Nuclear factor NF-kappa-B p65 subunit
Target ID: CHEMBL5533
Organism: Homo sapiens
Type: SINGLE PROTEIN
Molecules
| Name | SMILES | Bioactivity | Structure |
|---|---|---|---|
| ANDROGRAPHOLIDE | C=C1CC[C@@H]2[C@](C)(CO)[C@H](O)CC[C@@]2(C)[C@@H]1C/C=C1/C(=O)OC[C@H]1O | IG50: 30.0 uM |  |
| GEFITINIB | COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1 | IC50: 515.0 nM |  |
| BORTEZOMIB | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)B(O)O | Ki: 0.62 nM |  |
Top Fragments
| SMILES | Avg pKi | Count | Structure |
|---|---|---|---|
| [5*]N[5*] | 7.75 | 78 |  |
| [7*]C1C(=O)OC[C@H]1O | None | 39 |  |
| [7*]CC[8*] | None | 39 |  |
| [8*]CO | None | 39 |  |
| C=C1CC[C@@H]2CCCCC2[C@@H]1C/C=C1\CCOC1=O | None | 39 |  |