molecule_chembl_id | structure | assay_type | relation | values | units | mol_wt | smiles | organism | assay_chembl_id | bao_label |
---|---|---|---|---|---|---|---|---|---|---|
CHEMBL3590408 | Ki | = | 20.0 | nM | 525.68 | Cc1cncc(-c2cnc(N[C@@H]3CCN(C)C[C@H]3OCC3CCS(=O)(=O)CC3)c3[nH]c(=O)c(C)cc23)c1 | Homo sapiens | CHEMBL3591374 | single protein format | |
CHEMBL4529901 |
|
IC50 | = | 30.0 | nM | 336.4 | CN1CCN(c2nc(C(=O)c3ccccc3)c3cnn(C)c3n2)CC1 | Homo sapiens | CHEMBL4313206 | cell-based format |