Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Bromodomain-containing protein 3' and Ligand = 'BDBM50397666'   

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))	BDBM50397666 (CHEMBL2017277) Show SMILES COc1cc2c(NC3CCCCC3)c(cnc2cc1-c1c(C)noc1C)C(N)=O |(22.74,4.14,;22.74,2.6,;24.07,1.83,;25.4,2.6,;26.73,1.83,;28.06,2.61,;28.05,4.15,;26.71,4.91,;26.71,6.45,;25.38,7.21,;24.05,6.44,;24.06,4.9,;25.39,4.13,;29.4,1.85,;29.41,.3,;28.07,-.48,;26.74,.29,;25.4,-.49,;24.07,.28,;22.73,-.48,;22.7,-2.03,;23.93,-2.96,;21.23,-2.47,;20.35,-1.21,;21.28,.02,;20.83,1.49,;30.73,2.63,;32.06,1.86,;30.72,4.17,)| Show InChI InChI=1S/C22H26N4O3/c1-12-20(13(2)29-26-12)16-9-18-15(10-19(16)28-3)21(17(11-24-18)22(23)27)25-14-7-5-4-6-8-14/h9-11,14H,4-8H2,1-3H3,(H2,23,27)(H,24,25)	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 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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