Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Bromodomain-containing protein 4' and Ligand = 'BDBM50536987'   

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))	BDBM50536987 (CHEMBL4515491) Show SMILES C(Nc1ccc2nnc(C3CC3)n2n1)c1ccc(cc1)-n1cccn1 Show InChI InChI=1S/C18H17N7/c1-10-20-24(11-1)15-6-2-13(3-7-15)12-19-16-8-9-17-21-22-18(14-4-5-14)25(17)23-16/h1-3,6-11,14H,4-5,12H2,(H,19,23)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.33E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Strasbourg Curated by ChEMBL					Assay Description Inhibition of BRD4 (unknown origin) measured after 2 hrs by TR-FRET assay				Eur J Med Chem 165: 258-272 (2019) Article DOI: 10.1016/j.ejmech.2019.01.010 BindingDB Entry DOI: 10.7270/Q2JS9TZD
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