Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Bromodomain-containing protein 4' and Ligand = 'BDBM50200455'   

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))	BDBM50200455 (CHEMBL3915504 | US9763922, Example 219) Show SMILES CNC(=O)c1cccc(Nc2nn(CC3CC3)c3CCN(Cc23)C(C)=O)c1 Show InChI InChI=1S/C20H25N5O2/c1-13(26)24-9-8-18-17(12-24)19(23-25(18)11-14-6-7-14)22-16-5-3-4-15(10-16)20(27)21-2/h3-5,10,14H,6-9,11-12H2,1-2H3,(H,21,27)(H,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	>1.05E+4	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))	BDBM50200455 (CHEMBL3915504 | US9763922, Example 219) Show SMILES CNC(=O)c1cccc(Nc2nn(CC3CC3)c3CCN(Cc23)C(C)=O)c1 Show InChI InChI=1S/C20H25N5O2/c1-13(26)24-9-8-18-17(12-24)19(23-25(18)11-14-6-7-14)22-16-5-3-4-15(10-16)20(27)21-2/h3-5,10,14H,6-9,11-12H2,1-2H3,(H,21,27)(H,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+4	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