Blood
Target ID: CHEMBL613416
Organism: Homo sapiens
Type: TISSUE
Molecules
| Name | SMILES | Bioactivity | Structure |
|---|---|---|---|
| VALDECOXIB | Cc1onc(-c2ccccc2)c1-c1ccc(S(N)(=O)=O)cc1 | Ki: 54000.0 nM |  |
| CILOMILAST | COc1ccc([C@]2(C#N)CC[C@@H](C(=O)O)CC2)cc1OC1CCCC1 | IC50: 100.0 nM |  |
| DORAMAPIMOD | Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1 | Kd: 0.046 nM |  |
| MILRINONE | Cc1[nH]c(=O)c(C#N)cc1-c1ccncc1 | Mean ED50: 0.037 mg kg-1 |  |
Top Fragments
| SMILES | Avg pKi | Count | Structure |
|---|---|---|---|
| [3*]O[3*] | 8.67 | 78 |  |
| [16*]c1ccc([16*])c([16*])c1 | 7.0 | 39 |  |
| [15*]C1CCCC1 | 7.0 | 39 |  |
| c1cc(OC2CCCC2)cc(C2CCCCC2)c1 | 7.0 | 39 |  |
| [3*]OC | 7.0 | 39 |  |