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Compile Data Set for Download or QSAR

Found 44 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 1676   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Bromodomain-containing protein 4 [368-440]


(Homo sapiens (Human))
BDBM333405
PNG
(5-(2,4-Difluorophenoxy)-6-(6-methyl-7-oxo-6,7-dihy...)
Show SMILES Cn1cc(-c2cc3[nH]c(=O)[nH]c3cc2Oc2ccc(F)cc2F)c2cc[nH]c2c1=O
Show InChI InChI=1S/C21H14F2N4O3/c1-27-9-13(11-4-5-24-19(11)20(27)28)12-7-15-16(26-21(29)25-15)8-18(12)30-17-3-2-10(22)6-14(17)23/h2-9,24H,1H3,(H2,25,26,29)
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Incyte Corporation

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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 US9737516 (2017)


BindingDB Entry DOI: 10.7270/Q2154K40
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [368-440]


(Homo sapiens (Human))
BDBM333426
PNG
(Ammonium 3-[5-(cyclobutylmethoxy)-6-(6-methyl-7-ox...)
Show SMILES Cn1cc(-c2cc3[nH]c(CCC([O-])=O)nc3cc2OCC2CCC2)c2cc[nH]c2c1=O
Show InChI InChI=1S/C23H24N4O4/c1-27-11-16(14-7-8-24-22(14)23(27)30)15-9-17-18(26-20(25-17)5-6-21(28)29)10-19(15)31-12-13-3-2-4-13/h7-11,13,24H,2-6,12H2,1H3,(H,25,26)(H,28,29)/p-1
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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 US9737516 (2017)


BindingDB Entry DOI: 10.7270/Q2154K40
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [75-147]


(Homo sapiens (Human))
BDBM333406
PNG
(6-(2,4-Difluorophenoxy)-1-methyl-5-(6-methyl-7-oxo...)
Show SMILES Cn1c2cc(Oc3ccc(F)cc3F)c(cc2[nH]c1=O)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C22H16F2N4O3/c1-27-10-14(12-5-6-25-20(12)21(27)29)13-8-16-17(28(2)22(30)26-16)9-19(13)31-18-4-3-11(23)7-15(18)24/h3-10,25H,1-2H3,(H,26,30)
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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 US9737516 (2017)


BindingDB Entry DOI: 10.7270/Q2154K40
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [368-440]


(Homo sapiens (Human))
BDBM333406
PNG
(6-(2,4-Difluorophenoxy)-1-methyl-5-(6-methyl-7-oxo...)
Show SMILES Cn1c2cc(Oc3ccc(F)cc3F)c(cc2[nH]c1=O)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C22H16F2N4O3/c1-27-10-14(12-5-6-25-20(12)21(27)29)13-8-16-17(28(2)22(30)26-16)9-19(13)31-18-4-3-11(23)7-15(18)24/h3-10,25H,1-2H3,(H,26,30)
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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 US9737516 (2017)


BindingDB Entry DOI: 10.7270/Q2154K40
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [75-147]


(Homo sapiens (Human))
BDBM333407
PNG
(4-[6-(2,4-Difluorophenoxy)-1-methyl-1H-benzimidazo...)
Show SMILES Cn1cnc2cc(c(Oc3ccc(F)cc3F)cc12)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C22H16F2N4O2/c1-27-10-15(13-5-6-25-21(13)22(27)29)14-8-17-18(28(2)11-26-17)9-20(14)30-19-4-3-12(23)7-16(19)24/h3-11,25H,1-2H3
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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 US9737516 (2017)


BindingDB Entry DOI: 10.7270/Q2154K40
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [368-440]


(Homo sapiens (Human))
BDBM333407
PNG
(4-[6-(2,4-Difluorophenoxy)-1-methyl-1H-benzimidazo...)
Show SMILES Cn1cnc2cc(c(Oc3ccc(F)cc3F)cc12)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C22H16F2N4O2/c1-27-10-15(13-5-6-25-21(13)22(27)29)14-8-17-18(28(2)11-26-17)9-20(14)30-19-4-3-12(23)7-16(19)24/h3-11,25H,1-2H3
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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 US9737516 (2017)


BindingDB Entry DOI: 10.7270/Q2154K40
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [75-147]


