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
CHEMBL569766		IC50	=	11.0	nM	412.28	CC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cc3c(cc1Br)OCO3)N2	Homo sapiens	CHEMBL1038026	single protein format
CHEMBL583543		IC50	=	20.0	nM	370.25	Brc1cc2c(cc1[C@@H]1Nc3ccccc3[C@@H]3C=CC[C@@H]31)OCO2	Homo sapiens	CHEMBL1038026	single protein format
CHEMBL135		Ki	=	5.7	nM	272.39	C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O	Homo sapiens	CHEMBL1226308	cell-based format
CHEMBL569766		Ki	=	11.0	nM	412.28	CC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cc3c(cc1Br)OCO3)N2	Homo sapiens	CHEMBL1226308	cell-based format
CHEMBL583543		Ki	=	20.0	nM	370.25	Brc1cc2c(cc1[C@@H]1Nc3ccccc3[C@@H]3C=CC[C@@H]31)OCO2	Homo sapiens	CHEMBL1220636	cell-based format