molecule_chembl_id | structure | assay_type | relation | values | units | mol_wt | smiles | organism | assay_chembl_id | bao_label |
---|---|---|---|---|---|---|---|---|---|---|
CHEMBL4868141 | IC50 | = | -14500.0 | nM | 532.67 | Nc1ncc(-c2ccc(NS(=O)(=O)C3CC3)cc2OC2CCCCC2)cc1-c1ccc2c(c1)CCNC2=O | Homo sapiens | CHEMBL4804441 | cell-based format | |
CHEMBL388978 |
|
IC50 | = | 0.628 | nM | 466.54 | CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 | Homo sapiens | CHEMBL4328620 | single protein format |