(Homo sapiens (Human))
BDBM333408
PNG
(4-[6-(2,4-Difluorophenoxy)-1,2-dimethyl-1H-benzimi...)
Show SMILES Cc1nc2cc(c(Oc3ccc(F)cc3F)cc2n1C)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C23H18F2N4O2/c1-12-27-18-9-15(16-11-28(2)23(30)22-14(16)6-7-26-22)21(10-19(18)29(12)3)31-20-5-4-13(24)8-17(20)25/h4-11,26H,1-3H3
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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 US9737516 (2017)


BindingDB Entry DOI: 10.7270/Q2154K40
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [368-440]


(Homo sapiens (Human))
BDBM333408
PNG
(4-[6-(2,4-Difluorophenoxy)-1,2-dimethyl-1H-benzimi...)
Show SMILES Cc1nc2cc(c(Oc3ccc(F)cc3F)cc2n1C)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C23H18F2N4O2/c1-12-27-18-9-15(16-11-28(2)23(30)22-14(16)6-7-26-22)21(10-19(18)29(12)3)31-20-5-4-13(24)8-17(20)25/h4-11,26H,1-3H3
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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 US9737516 (2017)


BindingDB Entry DOI: 10.7270/Q2154K40
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [75-147]


(Homo sapiens (Human))
BDBM333409
PNG
(4-[5-(2,4-Difluorophenoxy)-1H-benzimidazol-6-yl]-6...)
Show SMILES Cn1cc(-c2cc3[nH]cnc3cc2Oc2ccc(F)cc2F)c2cc[nH]c2c1=O
Show InChI InChI=1S/C21H14F2N4O2/c1-27-9-14(12-4-5-24-20(12)21(27)28)13-7-16-17(26-10-25-16)8-19(13)29-18-3-2-11(22)6-15(18)23/h2-10,24H,1H3,(H,25,26)
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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 US9737516 (2017)


BindingDB Entry DOI: 10.7270/Q2154K40
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [368-440]


(Homo sapiens (Human))
BDBM333409
PNG
(4-[5-(2,4-Difluorophenoxy)-1H-benzimidazol-6-yl]-6...)
Show SMILES Cn1cc(-c2cc3[nH]cnc3cc2Oc2ccc(F)cc2F)c2cc[nH]c2c1=O
Show InChI InChI=1S/C21H14F2N4O2/c1-27-9-14(12-4-5-24-20(12)21(27)28)13-7-16-17(26-10-25-16)8-19(13)29-18-3-2-11(22)6-15(18)23/h2-10,24H,1H3,(H,25,26)
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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 US9737516 (2017)


BindingDB Entry DOI: 10.7270/Q2154K40
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [75-147]


(Homo sapiens (Human))
BDBM333410
PNG
(4-[5-(2,4-Difluorophenoxy)-2-methyl-1H-benzimidazo...)
Show SMILES Cc1nc2cc(Oc3ccc(F)cc3F)c(cc2[nH]1)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C22H16F2N4O2/c1-11-26-17-8-14(15-10-28(2)22(29)21-13(15)5-6-25-21)20(9-18(17)27-11)30-19-4-3-12(23)7-16(19)24/h3-10,25H,1-2H3,(H,26,27)
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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 US9737516 (2017)


BindingDB Entry DOI: 10.7270/Q2154K40
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [368-440]


(Homo sapiens (Human))
BDBM333410
PNG
(4-[5-(2,4-Difluorophenoxy)-2-methyl-1H-benzimidazo...)
Show SMILES Cc1nc2cc(Oc3ccc(F)cc3F)c(cc2[nH]1)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C22H16F2N4O2/c1-11-26-17-8-14(15-10-28(2)22(29)21-13(15)5-6-25-21)20(9-18(17)27-11)30-19-4-3-12(23)7-16(19)24/h3-10,25H,1-2H3,(H,26,27)
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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 US9737516 (2017)


BindingDB Entry DOI: 10.7270/Q2154K40
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [75-147]


(Homo sapiens (Human))
BDBM333405
PNG
(5-(2,4-Difluorophenoxy)-6-(6-methyl-7-oxo-6,7-dihy...)
Show SMILES Cn1cc(-c2cc3[nH]c(=O)[nH]c3cc2Oc2ccc(F)cc2F)c2cc[nH]c2c1=O
Show InChI InChI=1S/C21H14F2N4O3/c1-27-9-13(11-4-5-24-19(11)20(27)28)12-7-15-16(26-21(29)25-15)8-18(12)30-17-3-2-10(22)6-14(17)23/h2-9,24H,1H3,(H2,25,26,29)
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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 US9737516 (2017)


