Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Bromodomain-containing protein 4 [75-147]' and Ligand = 'BDBM249296'   

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 [75-147] (Homo sapiens (Human))	BDBM249296 (US10017501, Compound 1020-96 | US9458145, 1020-96) Show SMILES Cc1n[nH]c(C)c1-c1cc(cc2nc(N)[nH]c12)-c1c(C)noc1C |(.13,-4.3,;1.46,-3.53,;2.92,-4.01,;3.83,-2.76,;2.92,-1.52,;3.69,-.18,;1.46,-1.99,;.13,-1.22,;.13,.32,;-1.21,1.09,;-2.54,.32,;-2.54,-1.22,;-3.69,-2.25,;-3.06,-3.66,;-3.83,-5,;-1.53,-3.5,;-1.21,-1.99,;-1.21,2.63,;-2.45,3.53,;-3.79,2.76,;-1.98,5,;-.44,5,;.04,3.53,;1.37,2.76,)| Show InChI InChI=1S/C17H18N6O/c1-7-14(8(2)22-21-7)12-5-11(15-9(3)23-24-10(15)4)6-13-16(12)20-17(18)19-13/h5-6H,1-4H3,(H,21,22)(H3,18,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	53.7	n/a	n/a	n/a	n/a	7.5	25
Gilead Sciences, Inc. US Patent					Assay Description Binding of the bromodomain BRD4-I to an acetylated histone H4 peptide was measured using a bead-based Amplified Luminescent Proximity Homogeneous Ass...				US Patent US9458145 (2016) BindingDB Entry DOI: 10.7270/Q26Q1W53
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [75-147] (Homo sapiens (Human))	BDBM249296 (US10017501, Compound 1020-96 | US9458145, 1020-96) Show SMILES Cc1n[nH]c(C)c1-c1cc(cc2nc(N)[nH]c12)-c1c(C)noc1C |(.13,-4.3,;1.46,-3.53,;2.92,-4.01,;3.83,-2.76,;2.92,-1.52,;3.69,-.18,;1.46,-1.99,;.13,-1.22,;.13,.32,;-1.21,1.09,;-2.54,.32,;-2.54,-1.22,;-3.69,-2.25,;-3.06,-3.66,;-3.83,-5,;-1.53,-3.5,;-1.21,-1.99,;-1.21,2.63,;-2.45,3.53,;-3.79,2.76,;-1.98,5,;-.44,5,;.04,3.53,;1.37,2.76,)| Show InChI InChI=1S/C17H18N6O/c1-7-14(8(2)22-21-7)12-5-11(15-9(3)23-24-10(15)4)6-13-16(12)20-17(18)19-13/h5-6H,1-4H3,(H,21,22)(H3,18,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	276	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 [75-147] (Homo sapiens (Human))	BDBM249296 (US10017501, Compound 1020-96 | US9458145, 1020-96) Show SMILES Cc1n[nH]c(C)c1-c1cc(cc2nc(N)[nH]c12)-c1c(C)noc1C |(.13,-4.3,;1.46,-3.53,;2.92,-4.01,;3.83,-2.76,;2.92,-1.52,;3.69,-.18,;1.46,-1.99,;.13,-1.22,;.13,.32,;-1.21,1.09,;-2.54,.32,;-2.54,-1.22,;-3.69,-2.25,;-3.06,-3.66,;-3.83,-5,;-1.53,-3.5,;-1.21,-1.99,;-1.21,2.63,;-2.45,3.53,;-3.79,2.76,;-1.98,5,;-.44,5,;.04,3.53,;1.37,2.76,)| Show InChI InChI=1S/C17H18N6O/c1-7-14(8(2)22-21-7)12-5-11(15-9(3)23-24-10(15)4)6-13-16(12)20-17(18)19-13/h5-6H,1-4H3,(H,21,22)(H3,18,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	276	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