3D structures mapped by conservation among orthologs

[ Alpha Fold Model ] (go)

Known binders annotated in ChEMBL

 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
CHEMBL3827756		Ki	=	0.219	nM	228.32	CCCCCCSc1nc(O)cc(O)n1	Homo sapiens	CHEMBL4343759	cell-based format
CHEMBL4444010		Ki	=	0.317	nM	310.15	O=c1cc(NCCc2ccc(Br)cc2)[nH]c(=O)[nH]1	Homo sapiens	CHEMBL4343759	cell-based format
CHEMBL3827310		Ki	=	0.324	nM	276.36	Oc1cc(O)nc(SCCCCc2ccccc2)n1	Homo sapiens	CHEMBL4343759	cell-based format
CHEMBL88536		Ki	=	0.58	nM	259.31	Oc1cc(NCCCCc2ccccc2)nc(O)n1	Homo sapiens	CHEMBL4343759	cell-based format
CHEMBL4547165		Ki	=	0.582	nM	259.31	CCc1ccc(CCNc2cc(=O)[nH]c(=O)[nH]2)cc1	Homo sapiens	CHEMBL4343759	cell-based format
CHEMBL3827832		Ki	=	0.626	nM	239.32	CCCCCCCCNc1cc(=O)[nH]c(=O)[nH]1	Homo sapiens	CHEMBL4343759	cell-based format
CHEMBL4538049		Ki	=	0.65	nM	265.7	O=c1cc(NCCc2ccc(Cl)cc2)[nH]c(=O)[nH]1	Homo sapiens	CHEMBL4343759	cell-based format
CHEMBL3828415		Ki	=	0.7	nM	262.33	Oc1cc(O)nc(SCCCc2ccccc2)n1	Homo sapiens	CHEMBL4343759	cell-based format
CHEMBL125436		Ki	=	0.726	nM	267.37	CCCCCCCCCCNc1cc(O)nc(O)n1	Homo sapiens	CHEMBL4343759	cell-based format
CHEMBL4468895		Ki	=	0.866	nM	225.29	CCCCCCCNc1cc(=O)[nH]c(=O)[nH]1	Homo sapiens	CHEMBL4343759	cell-based format
CHEMBL4521587		Ki	=	1.12	nM	253.35	CCCCCCCCCNc1cc(=O)[nH]c(=O)[nH]1	Homo sapiens	CHEMBL4343759	cell-based format
CHEMBL4439640		Ki	=	1.25	nM	245.28	Cc1ccc(CCNc2cc(=O)[nH]c(=O)[nH]2)cc1	Homo sapiens	CHEMBL4343759	cell-based format
CHEMBL4580884		Ki	=	1.27	nM	287.36	CC(C)(C)c1ccc(CCNc2cc(=O)[nH]c(=O)[nH]2)cc1	Homo sapiens	CHEMBL4343759	cell-based format
CHEMBL3828298		Ki	=	1.56	nM	237.34	CCCCCCCCCc1cc(O)cc(O)n1	Homo sapiens	CHEMBL4343759	cell-based format
CHEMBL4528940		Ki	=	2.1	nM	261.28	O=c1cc(NCCCOc2ccccc2)[nH]c(=O)[nH]1	Homo sapiens	CHEMBL4343759	cell-based format
CHEMBL4571353		Ki	=	2.3	nM	300.14	O=c1cc(NCCc2ccc(Cl)cc2Cl)[nH]c(=O)[nH]1	Homo sapiens	CHEMBL4343759	cell-based format
CHEMBL4438595		Ki	=	2.63	nM	282.75	O=c1cc(O)nc(SCCc2ccc(Cl)cc2)[nH]1	Homo sapiens	CHEMBL4343759	cell-based format
CHEMBL124977		Ki	=	2.98	nM	211.26	CCCCCCNc1cc(O)nc(O)n1	Homo sapiens	CHEMBL4343759	cell-based format
CHEMBL4528577		Ki	=	3.12	nM	247.25	O=c1cc(NCCOc2ccccc2)[nH]c(=O)[nH]1	Homo sapiens	CHEMBL4343759	cell-based format
CHEMBL4562761		Ki	=	3.17	nM	327.2	O=c1cc(O)nc(SCCc2ccc(Br)cc2)[nH]1	Homo sapiens	CHEMBL4343759	cell-based format