ECa-109 cell line
Target ID: CHEMBL614668
Organism: Homo sapiens
Type: CELL-LINE
Molecules
| Name | SMILES | Bioactivity | Structure |
|---|---|---|---|
| ERLOTINIB | C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1 | IC50: 1450.0 nM |  |
| 2-METHOXYESTRADIOL | COc1cc2c(cc1O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12 | GI50: 700.0 nM |  |
| GEFITINIB | COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1 | IC50: 515.0 nM |  |
Top Fragments
| SMILES | Avg pKi | Count | Structure |
|---|---|---|---|
| [3*]OC | 6.09 | 108 |  |
| [14*]c1ncnc2cc([16*])c([16*])cc12 | 6.06 | 78 |  |
| [3*]O[3*] | 6.06 | 78 |  |
| [5*]N[5*] | 6.06 | 78 |  |
| [16*]c1cccc(C#C)c1 | 5.84 | 39 |  |