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Patent code US9957268

Compile Data Set for Download or QSAR
Found 196 hits of Enzyme Inhibition Constant Data   
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
BRD4 - BD1


(Homo sapiens (Human))
BDBM391526
PNG
(6-methoxy-8-(6-methyl-7- oxo-6,7-dihydro-1H- pyrro...)
Show SMILES COc1cc2NC(=O)C(Oc2c(c1)-c1cn(C)c(=O)c2[nH]ccc12)c1ccccc1
Show InChI InChI=1/C23H19N3O4/c1-26-12-17(15-8-9-24-19(15)23(26)28)16-10-14(29-2)11-18-21(16)30-20(22(27)25-18)13-6-4-3-5-7-13/h3-12,20,24H,1-2H3,(H,25,27)
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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 US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM391538
PNG
(2-isopropyl-N,N-dimethyl-8- (6-methyl-7-oxo-6,7-di...)
Show SMILES CC(C)C1Oc2c(NC1=O)cc(cc2-c1cn(C)c(=O)c2[nH]ccc12)C(=O)N(C)C
Show InChI InChI=1/C22H24N4O4/c1-11(2)18-20(27)24-16-9-12(21(28)25(3)4)8-14(19(16)30-18)15-10-26(5)22(29)17-13(15)6-7-23-17/h6-11,18,23H,1-5H3,(H,24,27)
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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 US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD2


(Homo sapiens (Human))
BDBM391504
PNG
(2-ethyl-8-(6-methyl-7-oxo- | US9957268, Example 4)
Show SMILES CCC1Oc2c(NC1=O)cccc2-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1/C18H17N3O3/c1-3-14-17(22)20-13-6-4-5-11(16(13)24-14)12-9-21(2)18(23)15-10(12)7-8-19-15/h4-9,14,19H,3H2,1-2H3,(H,20,22)
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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 US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD2


(Homo sapiens (Human))
BDBM391509
PNG
(US9957268, Example 9 | US9957268, Example 9A | US9...)
Show SMILES COc1cc2NC(=O)C(Oc2c(c1)-c1cn(C)c(=O)c2[nH]ccc12)C(C)C
Show InChI InChI=1/C20H21N3O4/c1-10(2)17-19(24)22-15-8-11(26-4)7-13(18(15)27-17)14-9-23(3)20(25)16-12(14)5-6-21-16/h5-10,17,21H,1-4H3,(H,22,24)
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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 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM391548
PNG
(US9957268, Example 42 | US9957268, Example 42A | U...)
Show SMILES COc1cc2NC(=O)C(Oc2c(c1)-c1cn(C)c(=O)c2[nH]ncc12)C1CCCC1
Show InChI InChI=1/C21H22N4O4/c1-25-10-15(14-9-22-24-17(14)21(25)27)13-7-12(28-2)8-16-19(13)29-18(20(26)23-16)11-5-3-4-6-11/h7-11,18H,3-6H2,1-2H3,(H,22,24)(H,23,26)
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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 US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM391556
PNG
(8-(6-methyl-7-oxo-6,7- dihydro-1H-pyrrolo[2,3- c]p...)
Show SMILES Cn1cc(-c2cc(cc3NC(=O)C(Oc23)c2ccccc2)S(C)(=O)=O)c2cc[nH]c2c1=O
Show InChI InChI=1/C23H19N3O5S/c1-26-12-17(15-8-9-24-19(15)23(26)28)16-10-14(32(2,29)30)11-18-21(16)31-20(22(27)25-18)13-6-4-3-5-7-13/h3-12,20,24H,1-2H3,(H,25,27)
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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 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM391502
PNG
(2-isopropyl-8-(6-methyl-7- | US9957268, Example 2)
Show SMILES CC(C)C1Oc2c(NC1=O)cccc2-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1/C19H19N3O3/c1-10(2)16-18(23)21-14-6-4-5-12(17(14)25-16)13-9-22(3)19(24)15-11(13)7-8-20-15/h4-10,16,20H,1-3H3,(H,21,23)
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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 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM391506
PNG
(US9957268, Example 6)
Show SMILES Cn1cc(-c2cccc3NC(=O)C(Oc23)C2CC2)c2cc[nH]c2c1=O
Show InChI InChI=1/C19H17N3O3/c1-22-9-13(11-7-8-20-15(11)19(22)24)12-3-2-4-14-17(12)25-16(10-5-6-10)18(23)21-14/h2-4,7-10,16,20H,5-6H2,1H3,(H,21,23)
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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 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM391507
PNG
(US9957268, Example 7)
Show SMILES Cn1cc(-c2cccc3NC(=O)C(Oc23)C2CCOCC2)c2cc[nH]c2c1=O
Show InChI InChI=1/C21H21N3O4/c1-24-11-15(13-5-8-22-17(13)21(24)26)14-3-2-4-16-19(14)28-18(20(25)23-16)12-6-9-27-10-7-12/h2-5,8,11-12,18,22H,6-7,9-10H2,1H3,(H,23,25)
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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 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM391574
PNG
(8'-(6-methyl-7-oxo-6,7-dihydro- 1H-pyrrolo[2,3-c]p...)
Show SMILES Cn1cc(-c2cc(cc3NC(=O)C4(CCC4)Oc23)S(C)(=O)=O)c2cc[nH]c2c1=O
Show InChI InChI=1S/C20H19N3O5S/c1-23-10-14(12-4-7-21-16(12)18(23)24)13-8-11(29(2,26)27)9-15-17(13)28-20(5-3-6-20)19(25)22-15/h4,7-10,21H,3,5-6H2,1-2H3,(H,22,25)
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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 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM391582
PNG
(N,N,2,2-tetramethyl-8-(6- methyl-7-oxo-6,7-dihydro...)
Show SMILES CN(C)S(=O)(=O)c1cc2NC(=O)C(C)(C)Oc2c(c1)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C20H22N4O5S/c1-20(2)19(26)22-15-9-11(30(27,28)23(3)4)8-13(17(15)29-20)14-10-24(5)18(25)16-12(14)6-7-21-16/h6-10,21H,1-5H3,(H,22,26)
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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 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM391584
PNG
(2,2-dimethyl-8-(6-methyl-7- oxo-6,7-dihydro-1H- py...)
Show SMILES CN1C(=O)C(C)(C)Oc2c1cc(cc2-c1cn(C)c(=O)c2[nH]ccc12)S(=O)(=O)N1CCCCC1
Show InChI InChI=1S/C24H28N4O5S/c1-24(2)23(30)27(4)19-13-15(34(31,32)28-10-6-5-7-11-28)12-17(21(19)33-24)18-14-26(3)22(29)20-16(18)8-9-25-20/h8-9,12-14,25H,5-7,10-11H2,1-4H3
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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 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM391592
PNG
(6-acetyl-2,2-dimethyl-8-(6- methyl-7-oxo-6,7-dihyd...)
Show SMILES CC(=O)c1cc2NC(=O)C(C)(C)Oc2c(c1)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C20H19N3O4/c1-10(24)11-7-13(17-15(8-11)22-19(26)20(2,3)27-17)14-9-23(4)18(25)16-12(14)5-6-21-16/h5-9,21H,1-4H3,(H,22,26)
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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 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM391594
PNG
(6-acetyl-2,2,4-trimethyl-8-(6- methyl-7-oxo-6,7-di...)
Show SMILES CN1C(=O)C(C)(C)Oc2c1cc(cc2-c1cn(C)c(=O)c2[nH]ccc12)C(C)=O
Show InChI InChI=1S/C21H21N3O4/c1-11(25)12-8-14(15-10-23(4)19(26)17-13(15)6-7-22-17)18-16(9-12)24(5)20(27)21(2,3)28-18/h6-10,22H,1-5H3
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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 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD2


(Homo sapiens (Human))
BDBM391517
PNG
(2-isopropyl-6-methoxy-8-(6- methyl-7-oxo-6,7-dihyd...)
Show SMILES COc1cc2N(Cc3ccncc3)C(=O)C(Oc2c(c1)-c1cn(C)c(=O)c2[nH]ccc12)C(C)C
Show InChI InChI=1/C26H26N4O4/c1-15(2)23-26(32)30(13-16-5-8-27-9-6-16)21-12-17(33-4)11-19(24(21)34-23)20-14-29(3)25(31)22-18(20)7-10-28-22/h5-12,14-15,23,28H,13H2,1-4H3
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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 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD2


