molecule_chembl_id | structure | assay_type | relation | values | units | mol_wt | smiles | organism | assay_chembl_id | bao_label |
---|---|---|---|---|---|---|---|---|---|---|
CHEMBL309804 | IC50 | = | 14.0 | nM | 210.67 | N=C1NCCN1Cc1ccc(Cl)nc1 | Homo sapiens | CHEMBL3076135 | cell-based format | |
CHEMBL365956 |
|
IC50 | = | 15.6 | nM | 269.14 | O=c1c(Br)ccc2n1C[C@@H]1CNC[C@H]2C1 | Homo sapiens | CHEMBL1058165 | cell-based format |
CHEMBL3 |
|
IC50 | = | 45.0 | nM | 162.24 | CN1CCC[C@H]1c1cccnc1 | Homo sapiens | CHEMBL3076135 | cell-based format |
CHEMBL2270633 |
|
IC50 | = | 180.0 | nM | 268.7 | O=[N+]([O-])/C=C1/NCCCN1Cc1ccc(Cl)nc1 | Homo sapiens | CHEMBL3076135 | cell-based format |
CHEMBL3 |
|
Ki | = | 220.0 | nM | 162.24 | CN1CCC[C@H]1c1cccnc1 | Homo sapiens | CHEMBL752378 | cell-based format |