molecule_chembl_id | structure | assay_type | relation | values | units | mol_wt | smiles | organism | assay_chembl_id | bao_label |
---|---|---|---|---|---|---|---|---|---|---|
CHEMBL3577296 | IC50 | = | 27.35 | nM | 426.95 | CCN(CC)CCN(Cc1ccc(Cl)cc1)c1ccc2cc(C(=N)N)c(=O)oc2c1 | Homo sapiens | CHEMBL3579741 | cell-based format | |
CHEMBL1800430 |
|
IC50 | = | 224.0 | nM | 352.89 | NCc1sc2cc(C#Cc3ccc4c(c3)CNCC4)ccc2c1Cl | Homo sapiens | CHEMBL1804677 | single protein format |