(Homo sapiens (Human))
BDBM391561
PNG
(6-acetyl-2-isopropyl-8-(6- methyl-7-oxo-6,7-dihydr...)
Show SMILES CC(C)C1Oc2c(NC1=O)cc(cc2-c1cn(C)c(=O)c2[nH]ccc12)C(C)=O
Show InChI InChI=1/C21H21N3O4/c1-10(2)18-20(26)23-16-8-12(11(3)25)7-14(19(16)28-18)15-9-24(4)21(27)17-13(15)5-6-22-17/h5-10,18,22H,1-4H3,(H,23,26)
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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 US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD2


(Homo sapiens (Human))
BDBM391562
PNG
(US9957268, Example 50)
Show SMILES CC(C)C1Oc2c(NC1=O)cc(cc2-c1cn(C)c(=O)c2[nH]ccc12)C(C)O
Show InChI InChI=1/C21H23N3O4/c1-10(2)18-20(26)23-16-8-12(11(3)25)7-14(19(16)28-18)15-9-24(4)21(27)17-13(15)5-6-22-17/h5-11,18,22,25H,1-4H3,(H,23,26)
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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 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD2


(Homo sapiens (Human))
BDBM391572
PNG
((3S)-3-isopropyl-5-(6-methyl-7- oxo-6,7-dihydro-1H...)
Show SMILES CC(C)[C@@H]1Oc2c(NC1=O)cc(cc2-c1cn(C)c(=O)c2[nH]ccc12)S(C)(=O)=O
Show InChI InChI=1/C20H21N3O5S/c1-10(2)17-19(24)22-15-8-11(29(4,26)27)7-13(18(15)28-17)14-9-23(3)20(25)16-12(14)5-6-21-16/h5-10,17,21H,1-4H3,(H,22,24)/t17-/s2
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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 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD2


(Homo sapiens (Human))
BDBM391592
PNG
(6-acetyl-2,2-dimethyl-8-(6- methyl-7-oxo-6,7-dihyd...)
Show SMILES CC(=O)c1cc2NC(=O)C(C)(C)Oc2c(c1)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C20H19N3O4/c1-10(24)11-7-13(17-15(8-11)22-19(26)20(2,3)27-17)14-9-23(4)18(25)16-12(14)5-6-21-16/h5-9,21H,1-4H3,(H,22,26)
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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 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM391537
PNG
(2-isopropyl-8-(6-methyl-7- oxo-6,7-dihydro-1H- pyr...)
Show SMILES CC(C)C1Oc2c(NC1=O)cc(cc2-c1cn(C)c(=O)c2[nH]ccc12)C(=O)N1CCOCC1
Show InChI InChI=1/C24H26N4O5/c1-13(2)20-22(29)26-18-11-14(23(30)28-6-8-32-9-7-28)10-16(21(18)33-20)17-12-27(3)24(31)19-15(17)4-5-25-19/h4-5,10-13,20,25H,6-9H2,1-3H3,(H,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 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM391539
PNG
(US9957268, Example 35 | US9957268, Example 35A | U...)
Show SMILES COc1cc2NC(=O)C(Oc2c(c1)-c1cn(C)c(=O)c2[nH]ccc12)C1CCCC1
Show InChI InChI=1/C22H23N3O4/c1-25-11-16(14-7-8-23-18(14)22(25)27)15-9-13(28-2)10-17-20(15)29-19(21(26)24-17)12-5-3-4-6-12/h7-12,19,23H,3-6H2,1-2H3,(H,24,26)
PDB

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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 US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD2


(Homo sapiens (Human))
BDBM391502
PNG
(2-isopropyl-8-(6-methyl-7- | US9957268, Example 2)
Show SMILES CC(C)C1Oc2c(NC1=O)cccc2-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1/C19H19N3O3/c1-10(2)16-18(23)21-14-6-4-5-12(17(14)25-16)13-9-22(3)19(24)15-11(13)7-8-20-15/h4-10,16,20H,1-3H3,(H,21,23)
PDB

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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 US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD2


(Homo sapiens (Human))
BDBM391506
PNG
(US9957268, Example 6)
Show SMILES Cn1cc(-c2cccc3NC(=O)C(Oc23)C2CC2)c2cc[nH]c2c1=O
Show InChI InChI=1/C19H17N3O3/c1-22-9-13(11-7-8-20-15(11)19(22)24)12-3-2-4-14-17(12)25-16(10-5-6-10)18(23)21-14/h2-4,7-10,16,20H,5-6H2,1H3,(H,21,23)
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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 US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM391555
PNG
(2,2-dimethyl-8-(6-methyl-7- | US9957268, Example 4...)
Show SMILES Cn1cc(-c2cc(cc3NC(=O)C(C)(C)Oc23)S(C)(=O)=O)c2cc[nH]c2c1=O
Show InChI InChI=1S/C19H19N3O5S/c1-19(2)18(24)21-14-8-10(28(4,25)26)7-12(16(14)27-19)13-9-22(3)17(23)15-11(13)5-6-20-15/h5-9,20H,1-4H3,(H,21,24)
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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 US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM391522
PNG
(US9957268, Example 20)
Show SMILES CNC(=O)c1cc2NC(=O)C(Oc2c(c1)-c1cn(C)c(=O)c2[nH]ccc12)C(C)C
Show InChI InChI=1/C21H22N4O4/c1-10(2)17-20(27)24-15-8-11(19(26)22-3)7-13(18(15)29-17)14-9-25(4)21(28)16-12(14)5-6-23-16/h5-10,17,23H,1-4H3,(H,22,26)(H,24,27)
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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 US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM391565
PNG
(4-(cyclopropylmethyl)-2- isopropyl-8-(6-methyl-7-o...)
Show SMILES Cn1cc(-c2cc(cc3NC(=O)C(CC4CC4)Oc23)S(C)(=O)=O)c2cc[nH]c2c1=O
Show InChI InChI=1/C21H21N3O5S/c1-24-10-15(13-5-6-22-18(13)21(24)26)14-8-12(30(2,27)28)9-16-19(14)29-17(20(25)23-16)7-11-3-4-11/h5-6,8-11,17,22H,3-4,7H2,1-2H3,(H,23,25)
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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 US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM391568
PNG
(2-isopropyl-6- (isopropylsulfonyl)-4-methyl- 8-(6-...)
Show SMILES CC(C)C1Oc2c(cc(cc2-c2cn(C)c(=O)c3[nH]ccc23)S(=O)(=O)C(C)C)N(C)C1=O
Show InChI InChI=1/C23H27N3O5S/c1-12(2)20-23(28)26(6)18-10-14(32(29,30)13(3)4)9-16(21(18)31-20)17-11-25(5)22(27)19-15(17)7-8-24-19/h7-13,20,24H,1-6H3
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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 US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM391572
PNG
((3S)-3-isopropyl-5-(6-methyl-7- oxo-6,7-dihydro-1H...)
Show SMILES CC(C)[C@@H]1Oc2c(NC1=O)cc(cc2-c1cn(C)c(=O)c2[nH]ccc12)S(C)(=O)=O
Show InChI InChI=1/C20H21N3O5S/c1-10(2)17-19(24)22-15-8-11(29(4,26)27)7-13(18(15)28-17)14-9-23(3)20(25)16-12(14)5-6-21-16/h5-10,17,21H,1-4H3,(H,22,24)/t17-/s2
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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 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM391578
PNG
(4-methyl-8-(6-methyl-7-oxo- 6,7-dihydro-1H-pyrazol...)
Show SMILES CN1C(=O)C2(CC2)Oc2c1cc(cc2-c1cn(C)c(=O)c2[nH]ncc12)S(C)(=O)=O
Show InChI InChI=1S/C19H18N4O5S/c1-22-9-13(12-8-20-21-15(12)17(22)24)11-6-10(29(3,26)27)7-14-16(11)28-19(4-5-19)18(25)23(14)2/h6-9H,4-5H2,1-3H3,(H,20,21)
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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 US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM391580
PNG
(2-isopropyl-N-methyl-8-(6- methyl-7-oxo-6,7-dihydr...)
Show SMILES CNS(=O)(=O)c1cc2NC(=O)C(Oc2c(c1)-c1cn(C)c(=O)c2[nH]ccc12)C(C)C
Show InChI InChI=1/C20H22N4O5S/c1-10(2)17-19(25)23-15-8-11(30(27,28)21-3)7-13(18(15)29-17)14-9-24(4)20(26)16-12(14)5-6-22-16/h5-10,17,21-22H,1-4H3,(H,23,25)
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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 US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM391589
PNG
(6-(isopropylsulfonyl)-2,2,4- trimethyl-8-(6-methyl...)
Show SMILES CC(C)S(=O)(=O)c1cc2N(C)C(=O)C(C)(C)Oc2c(c1)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C22H25N3O5S/c1-12(2)31(28,29)13-9-15(16-11-24(5)20(26)18-14(16)7-8-23-18)19-17(10-13)25(6)21(27)22(3,4)30-19/h7-12,23H,1-6H3
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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 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM391595
PNG
(6-(1-hydroxyethyl)-2,2,4- trimethyl-8-(6-methyl-7-...)
Show SMILES CC(O)c1cc2N(C)C(=O)C(C)(C)Oc2c(c1)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1/C21H23N3O4/c1-11(25)12-8-14(15-10-23(4)19(26)17-13(15)6-7-22-17)18-16(9-12)24(5)20(27)21(2,3)28-18/h6-11,22,25H,1-5H3
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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 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD2


