null

SMILES: Cc1n[nH]c(C)c1-c1cc(cc2[nH]c(NCC3CC3)nc12)-c1c(C)noc1C

InChI Key: InChIKey=CBKDXQMZHYYTEI-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 249289   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM249289 (US10017501, Compound 1020-79 | US9458145, 1020-79) Show SMILES Cc1n[nH]c(C)c1-c1cc(cc2[nH]c(NCC3CC3)nc12)-c1c(C)noc1C |(1.95,-2.87,;3.28,-2.1,;4.75,-2.57,;5.65,-1.33,;4.75,-.08,;5.52,1.25,;3.28,-.56,;1.95,.21,;1.95,1.75,;.61,2.52,;-.72,1.75,;-.72,.21,;-1.86,-.82,;-1.24,-2.22,;-2.01,-3.56,;-3.55,-3.56,;-4.32,-4.89,;-5.65,-5.66,;-4.32,-6.43,;.29,-2.06,;.61,-.56,;.61,4.06,;-.63,4.97,;-1.97,4.2,;-.16,6.43,;1.38,6.43,;1.86,4.97,;3.19,4.2,)| Show InChI InChI=1S/C21H24N6O/c1-10-18(11(2)26-25-10)16-7-15(19-12(3)27-28-13(19)4)8-17-20(16)24-21(23-17)22-9-14-5-6-14/h7-8,14H,5-6,9H2,1-4H3,(H,25,26)(H2,22,23,24)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	161	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
Bromodomain-containing protein 4 [368-440] (Homo sapiens (Human))	BDBM249289 (US10017501, Compound 1020-79 | US9458145, 1020-79) Show SMILES Cc1n[nH]c(C)c1-c1cc(cc2[nH]c(NCC3CC3)nc12)-c1c(C)noc1C |(1.95,-2.87,;3.28,-2.1,;4.75,-2.57,;5.65,-1.33,;4.75,-.08,;5.52,1.25,;3.28,-.56,;1.95,.21,;1.95,1.75,;.61,2.52,;-.72,1.75,;-.72,.21,;-1.86,-.82,;-1.24,-2.22,;-2.01,-3.56,;-3.55,-3.56,;-4.32,-4.89,;-5.65,-5.66,;-4.32,-6.43,;.29,-2.06,;.61,-.56,;.61,4.06,;-.63,4.97,;-1.97,4.2,;-.16,6.43,;1.38,6.43,;1.86,4.97,;3.19,4.2,)| Show InChI InChI=1S/C21H24N6O/c1-10-18(11(2)26-25-10)16-7-15(19-12(3)27-28-13(19)4)8-17-20(16)24-21(23-17)22-9-14-5-6-14/h7-8,14H,5-6,9H2,1-4H3,(H,25,26)(H2,22,23,24)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	87.2	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
Bromodomain-containing protein 4 [368-440] (Homo sapiens (Human))	BDBM249289 (US10017501, Compound 1020-79 | US9458145, 1020-79) Show SMILES Cc1n[nH]c(C)c1-c1cc(cc2[nH]c(NCC3CC3)nc12)-c1c(C)noc1C |(1.95,-2.87,;3.28,-2.1,;4.75,-2.57,;5.65,-1.33,;4.75,-.08,;5.52,1.25,;3.28,-.56,;1.95,.21,;1.95,1.75,;.61,2.52,;-.72,1.75,;-.72,.21,;-1.86,-.82,;-1.24,-2.22,;-2.01,-3.56,;-3.55,-3.56,;-4.32,-4.89,;-5.65,-5.66,;-4.32,-6.43,;.29,-2.06,;.61,-.56,;.61,4.06,;-.63,4.97,;-1.97,4.2,;-.16,6.43,;1.38,6.43,;1.86,4.97,;3.19,4.2,)| Show InChI InChI=1S/C21H24N6O/c1-10-18(11(2)26-25-10)16-7-15(19-12(3)27-28-13(19)4)8-17-20(16)24-21(23-17)22-9-14-5-6-14/h7-8,14H,5-6,9H2,1-4H3,(H,25,26)(H2,22,23,24)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	87.2	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 [75-147] (Homo sapiens (Human))	BDBM249289 (US10017501, Compound 1020-79 | US9458145, 1020-79) Show SMILES Cc1n[nH]c(C)c1-c1cc(cc2[nH]c(NCC3CC3)nc12)-c1c(C)noc1C |(1.95,-2.87,;3.28,-2.1,;4.75,-2.57,;5.65,-1.33,;4.75,-.08,;5.52,1.25,;3.28,-.56,;1.95,.21,;1.95,1.75,;.61,2.52,;-.72,1.75,;-.72,.21,;-1.86,-.82,;-1.24,-2.22,;-2.01,-3.56,;-3.55,-3.56,;-4.32,-4.89,;-5.65,-5.66,;-4.32,-6.43,;.29,-2.06,;.61,-.56,;.61,4.06,;-.63,4.97,;-1.97,4.2,;-.16,6.43,;1.38,6.43,;1.86,4.97,;3.19,4.2,)| Show InChI InChI=1S/C21H24N6O/c1-10-18(11(2)26-25-10)16-7-15(19-12(3)27-28-13(19)4)8-17-20(16)24-21(23-17)22-9-14-5-6-14/h7-8,14H,5-6,9H2,1-4H3,(H,25,26)(H2,22,23,24)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	161	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))	BDBM249289 (US10017501, Compound 1020-79 | US9458145, 1020-79) Show SMILES Cc1n[nH]c(C)c1-c1cc(cc2[nH]c(NCC3CC3)nc12)-c1c(C)noc1C |(1.95,-2.87,;3.28,-2.1,;4.75,-2.57,;5.65,-1.33,;4.75,-.08,;5.52,1.25,;3.28,-.56,;1.95,.21,;1.95,1.75,;.61,2.52,;-.72,1.75,;-.72,.21,;-1.86,-.82,;-1.24,-2.22,;-2.01,-3.56,;-3.55,-3.56,;-4.32,-4.89,;-5.65,-5.66,;-4.32,-6.43,;.29,-2.06,;.61,-.56,;.61,4.06,;-.63,4.97,;-1.97,4.2,;-.16,6.43,;1.38,6.43,;1.86,4.97,;3.19,4.2,)| Show InChI InChI=1S/C21H24N6O/c1-10-18(11(2)26-25-10)16-7-15(19-12(3)27-28-13(19)4)8-17-20(16)24-21(23-17)22-9-14-5-6-14/h7-8,14H,5-6,9H2,1-4H3,(H,25,26)(H2,22,23,24)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	33.6	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