3D structures mapped by conservation among orthologs

[ Alpha Fold Model ] (go)

Known binders annotated in ChEMBL

 IC50 CSV    Ki 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
CHEMBL379000		IC50	=	900.0	nM	407.44	COC(=O)C(Cc1ccccc1)(Cc1ccc(NS(=O)(=O)O)cc1)C(=O)OC	Homo sapiens	CHEMBL868035	single protein format
CHEMBL68125		Ki	=	160.0	nM	588.64	CCCCCNC(=O)C(Cc1ccc(N(C(=O)C(=O)O)c2ccccc2C(=O)O)c(/C=C/C(N)=O)c1)NS(C)(=O)=O	Homo sapiens	CHEMBL805117	cell-based format
CHEMBL55799		Ki	=	900.0	nM	511.58	CCCCCNC(=O)C(Cc1ccc(N(C(=O)C(=O)O)c2ccccc2C(=O)O)c(CC)c1)NC(C)=O	Homo sapiens	CHEMBL805117	cell-based format