(Homo sapiens (Human))
BDBM391522
PNG
(US9957268, Example 20)
Show SMILES CNC(=O)c1cc2NC(=O)C(Oc2c(c1)-c1cn(C)c(=O)c2[nH]ccc12)C(C)C
Show InChI InChI=1/C21H22N4O4/c1-10(2)17-20(27)24-15-8-11(19(26)22-3)7-13(18(15)29-17)14-9-25(4)21(28)16-12(14)5-6-23-16/h5-10,17,23H,1-4H3,(H,22,26)(H,24,27)
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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 US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD2


(Homo sapiens (Human))
BDBM391548
PNG
(US9957268, Example 42 | US9957268, Example 42A | U...)
Show SMILES COc1cc2NC(=O)C(Oc2c(c1)-c1cn(C)c(=O)c2[nH]ncc12)C1CCCC1
Show InChI InChI=1/C21H22N4O4/c1-25-10-15(14-9-22-24-17(14)21(25)27)13-7-12(28-2)8-16-19(13)29-18(20(26)23-16)11-5-3-4-6-11/h7-11,18H,3-6H2,1-2H3,(H,22,24)(H,23,26)
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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 US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD2


(Homo sapiens (Human))
BDBM391560
PNG
(2-(2-hydroxyethyl)-8-(6- methyl-7-oxo-6,7-dihydro-...)
Show SMILES CCCC1Oc2c(NC1=O)cc(cc2-c1cn(C)c(=O)c2[nH]ccc12)S(C)(=O)=O
Show InChI InChI=1/C20H21N3O5S/c1-4-5-16-19(24)22-15-9-11(29(3,26)27)8-13(18(15)28-16)14-10-23(2)20(25)17-12(14)6-7-21-17/h6-10,16,21H,4-5H2,1-3H3,(H,22,24)
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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 US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD2


(Homo sapiens (Human))
BDBM391580
PNG
(2-isopropyl-N-methyl-8-(6- methyl-7-oxo-6,7-dihydr...)
Show SMILES CNS(=O)(=O)c1cc2NC(=O)C(Oc2c(c1)-c1cn(C)c(=O)c2[nH]ccc12)C(C)C
Show InChI InChI=1/C20H22N4O5S/c1-10(2)17-19(25)23-15-8-11(30(27,28)21-3)7-13(18(15)29-17)14-9-24(4)20(26)16-12(14)5-6-22-16/h5-10,17,21-22H,1-4H3,(H,23,25)
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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 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD2


(Homo sapiens (Human))
BDBM391582
PNG
(N,N,2,2-tetramethyl-8-(6- methyl-7-oxo-6,7-dihydro...)
Show SMILES CN(C)S(=O)(=O)c1cc2NC(=O)C(C)(C)Oc2c(c1)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C20H22N4O5S/c1-20(2)19(26)22-15-9-11(30(27,28)23(3)4)8-13(17(15)29-20)14-10-24(5)18(25)16-12(14)6-7-21-16/h6-10,21H,1-5H3,(H,22,26)
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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 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD2


(Homo sapiens (Human))
BDBM391593
PNG
(6-(1-hydroxyethyl)-2,2- dimethyl-8-(6-methyl-7-oxo...)
Show SMILES CC(O)c1cc2NC(=O)C(C)(C)Oc2c(c1)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1/C20H21N3O4/c1-10(24)11-7-13(17-15(8-11)22-19(26)20(2,3)27-17)14-9-23(4)18(25)16-12(14)5-6-21-16/h5-10,21,24H,1-4H3,(H,22,26)
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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 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM391533
PNG
(US9957268, Example 29)
Show SMILES COc1cc2NC(=O)C(C)(C)Oc2c(c1)-c1cn(C)c(=O)c2[nH]ncc12
Show InChI InChI=1S/C18H18N4O4/c1-18(2)17(24)20-13-6-9(25-4)5-10(15(13)26-18)12-8-22(3)16(23)14-11(12)7-19-21-14/h5-8H,1-4H3,(H,19,21)(H,20,24)
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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 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM391534
PNG
(US9957268, Example 30)
Show SMILES Cn1cc(-c2cccc3NC(=O)C4(CC4)Oc23)c2cc[nH]c2c1=O
Show InChI InChI=1S/C18H15N3O3/c1-21-9-12(10-5-8-19-14(10)16(21)22)11-3-2-4-13-15(11)24-18(6-7-18)17(23)20-13/h2-5,8-9,19H,6-7H2,1H3,(H,20,23)
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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 US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM391545
PNG
(US9957268, Example 39)
Show SMILES CCS(=O)(=O)NCc1cc2NC(=O)C(Oc2c(c1)-c1cn(C)c(=O)c2[nH]ccc12)C(C)C
Show InChI InChI=1/C22H26N4O5S/c1-5-32(29,30)24-10-13-8-15(16-11-26(4)22(28)18-14(16)6-7-23-18)20-17(9-13)25-21(27)19(31-20)12(2)3/h6-9,11-12,19,23-24H,5,10H2,1-4H3,(H,25,27)
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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 US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM391547
PNG
(2-isopropyl-8-(6-methyl-7- oxo-6,7-dihydro-1H- pyr...)
Show SMILES CC(C)C1Oc2c(NC1=O)cc(cc2-c1cn(C)c(=O)c2[nH]ccc12)C(N)=O
Show InChI InChI=1/C20H20N4O4/c1-9(2)16-19(26)23-14-7-10(18(21)25)6-12(17(14)28-16)13-8-24(3)20(27)15-11(13)4-5-22-15/h4-9,16,22H,1-3H3,(H2,21,25)(H,23,26)
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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 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD2


