Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Bromodomain-containing protein 4' and Ligand = 'BDBM50441163'   

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))	BDBM50441163 (CHEMBL2430878) Show SMILES COc1ccc-2c(c1)C(=N[C@@H](CC(=O)Nc1cccnc1)c1nnc(C)n-21)c1ccc(Cl)cc1 |r,c:9| Show InChI InChI=1S/C25H21ClN6O2/c1-15-30-31-25-21(13-23(33)28-18-4-3-11-27-14-18)29-24(16-5-7-17(26)8-6-16)20-12-19(34-2)9-10-22(20)32(15)25/h3-12,14,21H,13H2,1-2H3,(H,28,33)/t21-/m0/s1	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 His6-tagged BRD4 (unknown origin) after 60 mins by fluorescence anisotropy binding Assay				J Med Chem 56: 7501-15 (2013) Article DOI: 10.1021/jm401088k BindingDB Entry DOI: 10.7270/Q2SX6FN7
					More data for this Ligand-Target Pair