5697 | 4067 | 33 | None | -154 | 11 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 428 | 10 | 3 | 8 | 0.8 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)NCCN | 11266650 | ||
| 5697 | 4067 | 33 | None | -154 | 11 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 428 | 10 | 3 | 8 | 0.8 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)NCCN | 15194002 | ||
| 5697 | 4067 | 33 | None | -154 | 11 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 428 | 10 | 3 | 8 | 0.8 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)NCCN | 9459566 | ||
| CHEMBL273094 | 4067 | 33 | None | -154 | 11 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 428 | 10 | 3 | 8 | 0.8 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)NCCN | 10496952 | ||
| CHEMBL273094 | 4067 | 33 | None | -154 | 11 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 428 | 10 | 3 | 8 | 0.8 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)NCCN | 10624567 | ||
| CHEMBL273094 | 4067 | 33 | None | -154 | 11 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 428 | 10 | 3 | 8 | 0.8 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)NCCN | 11093773 | ||
| CHEMBL273094 | 4067 | 33 | None | -154 | 11 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 428 | 10 | 3 | 8 | 0.8 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)NCCN | 11266650 | ||
| CHEMBL273094 | 4067 | 33 | None | -154 | 11 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 428 | 10 | 3 | 8 | 0.8 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)NCCN | 15194002 | ||
| CHEMBL273094 | 4067 | 33 | None | -154 | 11 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 428 | 10 | 3 | 8 | 0.8 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)NCCN | 9459566 | ||
| 2690 | 900 | 66 | None | -11 | 9 | Mouse | 8.0 | pKi | = | 8.0 | Binding | Guide to Pharmacology | 285 | 1 | 1 | 6 | 2.8 | Clc1ccc2c(c1)c1nc(nn1c(n2)N)c1ccco1 | 19141710 | ||
| 384 | 900 | 66 | None | -11 | 9 | Mouse | 8.0 | pKi | = | 8.0 | Binding | Guide to Pharmacology | 285 | 1 | 1 | 6 | 2.8 | Clc1ccc2c(c1)c1nc(nn1c(n2)N)c1ccco1 | 19141710 | ||
| CHEMBL16687 | 900 | 66 | None | -11 | 9 | Mouse | 8.0 | pKi | = | 8.0 | Binding | Guide to Pharmacology | 285 | 1 | 1 | 6 | 2.8 | Clc1ccc2c(c1)c1nc(nn1c(n2)N)c1ccco1 | 19141710 | ||
| 24780383 | 514 | 0 | None | -3 | 8 | Mouse | 8.1 | pKi | = | 8.1 | Binding | Guide to Pharmacology | 513 | 6 | 1 | 8 | 3.4 | CCCn1c2nc([nH]c2c(=O)n(c1=O)C1CC1)c1ccc(nc1)N(C(=O)c1ccc(nc1)C(F)(F)F)C | 10737749 | ||
| 5616 | 514 | 0 | None | -3 | 8 | Mouse | 8.1 | pKi | = | 8.1 | Binding | Guide to Pharmacology | 513 | 6 | 1 | 8 | 3.4 | CCCn1c2nc([nH]c2c(=O)n(c1=O)C1CC1)c1ccc(nc1)N(C(=O)c1ccc(nc1)C(F)(F)F)C | 10737749 | ||
| 11717831 | 582 | 48 | None | 60 | 5 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 379 | 7 | 2 | 7 | 2.4 | N#Cc1c(N)nc(c(c1c1ccc(cc1)OCC1CC1)C#N)SCC(=O)N | 17353435 | ||
| 3289 | 582 | 48 | None | 60 | 5 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 379 | 7 | 2 | 7 | 2.4 | N#Cc1c(N)nc(c(c1c1ccc(cc1)OCC1CC1)C#N)SCC(=O)N | 17353435 | ||
| CHEMBL4202825 | 582 | 48 | None | 60 | 5 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 379 | 7 | 2 | 7 | 2.4 | N#Cc1c(N)nc(c(c1c1ccc(cc1)OCC1CC1)C#N)SCC(=O)N | 17353435 | ||
| 135484064 | 2598 | 4 | None | 21 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 509 | 9 | 2 | 11 | 1.9 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1cc(nn1C)OCC(=O)Nc1ccc2c(c1)OCO2 | 14998332 | ||
| 135484064 | 2598 | 4 | None | 21 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 509 | 9 | 2 | 11 | 1.9 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1cc(nn1C)OCC(=O)Nc1ccc2c(c1)OCO2 | 16219300 | ||
| 390 | 2598 | 4 | None | 21 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 509 | 9 | 2 | 11 | 1.9 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1cc(nn1C)OCC(=O)Nc1ccc2c(c1)OCO2 | 14998332 | ||
| 390 | 2598 | 4 | None | 21 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 509 | 9 | 2 | 11 | 1.9 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1cc(nn1C)OCC(=O)Nc1ccc2c(c1)OCO2 | 16219300 | ||
| CHEMBL260331 | 2598 | 4 | None | 21 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 509 | 9 | 2 | 11 | 1.9 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1cc(nn1C)OCC(=O)Nc1ccc2c(c1)OCO2 | 14998332 | ||
| CHEMBL260331 | 2598 | 4 | None | 21 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 509 | 9 | 2 | 11 | 1.9 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1cc(nn1C)OCC(=O)Nc1ccc2c(c1)OCO2 | 16219300 | ||
| 11223 | 2064 | 24 | None | -1 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | 337 | 3 | 1 | 6 | 3.9 | CC(OC(=O)C1=C(C)Nc2n(C1c1ccco1)c1ccccc1n2)C | 26824742 | ||
| 17198004 | 2064 | 24 | None | -1 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | 337 | 3 | 1 | 6 | 3.9 | CC(OC(=O)C1=C(C)Nc2n(C1c1ccco1)c1ccccc1n2)C | 26824742 | ||
| CHEMBL3787197 | 2064 | 24 | None | -1 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | 337 | 3 | 1 | 6 | 3.9 | CC(OC(=O)C1=C(C)Nc2n(C1c1ccco1)c1ccccc1n2)C | 26824742 | ||