BindingDB Entry DOI: 10.7270/Q2154K40
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [75-147]


(Homo sapiens (Human))
BDBM333426
PNG
(Ammonium 3-[5-(cyclobutylmethoxy)-6-(6-methyl-7-ox...)
Show SMILES Cn1cc(-c2cc3[nH]c(CCC([O-])=O)nc3cc2OCC2CCC2)c2cc[nH]c2c1=O
Show InChI InChI=1S/C23H24N4O4/c1-27-11-16(14-7-8-24-22(14)23(27)30)15-9-17-18(26-20(25-17)5-6-21(28)29)10-19(15)31-12-13-3-2-4-13/h7-11,13,24H,2-6,12H2,1H3,(H,25,26)(H,28,29)/p-1
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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 US9737516 (2017)


BindingDB Entry DOI: 10.7270/Q2154K40
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [368-440]


(Homo sapiens (Human))
BDBM333411
PNG
(5-(2,4-Difluorophenoxy)-1,3-dimethyl-6-(6-methyl-7...)
Show SMILES Cn1c2cc(Oc3ccc(F)cc3F)c(cc2n(C)c1=O)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C23H18F2N4O3/c1-27-11-15(13-6-7-26-21(13)22(27)30)14-9-17-18(29(3)23(31)28(17)2)10-20(14)32-19-5-4-12(24)8-16(19)25/h4-11,26H,1-3H3
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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 US9737516 (2017)


BindingDB Entry DOI: 10.7270/Q2154K40
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [75-147]


(Homo sapiens (Human))
BDBM333412
PNG
(4-(5-(2,4-difluorophenoxy)-1H-benzo[d][1,2,3]triaz...)
Show SMILES Cn1cc(-c2cc3[nH]nnc3cc2Oc2ccc(F)cc2F)c2cc[nH]c2c1=O
Show InChI InChI=1S/C20H13F2N5O2/c1-27-9-13(11-4-5-23-19(11)20(27)28)12-7-15-16(25-26-24-15)8-18(12)29-17-3-2-10(21)6-14(17)22/h2-9,23H,1H3,(H,24,25,26)
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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 US9737516 (2017)


BindingDB Entry DOI: 10.7270/Q2154K40
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [368-440]


(Homo sapiens (Human))
BDBM333412
PNG
(4-(5-(2,4-difluorophenoxy)-1H-benzo[d][1,2,3]triaz...)
Show SMILES Cn1cc(-c2cc3[nH]nnc3cc2Oc2ccc(F)cc2F)c2cc[nH]c2c1=O
Show InChI InChI=1S/C20H13F2N5O2/c1-27-9-13(11-4-5-23-19(11)20(27)28)12-7-15-16(25-26-24-15)8-18(12)29-17-3-2-10(21)6-14(17)22/h2-9,23H,1H3,(H,24,25,26)
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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 US9737516 (2017)


BindingDB Entry DOI: 10.7270/Q2154K40
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [75-147]


(Homo sapiens (Human))
BDBM333413
PNG
(4-[6-(2,4-Difluorophenoxy)-1H-benzimidazol-5-yl]-6...)
Show SMILES Cn1cc(-c2cc3[nH]cnc3cc2Oc2ccc(F)cc2F)c2cn[nH]c2c1=O
Show InChI InChI=1S/C20H13F2N5O2/c1-27-8-13(12-7-25-26-19(12)20(27)28)11-5-15-16(24-9-23-15)6-18(11)29-17-3-2-10(21)4-14(17)22/h2-9H,1H3,(H,23,24)(H,25,26)
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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 US9737516 (2017)


BindingDB Entry DOI: 10.7270/Q2154K40
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [368-440]


(Homo sapiens (Human))
BDBM333413
PNG
(4-[6-(2,4-Difluorophenoxy)-1H-benzimidazol-5-yl]-6...)
Show SMILES Cn1cc(-c2cc3[nH]cnc3cc2Oc2ccc(F)cc2F)c2cn[nH]c2c1=O
Show InChI InChI=1S/C20H13F2N5O2/c1-27-8-13(12-7-25-26-19(12)20(27)28)11-5-15-16(24-9-23-15)6-18(11)29-17-3-2-10(21)4-14(17)22/h2-9H,1H3,(H,23,24)(H,25,26)
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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 US9737516 (2017)


