Homo sapiens
Target ID: CHEMBL372
Organism: Homo sapiens
Type: ORGANISM
Molecules
| Name | SMILES | Bioactivity | Structure |
|---|---|---|---|
| CANERTINIB DIHYDROCHLORIDE | C=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCN1CCOCC1.Cl.Cl | IC50: 1.5 nM |  |
| ATENOLOL | CC(C)NCC(O)COc1ccc(CC(N)=O)cc1 | Pc: 1000000.0 cm s-1 |  |
| AMILORIDE | N=C(N)NC(=O)c1nc(Cl)c(N)nc1N | Pc: 780000.0 cm s-1 |  |
| SILDENAFIL | CCCc1nn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3OCC)nc12 | Pc: 87000000.0 cm s-1 |  |
Top Fragments
| SMILES | Avg pKi | Count | Structure |
|---|---|---|---|
| [3*]O[3*] | 8.82 | 94 |  |
| [5*]N[5*] | 8.82 | 55 |  |
| c1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)ccc23)cc1 | 8.82 | 39 |  |
| [14*]c1ncnc2cc([16*])c([16*])cc12 | 8.82 | 39 |  |
| [5*]N1CCOCC1 | 8.82 | 39 |  |