| 449 | 2625 | 52 | None | -2 | 9 | Mouse | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | 486 | 9 | 2 | 8 | 3.3 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)C#N | 19141710 | ||
| 453 | 2625 | 52 | None | -2 | 9 | Mouse | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | 486 | 9 | 2 | 8 | 3.3 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)C#N | 19141710 | ||
| 6603931 | 2625 | 52 | None | -2 | 9 | Mouse | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | 486 | 9 | 2 | 8 | 3.3 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)C#N | 19141710 | ||
| CHEMBL273807 | 2625 | 52 | None | -2 | 9 | Mouse | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | 486 | 9 | 2 | 8 | 3.3 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)C#N | 19141710 | ||
| 24780383 | 514 | 0 | None | 3 | 8 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | 513 | 6 | 1 | 8 | 3.4 | CCCn1c2nc([nH]c2c(=O)n(c1=O)C1CC1)c1ccc(nc1)N(C(=O)c1ccc(nc1)C(F)(F)F)C | 10737749 | ||
| 5616 | 514 | 0 | None | 3 | 8 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | 513 | 6 | 1 | 8 | 3.4 | CCCn1c2nc([nH]c2c(=O)n(c1=O)C1CC1)c1ccc(nc1)N(C(=O)c1ccc(nc1)C(F)(F)F)C | 10737749 | ||
| 449 | 2625 | 52 | None | -1 | 9 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 486 | 9 | 2 | 8 | 3.3 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)C#N | 10737749 | ||
| 449 | 2625 | 52 | None | -1 | 9 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 486 | 9 | 2 | 8 | 3.3 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)C#N | 11266650 | ||
| 453 | 2625 | 52 | None | -1 | 9 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 486 | 9 | 2 | 8 | 3.3 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)C#N | 10737749 | ||
| 453 | 2625 | 52 | None | -1 | 9 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 486 | 9 | 2 | 8 | 3.3 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)C#N | 11266650 | ||
| 6603931 | 2625 | 52 | None | -1 | 9 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 486 | 9 | 2 | 8 | 3.3 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)C#N | 10737749 | ||
| 6603931 | 2625 | 52 | None | -1 | 9 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 486 | 9 | 2 | 8 | 3.3 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)C#N | 11266650 | ||
| CHEMBL273807 | 2625 | 52 | None | -1 | 9 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 486 | 9 | 2 | 8 | 3.3 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)C#N | 10737749 | ||
| CHEMBL273807 | 2625 | 52 | None | -1 | 9 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 486 | 9 | 2 | 8 | 3.3 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)C#N | 11266650 | ||
| 3284 | 3194 | 35 | None | -1 | 7 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | 528 | 6 | 2 | 7 | 2.7 | CCCn1c(=O)[nH]c2c(c1=O)[nH]c(n2)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)Cl | 19569717 | ||
| 44185871 | 3194 | 35 | None | -1 | 7 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | 528 | 6 | 2 | 7 | 2.7 | CCCn1c(=O)[nH]c2c(c1=O)[nH]c(n2)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)Cl | 19569717 | ||
| 5728 | 3194 | 35 | None | -1 | 7 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | 528 | 6 | 2 | 7 | 2.7 | CCCn1c(=O)[nH]c2c(c1=O)[nH]c(n2)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)Cl | 19569717 | ||
| CHEMBL483688 | 3194 | 35 | None | -1 | 7 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | 528 | 6 | 2 | 7 | 2.7 | CCCn1c(=O)[nH]c2c(c1=O)[nH]c(n2)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)Cl | 19569717 | ||
| 44186581 | 3183 | 27 | None | 851 | 6 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | 542 | 7 | 2 | 7 | 2.7 | CCCn1c(=O)[nH]c2c(c1=O)[nH]c(n2)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)Cc1ccc(cc1)Cl | 19569717 | ||
| 6561 | 3183 | 27 | None | 851 | 6 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | 542 | 7 | 2 | 7 | 2.7 | CCCn1c(=O)[nH]c2c(c1=O)[nH]c(n2)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)Cc1ccc(cc1)Cl | 19569717 | ||
| CHEMBL482436 | 3183 | 27 | None | 851 | 6 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | 542 | 7 | 2 | 7 | 2.7 | CCCn1c(=O)[nH]c2c(c1=O)[nH]c(n2)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)Cc1ccc(cc1)Cl | 19569717 | ||
| 11561692 | 1856 | 14 | None | -239 | 4 | Human | 4.3 | pKi | > | 4.3 | Binding | Guide to Pharmacology | 461 | 6 | 4 | 10 | 1.7 | O[C@@H]1[C@H](O)[C@H](O[C@H]1n1cnc2c1ncnc2N[C@@H]1CCC[C@H]1O)CSc1ccccc1F | 19012505 | ||
| 5593 | 1856 | 14 | None | -239 | 4 | Human | 4.3 | pKi | > | 4.3 | Binding | Guide to Pharmacology | 461 | 6 | 4 | 10 | 1.7 | O[C@@H]1[C@H](O)[C@H](O[C@H]1n1cnc2c1ncnc2N[C@@H]1CCC[C@H]1O)CSc1ccccc1F | 19012505 | ||
| CHEMBL3545011 | 1856 | 14 | None | -239 | 4 | Human | 4.3 | pKi | > | 4.3 | Binding | Guide to Pharmacology | 461 | 6 | 4 | 10 | 1.7 | O[C@@H]1[C@H](O)[C@H](O[C@H]1n1cnc2c1ncnc2N[C@@H]1CCC[C@H]1O)CSc1ccccc1F | 19012505 | ||