(Homo sapiens (Human))
BDBM391509
PNG
(US9957268, Example 9 | US9957268, Example 9A | US9...)
Show SMILES COc1cc2NC(=O)C(Oc2c(c1)-c1cn(C)c(=O)c2[nH]ccc12)C(C)C
Show InChI InChI=1/C20H21N3O4/c1-10(2)17-19(24)22-15-8-11(26-4)7-13(18(15)27-17)14-9-23(3)20(25)16-12(14)5-6-21-16/h5-10,17,21H,1-4H3,(H,22,24)
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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 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM391559
PNG
(US9957268, Example 47B)
Show SMILES CC(C)[C@H]1Oc2c(cc(cc2-c2cn(C)c(=O)c3[nH]ccc23)S(C)(=O)=O)N(C)C1=O
Show InChI InChI=1/C21H23N3O5S/c1-11(2)18-21(26)24(4)16-9-12(30(5,27)28)8-14(19(16)29-18)15-10-23(3)20(25)17-13(15)6-7-22-17/h6-11,18,22H,1-5H3/t18-/s2
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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 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM391560
PNG
(2-(2-hydroxyethyl)-8-(6- methyl-7-oxo-6,7-dihydro-...)
Show SMILES CCCC1Oc2c(NC1=O)cc(cc2-c1cn(C)c(=O)c2[nH]ccc12)S(C)(=O)=O
Show InChI InChI=1/C20H21N3O5S/c1-4-5-16-19(24)22-15-9-11(29(3,26)27)8-13(18(15)28-16)14-10-23(2)20(25)17-12(14)6-7-21-17/h6-10,16,21H,4-5H2,1-3H3,(H,22,24)
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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 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM391571
PNG
(8'-(6-methyl-7-oxo-6,7-dihydro- 1H-pyrrolo[2,3-c]p...)
Show SMILES Cn1cc(-c2cc(cc3NC(=O)C4(CCCC4)Oc23)S(C)(=O)=O)c2cc[nH]c2c1=O
Show InChI InChI=1S/C21H21N3O5S/c1-24-11-15(13-5-8-22-17(13)19(24)25)14-9-12(30(2,27)28)10-16-18(14)29-21(20(26)23-16)6-3-4-7-21/h5,8-11,22H,3-4,6-7H2,1-2H3,(H,23,26)
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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 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM391584
PNG
(2,2-dimethyl-8-(6-methyl-7- oxo-6,7-dihydro-1H- py...)
Show SMILES CN1C(=O)C(C)(C)Oc2c1cc(cc2-c1cn(C)c(=O)c2[nH]ccc12)S(=O)(=O)N1CCCCC1
Show InChI InChI=1S/C24H28N4O5S/c1-24(2)23(30)27(4)19-13-15(34(31,32)28-10-6-5-7-11-28)12-17(21(19)33-24)18-14-26(3)22(29)20-16(18)8-9-25-20/h8-9,12-14,25H,5-7,10-11H2,1-4H3
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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 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM391582
PNG
(N,N,2,2-tetramethyl-8-(6- methyl-7-oxo-6,7-dihydro...)
Show SMILES CN(C)S(=O)(=O)c1cc2NC(=O)C(C)(C)Oc2c(c1)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C20H22N4O5S/c1-20(2)19(26)22-15-9-11(30(27,28)23(3)4)8-13(17(15)29-20)14-10-24(5)18(25)16-12(14)6-7-21-16/h6-10,21H,1-5H3,(H,22,26)
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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 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM391587
PNG
(2,2,4-trimethyl-8-(6-methyl-7- oxo-6,7-dihydro-1H-...)
Show SMILES CN1C(=O)C(C)(C)Oc2c1cc(cc2-c1cn(C)c(=O)c2[nH]ccc12)S(C)(=O)=O
Show InChI InChI=1S/C20H21N3O5S/c1-20(2)19(25)23(4)15-9-11(29(5,26)27)8-13(17(15)28-20)14-10-22(3)18(24)16-12(14)6-7-21-16/h6-10,21H,1-5H3
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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 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM391588
PNG
(6-(ethylsulfonyl)-2,2,4- trimethyl-8-(6-methyl-7-o...)
Show SMILES CCS(=O)(=O)c1cc2N(C)C(=O)C(C)(C)Oc2c(c1)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C21H23N3O5S/c1-6-30(27,28)12-9-14(15-11-23(4)19(25)17-13(15)7-8-22-17)18-16(10-12)24(5)20(26)21(2,3)29-18/h7-11,22H,6H2,1-5H3
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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 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM391593
PNG
(6-(1-hydroxyethyl)-2,2- dimethyl-8-(6-methyl-7-oxo...)
Show SMILES CC(O)c1cc2NC(=O)C(C)(C)Oc2c(c1)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1/C20H21N3O4/c1-10(24)11-7-13(17-15(8-11)22-19(26)20(2,3)27-17)14-9-23(4)18(25)16-12(14)5-6-21-16/h5-10,21,24H,1-4H3,(H,22,26)
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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 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD2


(Homo sapiens (Human))
BDBM391516
PNG
(2-isopropyl-6-methoxy-8-(6- methyl-7-oxo-6,7-dihyd...)
Show SMILES COc1cc2N(CC(=O)N3CCN(C)CC3)C(=O)C(Oc2c(c1)-c1cn(C)c(=O)c2[nH]ccc12)C(C)C
Show InChI InChI=1/C27H33N5O5/c1-16(2)24-27(35)32(15-22(33)31-10-8-29(3)9-11-31)21-13-17(36-5)12-19(25(21)37-24)20-14-30(4)26(34)23-18(20)6-7-28-23/h6-7,12-14,16,24,28H,8-11,15H2,1-5H3
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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 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD2


(Homo sapiens (Human))
BDBM391530
PNG
(US9957268, Example 26)
Show SMILES COc1cc2NC(=O)C(Oc2c(c1)-c1cn(C)c(=O)c2[nH]ncc12)C(C)C
Show InChI InChI=1/C19H20N4O4/c1-9(2)16-18(24)21-14-6-10(26-4)5-11(17(14)27-16)13-8-23(3)19(25)15-12(13)7-20-22-15/h5-9,16H,1-4H3,(H,20,22)(H,21,24)
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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 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD2


(Homo sapiens (Human))
BDBM391531
PNG
(US9957268, Example 27)
Show SMILES COc1cc2NC(=O)C(C)(C)Oc2c(c1)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C19H19N3O4/c1-19(2)18(24)21-14-8-10(25-4)7-12(16(14)26-19)13-9-22(3)17(23)15-11(13)5-6-20-15/h5-9,20H,1-4H3,(H,21,24)
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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 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD2


(Homo sapiens (Human))
BDBM391534
PNG
(US9957268, Example 30)
Show SMILES Cn1cc(-c2cccc3NC(=O)C4(CC4)Oc23)c2cc[nH]c2c1=O
Show InChI InChI=1S/C18H15N3O3/c1-21-9-12(10-5-8-19-14(10)16(21)22)11-3-2-4-13-15(11)24-18(6-7-18)17(23)20-13/h2-5,8-9,19H,6-7H2,1H3,(H,20,23)
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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 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD2


(Homo sapiens (Human))
BDBM391537
PNG
(2-isopropyl-8-(6-methyl-7- oxo-6,7-dihydro-1H- pyr...)
Show SMILES CC(C)C1Oc2c(NC1=O)cc(cc2-c1cn(C)c(=O)c2[nH]ccc12)C(=O)N1CCOCC1
Show InChI InChI=1/C24H26N4O5/c1-13(2)20-22(29)26-18-11-14(23(30)28-6-8-32-9-7-28)10-16(21(18)33-20)17-12-27(3)24(31)19-15(17)4-5-25-19/h4-5,10-13,20,25H,6-9H2,1-3H3,(H,26,29)
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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 US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD2


(Homo sapiens (Human))
BDBM391542
PNG
(US9957268, Example 36)
Show SMILES CC(C)C1Oc2c(NC1=O)cc(CO)cc2-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1/C20H21N3O4/c1-10(2)17-19(25)22-15-7-11(9-24)6-13(18(15)27-17)14-8-23(3)20(26)16-12(14)4-5-21-16/h4-8,10,17,21,24H,9H2,1-3H3,(H,22,25)
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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 US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD2


(Homo sapiens (Human))
BDBM391545
PNG
(US9957268, Example 39)
Show SMILES CCS(=O)(=O)NCc1cc2NC(=O)C(Oc2c(c1)-c1cn(C)c(=O)c2[nH]ccc12)C(C)C
Show InChI InChI=1/C22H26N4O5S/c1-5-32(29,30)24-10-13-8-15(16-11-26(4)22(28)18-14(16)6-7-23-18)20-17(9-13)25-21(27)19(31-20)12(2)3/h6-9,11-12,19,23-24H,5,10H2,1-4H3,(H,25,27)
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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 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD2


(Homo sapiens (Human))
BDBM391548
PNG
(US9957268, Example 42 | US9957268, Example 42A | U...)
Show SMILES COc1cc2NC(=O)C(Oc2c(c1)-c1cn(C)c(=O)c2[nH]ncc12)C1CCCC1
Show InChI InChI=1/C21H22N4O4/c1-25-10-15(14-9-22-24-17(14)21(25)27)13-7-12(28-2)8-16-19(13)29-18(20(26)23-16)11-5-3-4-6-11/h7-11,18H,3-6H2,1-2H3,(H,22,24)(H,23,26)
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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 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD2


