3D structures mapped by conservation among orthologs

[ Domain: "Bromodomain" // Bromodomain ]

 PyMOL session

[ 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
CHEMBL3823599		IC50	=	41.0	nM	330.43	COc1cc(-c2cn(C)c(=O)c(C)c2C)cc(OC)c1CN(C)C	Homo sapiens	CHEMBL3826478	assay format
CHEMBL4102050		IC50	=	82.0	nM	353.4	Cc1cc2cc(NS(=O)(=O)c3ccc(C#N)cc3)ccc2n(C)c1=O	Homo sapiens	CHEMBL4053002	assay format
CHEMBL3824146		IC50	=	108.0	nM	352.43	COc1cc(-c2cn(C)c(=O)c3ccccc23)cc(OC)c1CN(C)C	Homo sapiens	CHEMBL3826478	assay format
CHEMBL3823478		IC50	=	117.0	nM	353.42	COc1cc(-c2cn(C)c(=O)c3cnccc23)cc(OC)c1CN(C)C	Homo sapiens	CHEMBL3826493	single protein format
CHEMBL3752151		IC50	=	140.0	nM	383.43	COc1cc(C#N)ccc1S(=O)(=O)Nc1ccc2c(c1)cc(C)c(=O)n2C	Homo sapiens	CHEMBL4030900	assay format
CHEMBL3824312		IC50	=	188.0	nM	354.41	COc1cc(-c2cn(C)c(=O)c3cncnc23)cc(OC)c1CN(C)C	Homo sapiens	CHEMBL3826478	assay format
CHEMBL3822990		IC50	=	230.0	nM	316.4	COc1cc(-c2cc(C)c(=O)n(C)c2)cc(OC)c1CN(C)C	Homo sapiens	CHEMBL3826478	assay format
CHEMBL3823697		IC50	=	240.0	nM	330.43	COc1cc(-c2cc(C)c(=O)n(C)c2C)cc(OC)c1CN(C)C	Homo sapiens	CHEMBL3826478	assay format
CHEMBL5413197		IC50	=	850.0	nM	294.35	COc1ccc(-c2ccc3c(C)cc(=O)n(C)c3c2)c(C)n1	Homo sapiens	CHEMBL5328664	cell-based format
CHEMBL3823101		IC50	<	1000.0	nM	353.42	COc1cc(-c2cn(C)c(=O)c3cnccc23)c(OC)cc1CN(C)C	Homo sapiens	CHEMBL5210230	assay format
CHEMBL5413197		Ki	=	170.0	nM	294.35	COc1ccc(-c2ccc3c(C)cc(=O)n(C)c3c2)c(C)n1	Homo sapiens	CHEMBL5328655	assay format
CHEMBL3823478		Ki	=	300.0	nM	353.42	COc1cc(-c2cn(C)c(=O)c3cnccc23)cc(OC)c1CN(C)C	Homo sapiens	CHEMBL5328655	assay format
CHEMBL5434122		Ki	=	310.0	nM	296.33	COc1ccc(-c2cn(C)c(=O)c3ccccc23)c(OC)n1	Homo sapiens	CHEMBL5328655	assay format
CHEMBL5407972		Ki	=	860.0	nM	263.34	Cc1cc(C)cc(-c2cn(C)c(=O)c3ccccc23)c1	Homo sapiens	CHEMBL5328655	assay format