KHOS/NP
Target ID: CHEMBL612598
Organism: Homo sapiens
Type: CELL-LINE
Molecules
| Name | SMILES | Bioactivity | Structure |
|---|---|---|---|
| ERLOTINIB | C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1 | IC50: 1450.0 nM |  |
| SUNITINIB | CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c1C | IC50: 80.0 nM |  |
Top Fragments
| SMILES | Avg pKi | Count | Structure |
|---|---|---|---|
| [4*]CC[4*] | 6.47 | 78 |  |
| [5*]N[5*] | 6.47 | 78 |  |
| [14*]c1ncnc2cc([16*])c([16*])cc12 | 5.84 | 39 |  |
| [16*]c1cccc(C#C)c1 | 5.84 | 39 |  |
| [3*]OC | 5.84 | 39 |  |