Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Bromodomain-containing protein 4' and Ligand = 'BDBM50443245'   

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))	BDBM50443245 (CHEMBL3087048) Show SMILES Cc1cc(cc(Br)c1O)N=Nc1ccc(cc1)S(=O)(=O)Nc1ccccn1 |w:9.9| Show InChI InChI=1S/C18H15BrN4O3S/c1-12-10-14(11-16(19)18(12)24)22-21-13-5-7-15(8-6-13)27(25,26)23-17-4-2-3-9-20-17/h2-11,24H,1H3,(H,20,23)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.79E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Icahn School of Medicine at Mount Sinai Curated by ChEMBL					Assay Description Displacement of fluorescein-labeled MS574 from recombinant human BRD4 BrD1 after 1 hr by fluorescence anisotropy assay				J Med Chem 56: 9251-64 (2013) Article DOI: 10.1021/jm401334s BindingDB Entry DOI: 10.7270/Q2ZW1NCF
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50443245 (CHEMBL3087048) Show SMILES Cc1cc(cc(Br)c1O)N=Nc1ccc(cc1)S(=O)(=O)Nc1ccccn1 |w:9.9| Show InChI InChI=1S/C18H15BrN4O3S/c1-12-10-14(11-16(19)18(12)24)22-21-13-5-7-15(8-6-13)27(25,26)23-17-4-2-3-9-20-17/h2-11,24H,1H3,(H,20,23)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.48E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Icahn School of Medicine at Mount Sinai Curated by ChEMBL					Assay Description Displacement of fluorescein-labeled MS574 from recombinant human BRD4 BrD2 after 1 hr by fluorescence anisotropy assay				J Med Chem 56: 9251-64 (2013) Article DOI: 10.1021/jm401334s BindingDB Entry DOI: 10.7270/Q2ZW1NCF
					More data for this Ligand-Target Pair