KBM5
Target ID: CHEMBL4483250
Organism: Homo sapiens
Type: CELL-LINE
Molecules
| Name | SMILES | Bioactivity | Structure |
|---|---|---|---|
| IMATINIB MESYLATE | CS(=O)(=O)O.Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1 | EC50: 90.0 nM |  |
| ANDROGRAPHOLIDE | C=C1CC[C@@H]2[C@](C)(CO)[C@H](O)CC[C@@]2(C)[C@@H]1C/C=C1/C(=O)OC[C@H]1O | IG50: 30.0 uM |  |
Top Fragments
| SMILES | Avg pKi | Count | Structure |
|---|---|---|---|
| [16*]c1cccnc1 | 7.05 | 39 |  |
| [5*]N1CCN(C)CC1 | 7.05 | 39 |  |
| O=C(Nc1cccc(Nc2nccc(-c3cccnc3)n2)c1)c1ccc(CN2CCNCC2)cc1 | 7.05 | 39 |  |
| [5*]N[5*] | 7.05 | 39 |  |
| [14*]c1ccnc([14*])n1 | 7.05 | 39 |  |