BindingDB Entry DOI: 10.7270/Q2154K40
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [75-147]


(Homo sapiens (Human))
BDBM333414
PNG
(4-[6-(2,4-Difluorophenoxy)-1,3-dimethyl-2-oxo-2,3-...)
Show SMILES Cn1c2cc(Oc3ccc(F)cc3F)c(cc2n(C)c1=O)-c1cn(C)c(=O)c2[nH]ncc12
Show InChI InChI=1S/C22H17F2N5O3/c1-27-10-14(13-9-25-26-20(13)21(27)30)12-7-16-17(29(3)22(31)28(16)2)8-19(12)32-18-5-4-11(23)6-15(18)24/h4-10H,1-3H3,(H,25,26)
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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 US9737516 (2017)


BindingDB Entry DOI: 10.7270/Q2154K40
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [368-440]


(Homo sapiens (Human))
BDBM333414
PNG
(4-[6-(2,4-Difluorophenoxy)-1,3-dimethyl-2-oxo-2,3-...)
Show SMILES Cn1c2cc(Oc3ccc(F)cc3F)c(cc2n(C)c1=O)-c1cn(C)c(=O)c2[nH]ncc12
Show InChI InChI=1S/C22H17F2N5O3/c1-27-10-14(13-9-25-26-20(13)21(27)30)12-7-16-17(29(3)22(31)28(16)2)8-19(12)32-18-5-4-11(23)6-15(18)24/h4-10H,1-3H3,(H,25,26)
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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 US9737516 (2017)


BindingDB Entry DOI: 10.7270/Q2154K40
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [75-147]


(Homo sapiens (Human))
BDBM333415
PNG
(4-[5-(Cyclobutylmethoxy)-1H-benzimidazol-6-yl]-6-m...)
Show SMILES Cn1cc(-c2cc3NCNc3cc2OCC2CCC2)c2cc[nH]c2c1=O
Show InChI InChI=1S/C20H22N4O2/c1-24-9-15(13-5-6-21-19(13)20(24)25)14-7-16-17(23-11-22-16)8-18(14)26-10-12-3-2-4-12/h5-9,12,21-23H,2-4,10-11H2,1H3
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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 US9737516 (2017)


BindingDB Entry DOI: 10.7270/Q2154K40
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [368-440]


(Homo sapiens (Human))
BDBM333415
PNG
(4-[5-(Cyclobutylmethoxy)-1H-benzimidazol-6-yl]-6-m...)
Show SMILES Cn1cc(-c2cc3NCNc3cc2OCC2CCC2)c2cc[nH]c2c1=O
Show InChI InChI=1S/C20H22N4O2/c1-24-9-15(13-5-6-21-19(13)20(24)25)14-7-16-17(23-11-22-16)8-18(14)26-10-12-3-2-4-12/h5-9,12,21-23H,2-4,10-11H2,1H3
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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 US9737516 (2017)


BindingDB Entry DOI: 10.7270/Q2154K40
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [75-147]


(Homo sapiens (Human))
BDBM333416
PNG
(4-[5-(Cyclobutylmethoxy)-1-ethyl-1H-benzimidazol-6...)
Show SMILES CCn1cnc2cc(OCC3CCC3)c(cc12)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C22H24N4O2/c1-3-26-13-24-18-10-20(28-12-14-5-4-6-14)16(9-19(18)26)17-11-25(2)22(27)21-15(17)7-8-23-21/h7-11,13-14,23H,3-6,12H2,1-2H3
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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 US9737516 (2017)


BindingDB Entry DOI: 10.7270/Q2154K40
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [368-440]


(Homo sapiens (Human))
BDBM333416
PNG
(4-[5-(Cyclobutylmethoxy)-1-ethyl-1H-benzimidazol-6...)
Show SMILES CCn1cnc2cc(OCC3CCC3)c(cc12)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C22H24N4O2/c1-3-26-13-24-18-10-20(28-12-14-5-4-6-14)16(9-19(18)26)17-11-25(2)22(27)21-15(17)7-8-23-21/h7-11,13-14,23H,3-6,12H2,1-2H3
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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 US9737516 (2017)


BindingDB Entry DOI: 10.7270/Q2154K40
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [75-147]