| 10981286 | 1906 | 30 | None | -28183 | 4 | Human | 4.5 | pKi | > | 4.5 | Binding | Guide to Pharmacology | 361 | 5 | 4 | 9 | 0.0 | CCCCC#Cc1nc(NC)c2c(n1)n(cn2)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)CO | 12109910 | ||
| 10981286 | 1906 | 30 | None | -28183 | 4 | Human | 4.5 | pKi | > | 4.5 | Binding | Guide to Pharmacology | 361 | 5 | 4 | 9 | 0.0 | CCCCC#Cc1nc(NC)c2c(n1)n(cn2)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)CO | 17126322 | ||
| 5599 | 1906 | 30 | None | -28183 | 4 | Human | 4.5 | pKi | > | 4.5 | Binding | Guide to Pharmacology | 361 | 5 | 4 | 9 | 0.0 | CCCCC#Cc1nc(NC)c2c(n1)n(cn2)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)CO | 12109910 | ||
| 5599 | 1906 | 30 | None | -28183 | 4 | Human | 4.5 | pKi | > | 4.5 | Binding | Guide to Pharmacology | 361 | 5 | 4 | 9 | 0.0 | CCCCC#Cc1nc(NC)c2c(n1)n(cn2)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)CO | 17126322 | ||
| 5736 | 1906 | 30 | None | -28183 | 4 | Human | 4.5 | pKi | > | 4.5 | Binding | Guide to Pharmacology | 361 | 5 | 4 | 9 | 0.0 | CCCCC#Cc1nc(NC)c2c(n1)n(cn2)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)CO | 12109910 | ||
| 5736 | 1906 | 30 | None | -28183 | 4 | Human | 4.5 | pKi | > | 4.5 | Binding | Guide to Pharmacology | 361 | 5 | 4 | 9 | 0.0 | CCCCC#Cc1nc(NC)c2c(n1)n(cn2)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)CO | 17126322 | ||
| CHEMBL260563 | 1906 | 30 | None | -28183 | 4 | Human | 4.5 | pKi | > | 4.5 | Binding | Guide to Pharmacology | 361 | 5 | 4 | 9 | 0.0 | CCCCC#Cc1nc(NC)c2c(n1)n(cn2)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)CO | 12109910 | ||
| CHEMBL260563 | 1906 | 30 | None | -28183 | 4 | Human | 4.5 | pKi | > | 4.5 | Binding | Guide to Pharmacology | 361 | 5 | 4 | 9 | 0.0 | CCCCC#Cc1nc(NC)c2c(n1)n(cn2)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)CO | 17126322 | ||
| 3086599 | 901 | 45 | None | -575 | 8 | Rat | 5.0 | pKi | > | 5 | Binding | Guide to Pharmacology | 499 | 10 | 6 | 11 | -0.2 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(NCCc1ccc(cc1)CCC(=O)O)nc2N | None | ||
| 375 | 901 | 45 | None | -575 | 8 | Rat | 5.0 | pKi | > | 5 | Binding | Guide to Pharmacology | 499 | 10 | 6 | 11 | -0.2 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(NCCc1ccc(cc1)CCC(=O)O)nc2N | None | ||
| 424 | 901 | 45 | None | -575 | 8 | Rat | 5.0 | pKi | > | 5 | Binding | Guide to Pharmacology | 499 | 10 | 6 | 11 | -0.2 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(NCCc1ccc(cc1)CCC(=O)O)nc2N | None | ||
| CHEMBL331372 | 901 | 45 | None | -575 | 8 | Rat | 5.0 | pKi | > | 5 | Binding | Guide to Pharmacology | 499 | 10 | 6 | 11 | -0.2 | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(NCCc1ccc(cc1)CCC(=O)O)nc2N | None | ||
| 3035850 | 948 | 73 | None | -54954 | 14 | Human | 5.0 | pKi | > | 5 | Binding | Guide to Pharmacology | 544 | 5 | 4 | 9 | 1.1 | CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(Cl)nc2NCc1cccc(c1)I | None | ||
| 3035850 | 948 | 73 | None | -54954 | 14 | Mouse | 5.0 | pKi | > | 5 | Binding | Guide to Pharmacology | 544 | 5 | 4 | 9 | 1.1 | CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(Cl)nc2NCc1cccc(c1)I | None | ||
| 457 | 948 | 73 | None | -54954 | 14 | Human | 5.0 | pKi | > | 5 | Binding | Guide to Pharmacology | 544 | 5 | 4 | 9 | 1.1 | CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(Cl)nc2NCc1cccc(c1)I | None | ||
| 457 | 948 | 73 | None | -54954 | 14 | Mouse | 5.0 | pKi | > | 5 | Binding | Guide to Pharmacology | 544 | 5 | 4 | 9 | 1.1 | CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(Cl)nc2NCc1cccc(c1)I | None | ||
| CHEMBL431733 | 948 | 73 | None | -54954 | 14 | Human | 5.0 | pKi | > | 5 | Binding | Guide to Pharmacology | 544 | 5 | 4 | 9 | 1.1 | CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(Cl)nc2NCc1cccc(c1)I | None | ||
| CHEMBL431733 | 948 | 73 | None | -54954 | 14 | Mouse | 5.0 | pKi | > | 5 | Binding | Guide to Pharmacology | 544 | 5 | 4 | 9 | 1.1 | CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(Cl)nc2NCc1cccc(c1)I | None | ||
| DB12885 | 948 | 73 | None | -54954 | 14 | Human | 5.0 | pKi | > | 5 | Binding | Guide to Pharmacology | 544 | 5 | 4 | 9 | 1.1 | CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(Cl)nc2NCc1cccc(c1)I | None | ||
| DB12885 | 948 | 73 | None | -54954 | 14 | Mouse | 5.0 | pKi | > | 5 | Binding | Guide to Pharmacology | 544 | 5 | 4 | 9 | 1.1 | CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(Cl)nc2NCc1cccc(c1)I | None | ||
| 4882 | 2086 | 82 | None | -104 | 6 | Human | 5.0 | pKi | > | 5 | Binding | Guide to Pharmacology | 384 | 6 | 0 | 8 | 2.1 | COc1cc(/C=C/c2nc3c(n2C)c(=O)n(c(=O)n3CC)CC)ccc1OC | 21303899 | ||
| 5311037 | 2086 | 82 | None | -104 | 6 | Human | 5.0 | pKi | > | 5 | Binding | Guide to Pharmacology | 384 | 6 | 0 | 8 | 2.1 | COc1cc(/C=C/c2nc3c(n2C)c(=O)n(c(=O)n3CC)CC)ccc1OC | 21303899 | ||
| 5608 | 2086 | 82 | None | -104 | 6 | Human | 5.0 | pKi | > | 5 | Binding | Guide to Pharmacology | 384 | 6 | 0 | 8 | 2.1 | COc1cc(/C=C/c2nc3c(n2C)c(=O)n(c(=O)n3CC)CC)ccc1OC | 21303899 | ||
