EBC-1
Target ID: CHEMBL4296411
Organism: Homo sapiens
Type: CELL-LINE
Molecules
| Name | SMILES | Bioactivity | Structure |
|---|---|---|---|
| VORINOSTAT | O=C(CCCCCCC(=O)Nc1ccccc1)NO | Inhibition: 100.0 % |  |
| 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 | None | 39 |  |
| [1*]C(=O)CCCCCCC(=O)NO | None | 39 |  |
| [5*]N[5*] | None | 39 |  |
| c1ccccc1 | None | 39 |  |
| [16*]c1cnc(N)c([16*])c1 | 8.1 | 39 |  |