molecule_chembl_id | structure | assay_type | relation | values | units | mol_wt | smiles | organism | assay_chembl_id | bao_label |
---|---|---|---|---|---|---|---|---|---|---|
CHEMBL3774692 | IC50 | = | 57.0 | nM | 221.24 | Nc1nc(-c2cc(C(=O)O)ccn2)cs1 | Homo sapiens | CHEMBL3776390 | single protein format | |
CHEMBL3108958 |
|
IC50 | = | 140.0 | nM | 488.42 | N[C@@H]1C[C@H]1c1ccc(NC(=O)c2ccnc(-c3cc(C(=O)O)ccn3)c2)cc1.O=C(O)C(F)(F)F | Homo sapiens | CHEMBL3110469 | single protein format |
CHEMBL1230640 |
|
IC50 | = | 170.0 | nM | 189.17 | O=C(O)c1ccc(O)c2ncccc12 | Homo sapiens | CHEMBL3110469 | single protein format |