HK-2
Target ID: CHEMBL4296428
Organism: Homo sapiens
Type: CELL-LINE
Molecules
| Name | SMILES | Bioactivity | Structure |
|---|---|---|---|
| SORAFENIB | CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1 | IC50: 12.0 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 |
|---|---|---|---|
| [5*]NC | 7.92 | 39 |  |
| [16*]c1ccc(Cl)c([16*])c1 | 7.92 | 39 |  |
| [14*]c1cc([16*])ccn1 | 7.92 | 39 |  |
| [5*]N[5*] | 7.92 | 39 |  |
| [8*]C(F)(F)F | 7.92 | 39 |  |