TC-YIK
Target ID: CHEMBL2366324
Organism: Homo sapiens
Type: CELL-LINE
Molecules
| Name | SMILES | Bioactivity | Structure |
|---|---|---|---|
| BORTEZOMIB | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)B(O)O | Ki: 0.62 nM |  |
| CRIZOTINIB | C[C@@H](Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl | IC50: 8.0 nM |  |
Top Fragments
| SMILES | Avg pKi | Count | Structure |
|---|---|---|---|
| [16*]c1ccccc1 | 9.21 | 39 |  |
| [1*]C([6*])=O | 9.21 | 39 |  |
| O=C(NCCc1ccccc1)c1cnccn1 | 9.21 | 39 |  |
| [1*]C(=O)[C@@H]([4*])C[8*] | 9.21 | 39 |  |
| [5*]N[5*] | 9.21 | 39 |  |