(Homo sapiens (Human))
BDBM391552
PNG
(US9957268, Example 44 | US9957268, Example 44A | U...)
Show SMILES CC(C)C1Oc2c(NC1=O)cc(cc2-c1cn(C)c(=O)c2[nH]ccc12)S(C)(=O)=O
Show InChI InChI=1/C20H21N3O5S/c1-10(2)17-19(24)22-15-8-11(29(4,26)27)7-13(18(15)28-17)14-9-23(3)20(25)16-12(14)5-6-21-16/h5-10,17,21H,1-4H3,(H,22,24)
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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 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD2


(Homo sapiens (Human))
BDBM391552
PNG
(US9957268, Example 44 | US9957268, Example 44A | U...)
Show SMILES CC(C)C1Oc2c(NC1=O)cc(cc2-c1cn(C)c(=O)c2[nH]ccc12)S(C)(=O)=O
Show InChI InChI=1/C20H21N3O5S/c1-10(2)17-19(24)22-15-8-11(29(4,26)27)7-13(18(15)28-17)14-9-23(3)20(25)16-12(14)5-6-21-16/h5-10,17,21H,1-4H3,(H,22,24)
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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 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD2


(Homo sapiens (Human))
BDBM391574
PNG
(8'-(6-methyl-7-oxo-6,7-dihydro- 1H-pyrrolo[2,3-c]p...)
Show SMILES Cn1cc(-c2cc(cc3NC(=O)C4(CCC4)Oc23)S(C)(=O)=O)c2cc[nH]c2c1=O
Show InChI InChI=1S/C20H19N3O5S/c1-23-10-14(12-4-7-21-16(12)18(23)24)13-8-11(29(2,26)27)9-15-17(13)28-20(5-3-6-20)19(25)22-15/h4,7-10,21H,3,5-6H2,1-2H3,(H,22,25)
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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 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD2


(Homo sapiens (Human))
BDBM391577
PNG
(8-(6-methyl-7-oxo-6,7- dihydro-1H-pyrazolo[3,4- c]...)
Show SMILES Cn1cc(-c2cc(cc3NC(=O)C4(CC4)Oc23)S(C)(=O)=O)c2cn[nH]c2c1=O
Show InChI InChI=1S/C18H16N4O5S/c1-22-8-12(11-7-19-21-14(11)16(22)23)10-5-9(28(2,25)26)6-13-15(10)27-18(3-4-18)17(24)20-13/h5-8H,3-4H2,1-2H3,(H,19,21)(H,20,24)
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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 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD2


(Homo sapiens (Human))
BDBM391578
PNG
(4-methyl-8-(6-methyl-7-oxo- 6,7-dihydro-1H-pyrazol...)
Show SMILES CN1C(=O)C2(CC2)Oc2c1cc(cc2-c1cn(C)c(=O)c2[nH]ncc12)S(C)(=O)=O
Show InChI InChI=1S/C19H18N4O5S/c1-22-9-13(12-8-20-21-15(12)17(22)24)11-6-10(29(3,26)27)7-14-16(11)28-19(4-5-19)18(25)23(14)2/h6-9H,4-5H2,1-3H3,(H,20,21)
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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 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD2


(Homo sapiens (Human))
BDBM391581
PNG
(N,N,2,2,4-pentamethyl-8-(6- methyl-7-oxo-6,7-dihyd...)
Show SMILES CN(C)S(=O)(=O)c1cc2N(C)C(=O)C(C)(C)Oc2c(c1)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C21H24N4O5S/c1-21(2)20(27)25(6)16-10-12(31(28,29)23(3)4)9-14(18(16)30-21)15-11-24(5)19(26)17-13(15)7-8-22-17/h7-11,22H,1-6H3
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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 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD2


(Homo sapiens (Human))
BDBM391587
PNG
(2,2,4-trimethyl-8-(6-methyl-7- oxo-6,7-dihydro-1H-...)
Show SMILES CN1C(=O)C(C)(C)Oc2c1cc(cc2-c1cn(C)c(=O)c2[nH]ccc12)S(C)(=O)=O
Show InChI InChI=1S/C20H21N3O5S/c1-20(2)19(25)23(4)15-9-11(29(5,26)27)8-13(17(15)28-20)14-10-22(3)18(24)16-12(14)6-7-21-16/h6-10,21H,1-5H3
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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 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD2


(Homo sapiens (Human))
BDBM391591
PNG
(6-(isopropylsulfonyl)-2,2- dimethyl-8-(6-methyl-7-...)
Show SMILES CC(C)S(=O)(=O)c1cc2NC(=O)C(C)(C)Oc2c(c1)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C21H23N3O5S/c1-11(2)30(27,28)12-8-14(18-16(9-12)23-20(26)21(3,4)29-18)15-10-24(5)19(25)17-13(15)6-7-22-17/h6-11,22H,1-5H3,(H,23,26)
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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 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM391530
PNG
(US9957268, Example 26)
Show SMILES COc1cc2NC(=O)C(Oc2c(c1)-c1cn(C)c(=O)c2[nH]ncc12)C(C)C
Show InChI InChI=1/C19H20N4O4/c1-9(2)16-18(24)21-14-6-10(26-4)5-11(17(14)27-16)13-8-23(3)19(25)15-12(13)7-20-22-15/h5-9,16H,1-4H3,(H,20,22)(H,21,24)
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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 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM391539
PNG
(US9957268, Example 35 | US9957268, Example 35A | U...)
Show SMILES COc1cc2NC(=O)C(Oc2c(c1)-c1cn(C)c(=O)c2[nH]ccc12)C1CCCC1
Show InChI InChI=1/C22H23N3O4/c1-25-11-16(14-7-8-23-18(14)22(25)27)15-9-13(28-2)10-17-20(15)29-19(21(26)24-17)12-5-3-4-6-12/h7-12,19,23H,3-6H2,1-2H3,(H,24,26)
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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 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM391542
PNG
(US9957268, Example 36)
Show SMILES CC(C)C1Oc2c(NC1=O)cc(CO)cc2-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1/C20H21N3O4/c1-10(2)17-19(25)22-15-7-11(9-24)6-13(18(15)27-17)14-8-23(3)20(26)16-12(14)4-5-21-16/h4-8,10,17,21,24H,9H2,1-3H3,(H,22,25)
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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 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD2