| CHEMBL431770 | 2086 | 82 | None | -104 | 6 | Human | 5.0 | pKi | > | 5 | Binding | Guide to Pharmacology | 384 | 6 | 0 | 8 | 2.1 | COc1cc(/C=C/c2nc3c(n2C)c(=O)n(c(=O)n3CC)CC)ccc1OC | 21303899 | ||
| DB11757 | 2086 | 82 | None | -104 | 6 | Human | 5.0 | pKi | > | 5 | Binding | Guide to Pharmacology | 384 | 6 | 0 | 8 | 2.1 | COc1cc(/C=C/c2nc3c(n2C)c(=O)n(c(=O)n3CC)CC)ccc1OC | 21303899 | ||
| 393594 | 2618 | 42 | None | -354 | 7 | Human | 5.0 | pKi | > | 5 | Binding | Guide to Pharmacology | 477 | 6 | 1 | 5 | 5.2 | CCOC(=O)C1=C(C)NC(=C(C1C#Cc1ccccc1)C(=O)OCc1ccccc1)c1ccccc1 | None | ||
| 470 | 2618 | 42 | None | -354 | 7 | Human | 5.0 | pKi | > | 5 | Binding | Guide to Pharmacology | 477 | 6 | 1 | 5 | 5.2 | CCOC(=O)C1=C(C)NC(=C(C1C#Cc1ccccc1)C(=O)OCc1ccccc1)c1ccccc1 | None | ||
| CHEMBL1995014 | 2618 | 42 | None | -354 | 7 | Human | 5.0 | pKi | > | 5 | Binding | Guide to Pharmacology | 477 | 6 | 1 | 5 | 5.2 | CCOC(=O)C1=C(C)NC(=C(C1C#Cc1ccccc1)C(=O)OCc1ccccc1)c1ccccc1 | None | ||
| CHEMBL89852 | 2618 | 42 | None | -354 | 7 | Human | 5.0 | pKi | > | 5 | Binding | Guide to Pharmacology | 477 | 6 | 1 | 5 | 5.2 | CCOC(=O)C1=C(C)NC(=C(C1C#Cc1ccccc1)C(=O)OCc1ccccc1)c1ccccc1 | None | ||
| 3661570 | 2623 | 53 | None | -102 | 9 | Human | 5.0 | pKi | > | 5 | Binding | Guide to Pharmacology | 399 | 9 | 0 | 5 | 5.7 | CCCOC(=O)c1c(CCC)c(C(=O)SCC)c(nc1c1ccccc1)CC | None | ||
| 3661570 | 2623 | 53 | None | -102 | 9 | Mouse | 5.0 | pKi | > | 5 | Binding | Guide to Pharmacology | 399 | 9 | 0 | 5 | 5.7 | CCCOC(=O)c1c(CCC)c(C(=O)SCC)c(nc1c1ccccc1)CC | None | ||
| 474 | 2623 | 53 | None | -102 | 9 | Human | 5.0 | pKi | > | 5 | Binding | Guide to Pharmacology | 399 | 9 | 0 | 5 | 5.7 | CCCOC(=O)c1c(CCC)c(C(=O)SCC)c(nc1c1ccccc1)CC | None | ||
| 474 | 2623 | 53 | None | -102 | 9 | Mouse | 5.0 | pKi | > | 5 | Binding | Guide to Pharmacology | 399 | 9 | 0 | 5 | 5.7 | CCCOC(=O)c1c(CCC)c(C(=O)SCC)c(nc1c1ccccc1)CC | None | ||
| CHEMBL111545 | 2623 | 53 | None | -102 | 9 | Human | 5.0 | pKi | > | 5 | Binding | Guide to Pharmacology | 399 | 9 | 0 | 5 | 5.7 | CCCOC(=O)c1c(CCC)c(C(=O)SCC)c(nc1c1ccccc1)CC | None | ||
| CHEMBL111545 | 2623 | 53 | None | -102 | 9 | Mouse | 5.0 | pKi | > | 5 | Binding | Guide to Pharmacology | 399 | 9 | 0 | 5 | 5.7 | CCCOC(=O)c1c(CCC)c(C(=O)SCC)c(nc1c1ccccc1)CC | None | ||
| 11248240 | 2646 | 4 | None | -34673 | 10 | Human | 5.0 | pKi | > | 5 | Binding | Guide to Pharmacology | 462 | 5 | 4 | 8 | 1.8 | CNC(=O)[C@]12C[C@@H]2[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(Cl)nc2NCc1cccc(c1)Cl | 16518376 | ||
| 5601 | 2646 | 4 | None | -34673 | 10 | Human | 5.0 | pKi | > | 5 | Binding | Guide to Pharmacology | 462 | 5 | 4 | 8 | 1.8 | CNC(=O)[C@]12C[C@@H]2[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(Cl)nc2NCc1cccc(c1)Cl | 16518376 | ||
| CHEMBL175543 | 2646 | 4 | None | -34673 | 10 | Human | 5.0 | pKi | > | 5 | Binding | Guide to Pharmacology | 462 | 5 | 4 | 8 | 1.8 | CNC(=O)[C@]12C[C@@H]2[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(Cl)nc2NCc1cccc(c1)Cl | 16518376 | ||
| 219024 | 3275 | 65 | None | -229 | 5 | Human | 5.0 | pKi | > | 5 | Binding | Guide to Pharmacology | 390 | 4 | 5 | 12 | -2.4 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(nc2N)n1ncc(c1)C(=O)NC | 16518376 | ||
| 2362 | 3275 | 65 | None | -229 | 5 | Human | 5.0 | pKi | > | 5 | Binding | Guide to Pharmacology | 390 | 4 | 5 | 12 | -2.4 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(nc2N)n1ncc(c1)C(=O)NC | 16518376 | ||
| 5596 | 3275 | 65 | None | -229 | 5 | Human | 5.0 | pKi | > | 5 | Binding | Guide to Pharmacology | 390 | 4 | 5 | 12 | -2.4 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(nc2N)n1ncc(c1)C(=O)NC | 16518376 | ||
| CHEMBL317052 | 3275 | 65 | None | -229 | 5 | Human | 5.0 | pKi | > | 5 | Binding | Guide to Pharmacology | 390 | 4 | 5 | 12 | -2.4 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(nc2N)n1ncc(c1)C(=O)NC | 16518376 | ||
| DB06213 | 3275 | 65 | None | -229 | 5 | Human | 5.0 | pKi | > | 5 | Binding | Guide to Pharmacology | 390 | 4 | 5 | 12 | -2.4 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(nc2N)n1ncc(c1)C(=O)NC | 16518376 | ||
| 10668061 | 3527 | 70 | None | -64565 | 6 | Human | 5.0 | pKi | > | 5 | Binding | Guide to Pharmacology | 389 | 6 | 1 | 9 | 3.0 | COc1ccc(cc1)CCCn1ncc2c1nc(N)n1c2nc(n1)c1ccco1 | 16518376 | ||
| 3283 | 3527 | 70 | None | -64565 | 6 | Human | 5.0 | pKi | > | 5 | Binding | Guide to Pharmacology | 389 | 6 | 1 | 9 | 3.0 | COc1ccc(cc1)CCCn1ncc2c1nc(N)n1c2nc(n1)c1ccco1 | 16518376 | ||
| CHEMBL136689 | 3527 | 70 | None | -64565 | 6 | Human | 5.0 | pKi | > | 5 | Binding | Guide to Pharmacology | 389 | 6 | 1 | 9 | 3.0 | COc1ccc(cc1)CCCn1ncc2c1nc(N)n1c2nc(n1)c1ccco1 | 16518376 | ||
| 135546224 | 3736 | 0 | None | -3548 | 4 | Human | 5.0 | pKi | > | 5 | Binding | Guide to Pharmacology | 497 | 7 | 6 | 11 | 1.8 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(N/N=N/C(=O)Nc1ccccc1)nc2NC1CCCC1 | 9384502 | ||