(Homo sapiens (Human))
BDBM333416
PNG
(4-[5-(Cyclobutylmethoxy)-1-ethyl-1H-benzimidazol-6...)
Show SMILES CCn1cnc2cc(OCC3CCC3)c(cc12)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C22H24N4O2/c1-3-26-13-24-18-10-20(28-12-14-5-4-6-14)16(9-19(18)26)17-11-25(2)22(27)21-15(17)7-8-23-21/h7-11,13-14,23H,3-6,12H2,1-2H3
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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 US9737516 (2017)


BindingDB Entry DOI: 10.7270/Q2154K40
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [368-440]


(Homo sapiens (Human))
BDBM333416
PNG
(4-[5-(Cyclobutylmethoxy)-1-ethyl-1H-benzimidazol-6...)
Show SMILES CCn1cnc2cc(OCC3CCC3)c(cc12)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C22H24N4O2/c1-3-26-13-24-18-10-20(28-12-14-5-4-6-14)16(9-19(18)26)17-11-25(2)22(27)21-15(17)7-8-23-21/h7-11,13-14,23H,3-6,12H2,1-2H3
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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 US9737516 (2017)


BindingDB Entry DOI: 10.7270/Q2154K40
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [75-147]


(Homo sapiens (Human))
BDBM333418
PNG
(4-[5-(Cyclobutylmethoxy)-1-methyl-1H-benzimidazol-...)
Show SMILES Cn1cnc2cc(OCC3CCC3)c(cc12)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C21H22N4O2/c1-24-10-16(14-6-7-22-20(14)21(24)26)15-8-18-17(23-12-25(18)2)9-19(15)27-11-13-4-3-5-13/h6-10,12-13,22H,3-5,11H2,1-2H3
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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 US9737516 (2017)


BindingDB Entry DOI: 10.7270/Q2154K40
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [368-440]


(Homo sapiens (Human))
BDBM333418
PNG
(4-[5-(Cyclobutylmethoxy)-1-methyl-1H-benzimidazol-...)
Show SMILES Cn1cnc2cc(OCC3CCC3)c(cc12)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C21H22N4O2/c1-24-10-16(14-6-7-22-20(14)21(24)26)15-8-18-17(23-12-25(18)2)9-19(15)27-11-13-4-3-5-13/h6-10,12-13,22H,3-5,11H2,1-2H3
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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 US9737516 (2017)


BindingDB Entry DOI: 10.7270/Q2154K40
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [75-147]


(Homo sapiens (Human))
BDBM333418
PNG
(4-[5-(Cyclobutylmethoxy)-1-methyl-1H-benzimidazol-...)
Show SMILES Cn1cnc2cc(OCC3CCC3)c(cc12)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C21H22N4O2/c1-24-10-16(14-6-7-22-20(14)21(24)26)15-8-18-17(23-12-25(18)2)9-19(15)27-11-13-4-3-5-13/h6-10,12-13,22H,3-5,11H2,1-2H3
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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 US9737516 (2017)


BindingDB Entry DOI: 10.7270/Q2154K40
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [368-440]


(Homo sapiens (Human))
BDBM333418
PNG
(4-[5-(Cyclobutylmethoxy)-1-methyl-1H-benzimidazol-...)
Show SMILES Cn1cnc2cc(OCC3CCC3)c(cc12)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C21H22N4O2/c1-24-10-16(14-6-7-22-20(14)21(24)26)15-8-18-17(23-12-25(18)2)9-19(15)27-11-13-4-3-5-13/h6-10,12-13,22H,3-5,11H2,1-2H3
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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 US9737516 (2017)


BindingDB Entry DOI: 10.7270/Q2154K40
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [368-440]


(Homo sapiens (Human))
BDBM333420
PNG
(4-[5-(Cyclobutylmethoxy)-1-benzyl-1H-benzimidazol-...)
Show SMILES Cn1cc(-c2cc3n(Cc4ccccc4)cnc3cc2OCC2CCC2)c2cc[nH]c2c1=O
Show InChI InChI=1S/C27H26N4O2/c1-30-15-22(20-10-11-28-26(20)27(30)32)21-12-24-23(13-25(21)33-16-19-8-5-9-19)29-17-31(24)14-18-6-3-2-4-7-18/h2-4,6-7,10-13,15,17,19,28H,5,8-9,14,16H2,1H3
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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 US9737516 (2017)


BindingDB Entry DOI: 10.7270/Q2154K40
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [75-147]


