Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Bromodomain-containing protein 4' and Ligand = 'BDBM50093458'   

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))	BDBM50093458 (CHEMBL3586711) Show SMILES Cc1cc2ccnc(NC[C@H]3CCNC3)c2[nH]c1=O |r| Show InChI InChI=1S/C26H30N6O5/c33-14-19-21(35)22(36)25(37-19)32-15-29-20-23(27-12-10-16-4-2-1-3-5-16)30-26(31-24(20)32)28-13-11-17-6-8-18(34)9-7-17/h1-9,15,19,21-22,25,33-36H,10-14H2,(H2,27,28,30,31)/t19?,21-,22-,25?/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.26E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of I-BET762 from 6His-Thr-BRD4 (1 to 477) BD1 (unknown origin) harboring BD2 Y390A mutant after 30 mins by TR-FRET analysis				J Med Chem 58: 5649-73 (2015) Article DOI: 10.1021/acs.jmedchem.5b00772 BindingDB Entry DOI: 10.7270/Q2PR7XQN
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