Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Bromodomain-containing protein 4' and Ligand = 'BDBM50536990'   

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))	BDBM50536990 (CHEMBL4548885) Show SMILES CN(Cc1c(C)nn(C2CCS(=O)(=O)C2)c1C)C(=O)CC(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C26H31N3O3S/c1-19-25(20(2)29(27-19)23-14-15-33(31,32)18-23)17-28(3)26(30)16-24(21-10-6-4-7-11-21)22-12-8-5-9-13-22/h4-13,23-24H,14-18H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60E+5	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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