MX1
Target ID: CHEMBL613704
Organism: Homo sapiens
Type: CELL-LINE
Molecules
| Name | SMILES | Bioactivity | Structure |
|---|---|---|---|
| LINIFANIB | Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4[nH]nc(N)c34)cc2)c1 | IC50: 4.0 nM |  |
| VATALANIB | Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1 | IC50: 37.0 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 |
|---|---|---|---|
| [5*]N[5*] | 7.92 | 117 |  |
| [1*]C([1*])=O | 8.16 | 78 |  |
| [16*]c1ccc([16*])cc1 | 8.16 | 78 |  |
| [16*]c1cc(C)ccc1F | 8.4 | 39 |  |
| [16*]c1cccc2[nH]nc(N)c12 | 8.4 | 39 |  |