Phosphodiesterase 3 and 5 (PDE3 and PDE5)
Target ID: CHEMBL2111400
Organism: Homo sapiens
Type: SELECTIVITY GROUP
Molecules
| Name | SMILES | Bioactivity | Structure |
|---|---|---|---|
| CARTAZOLATE | CCCCNc1c(C(=O)OCC)cnc2c1cnn2CC | IC50: 180.0 nM |  |
| TADALAFIL | CN1CC(=O)N2[C@H](c3ccc4c(c3)OCO4)c3[nH]c4ccccc4c3C[C@@H]2C1=O | IC50: 6.7 nM |  |
| SILDENAFIL | CCCc1nn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3OCC)nc12 | Pc: 87000000.0 cm s-1 |  |
| VARDENAFIL | CCCc1nc(C)c2c(=O)nc(-c3cc(S(=O)(=O)N4CCN(CC)CC4)ccc3OCC)[nH]n12 | IC50: 0.7 nM |  |
Top Fragments
| SMILES | Avg pKi | Count | Structure |
|---|---|---|---|
| [3*]O[3*] | 7.95 | 117 |  |
| [4*]CC | 7.95 | 117 |  |
| [12*]S(=O)(=O)c1ccc([16*])c([16*])c1 | 9.15 | 78 |  |
| [8*]CCC | 9.15 | 78 |  |
| [9*]n1ncc2c([16*])c([16*])cnc21 | 6.74 | 39 |  |