Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Bromodomain-containing protein 4 [342-460]' and Ligand = 'BDBM318613'   

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))	BDBM318613 (7-(3,5-Dimethylisoxazol-4-yl)-2-methyl-4-pyridin-2...) Show SMILES Cc1noc(C)c1-c1ccc2nc(C)n3[C@H](COc1c23)c1ccccn1 |r,wD:15.23,(-3.44,-2.04,;-2.67,-3.37,;-3.57,-4.62,;-2.67,-5.87,;-1.2,-5.39,;.13,-6.16,;-1.2,-3.85,;.13,-3.08,;1.47,-3.85,;2.8,-3.08,;2.8,-1.54,;3.57,-.21,;2.8,1.13,;3.57,2.46,;1.47,.77,;.13,1.54,;-1.2,.77,;-1.2,-.77,;.13,-1.54,;1.47,-.77,;.13,3.08,;1.47,3.85,;1.47,5.39,;.13,6.16,;-1.2,5.39,;-1.2,3.85,)| Show InChI InChI=1S/C20H18N4O2/c1-11-18(12(2)26-23-11)14-7-8-16-19-20(14)25-10-17(24(19)13(3)22-16)15-6-4-5-9-21-15/h4-9,17H,10H2,1-3H3/t17-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Holdings Corporation; Incyte Corporation US Patent					Assay Description BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 40 μL for BD1 and 60 μL for BD2. Inhib...				US Patent US10464947 (2019) BindingDB Entry DOI: 10.7270/Q2TT4TB8
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [342-460] (Homo sapiens (Human))	BDBM318613 (7-(3,5-Dimethylisoxazol-4-yl)-2-methyl-4-pyridin-2...) Show SMILES Cc1noc(C)c1-c1ccc2nc(C)n3[C@H](COc1c23)c1ccccn1 |r,wD:15.23,(-3.44,-2.04,;-2.67,-3.37,;-3.57,-4.62,;-2.67,-5.87,;-1.2,-5.39,;.13,-6.16,;-1.2,-3.85,;.13,-3.08,;1.47,-3.85,;2.8,-3.08,;2.8,-1.54,;3.57,-.21,;2.8,1.13,;3.57,2.46,;1.47,.77,;.13,1.54,;-1.2,.77,;-1.2,-.77,;.13,-1.54,;1.47,-.77,;.13,3.08,;1.47,3.85,;1.47,5.39,;.13,6.16,;-1.2,5.39,;-1.2,3.85,)| Show InChI InChI=1S/C20H18N4O2/c1-11-18(12(2)26-23-11)14-7-8-16-19-20(14)25-10-17(24(19)13(3)22-16)15-6-4-5-9-21-15/h4-9,17H,10H2,1-3H3/t17-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	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 US9624241 (2017) BindingDB Entry DOI: 10.7270/Q2NZ89QB
					More data for this Ligand-Target Pair