(Homo sapiens (Human))
BDBM391505
PNG
(US9957268, Example 5)
Show SMILES Cn1cc(-c2cccc3NC(=O)C(Oc23)c2ccccn2)c2cc[nH]c2c1=O
Show InChI InChI=1/C21H16N4O3/c1-25-11-14(12-8-10-23-17(12)21(25)27)13-5-4-7-16-18(13)28-19(20(26)24-16)15-6-2-3-9-22-15/h2-11,19,23H,1H3,(H,24,26)
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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 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM391546
PNG
(N-{[2-isopropyl-8-(6-methyl- 7-oxo-6,7-dihydro-1H-...)
Show SMILES CC(C)C1Oc2c(NC1=O)cc(CNC(C)=O)cc2-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1/C22H24N4O4/c1-11(2)19-21(28)25-17-8-13(9-24-12(3)27)7-15(20(17)30-19)16-10-26(4)22(29)18-14(16)5-6-23-18/h5-8,10-11,19,23H,9H2,1-4H3,(H,24,27)(H,25,28)
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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 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM391552
PNG
(US9957268, Example 44 | US9957268, Example 44A | U...)
Show SMILES CC(C)C1Oc2c(NC1=O)cc(cc2-c1cn(C)c(=O)c2[nH]ccc12)S(C)(=O)=O
Show InChI InChI=1/C20H21N3O5S/c1-10(2)17-19(24)22-15-8-11(29(4,26)27)7-13(18(15)28-17)14-9-23(3)20(25)16-12(14)5-6-21-16/h5-10,17,21H,1-4H3,(H,22,24)
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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 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM391552
PNG
(US9957268, Example 44 | US9957268, Example 44A | U...)
Show SMILES CC(C)C1Oc2c(NC1=O)cc(cc2-c1cn(C)c(=O)c2[nH]ccc12)S(C)(=O)=O
Show InChI InChI=1/C20H21N3O5S/c1-10(2)17-19(24)22-15-8-11(29(4,26)27)7-13(18(15)28-17)14-9-23(3)20(25)16-12(14)5-6-21-16/h5-10,17,21H,1-4H3,(H,22,24)
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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 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM391557
PNG
(2-isopropyl-4-methyl-8-(6- | US9957268, Example 47)
Show SMILES CC(C)C1Oc2c(cc(cc2-c2cn(C)c(=O)c3[nH]ccc23)S(C)(=O)=O)N(C)C1=O
Show InChI InChI=1/C21H23N3O5S/c1-11(2)18-21(26)24(4)16-9-12(30(5,27)28)8-14(19(16)29-18)15-10-23(3)20(25)17-13(15)6-7-22-17/h6-11,18,22H,1-5H3
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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 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM391577
PNG
(8-(6-methyl-7-oxo-6,7- dihydro-1H-pyrazolo[3,4- c]...)
Show SMILES Cn1cc(-c2cc(cc3NC(=O)C4(CC4)Oc23)S(C)(=O)=O)c2cn[nH]c2c1=O
Show InChI InChI=1S/C18H16N4O5S/c1-22-8-12(11-7-19-21-14(11)16(22)23)10-5-9(28(2,25)26)6-13-15(10)27-18(3-4-18)17(24)20-13/h5-8H,3-4H2,1-2H3,(H,19,21)(H,20,24)
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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 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM391579
PNG
(US9957268, Example 67)
Show SMILES CC(C)C1Oc2c(NC1=O)cc(cc2-c1cn(C)c(=O)c2[nH]ccc12)S(=O)(=O)N(C)C
Show InChI InChI=1/C21H24N4O5S/c1-11(2)18-20(26)23-16-9-12(31(28,29)24(3)4)8-14(19(16)30-18)15-10-25(5)21(27)17-13(15)6-7-22-17/h6-11,18,22H,1-5H3,(H,23,26)
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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 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM391583
PNG
(2-isopropyl-N,N,4-trimethyl- 8-(6-methyl-7-oxo-6,7...)
Show SMILES CC(C)C1Oc2c(cc(cc2-c2cn(C)c(=O)c3[nH]ccc23)S(=O)(=O)N(C)C)N(C)C1=O
Show InChI InChI=1/C22H26N4O5S/c1-12(2)19-22(28)26(6)17-10-13(32(29,30)24(3)4)9-15(20(17)31-19)16-11-25(5)21(27)18-14(16)7-8-23-18/h7-12,19,23H,1-6H3
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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 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD2


(Homo sapiens (Human))
BDBM391519
PNG
(US9957268, Example 17)
Show SMILES CC(C)C1Oc2c(NC1=O)cc(cc2-c1cn(C)c(=O)c2[nH]ccc12)C#N
Show InChI InChI=1/C20H18N4O3/c1-10(2)17-19(25)23-15-7-11(8-21)6-13(18(15)27-17)14-9-24(3)20(26)16-12(14)4-5-22-16/h4-7,9-10,17,22H,1-3H3,(H,23,25)
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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 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD2


(Homo sapiens (Human))
BDBM391529
PNG
(US9957268, Example 25)
Show SMILES COc1cc2NC(=O)C(Oc2c(c1)-c1cn(C)c(=O)c2[nH]ccc12)c1ccc(F)cc1Cl
Show InChI InChI=1/C23H17ClFN3O4/c1-28-10-16(13-5-6-26-19(13)23(28)30)15-8-12(31-2)9-18-20(15)32-21(22(29)27-18)14-4-3-11(25)7-17(14)24/h3-10,21,26H,1-2H3,(H,27,29)
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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 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD2


(Homo sapiens (Human))
BDBM391546
PNG
(N-{[2-isopropyl-8-(6-methyl- 7-oxo-6,7-dihydro-1H-...)
Show SMILES CC(C)C1Oc2c(NC1=O)cc(CNC(C)=O)cc2-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1/C22H24N4O4/c1-11(2)19-21(28)25-17-8-13(9-24-12(3)27)7-15(20(17)30-19)16-10-26(4)22(29)18-14(16)5-6-23-18/h5-8,10-11,19,23H,9H2,1-4H3,(H,24,27)(H,25,28)
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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 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD2


(Homo sapiens (Human))
BDBM391552
PNG
(US9957268, Example 44 | US9957268, Example 44A | U...)
Show SMILES CC(C)C1Oc2c(NC1=O)cc(cc2-c1cn(C)c(=O)c2[nH]ccc12)S(C)(=O)=O
Show InChI InChI=1/C20H21N3O5S/c1-10(2)17-19(24)22-15-8-11(29(4,26)27)7-13(18(15)28-17)14-9-23(3)20(25)16-12(14)5-6-21-16/h5-10,17,21H,1-4H3,(H,22,24)
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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 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD2


(Homo sapiens (Human))
BDBM391556
PNG
(8-(6-methyl-7-oxo-6,7- dihydro-1H-pyrrolo[2,3- c]p...)
Show SMILES Cn1cc(-c2cc(cc3NC(=O)C(Oc23)c2ccccc2)S(C)(=O)=O)c2cc[nH]c2c1=O
Show InChI InChI=1/C23H19N3O5S/c1-26-12-17(15-8-9-24-19(15)23(26)28)16-10-14(32(2,29)30)11-18-21(16)31-20(22(27)25-18)13-6-4-3-5-7-13/h3-12,20,24H,1-2H3,(H,25,27)
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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 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD2


(Homo sapiens (Human))
BDBM391563
PNG
(US9957268, Example 51)
Show SMILES CCS(=O)(=O)c1cc2NC(=O)C(Oc2c(c1)-c1cn(C)c(=O)c2[nH]ccc12)C(C)C
Show InChI InChI=1/C21H23N3O5S/c1-5-30(27,28)12-8-14(15-10-24(4)21(26)17-13(15)6-7-22-17)19-16(9-12)23-20(25)18(29-19)11(2)3/h6-11,18,22H,5H2,1-4H3,(H,23,25)
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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 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD2


(Homo sapiens (Human))
BDBM391564
PNG
(2-isopropyl-6- (isopropylsulfonyl)-8-(6- methyl-7-...)
Show SMILES CC(C)C1Oc2c(NC1=O)cc(cc2-c1cn(C)c(=O)c2[nH]ccc12)S(=O)(=O)C(C)C
Show InChI InChI=1/C22H25N3O5S/c1-11(2)19-21(26)24-17-9-13(31(28,29)12(3)4)8-15(20(17)30-19)16-10-25(5)22(27)18-14(16)6-7-23-18/h6-12,19,23H,1-5H3,(H,24,26)
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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 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD2


(Homo sapiens (Human))
BDBM391568
PNG
(2-isopropyl-6- (isopropylsulfonyl)-4-methyl- 8-(6-...)
Show SMILES CC(C)C1Oc2c(cc(cc2-c2cn(C)c(=O)c3[nH]ccc23)S(=O)(=O)C(C)C)N(C)C1=O
Show InChI InChI=1/C23H27N3O5S/c1-12(2)20-23(28)26(6)18-10-14(32(29,30)13(3)4)9-16(21(18)31-20)17-11-25(5)22(27)19-15(17)7-8-24-19/h7-13,20,24H,1-6H3
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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 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD2


(Homo sapiens (Human))
BDBM391571
PNG
(8'-(6-methyl-7-oxo-6,7-dihydro- 1H-pyrrolo[2,3-c]p...)
Show SMILES Cn1cc(-c2cc(cc3NC(=O)C4(CCCC4)Oc23)S(C)(=O)=O)c2cc[nH]c2c1=O
Show InChI InChI=1S/C21H21N3O5S/c1-24-11-15(13-5-8-22-17(13)19(24)25)14-9-12(30(2,27)28)10-16-18(14)29-21(20(26)23-16)6-3-4-7-21/h5,8-11,22H,3-4,6-7H2,1-2H3,(H,23,26)
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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 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD2