(Homo sapiens (Human))
BDBM333420
PNG
(4-[5-(Cyclobutylmethoxy)-1-benzyl-1H-benzimidazol-...)
Show SMILES Cn1cc(-c2cc3n(Cc4ccccc4)cnc3cc2OCC2CCC2)c2cc[nH]c2c1=O
Show InChI InChI=1S/C27H26N4O2/c1-30-15-22(20-10-11-28-26(20)27(30)32)21-12-24-23(13-25(21)33-16-19-8-5-9-19)29-17-31(24)14-18-6-3-2-4-7-18/h2-4,6-7,10-13,15,17,19,28H,5,8-9,14,16H2,1H3
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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 US9737516 (2017)


BindingDB Entry DOI: 10.7270/Q2154K40
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [368-440]


(Homo sapiens (Human))
BDBM333420
PNG
(4-[5-(Cyclobutylmethoxy)-1-benzyl-1H-benzimidazol-...)
Show SMILES Cn1cc(-c2cc3n(Cc4ccccc4)cnc3cc2OCC2CCC2)c2cc[nH]c2c1=O
Show InChI InChI=1S/C27H26N4O2/c1-30-15-22(20-10-11-28-26(20)27(30)32)21-12-24-23(13-25(21)33-16-19-8-5-9-19)29-17-31(24)14-18-6-3-2-4-7-18/h2-4,6-7,10-13,15,17,19,28H,5,8-9,14,16H2,1H3
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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 US9737516 (2017)


BindingDB Entry DOI: 10.7270/Q2154K40
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [75-147]


(Homo sapiens (Human))
BDBM333422
PNG
(4-[5-(Cyclobutylmethoxy)-1-isopropyl-1H-benzimidaz...)
Show SMILES CC(C)n1cnc2cc(OCC3CCC3)c(cc12)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C23H26N4O2/c1-14(2)27-13-25-19-10-21(29-12-15-5-4-6-15)17(9-20(19)27)18-11-26(3)23(28)22-16(18)7-8-24-22/h7-11,13-15,24H,4-6,12H2,1-3H3
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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 US9737516 (2017)


BindingDB Entry DOI: 10.7270/Q2154K40
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [368-440]


(Homo sapiens (Human))
BDBM333422
PNG
(4-[5-(Cyclobutylmethoxy)-1-isopropyl-1H-benzimidaz...)
Show SMILES CC(C)n1cnc2cc(OCC3CCC3)c(cc12)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C23H26N4O2/c1-14(2)27-13-25-19-10-21(29-12-15-5-4-6-15)17(9-20(19)27)18-11-26(3)23(28)22-16(18)7-8-24-22/h7-11,13-15,24H,4-6,12H2,1-3H3
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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 US9737516 (2017)


BindingDB Entry DOI: 10.7270/Q2154K40
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [75-147]


(Homo sapiens (Human))
BDBM333422
PNG
(4-[5-(Cyclobutylmethoxy)-1-isopropyl-1H-benzimidaz...)
Show SMILES CC(C)n1cnc2cc(OCC3CCC3)c(cc12)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C23H26N4O2/c1-14(2)27-13-25-19-10-21(29-12-15-5-4-6-15)17(9-20(19)27)18-11-26(3)23(28)22-16(18)7-8-24-22/h7-11,13-15,24H,4-6,12H2,1-3H3
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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 US9737516 (2017)


BindingDB Entry DOI: 10.7270/Q2154K40
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [368-440]


(Homo sapiens (Human))
BDBM333422
PNG
(4-[5-(Cyclobutylmethoxy)-1-isopropyl-1H-benzimidaz...)
Show SMILES CC(C)n1cnc2cc(OCC3CCC3)c(cc12)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C23H26N4O2/c1-14(2)27-13-25-19-10-21(29-12-15-5-4-6-15)17(9-20(19)27)18-11-26(3)23(28)22-16(18)7-8-24-22/h7-11,13-15,24H,4-6,12H2,1-3H3
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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 US9737516 (2017)


BindingDB Entry DOI: 10.7270/Q2154K40
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [75-147]


(Homo sapiens (Human))
BDBM333424
PNG
(4-[5-(Cyclobutylmethoxy)-2-piperidin-1-yl-1H-benzi...)
Show SMILES Cn1cc(-c2cc3[nH]c(nc3cc2OCC2CCC2)N2CCCCC2)c2cc[nH]c2c1=O
Show InChI InChI=1S/C25H29N5O2/c1-29-14-19(17-8-9-26-23(17)24(29)31)18-12-20-21(13-22(18)32-15-16-6-5-7-16)28-25(27-20)30-10-3-2-4-11-30/h8-9,12-14,16,26H,2-7,10-11,15H2,1H3,(H,27,28)
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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 US9737516 (2017)