| 136218973 | 3736 | 0 | None | -3548 | 4 | Human | 5.0 | pKi | > | 5 | Binding | Guide to Pharmacology | 497 | 7 | 6 | 11 | 1.8 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(N/N=N/C(=O)Nc1ccccc1)nc2NC1CCCC1 | 9384502 | ||
| 5590 | 3736 | 0 | None | -3548 | 4 | Human | 5.0 | pKi | > | 5 | Binding | Guide to Pharmacology | 497 | 7 | 6 | 11 | 1.8 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(N/N=N/C(=O)Nc1ccccc1)nc2NC1CCCC1 | 9384502 | ||
| CHEMBL2113457 | 3736 | 0 | None | -3548 | 4 | Human | 5.0 | pKi | > | 5 | Binding | Guide to Pharmacology | 497 | 7 | 6 | 11 | 1.8 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(N/N=N/C(=O)Nc1ccccc1)nc2NC1CCCC1 | 9384502 | ||
| 10117987 | 3142 | 84 | None | -1047 | 6 | Human | 6.0 | pKi | > | 6 | Binding | Guide to Pharmacology | 503 | 9 | 1 | 12 | 2.2 | COCCOc1ccc(cc1)N1CCN(CC1)CCn1ncc2c1nc(N)n1c2nc(n1)c1ccco1 | 18221214 | ||
| 5614 | 3142 | 84 | None | -1047 | 6 | Human | 6.0 | pKi | > | 6 | Binding | Guide to Pharmacology | 503 | 9 | 1 | 12 | 2.2 | COCCOc1ccc(cc1)N1CCN(CC1)CCn1ncc2c1nc(N)n1c2nc(n1)c1ccco1 | 18221214 | ||
| CHEMBL240624 | 3142 | 84 | None | -1047 | 6 | Human | 6.0 | pKi | > | 6 | Binding | Guide to Pharmacology | 503 | 9 | 1 | 12 | 2.2 | COCCOc1ccc(cc1)N1CCN(CC1)CCn1ncc2c1nc(N)n1c2nc(n1)c1ccco1 | 18221214 | ||
| DB11864 | 3142 | 84 | None | -1047 | 6 | Human | 6.0 | pKi | > | 6 | Binding | Guide to Pharmacology | 503 | 9 | 1 | 12 | 2.2 | COCCOc1ccc(cc1)N1CCN(CC1)CCn1ncc2c1nc(N)n1c2nc(n1)c1ccco1 | 18221214 | ||
| 16109435 | 2364 | 10 | None | -338 | 4 | Human | 6.5 | pKi | > | 6.5 | Binding | Guide to Pharmacology | 353 | 3 | 1 | 2 | 6.3 | C1CCC(CC1)c1nc2c([nH]1)nc(cc2c1ccccc1)c1ccccc1 | 14663020 | ||
| 5607 | 2364 | 10 | None | -338 | 4 | Human | 6.5 | pKi | > | 6.5 | Binding | Guide to Pharmacology | 353 | 3 | 1 | 2 | 6.3 | C1CCC(CC1)c1nc2c([nH]1)nc(cc2c1ccccc1)c1ccccc1 | 14663020 | ||
| CHEMBL219160 | 2364 | 10 | None | -338 | 4 | Human | 6.5 | pKi | > | 6.5 | Binding | Guide to Pharmacology | 353 | 3 | 1 | 2 | 6.3 | C1CCC(CC1)c1nc2c([nH]1)nc(cc2c1ccccc1)c1ccccc1 | 14663020 | ||
| 415 | 3624 | 12 | None | -1905 | 9 | Human | 4.7 | pKi | None | 4.7 | Binding | Guide to Pharmacology | 385 | 6 | 4 | 9 | 0.5 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N[C@H](Cc1ccccc1)C | 10496952 | ||
| 415 | 3624 | 12 | None | -1905 | 9 | Human | 4.7 | pKi | None | 4.7 | Binding | Guide to Pharmacology | 385 | 6 | 4 | 9 | 0.5 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N[C@H](Cc1ccccc1)C | 16219300 | ||
| 5312112 | 3624 | 12 | None | -1905 | 9 | Human | 4.7 | pKi | None | 4.7 | Binding | Guide to Pharmacology | 385 | 6 | 4 | 9 | 0.5 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N[C@H](Cc1ccccc1)C | 10496952 | ||
| 5312112 | 3624 | 12 | None | -1905 | 9 | Human | 4.7 | pKi | None | 4.7 | Binding | Guide to Pharmacology | 385 | 6 | 4 | 9 | 0.5 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N[C@H](Cc1ccccc1)C | 16219300 | ||
| CHEMBL420705 | 3624 | 12 | None | -1905 | 9 | Human | 4.7 | pKi | None | 4.7 | Binding | Guide to Pharmacology | 385 | 6 | 4 | 9 | 0.5 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N[C@H](Cc1ccccc1)C | 10496952 | ||
| CHEMBL420705 | 3624 | 12 | None | -1905 | 9 | Human | 4.7 | pKi | None | 4.7 | Binding | Guide to Pharmacology | 385 | 6 | 4 | 9 | 0.5 | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N[C@H](Cc1ccccc1)C | 16219300 | ||
| 434 | 223 | 0 | None | - | 1 | Human | 4.7 | pKi | None | 4.7 | Binding | Guide to Pharmacology | 457 | 6 | 6 | 11 | -0.7 | CCNC(=O)C(=O)Nc1nc(Nc2ccccc2)c2c(n1)n(cn2)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)CO | 10496952 | ||
| 57340157 | 223 | 0 | None | - | 1 | Human | 4.7 | pKi | None | 4.7 | Binding | Guide to Pharmacology | 457 | 6 | 6 | 11 | -0.7 | CCNC(=O)C(=O)Nc1nc(Nc2ccccc2)c2c(n1)n(cn2)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)CO | 10496952 | ||
| 456 | 348 | 59 | None | 15 | 3 | Human | 6.0 | pKi | None | 6 | Binding | Guide to Pharmacology | 214 | 0 | 2 | 4 | 0.2 | O=c1[nH]c2nc3ccccc3nc2c(=O)[nH]1 | 10624567 | ||
| 456 | 348 | 59 | None | 15 | 3 | Human | 6.0 | pKi | None | 6 | Binding | Guide to Pharmacology | 214 | 0 | 2 | 4 | 0.2 | O=c1[nH]c2nc3ccccc3nc2c(=O)[nH]1 | 11266650 | ||
| 5372720 | 348 | 59 | None | 15 | 3 | Human | 6.0 | pKi | None | 6 | Binding | Guide to Pharmacology | 214 | 0 | 2 | 4 | 0.2 | O=c1[nH]c2nc3ccccc3nc2c(=O)[nH]1 | 10624567 | ||
| 5372720 | 348 | 59 | None | 15 | 3 | Human | 6.0 | pKi | None | 6 | Binding | Guide to Pharmacology | 214 | 0 | 2 | 4 | 0.2 | O=c1[nH]c2nc3ccccc3nc2c(=O)[nH]1 | 11266650 | ||
| CHEMBL68500 | 348 | 59 | None | 15 | 3 | Human | 6.0 | pKi | None | 6 | Binding | Guide to Pharmacology | 214 | 0 | 2 | 4 | 0.2 | O=c1[nH]c2nc3ccccc3nc2c(=O)[nH]1 | 10624567 | ||
| CHEMBL68500 | 348 | 59 | None | 15 | 3 | Human | 6.0 | pKi | None | 6 | Binding | Guide to Pharmacology | 214 | 0 | 2 | 4 | 0.2 | O=c1[nH]c2nc3ccccc3nc2c(=O)[nH]1 | 11266650 | ||