(Homo sapiens (Human))
BDBM391573
PNG
((3R)-3-isopropyl-5-(6-methyl-7- oxo-6,7-dihydro-1H...)
Show SMILES CC(C)[C@H]1Oc2c(NC1=O)cc(cc2-c1cn(C)c(=O)c2[nH]ccc12)S(C)(=O)=O
Show InChI InChI=1/C20H21N3O5S/c1-10(2)17-19(24)22-15-8-11(29(4,26)27)7-13(18(15)28-17)14-9-23(3)20(25)16-12(14)5-6-21-16/h5-10,17,21H,1-4H3,(H,22,24)/t17-/s2
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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 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD2


(Homo sapiens (Human))
BDBM391575
PNG
(US9957268, Example 63)
Show SMILES CN1C(=O)C2(CC2)Oc2c1cc(cc2-c1cn(C)c(=O)c2[nH]ccc12)S(C)(=O)=O
Show InChI InChI=1S/C20H19N3O5S/c1-22-10-14(12-4-7-21-16(12)18(22)24)13-8-11(29(3,26)27)9-15-17(13)28-20(5-6-20)19(25)23(15)2/h4,7-10,21H,5-6H2,1-3H3
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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 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD2


(Homo sapiens (Human))
BDBM391588
PNG
(6-(ethylsulfonyl)-2,2,4- trimethyl-8-(6-methyl-7-o...)
Show SMILES CCS(=O)(=O)c1cc2N(C)C(=O)C(C)(C)Oc2c(c1)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C21H23N3O5S/c1-6-30(27,28)12-9-14(15-11-23(4)19(25)17-13(15)7-8-22-17)18-16(10-12)24(5)20(26)21(2,3)29-18/h7-11,22H,6H2,1-5H3
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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 US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM391529
PNG
(US9957268, Example 25)
Show SMILES COc1cc2NC(=O)C(Oc2c(c1)-c1cn(C)c(=O)c2[nH]ccc12)c1ccc(F)cc1Cl
Show InChI InChI=1/C23H17ClFN3O4/c1-28-10-16(13-5-6-26-19(13)23(28)30)15-8-12(31-2)9-18-20(15)32-21(22(29)27-18)14-4-3-11(25)7-17(14)24/h3-10,21,26H,1-2H3,(H,27,29)
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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 US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM391531
PNG
(US9957268, Example 27)
Show SMILES COc1cc2NC(=O)C(C)(C)Oc2c(c1)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C19H19N3O4/c1-19(2)18(24)21-14-8-10(25-4)7-12(16(14)26-19)13-9-22(3)17(23)15-11(13)5-6-20-15/h5-9,20H,1-4H3,(H,21,24)
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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 US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM391535
PNG
(US9957268, Example 31)
Show SMILES Cn1cc(-c2cccc3NC(=O)C(C)(C)Oc23)c2cc[nH]c2c1=O
Show InChI InChI=1S/C18H17N3O3/c1-18(2)17(23)20-13-6-4-5-11(15(13)24-18)12-9-21(3)16(22)14-10(12)7-8-19-14/h4-9,19H,1-3H3,(H,20,23)
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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 US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM391543
PNG
(US9957268, Example 37)
Show SMILES COCc1cc2NC(=O)C(Oc2c(c1)-c1cn(C)c(=O)c2[nH]ccc12)C(C)C
Show InChI InChI=1/C21H23N3O4/c1-11(2)18-20(25)23-16-8-12(10-27-4)7-14(19(16)28-18)15-9-24(3)21(26)17-13(15)5-6-22-17/h5-9,11,18,22H,10H2,1-4H3,(H,23,25)
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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 US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD2


(Homo sapiens (Human))
BDBM391507
PNG
(US9957268, Example 7)
Show SMILES Cn1cc(-c2cccc3NC(=O)C(Oc23)C2CCOCC2)c2cc[nH]c2c1=O
Show InChI InChI=1/C21H21N3O4/c1-24-11-15(13-5-8-22-17(13)21(24)26)14-3-2-4-16-19(14)28-18(20(25)23-16)12-6-9-27-10-7-12/h2-5,8,11-12,18,22H,6-7,9-10H2,1H3,(H,23,25)
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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 US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD2


(Homo sapiens (Human))
BDBM391515
PNG
(2-[2-isopropyl-6-methoxy-8- (6-methyl-7-oxo-6,7-di...)
Show SMILES COc1cc2N(CC(N)=O)C(=O)C(Oc2c(c1)-c1cn(C)c(=O)c2[nH]ccc12)C(C)C
Show InChI InChI=1/C22H24N4O5/c1-11(2)19-22(29)26(10-17(23)27)16-8-12(30-4)7-14(20(16)31-19)15-9-25(3)21(28)18-13(15)5-6-24-18/h5-9,11,19,24H,10H2,1-4H3,(H2,23,27)
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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 US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM391562
PNG
(US9957268, Example 50)
Show SMILES CC(C)C1Oc2c(NC1=O)cc(cc2-c1cn(C)c(=O)c2[nH]ccc12)C(C)O
Show InChI InChI=1/C21H23N3O4/c1-10(2)18-20(26)23-16-8-12(11(3)25)7-14(19(16)28-18)15-9-24(4)21(27)17-13(15)5-6-22-17/h5-11,18,22,25H,1-4H3,(H,23,26)
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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 US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM391566
PNG
(4-ethyl-2-isopropyl-8-(6- methyl-7-oxo-6,7-dihydro...)
Show SMILES CCC1Oc2c(NC1=O)cc(cc2-c1cn(C)c(=O)c2[nH]ccc12)S(C)(=O)=O
Show InChI InChI=1/C19H19N3O5S/c1-4-15-18(23)21-14-8-10(28(3,25)26)7-12(17(14)27-15)13-9-22(2)19(24)16-11(13)5-6-20-16/h5-9,15,20H,4H2,1-3H3,(H,21,23)
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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 US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM391569
PNG
(US9957268, Example 57)
Show SMILES Cn1cc(-c2cc(cc3NC(=O)C4(CC4)Oc23)S(C)(=O)=O)c2cc[nH]c2c1=O
Show InChI InChI=1S/C19H17N3O5S/c1-22-9-13(11-3-6-20-15(11)17(22)23)12-7-10(28(2,25)26)8-14-16(12)27-19(4-5-19)18(24)21-14/h3,6-9,20H,4-5H2,1-2H3,(H,21,24)
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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 US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM391570
PNG
(US9957268, Example 58)
Show SMILES Cn1cc(-c2cc(cc3NC(=O)C(C)(C)Nc23)S(C)(=O)=O)c2cc[nH]c2c1=O
Show InChI InChI=1S/C19H20N4O4S/c1-19(2)18(25)21-14-8-10(28(4,26)27)7-12(15(14)22-19)13-9-23(3)17(24)16-11(13)5-6-20-16/h5-9,20,22H,1-4H3,(H,21,25)
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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 US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM391576
PNG
(US9957268, Example 64)
Show SMILES Cn1cc(-c2cc(cc3NC(=O)C4(CCCCC4)Nc23)S(C)(=O)=O)c2cc[nH]c2c1=O
Show InChI InChI=1S/C22H24N4O4S/c1-26-12-16(14-6-9-23-19(14)20(26)27)15-10-13(31(2,29)30)11-17-18(15)25-22(21(28)24-17)7-4-3-5-8-22/h6,9-12,23,25H,3-5,7-8H2,1-2H3,(H,24,28)
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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 US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD2


(Homo sapiens (Human))
BDBM391518
PNG
(2,4-diisopropyl-6-methoxy-8- | US9957268, Example ...)
Show SMILES COc1cc2N(CC(C)C)C(=O)C(Oc2c(c1)-c1cn(C)c(=O)c2[nH]ccc12)C(C)C
Show InChI InChI=1/C24H29N3O4/c1-13(2)11-27-19-10-15(30-6)9-17(22(19)31-21(14(3)4)24(27)29)18-12-26(5)23(28)20-16(18)7-8-25-20/h7-10,12-14,21,25H,11H2,1-6H3
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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 US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD2


