Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Bromodomain-containing protein 4' and Ligand = 'BDBM50380676'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50380676 (CHEMBL2017283) Show SMILES COc1cc2c3n(-c4ccccc4C(C)(C)C)c(=O)[nH]c3cnc2cc1-c1c(C)noc1C |(4.94,-26.84,;4.94,-28.38,;6.27,-29.15,;7.6,-28.38,;8.94,-29.14,;10.26,-28.37,;10.57,-26.87,;9.8,-25.54,;8.27,-25.55,;7.49,-24.22,;8.26,-22.87,;9.81,-22.88,;10.57,-24.21,;12.11,-24.21,;12.1,-22.67,;13.6,-24.61,;13.44,-23.43,;12.09,-26.7,;12.85,-25.35,;12.73,-28.09,;11.6,-29.13,;11.61,-30.68,;10.27,-31.45,;8.94,-30.69,;7.61,-31.47,;6.27,-30.7,;4.94,-31.46,;4.9,-33.01,;6.13,-33.94,;3.43,-33.45,;2.55,-32.19,;3.48,-30.96,;3.03,-29.49,)| Show InChI InChI=1S/C26H26N4O3/c1-14-23(15(2)33-29-14)17-11-19-16(12-22(17)32-6)24-20(13-27-19)28-25(31)30(24)21-10-8-7-9-18(21)26(3,4)5/h7-13H,1-6H3,(H,28,31)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	501	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Binding affinity to BRD4 assessed as inhibition of Alexa Fluor 488 binding after 60 mins by fluorescence anisotropic analysis				Bioorg Med Chem Lett 22: 2968-72 (2012) Article DOI: 10.1016/j.bmcl.2012.02.041 BindingDB Entry DOI: 10.7270/Q2JS9RKN
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