Geminin
Target ID: CHEMBL1293278
Organism: Homo sapiens
Type: SINGLE PROTEIN
Molecules
| Name | SMILES | Bioactivity | Structure |
|---|---|---|---|
| MIFEPRISTONE | CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)C)cc3)C[C@@]21C | IC50: 0.028 nM |  |
| 2-METHOXYESTRADIOL | COc1cc2c(cc1O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12 | GI50: 700.0 nM |  |
| SEMAXANIB | Cc1cc(C)c(/C=C2\C(=O)Nc3ccccc32)[nH]1 | IC50: 700.0 nM |  |
| RALOXIFENE HYDROCHLORIDE | Cl.O=C(c1ccc(OCCN2CCCCC2)cc1)c1c(-c2ccc(O)cc2)sc2cc(O)ccc12 | IC50: 0.4 nM |  |
| SELICICLIB | CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 | IC50: 450.0 nM |  |
| DIPYRIDAMOLE | OCCN(CCO)c1nc(N2CCCCC2)c2nc(N(CCO)CCO)nc(N3CCCCC3)c2n1 | IC50: 500.0 nM |  |
Top Fragments
| SMILES | Avg pKi | Count | Structure |
|---|---|---|---|
| [5*]N1CCCCC1 | 7.62 | 68 |  |
| [16*]c1ccc([16*])cc1 | 9.99 | 60 |  |
| [14*]c1[nH]c(C)cc1C | 6.15 | 39 |  |
| O=C1Nc2ccccc2/C1=C/c1ccc[nH]1 | 6.15 | 39 |  |
| [7*]C1C(=O)Nc2ccccc21 | 6.15 | 39 |  |