3D structures mapped by conservation among orthologs

[ Alpha Fold Model ] (go)

Known binders annotated in ChEMBL

 IC50 CSV

Only the first 20 rows are shown.

molecule_chembl_id	structure	assay_type	relation	value	unit	mol_wt	smiles	organism	assay_chembl_id	bao_label
CHEMBL221137		IC50	=	210.0	nM	294.39	CCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O	Homo sapiens	CHEMBL3420873	single protein format
CHEMBL221598		IC50	=	800.0	nM	252.31	CCCCCCCCC1=C(O)C(=O)C=C(O)C1=O	Homo sapiens	CHEMBL3420871	cell-based format
CHEMBL462801		IC50	=	900.0	nM	322.45	CCCCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O	Homo sapiens	CHEMBL3420871	cell-based format
CHEMBL3416163		IC50	=	1000.0	nM	280.36	CCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O	Homo sapiens	CHEMBL3420871	cell-based format