| 10221256 | 104 | 0 | None | - | 1 | Human | 6.3 | pKi | None | 6.3 | Binding | Guide to Pharmacology | 277 | 3 | 2 | 5 | 0.7 | CC(Cn1c(=O)[nH]c(=O)c2c1nc([nH]2)N1CCCC1)C | 11705449 | ||
| 447 | 104 | 0 | None | - | 1 | Human | 6.3 | pKi | None | 6.3 | Binding | Guide to Pharmacology | 277 | 3 | 2 | 5 | 0.7 | CC(Cn1c(=O)[nH]c(=O)c2c1nc([nH]2)N1CCCC1)C | 11705449 | ||
| 444 | 1321 | 0 | None | - | 1 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | 314 | 5 | 1 | 5 | 2.3 | C=CCn1c2nc([nH]c2c(=O)n(c1=O)CC=C)C1CCCCC1 | 11266650 | ||
| 9926882 | 1321 | 0 | None | - | 1 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | 314 | 5 | 1 | 5 | 2.3 | C=CCn1c2nc([nH]c2c(=O)n(c1=O)CC=C)C1CCCCC1 | 11266650 | ||
| 393595 | 2619 | 51 | None | -97 | 6 | Human | 6.5 | pKi | None | 6.5 | Binding | Guide to Pharmacology | 403 | 4 | 1 | 6 | 4.4 | O=C(Nc1nc2ccc(cc2c2n1nc(n2)c1ccco1)Cl)Cc1ccccc1 | 15194002 | ||
| 448 | 2619 | 51 | None | -97 | 6 | Human | 6.5 | pKi | None | 6.5 | Binding | Guide to Pharmacology | 403 | 4 | 1 | 6 | 4.4 | O=C(Nc1nc2ccc(cc2c2n1nc(n2)c1ccco1)Cl)Cc1ccccc1 | 15194002 | ||
| CHEMBL88147 | 2619 | 51 | None | -97 | 6 | Human | 6.5 | pKi | None | 6.5 | Binding | Guide to Pharmacology | 403 | 4 | 1 | 6 | 4.4 | O=C(Nc1nc2ccc(cc2c2n1nc(n2)c1ccco1)Cl)Cc1ccccc1 | 15194002 | ||
| 164437 | 64 | 24 | None | -114 | 7 | Human | 6.6 | pKi | None | 6.6 | Binding | Guide to Pharmacology | 388 | 5 | 4 | 9 | -0.3 | CCCCC#Cc1nc(N)c2c(n1)n(cn2)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)C(=O)NCC | 16219300 | ||
| 373 | 64 | 24 | None | -114 | 7 | Human | 6.6 | pKi | None | 6.6 | Binding | Guide to Pharmacology | 388 | 5 | 4 | 9 | -0.3 | CCCCC#Cc1nc(N)c2c(n1)n(cn2)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)C(=O)NCC | 16219300 | ||
| CHEMBL410873 | 64 | 24 | None | -114 | 7 | Human | 6.6 | pKi | None | 6.6 | Binding | Guide to Pharmacology | 388 | 5 | 4 | 9 | -0.3 | CCCCC#Cc1nc(N)c2c(n1)n(cn2)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)C(=O)NCC | 16219300 | ||
| 443 | 752 | 10 | None | -3 | 7 | Human | 7.3 | pKi | None | 7.3 | Binding | Guide to Pharmacology | 382 | 7 | 2 | 6 | 2.5 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)/C=C/C(=O)O | 10496952 | ||
| 6439089 | 752 | 10 | None | -3 | 7 | Human | 7.3 | pKi | None | 7.3 | Binding | Guide to Pharmacology | 382 | 7 | 2 | 6 | 2.5 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)/C=C/C(=O)O | 10496952 | ||
| CHEMBL16997 | 752 | 10 | None | -3 | 7 | Human | 7.3 | pKi | None | 7.3 | Binding | Guide to Pharmacology | 382 | 7 | 2 | 6 | 2.5 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)/C=C/C(=O)O | 10496952 | ||
| 169317 | 1192 | 38 | None | -44 | 9 | Human | 7.3 | pKi | None | 7.3 | Binding | Guide to Pharmacology | 236 | 4 | 1 | 5 | 0.7 | CCCn1c(=O)n(CCC)c2c(c1=O)[nH]cn2 | 10496952 | ||
| 169317 | 1192 | 38 | None | -44 | 9 | Human | 7.3 | pKi | None | 7.3 | Binding | Guide to Pharmacology | 236 | 4 | 1 | 5 | 0.7 | CCCn1c(=O)n(CCC)c2c(c1=O)[nH]cn2 | 11266650 | ||
| 427 | 1192 | 38 | None | -44 | 9 | Human | 7.3 | pKi | None | 7.3 | Binding | Guide to Pharmacology | 236 | 4 | 1 | 5 | 0.7 | CCCn1c(=O)n(CCC)c2c(c1=O)[nH]cn2 | 10496952 | ||
| 427 | 1192 | 38 | None | -44 | 9 | Human | 7.3 | pKi | None | 7.3 | Binding | Guide to Pharmacology | 236 | 4 | 1 | 5 | 0.7 | CCCn1c(=O)n(CCC)c2c(c1=O)[nH]cn2 | 11266650 | ||
| CHEMBL157655 | 1192 | 38 | None | -44 | 9 | Human | 7.3 | pKi | None | 7.3 | Binding | Guide to Pharmacology | 236 | 4 | 1 | 5 | 0.7 | CCCn1c(=O)n(CCC)c2c(c1=O)[nH]cn2 | 10496952 | ||
| CHEMBL157655 | 1192 | 38 | None | -44 | 9 | Human | 7.3 | pKi | None | 7.3 | Binding | Guide to Pharmacology | 236 | 4 | 1 | 5 | 0.7 | CCCn1c(=O)n(CCC)c2c(c1=O)[nH]cn2 | 11266650 | ||
| 126079 | 4069 | 31 | None | -2 | 8 | Human | 7.3 | pKi | None | 7.3 | Binding | Guide to Pharmacology | 386 | 8 | 2 | 7 | 1.8 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)O | 11266650 | ||
| 451 | 4069 | 31 | None | -2 | 8 | Human | 7.3 | pKi | None | 7.3 | Binding | Guide to Pharmacology | 386 | 8 | 2 | 7 | 1.8 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)O | 11266650 | ||
| CHEMBL27041 | 4069 | 31 | None | -2 | 8 | Human | 7.3 | pKi | None | 7.3 | Binding | Guide to Pharmacology | 386 | 8 | 2 | 7 | 1.8 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)O | 11266650 | ||
| 163889 | 1951 | 17 | None | -6 | 8 | Human | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | 575 | 8 | 3 | 8 | 2.7 | CCCn1c(=O)c2[nH]c(nc2n(c1=O)Cc1ccc(c(c1)I)N)c1ccc(cc1)OCC(=O)O | 10496952 | ||
| 446 | 1951 | 17 | None | -6 | 8 | Human | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | 575 | 8 | 3 | 8 | 2.7 | CCCn1c(=O)c2[nH]c(nc2n(c1=O)Cc1ccc(c(c1)I)N)c1ccc(cc1)OCC(=O)O | 10496952 | ||
| CHEMBL355370 | 1951 | 17 | None | -6 | 8 | Human | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | 575 | 8 | 3 | 8 | 2.7 | CCCn1c(=O)c2[nH]c(nc2n(c1=O)Cc1ccc(c(c1)I)N)c1ccc(cc1)OCC(=O)O | 10496952 | ||
| 176407 | 4117 | 84 | None | -34 | 6 | Human | 7.5 | pKi | None | 7.5 | Binding | Guide to Pharmacology | 337 | 5 | 3 | 9 | 1.7 | Oc1ccc(cc1)CCNc1nc(N)n2c(n1)nc(n2)c1ccco1 | 10496952 | ||
