molecule_chembl_id | structure | assay_type | relation | values | units | mol_wt | smiles | organism | assay_chembl_id | bao_label |
---|---|---|---|---|---|---|---|---|---|---|
CHEMBL4090599 | Ki | = | 18.9 | nM | 498.43 | COC[C@H]1CN(Cc2ccccn2)C(=O)[C@@H]2CCC[C@H]1N2S(=O)(=O)c1cc(Cl)cc(Cl)c1 | Homo sapiens | CHEMBL4048819 | single protein format |