molecule_chembl_id | structure | assay_type | relation | values | units | mol_wt | smiles | organism | assay_chembl_id | bao_label |
---|---|---|---|---|---|---|---|---|---|---|
CHEMBL608868 | IC50 | = | 14.0 | nM | 408.51 | NCCCCNC(CCN)CC[C@H]1OC(n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O | Homo sapiens | CHEMBL768670 | assay format | |
CHEMBL330673 |
|
IC50 | = | 250.0 | nM | 425.56 | NCCCCCC(CCN)SC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O | Homo sapiens | CHEMBL768497 | single protein format |