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
CHEMBL5198317		IC50	=	4.0	nM	199.2	NCC(=CF)COc1ccc(F)cc1	Homo sapiens	CHEMBL5106512	single protein format
CHEMBL5204901		IC50	=	5.0	nM	229.68	Cl.NC/C(=C/F)[C@@H]1Cc2ccccc2O1	Homo sapiens	CHEMBL5106512	single protein format
CHEMBL5201033		IC50	=	6.0	nM	181.21	NCC(=CF)COc1ccccc1	Homo sapiens	CHEMBL5106512	single protein format
CHEMBL489079		IC50	=	10.0	nM	197.23	NC/C(=C/F)CCc1ccc(F)cc1	Homo sapiens	CHEMBL5106512	single protein format
CHEMBL5186190		IC50	=	11.0	nM	229.68	Cl.NC/C(=C\F)[C@@H]1Cc2ccccc2O1	Homo sapiens	CHEMBL5106512	single protein format
CHEMBL5197971		IC50	=	12.0	nM	229.68	Cl.NCC(=CF)C1Cc2ccccc2O1	Homo sapiens	CHEMBL5106512	single protein format
CHEMBL5194056		IC50	=	19.0	nM	181.21	NC/C(=C\F)COc1ccccc1	Homo sapiens	CHEMBL5106512	single protein format
CHEMBL5196906		IC50	=	19.0	nM	229.68	Cl.NC/C(=C\F)[C@H]1Cc2ccccc2O1	Homo sapiens	CHEMBL5106512	single protein format
CHEMBL5186898		IC50	=	32.0	nM	229.68	Cl.NC/C(=C/F)[C@H]1Cc2ccccc2O1	Homo sapiens	CHEMBL5106512	single protein format
CHEMBL5199917		IC50	=	288.0	nM	195.24	Cc1ccccc1OC/C(=C/F)CN	Homo sapiens	CHEMBL5106512	single protein format
CHEMBL5196906		Ki	=	710.0	nM	229.68	Cl.NC/C(=C\F)[C@H]1Cc2ccccc2O1	Homo sapiens	CHEMBL5106539	single protein format