Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Bromodomain-containing protein 4' and Ligand = 'BDBM50200435'   

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))	BDBM50200435 (CHEMBL3897524 | US9763922, Example 203) Show SMILES CC(=O)N1CCc2c(C1)c(Nc1cccc(C)c1)nn2Cc1ccccc1 Show InChI InChI=1S/C22H24N4O/c1-16-7-6-10-19(13-16)23-22-20-15-25(17(2)27)12-11-21(20)26(24-22)14-18-8-4-3-5-9-18/h3-10,13H,11-12,14-15H2,1-2H3,(H,23,24)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.63E+3	n/a	n/a	n/a	n/a	n/a	n/a
GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC. US Patent					Assay Description His/Flag epitope tagged BRD4 BD142-168 was cloned, expressed, and purified to. BRD4 binding and inhibition was assessed by monitoring the engagement ...				US Patent US9763922 (2017) BindingDB Entry DOI: 10.7270/Q23N25G6
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50200435 (CHEMBL3897524 | US9763922, Example 203) Show SMILES CC(=O)N1CCc2c(C1)c(Nc1cccc(C)c1)nn2Cc1ccccc1 Show InChI InChI=1S/C22H24N4O/c1-16-7-6-10-19(13-16)23-22-20-15-25(17(2)27)12-11-21(20)26(24-22)14-18-8-4-3-5-9-18/h3-10,13H,11-12,14-15H2,1-2H3,(H,23,24)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Displacement of biotinylated ligand from recombinant His-tagged BRD4 bromodomain-1 (unknown origin) measured after 10 mins by TR-FRET assay				J Med Chem 59: 10549-10563 (2016) Article DOI: 10.1021/acs.jmedchem.6b01022 BindingDB Entry DOI: 10.7270/Q27083DF
					More data for this Ligand-Target Pair