Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Bromodomain-containing protein 3' and Ligand = 'BDBM50397670'   

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))	BDBM50397670 (CHEMBL2181820) Show SMILES COc1cc2c3n([C@@H](C)c4ccccn4)c(=O)[nH]c3cnc2cc1-c1c(C)noc1C |r,wU:7.7,(68,-36.92,;68,-38.46,;69.33,-39.23,;70.67,-38.46,;72.01,-39.23,;73.35,-38.45,;73.68,-36.93,;72.66,-35.78,;71.15,-36.09,;73.15,-34.32,;72.12,-33.19,;72.6,-31.73,;74.11,-31.41,;75.13,-32.56,;74.65,-34.02,;75.23,-36.78,;76.01,-35.45,;75.86,-38.21,;74.69,-39.24,;74.69,-40.79,;73.35,-41.55,;72.01,-40.79,;70.67,-41.55,;69.33,-40.79,;68,-41.55,;67.84,-43.08,;68.98,-44.11,;66.34,-43.4,;65.56,-42.07,;66.59,-40.93,;66.27,-39.42,)| Show InChI InChI=1S/C23H21N5O3/c1-12-21(14(3)31-27-12)16-9-18-15(10-20(16)30-4)22-19(11-25-18)26-23(29)28(22)13(2)17-7-5-6-8-24-17/h5-11,13H,1-4H3,(H,26,29)/t13-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase 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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