molecule_chembl_id | structure | assay_type | relation | values | units | mol_wt | smiles | organism | assay_chembl_id | bao_label |
---|---|---|---|---|---|---|---|---|---|---|
CHEMBL388978 | IC50 | = | 5.77 | nM | 466.54 | CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 | Homo sapiens | CHEMBL4328576 | single protein format | |
CHEMBL1082821 |
|
IC50 | = | 24.0 | nM | 402.28 | O=C(Nc1cc2cc[nH]c(=O)c2cc1Cl)[C@@H]1CNC[C@H]1c1ccc(Cl)cc1 | Homo sapiens | CHEMBL1120084 | single protein format |