Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Bromodomain-containing protein 4 [368-440]' and Ligand = 'BDBM249276'   

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 [368-440] (Homo sapiens (Human))	BDBM249276 (US10017501, Compound 1020-12 | US9458145, 1020-12) Show SMILES Cc1cnn(C)c1-c1cc(cc2nc([nH]c12)C1CC1)-c1c(C)noc1C |(.79,-3.53,;2.13,-2.76,;3.59,-3.24,;4.5,-1.99,;3.59,-.75,;4.36,.59,;2.13,-1.22,;.79,-.45,;.79,1.09,;-.54,1.86,;-1.87,1.09,;-1.87,-.45,;-3.02,-1.48,;-2.39,-2.89,;-.86,-2.73,;-.54,-1.22,;-3.16,-4.23,;-4.5,-5,;-3.16,-5.77,;-.54,3.4,;.71,4.3,;2.04,3.53,;.23,5.77,;-1.31,5.77,;-1.79,4.3,;-3.12,3.53,)| Show InChI InChI=1S/C20H21N5O/c1-10-9-21-25(4)19(10)15-7-14(17-11(2)24-26-12(17)3)8-16-18(15)23-20(22-16)13-5-6-13/h7-9,13H,5-6H2,1-4H3,(H,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	69.2	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences Inc US Patent					Assay Description Binding of the two tandem bromodomains, BRD4-1 and BRD4-2, to an acetylated histone H4 peptide was measured using a homogeneous time resolved fluores...				US Patent US10017501 (2018) BindingDB Entry DOI: 10.7270/Q2CV4M3Z
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [368-440] (Homo sapiens (Human))	BDBM249276 (US10017501, Compound 1020-12 | US9458145, 1020-12) Show SMILES Cc1cnn(C)c1-c1cc(cc2nc([nH]c12)C1CC1)-c1c(C)noc1C |(.79,-3.53,;2.13,-2.76,;3.59,-3.24,;4.5,-1.99,;3.59,-.75,;4.36,.59,;2.13,-1.22,;.79,-.45,;.79,1.09,;-.54,1.86,;-1.87,1.09,;-1.87,-.45,;-3.02,-1.48,;-2.39,-2.89,;-.86,-2.73,;-.54,-1.22,;-3.16,-4.23,;-4.5,-5,;-3.16,-5.77,;-.54,3.4,;.71,4.3,;2.04,3.53,;.23,5.77,;-1.31,5.77,;-1.79,4.3,;-3.12,3.53,)| Show InChI InChI=1S/C20H21N5O/c1-10-9-21-25(4)19(10)15-7-14(17-11(2)24-26-12(17)3)8-16-18(15)23-20(22-16)13-5-6-13/h7-9,13H,5-6H2,1-4H3,(H,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	69.2	n/a	n/a	n/a	n/a	7.5	25
Gilead Sciences, Inc. US Patent					Assay Description Binding of the two tandem bromodomains, BRD4-1 and BRD4-2, to an acetylated histone H4 peptide was measured using a homogeneous time resolved fluores...				US Patent US9458145 (2016) BindingDB Entry DOI: 10.7270/Q26Q1W53
					More data for this Ligand-Target Pair