KETR3
Target ID: CHEMBL614637
Organism: Homo sapiens
Type: CELL-LINE
Molecules
| Name | SMILES | Bioactivity | Structure |
|---|---|---|---|
| ADENOSINE | Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O | Km: 42000.0 nM |  |
| CAFFEIC ACID | O=C(O)/C=C/c1ccc(O)c(O)c1 | IC50: 1200000.0 nM |  |
| SORAFENIB | CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1 | IC50: 12.0 nM |  |
Top Fragments
| SMILES | Avg pKi | Count | Structure |
|---|---|---|---|
| c1ccccc1 | 2.92 | 39 |  |
| [16*]c1ccc(O)c(O)c1 | 2.92 | 39 |  |
| [7*]CC(=O)O | 2.92 | 39 |  |
| [7*]C[8*] | 2.92 | 39 |  |
| [5*]NC | 7.92 | 39 |  |