TE-671
Target ID: CHEMBL615012
Organism: Homo sapiens
Type: CELL-LINE
Molecules
| Name | SMILES | Bioactivity | Structure |
|---|---|---|---|
| ERLOTINIB | C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1 | IC50: 1450.0 nM |  |
| LAPATINIB | CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1 | IC50: 10.0 nM |  |
Top Fragments
| SMILES | Avg pKi | Count | Structure |
|---|---|---|---|
| [3*]O[3*] | 6.92 | 78 |  |
| [5*]N[5*] | 6.92 | 78 |  |
| [14*]c1ncnc2cc([16*])c([16*])cc12 | 5.84 | 39 |  |
| [16*]c1cccc(C#C)c1 | 5.84 | 39 |  |
| [4*]CC[4*] | 5.84 | 39 |  |