BindingDB Entry DOI: 10.7270/Q2154K40
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [368-440]


(Homo sapiens (Human))
BDBM333424
PNG
(4-[5-(Cyclobutylmethoxy)-2-piperidin-1-yl-1H-benzi...)
Show SMILES Cn1cc(-c2cc3[nH]c(nc3cc2OCC2CCC2)N2CCCCC2)c2cc[nH]c2c1=O
Show InChI InChI=1S/C25H29N5O2/c1-29-14-19(17-8-9-26-23(17)24(29)31)18-12-20-21(13-22(18)32-15-16-6-5-7-16)28-25(27-20)30-10-3-2-4-11-30/h8-9,12-14,16,26H,2-7,10-11,15H2,1H3,(H,27,28)
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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 US9737516 (2017)


BindingDB Entry DOI: 10.7270/Q2154K40
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [75-147]


(Homo sapiens (Human))
BDBM333425
PNG
(4-[5-(Cyclobutylmethoxy)-2-cyclopentyl-1H-benzimid...)
Show SMILES Cn1cc(-c2cc3[nH]c(nc3cc2OCC2CCC2)C2CCCC2)c2cc[nH]c2c1=O
Show InChI InChI=1S/C25H28N4O2/c1-29-13-19(17-9-10-26-23(17)25(29)30)18-11-20-21(12-22(18)31-14-15-5-4-6-15)28-24(27-20)16-7-2-3-8-16/h9-13,15-16,26H,2-8,14H2,1H3,(H,27,28)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



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 20 μL for BD1 and 40 μL for BD2. Inhib...


US Patent US9737516 (2017)


BindingDB Entry DOI: 10.7270/Q2154K40
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [368-440]


(Homo sapiens (Human))
BDBM333425
PNG
(4-[5-(Cyclobutylmethoxy)-2-cyclopentyl-1H-benzimid...)
Show SMILES Cn1cc(-c2cc3[nH]c(nc3cc2OCC2CCC2)C2CCCC2)c2cc[nH]c2c1=O
Show InChI InChI=1S/C25H28N4O2/c1-29-13-19(17-9-10-26-23(17)25(29)30)18-11-20-21(12-22(18)31-14-15-5-4-6-15)28-24(27-20)16-7-2-3-8-16/h9-13,15-16,26H,2-8,14H2,1H3,(H,27,28)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



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 20 μL for BD1 and 40 μL for BD2. Inhib...


US Patent US9737516 (2017)


BindingDB Entry DOI: 10.7270/Q2154K40
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [75-147]


(Homo sapiens (Human))
BDBM333420
PNG
(4-[5-(Cyclobutylmethoxy)-1-benzyl-1H-benzimidazol-...)
Show SMILES Cn1cc(-c2cc3n(Cc4ccccc4)cnc3cc2OCC2CCC2)c2cc[nH]c2c1=O
Show InChI InChI=1S/C27H26N4O2/c1-30-15-22(20-10-11-28-26(20)27(30)32)21-12-24-23(13-25(21)33-16-19-8-5-9-19)29-17-31(24)14-18-6-3-2-4-7-18/h2-4,6-7,10-13,15,17,19,28H,5,8-9,14,16H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 550n/an/an/an/an/an/a



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 20 μL for BD1 and 40 μL for BD2. Inhib...


US Patent US9737516 (2017)


BindingDB Entry DOI: 10.7270/Q2154K40
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [75-147]


(Homo sapiens (Human))
BDBM333411
PNG
(5-(2,4-Difluorophenoxy)-1,3-dimethyl-6-(6-methyl-7...)
Show SMILES Cn1c2cc(Oc3ccc(F)cc3F)c(cc2n(C)c1=O)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C23H18F2N4O3/c1-27-11-15(13-6-7-26-21(13)22(27)30)14-9-17-18(29(3)23(31)28(17)2)10-20(14)32-19-5-4-12(24)8-16(19)25/h4-11,26H,1-3H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 550n/an/an/an/an/an/a



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 20 μL for BD1 and 40 μL for BD2. Inhib...


US Patent US9737516 (2017)


BindingDB Entry DOI: 10.7270/Q2154K40
More data for this
Ligand-Target Pair