Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Bromodomain-containing protein 2' and Ligand = 'BDBM50380678'   

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 2 (Homo sapiens (Human))	BDBM50380678 (CHEMBL2017285) Show SMILES COc1cc2c3n(Cc4ccccc4)c(=O)[nH]c3cnc2cc1-c1c(C)noc1C |(31.17,-25.51,;31.17,-27.05,;32.5,-27.82,;33.83,-27.05,;35.16,-27.81,;36.49,-27.04,;36.8,-25.54,;36.03,-24.21,;36.8,-22.87,;38.33,-22.88,;39.1,-21.55,;38.33,-20.21,;36.78,-20.22,;36.02,-21.55,;38.32,-25.37,;39.08,-24.02,;38.96,-26.76,;37.83,-27.8,;37.84,-29.35,;36.5,-30.12,;35.17,-29.36,;33.83,-30.14,;32.5,-29.37,;31.16,-30.13,;31.13,-31.68,;32.36,-32.61,;29.66,-32.12,;28.78,-30.86,;29.71,-29.63,;29.26,-28.16,)| Show InChI InChI=1S/C23H20N4O3/c1-13-21(14(2)30-26-13)17-9-18-16(10-20(17)29-3)22-19(11-24-18)25-23(28)27(22)12-15-7-5-4-6-8-15/h4-11H,12H2,1-3H3,(H,25,28)	PDB KEGG UniProtKB/SwissProt B.MOAD 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 human BRD2 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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