| 176407 | 4117 | 84 | None | -34 | 6 | Human | 7.5 | pKi | None | 7.5 | Binding | Guide to Pharmacology | 337 | 5 | 3 | 9 | 1.7 | Oc1ccc(cc1)CCNc1nc(N)n2c(n1)nc(n2)c1ccco1 | 11093773 | ||
| 176407 | 4117 | 84 | None | -34 | 6 | Human | 7.5 | pKi | None | 7.5 | Binding | Guide to Pharmacology | 337 | 5 | 3 | 9 | 1.7 | Oc1ccc(cc1)CCNc1nc(N)n2c(n1)nc(n2)c1ccco1 | 11266650 | ||
| 176407 | 4117 | 84 | None | -34 | 6 | Human | 7.5 | pKi | None | 7.5 | Binding | Guide to Pharmacology | 337 | 5 | 3 | 9 | 1.7 | Oc1ccc(cc1)CCNc1nc(N)n2c(n1)nc(n2)c1ccco1 | 15194002 | ||
| 405 | 4117 | 84 | None | -34 | 6 | Human | 7.5 | pKi | None | 7.5 | Binding | Guide to Pharmacology | 337 | 5 | 3 | 9 | 1.7 | Oc1ccc(cc1)CCNc1nc(N)n2c(n1)nc(n2)c1ccco1 | 10496952 | ||
| 405 | 4117 | 84 | None | -34 | 6 | Human | 7.5 | pKi | None | 7.5 | Binding | Guide to Pharmacology | 337 | 5 | 3 | 9 | 1.7 | Oc1ccc(cc1)CCNc1nc(N)n2c(n1)nc(n2)c1ccco1 | 11093773 | ||
| 405 | 4117 | 84 | None | -34 | 6 | Human | 7.5 | pKi | None | 7.5 | Binding | Guide to Pharmacology | 337 | 5 | 3 | 9 | 1.7 | Oc1ccc(cc1)CCNc1nc(N)n2c(n1)nc(n2)c1ccco1 | 11266650 | ||
| 405 | 4117 | 84 | None | -34 | 6 | Human | 7.5 | pKi | None | 7.5 | Binding | Guide to Pharmacology | 337 | 5 | 3 | 9 | 1.7 | Oc1ccc(cc1)CCNc1nc(N)n2c(n1)nc(n2)c1ccco1 | 15194002 | ||
| CHEMBL113142 | 4117 | 84 | None | -34 | 6 | Human | 7.5 | pKi | None | 7.5 | Binding | Guide to Pharmacology | 337 | 5 | 3 | 9 | 1.7 | Oc1ccc(cc1)CCNc1nc(N)n2c(n1)nc(n2)c1ccco1 | 10496952 | ||
| CHEMBL113142 | 4117 | 84 | None | -34 | 6 | Human | 7.5 | pKi | None | 7.5 | Binding | Guide to Pharmacology | 337 | 5 | 3 | 9 | 1.7 | Oc1ccc(cc1)CCNc1nc(N)n2c(n1)nc(n2)c1ccco1 | 11093773 | ||
| CHEMBL113142 | 4117 | 84 | None | -34 | 6 | Human | 7.5 | pKi | None | 7.5 | Binding | Guide to Pharmacology | 337 | 5 | 3 | 9 | 1.7 | Oc1ccc(cc1)CCNc1nc(N)n2c(n1)nc(n2)c1ccco1 | 11266650 | ||
| CHEMBL113142 | 4117 | 84 | None | -34 | 6 | Human | 7.5 | pKi | None | 7.5 | Binding | Guide to Pharmacology | 337 | 5 | 3 | 9 | 1.7 | Oc1ccc(cc1)CCNc1nc(N)n2c(n1)nc(n2)c1ccco1 | 15194002 | ||
| DB08770 | 4117 | 84 | None | -34 | 6 | Human | 7.5 | pKi | None | 7.5 | Binding | Guide to Pharmacology | 337 | 5 | 3 | 9 | 1.7 | Oc1ccc(cc1)CCNc1nc(N)n2c(n1)nc(n2)c1ccco1 | 10496952 | ||
| DB08770 | 4117 | 84 | None | -34 | 6 | Human | 7.5 | pKi | None | 7.5 | Binding | Guide to Pharmacology | 337 | 5 | 3 | 9 | 1.7 | Oc1ccc(cc1)CCNc1nc(N)n2c(n1)nc(n2)c1ccco1 | 11093773 | ||
| DB08770 | 4117 | 84 | None | -34 | 6 | Human | 7.5 | pKi | None | 7.5 | Binding | Guide to Pharmacology | 337 | 5 | 3 | 9 | 1.7 | Oc1ccc(cc1)CCNc1nc(N)n2c(n1)nc(n2)c1ccco1 | 11266650 | ||
| DB08770 | 4117 | 84 | None | -34 | 6 | Human | 7.5 | pKi | None | 7.5 | Binding | Guide to Pharmacology | 337 | 5 | 3 | 9 | 1.7 | Oc1ccc(cc1)CCNc1nc(N)n2c(n1)nc(n2)c1ccco1 | 15194002 | ||
| 135465785 | 487 | 0 | None | - | 1 | Human | 7.6 | pKi | None | 7.6 | Binding | Guide to Pharmacology | 496 | 8 | 2 | 12 | 0.0 | CCCn1c2=N/C(=c/3\o[nH]c(c3)OCC(=O)Nc3ccc4c(c3)OCO4)/N=c2c(=O)n(c1=O)CCC | 16219300 | ||
| 439 | 487 | 0 | None | - | 1 | Human | 7.6 | pKi | None | 7.6 | Binding | Guide to Pharmacology | 496 | 8 | 2 | 12 | 0.0 | CCCn1c2=N/C(=c/3\o[nH]c(c3)OCC(=O)Nc3ccc4c(c3)OCO4)/N=c2c(=O)n(c1=O)CCC | 16219300 | ||
| CHEMBL32582 | 487 | 0 | None | - | 1 | Human | 7.6 | pKi | None | 7.6 | Binding | Guide to Pharmacology | 496 | 8 | 2 | 12 | 0.0 | CCCn1c2=N/C(=c/3\o[nH]c(c3)OCC(=O)Nc3ccc4c(c3)OCO4)/N=c2c(=O)n(c1=O)CCC | 16219300 | ||
| 135529391 | 480 | 0 | None | - | 1 | Human | 7.7 | pKi | None | 7.7 | Binding | Guide to Pharmacology | 555 | 10 | 2 | 10 | 1.5 | CCCn1c2=N/C(=c\3/cc([nH]n3C)NC(=O)Cc3ccc(cc3)OCc3ccccc3)/N=c2c(=O)n(c1=O)CCC | 16219300 | ||
| 438 | 480 | 0 | None | - | 1 | Human | 7.7 | pKi | None | 7.7 | Binding | Guide to Pharmacology | 555 | 10 | 2 | 10 | 1.5 | CCCn1c2=N/C(=c\3/cc([nH]n3C)NC(=O)Cc3ccc(cc3)OCc3ccccc3)/N=c2c(=O)n(c1=O)CCC | 16219300 | ||
| CHEMBL285900 | 480 | 0 | None | - | 1 | Human | 7.7 | pKi | None | 7.7 | Binding | Guide to Pharmacology | 555 | 10 | 2 | 10 | 1.5 | CCCn1c2=N/C(=c\3/cc([nH]n3C)NC(=O)Cc3ccc(cc3)OCc3ccccc3)/N=c2c(=O)n(c1=O)CCC | 16219300 | ||
| 135443359 | 489 | 0 | None | - | 1 | Human | 7.7 | pKi | None | 7.7 | Binding | Guide to Pharmacology | 509 | 9 | 3 | 11 | -0.1 | CCCn1c2=N/C(=c\3/cc([nH]n3C)OCC(=O)Nc3ccc(cc3)C(=O)O)/N=c2c(=O)n(c1=O)CCC | 16219300 | ||
| 441 | 489 | 0 | None | - | 1 | Human | 7.7 | pKi | None | 7.7 | Binding | Guide to Pharmacology | 509 | 9 | 3 | 11 | -0.1 | CCCn1c2=N/C(=c\3/cc([nH]n3C)OCC(=O)Nc3ccc(cc3)C(=O)O)/N=c2c(=O)n(c1=O)CCC | 16219300 | ||
| CHEMBL431703 | 489 | 0 | None | - | 1 | Human | 7.7 | pKi | None | 7.7 | Binding | Guide to Pharmacology | 509 | 9 | 3 | 11 | -0.1 | CCCn1c2=N/C(=c\3/cc([nH]n3C)OCC(=O)Nc3ccc(cc3)C(=O)O)/N=c2c(=O)n(c1=O)CCC | 16219300 | ||
