Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Bromodomain-containing protein 4 [342-460]' and Ligand = 'BDBM50158618'   

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 [342-460] (Homo sapiens (Human))	BDBM50158618 (CHEMBL3787341 | US9850257, Example 11) Show SMILES Cc1noc(C)c1-c1ccc2c3c1OCC(c1cccnc1)n3n(C)c2=O |(1.14,-4.07,;-.04,-4.46,;-.51,-5.94,;-2.07,-5.95,;-2.55,-4.47,;-3.73,-4.08,;-1.3,-3.58,;-1.3,-2.02,;-2.63,-1.27,;-2.63,.25,;-1.3,1,;,.25,;,-1.27,;1.32,-2.02,;2.65,-1.27,;2.65,.25,;3.99,1.03,;5.34,.26,;6.68,1.04,;6.67,2.59,;5.32,3.36,;3.98,2.58,;1.32,1,;.93,2.51,;1.69,3.49,;-1,2.53,;-1.79,3.5,)| Show InChI InChI=1S/C20H18N4O3/c1-11-17(12(2)27-22-11)14-6-7-15-18-19(14)26-10-16(13-5-4-8-21-9-13)24(18)23(3)20(15)25/h4-9,16H,10H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<200	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation; Incyte Holdings Corporation US Patent					Assay Description BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 20 μL for BD1 and 40 μL for BD2. Inhib...				US Patent US9850257 (2017) BindingDB Entry DOI: 10.7270/Q2CF9SDT
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