Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Bromodomain-containing protein 4' and Ligand = 'BDBM50526971'   

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))	BDBM50526971 (CHEMBL4570497) Show SMILES Cc1cc(cn(C)c1=O)-c1nc2ccccc2n1C[C@H]1CC[C@H](O)CC1 |r,wU:19.21,wD:22.25,(17.38,-54.83,;16.61,-53.5,;15.07,-53.5,;14.29,-52.17,;15.05,-50.84,;16.58,-50.82,;17.34,-49.48,;17.37,-52.16,;18.91,-52.15,;12.75,-52.18,;11.86,-53.44,;10.39,-52.97,;9.04,-53.75,;7.71,-52.98,;7.71,-51.43,;9.04,-50.66,;10.38,-51.42,;11.84,-50.94,;12.31,-49.47,;11.27,-48.33,;9.76,-48.67,;8.73,-47.52,;9.2,-46.06,;8.16,-44.91,;10.7,-45.73,;11.73,-46.87,)| Show InChI InChI=1S/C21H25N3O2/c1-14-11-16(13-23(2)21(14)26)20-22-18-5-3-4-6-19(18)24(20)12-15-7-9-17(25)10-8-15/h3-6,11,13,15,17,25H,7-10,12H2,1-2H3/t15-,17-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/a
GSK Curated by ChEMBL					Assay Description Displacement of Alexa Fluor 647 labelled ligand from recombinant human N-terminal His6-tagged BRD4 BD1 (1 to 477 residues)/BD2 Y390A mutant incubated...				J Med Chem 63: 714-746 (2020) Article DOI: 10.1021/acs.jmedchem.9b01670 BindingDB Entry DOI: 10.7270/Q2TF01RT
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