| 135529386 | 488 | 0 | None | - | 1 | Human | 7.8 | pKi | None | 7.8 | Binding | Guide to Pharmacology | 537 | 10 | 2 | 12 | 0.4 | CCOC(=O)c1ccc(cc1)NC(=O)COc1c/c(=C\2/N=c3c(=N2)c(=O)n(c(=O)n3CCC)CCC)/n([nH]1)C | 16219300 | ||
| 440 | 488 | 0 | None | - | 1 | Human | 7.8 | pKi | None | 7.8 | Binding | Guide to Pharmacology | 537 | 10 | 2 | 12 | 0.4 | CCOC(=O)c1ccc(cc1)NC(=O)COc1c/c(=C\2/N=c3c(=N2)c(=O)n(c(=O)n3CCC)CCC)/n([nH]1)C | 16219300 | ||
| CHEMBL284615 | 488 | 0 | None | - | 1 | Human | 7.8 | pKi | None | 7.8 | Binding | Guide to Pharmacology | 537 | 10 | 2 | 12 | 0.4 | CCOC(=O)c1ccc(cc1)NC(=O)COc1c/c(=C\2/N=c3c(=N2)c(=O)n(c(=O)n3CCC)CCC)/n([nH]1)C | 16219300 | ||
| 1328 | 1357 | 35 | None | -7 | 4 | Human | 7.9 | pKi | None | 7.9 | Binding | Guide to Pharmacology | 284 | 3 | 1 | 5 | 1.6 | CCn1c2nc([nH]c2c(=O)n(c1=O)CC)c1ccccc1 | 10496952 | ||
| 445 | 1357 | 35 | None | -7 | 4 | Human | 7.9 | pKi | None | 7.9 | Binding | Guide to Pharmacology | 284 | 3 | 1 | 5 | 1.6 | CCn1c2nc([nH]c2c(=O)n(c1=O)CC)c1ccccc1 | 10496952 | ||
| CHEMBL11348 | 1357 | 35 | None | -7 | 4 | Human | 7.9 | pKi | None | 7.9 | Binding | Guide to Pharmacology | 284 | 3 | 1 | 5 | 1.6 | CCn1c2nc([nH]c2c(=O)n(c1=O)CC)c1ccccc1 | 10496952 | ||
| 135416058 | 490 | 0 | None | - | 1 | Human | 8.0 | pKi | None | 8 | Binding | Guide to Pharmacology | 530 | 8 | 1 | 11 | -0.5 | C=CCn1c2=N/C(=c\3/cc([nH]n3C)OCC(=O)N3CCN(CC3)c3ccccc3)/N=c2c(=O)n(c1=O)CC=C | 16219300 | ||
| 442 | 490 | 0 | None | - | 1 | Human | 8.0 | pKi | None | 8 | Binding | Guide to Pharmacology | 530 | 8 | 1 | 11 | -0.5 | C=CCn1c2=N/C(=c\3/cc([nH]n3C)OCC(=O)N3CCN(CC3)c3ccccc3)/N=c2c(=O)n(c1=O)CC=C | 16219300 | ||
| CHEMBL2113342 | 490 | 0 | None | - | 1 | Human | 8.0 | pKi | None | 8 | Binding | Guide to Pharmacology | 530 | 8 | 1 | 11 | -0.5 | C=CCn1c2=N/C(=c\3/cc([nH]n3C)OCC(=O)N3CCN(CC3)c3ccccc3)/N=c2c(=O)n(c1=O)CC=C | 16219300 | ||
| 135443367 | 486 | 0 | None | 22 | 2 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 534 | 9 | 1 | 10 | 1.8 | CCCn1c2[nH]c(nc2c(=O)n(c1=O)CCC)c1cc(nn1C)OCC(=O)N1CCN(CC1)c1ccccc1 | 16219300 | ||
| 382 | 486 | 0 | None | 22 | 2 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 534 | 9 | 1 | 10 | 1.8 | CCCn1c2[nH]c(nc2c(=O)n(c1=O)CCC)c1cc(nn1C)OCC(=O)N1CCN(CC1)c1ccccc1 | 16219300 | ||
| CHEMBL33455 | 486 | 0 | None | 22 | 2 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 534 | 9 | 1 | 10 | 1.8 | CCCn1c2[nH]c(nc2c(=O)n(c1=O)CCC)c1cc(nn1C)OCC(=O)N1CCN(CC1)c1ccccc1 | 16219300 | ||
| 135489238 | 476 | 1 | None | 30 | 2 | Human | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | 533 | 9 | 2 | 9 | 3.4 | CCCn1c2[nH]c(nc2c(=O)n(c1=O)CCC)c1cc(nn1C)OCC(=O)Nc1ccc(c(c1)Cl)Cl | 16219300 | ||
| 381 | 476 | 1 | None | 30 | 2 | Human | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | 533 | 9 | 2 | 9 | 3.4 | CCCn1c2[nH]c(nc2c(=O)n(c1=O)CCC)c1cc(nn1C)OCC(=O)Nc1ccc(c(c1)Cl)Cl | 16219300 | ||
| CHEMBL32802 | 476 | 1 | None | 30 | 2 | Human | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | 533 | 9 | 2 | 9 | 3.4 | CCCn1c2[nH]c(nc2c(=O)n(c1=O)CCC)c1cc(nn1C)OCC(=O)Nc1ccc(c(c1)Cl)Cl | 16219300 | ||
| 135476605 | 477 | 0 | None | - | 1 | Human | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | 525 | 10 | 2 | 13 | 0.2 | CCCn1c2=N/C(=c\3/cc([nH]n3C)OC(=O)CNc3ccc(c(c3)OC)OC)/N=c2c(=O)n(c1=O)CCC | 16219300 | ||
| 437 | 477 | 0 | None | - | 1 | Human | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | 525 | 10 | 2 | 13 | 0.2 | CCCn1c2=N/C(=c\3/cc([nH]n3C)OC(=O)CNc3ccc(c(c3)OC)OC)/N=c2c(=O)n(c1=O)CCC | 16219300 | ||
| 135522368 | 491 | 1 | None | 117 | 2 | Human | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | 493 | 9 | 2 | 9 | 2.7 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1cc(nn1C)OCC(=O)Nc1ccc(c(c1)C)C | 16219300 | ||
| 383 | 491 | 1 | None | 117 | 2 | Human | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | 493 | 9 | 2 | 9 | 2.7 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1cc(nn1C)OCC(=O)Nc1ccc(c(c1)C)C | 16219300 | ||
| CHEMBL33491 | 491 | 1 | None | 117 | 2 | Human | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | 493 | 9 | 2 | 9 | 2.7 | CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1cc(nn1C)OCC(=O)Nc1ccc(c(c1)C)C | 16219300 | ||
| 450 | 2949 | 9 | None | 257 | 4 | Human | 9.3 | pKi | None | 9.3 | Binding | Guide to Pharmacology | 525 | 10 | 3 | 6 | 3.6 | CC(=O)NCCNc1nc(nc2c1cc([nH]2)C(=O)N1CCN(CC1)CCCc1ccccc1)c1ccccc1 | 15194002 | ||
| 454 | 2949 | 9 | None | 257 | 4 | Human | 9.3 | pKi | None | 9.3 | Binding | Guide to Pharmacology | 525 | 10 | 3 | 6 | 3.6 | CC(=O)NCCNc1nc(nc2c1cc([nH]2)C(=O)N1CCN(CC1)CCCc1ccccc1)c1ccccc1 | 15194002 | ||
| 5311041 | 2949 | 9 | None | 257 | 4 | Human | 9.3 | pKi | None | 9.3 | Binding | Guide to Pharmacology | 525 | 10 | 3 | 6 | 3.6 | CC(=O)NCCNc1nc(nc2c1cc([nH]2)C(=O)N1CCN(CC1)CCCc1ccccc1)c1ccccc1 | 15194002 | ||
| CHEMBL485862 | 2949 | 9 | None | 257 | 4 | Human | 9.3 | pKi | None | 9.3 | Binding | Guide to Pharmacology | 525 | 10 | 3 | 6 | 3.6 | CC(=O)NCCNc1nc(nc2c1cc([nH]2)C(=O)N1CCN(CC1)CCCc1ccccc1)c1ccccc1 | 15194002 | ||