Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Bromodomain-containing protein 3' and Ligand = 'BDBM50397665'   

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 3 (Homo sapiens (Human))	BDBM50397665 (CHEMBL2017282) Show SMILES COc1cc2c3n(-c4ccccc4F)c(=O)[nH]c3cnc2cc1-c1c(C)noc1C |(-6.72,-26.5,;-6.72,-28.04,;-5.38,-28.81,;-4.06,-28.04,;-2.72,-28.8,;-1.39,-28.03,;-1.09,-26.53,;-1.86,-25.19,;-3.39,-25.2,;-4.17,-23.88,;-3.4,-22.53,;-1.85,-22.53,;-1.09,-23.87,;.45,-23.87,;.43,-26.35,;1.19,-25.01,;1.07,-27.75,;-.06,-28.78,;-.05,-30.34,;-1.38,-31.11,;-2.72,-30.35,;-4.05,-31.12,;-5.39,-30.35,;-6.72,-31.12,;-6.76,-32.66,;-5.53,-33.6,;-8.23,-33.11,;-9.11,-31.85,;-8.18,-30.62,;-8.63,-29.15,)| Show InChI InChI=1S/C22H17FN4O3/c1-11-20(12(2)30-26-11)14-8-16-13(9-19(14)29-3)21-17(10-24-16)25-22(28)27(21)18-7-5-4-6-15(18)23/h4-10H,1-3H3,(H,25,28)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	631	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Binding affinity to BRD3 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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