(Homo sapiens (Human))
BDBM391523
PNG
(US9957268, Example 21)
Show SMILES CC(C)C1Oc2c(NC1=O)cc(cc2-c1cn(C)c(=O)c2[nH]ccc12)[N+]([O-])=O
Show InChI InChI=1/C19H18N4O5/c1-9(2)16-18(24)21-14-7-10(23(26)27)6-12(17(14)28-16)13-8-22(3)19(25)15-11(13)4-5-20-15/h4-9,16,20H,1-3H3,(H,21,24)
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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 US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD2


(Homo sapiens (Human))
BDBM391527
PNG
(US9957268, Example 24A)
Show SMILES COc1cc2NC(=O)[C@@H](Oc2c(c1)-c1cn(C)c(=O)c2[nH]ccc12)c1ccccc1
Show InChI InChI=1/C23H19N3O4/c1-26-12-17(15-8-9-24-19(15)23(26)28)16-10-14(29-2)11-18-21(16)30-20(22(27)25-18)13-6-4-3-5-7-13/h3-12,20,24H,1-2H3,(H,25,27)/t20-/s2
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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 US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD2


(Homo sapiens (Human))
BDBM391528
PNG
(US9957268, Example 24B)
Show SMILES COc1cc2NC(=O)[C@H](Oc2c(c1)-c1cn(C)c(=O)c2[nH]ccc12)c1ccccc1
Show InChI InChI=1/C23H19N3O4/c1-26-12-17(15-8-9-24-19(15)23(26)28)16-10-14(29-2)11-18-21(16)30-20(22(27)25-18)13-6-4-3-5-7-13/h3-12,20,24H,1-2H3,(H,25,27)/t20-/s2
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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 US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD2


(Homo sapiens (Human))
BDBM391536
PNG
(US9957268, Example 32)
Show SMILES Cn1cc(-c2cccc3NC(=O)C(C)(C)Nc23)c2cc[nH]c2c1=O
Show InChI InChI=1S/C18H18N4O2/c1-18(2)17(24)20-13-6-4-5-10(14(13)21-18)12-9-22(3)16(23)15-11(12)7-8-19-15/h4-9,19,21H,1-3H3,(H,20,24)
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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 US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD2


(Homo sapiens (Human))
BDBM391539
PNG
(US9957268, Example 35 | US9957268, Example 35A | U...)
Show SMILES COc1cc2NC(=O)C(Oc2c(c1)-c1cn(C)c(=O)c2[nH]ccc12)C1CCCC1
Show InChI InChI=1/C22H23N3O4/c1-25-11-16(14-7-8-23-18(14)22(25)27)15-9-13(28-2)10-17-20(15)29-19(21(26)24-17)12-5-3-4-6-12/h7-12,19,23H,3-6H2,1-2H3,(H,24,26)
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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 US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD2


(Homo sapiens (Human))
BDBM391566
PNG
(4-ethyl-2-isopropyl-8-(6- methyl-7-oxo-6,7-dihydro...)
Show SMILES CCC1Oc2c(NC1=O)cc(cc2-c1cn(C)c(=O)c2[nH]ccc12)S(C)(=O)=O
Show InChI InChI=1/C19H19N3O5S/c1-4-15-18(23)21-14-8-10(28(3,25)26)7-12(17(14)27-15)13-9-22(2)19(24)16-11(13)5-6-20-16/h5-9,15,20H,4H2,1-3H3,(H,21,23)
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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 US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD2


(Homo sapiens (Human))
BDBM391567
PNG
(6-(ethylsulfonyl)-2-isopropyl- 4-methyl-8-(6-methy...)
Show SMILES CCS(=O)(=O)c1cc2NC(=O)C(C)Oc2c(c1)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1/C19H19N3O5S/c1-4-28(25,26)11-7-13(17-15(8-11)21-18(23)10(2)27-17)14-9-22(3)19(24)16-12(14)5-6-20-16/h5-10,20H,4H2,1-3H3,(H,21,23)
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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 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD2


(Homo sapiens (Human))
BDBM391584
PNG
(2,2-dimethyl-8-(6-methyl-7- oxo-6,7-dihydro-1H- py...)
Show SMILES CN1C(=O)C(C)(C)Oc2c1cc(cc2-c1cn(C)c(=O)c2[nH]ccc12)S(=O)(=O)N1CCCCC1
Show InChI InChI=1S/C24H28N4O5S/c1-24(2)23(30)27(4)19-13-15(34(31,32)28-10-6-5-7-11-28)12-17(21(19)33-24)18-14-26(3)22(29)20-16(18)8-9-25-20/h8-9,12-14,25H,5-7,10-11H2,1-4H3
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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 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD2


(Homo sapiens (Human))
BDBM391589
PNG
(6-(isopropylsulfonyl)-2,2,4- trimethyl-8-(6-methyl...)
Show SMILES CC(C)S(=O)(=O)c1cc2N(C)C(=O)C(C)(C)Oc2c(c1)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C22H25N3O5S/c1-12(2)31(28,29)13-9-15(16-11-24(5)20(26)18-14(16)7-8-23-18)19-17(10-13)25(6)21(27)22(3,4)30-19/h7-12,23H,1-6H3
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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 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD2


(Homo sapiens (Human))
BDBM391590
PNG
(6-(ethylsulfonyl)-2,2- dimethyl-8-(6-methyl-7-oxo-...)
Show SMILES CCS(=O)(=O)c1cc2NC(=O)C(C)(C)Oc2c(c1)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C20H21N3O5S/c1-5-29(26,27)11-8-13(17-15(9-11)22-19(25)20(2,3)28-17)14-10-23(4)18(24)16-12(14)6-7-21-16/h6-10,21H,5H2,1-4H3,(H,22,25)
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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 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD2


(Homo sapiens (Human))
BDBM391597
PNG
(US9957268, Example 83B)
Show SMILES C[C@@H](O)c1cc2N(C)C(=O)C(C)(C)Oc2c(c1)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1/C21H23N3O4/c1-11(25)12-8-14(15-10-23(4)19(26)17-13(15)6-7-22-17)18-16(9-12)24(5)20(27)21(2,3)28-18/h6-11,22,25H,1-5H3/t11-/s2
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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 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM391525
PNG
(2-cyclopropyl-6-methoxy-8- (6-methyl-7-oxo-6,7-dih...)
Show SMILES COc1cc2NC(=O)C(Oc2c(c1)-c1cn(C)c(=O)c2[nH]ccc12)C1CC1
Show InChI InChI=1/C20H19N3O4/c1-23-9-14(12-5-6-21-16(12)20(23)25)13-7-11(26-2)8-15-18(13)27-17(10-3-4-10)19(24)22-15/h5-10,17,21H,3-4H2,1-2H3,(H,22,24)
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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 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD2


(Homo sapiens (Human))
BDBM391503
PNG
(2-methyl-8-(6-methyl-7-oxo- | US9957268, Example 3)
Show SMILES CC1Oc2c(NC1=O)cccc2-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1/C17H15N3O3/c1-9-16(21)19-13-5-3-4-11(15(13)23-9)12-8-20(2)17(22)14-10(12)6-7-18-14/h3-9,18H,1-2H3,(H,19,21)
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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 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD2


(Homo sapiens (Human))
BDBM391508
PNG
(US9957268, Example 8)
Show SMILES CCC1Oc2c(cccc2-c2cn(C)c(=O)c3[nH]ccc23)N(C)C1=O
Show InChI InChI=1/C19H19N3O3/c1-4-15-18(23)22(3)14-7-5-6-12(17(14)25-15)13-10-21(2)19(24)16-11(13)8-9-20-16/h5-10,15,20H,4H2,1-3H3
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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 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD2


(Homo sapiens (Human))
BDBM391514
PNG
(US9957268, Example 12)
Show SMILES CNC(=O)CN1C(=O)C(Oc2c1cc(OC)cc2-c1cn(C)c(=O)c2[nH]ccc12)C(C)C
Show InChI InChI=1/C23H26N4O5/c1-12(2)20-23(30)27(11-18(28)24-3)17-9-13(31-5)8-15(21(17)32-20)16-10-26(4)22(29)19-14(16)6-7-25-19/h6-10,12,20,25H,11H2,1-5H3,(H,24,28)
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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 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD2


(Homo sapiens (Human))
BDBM391525
PNG
(2-cyclopropyl-6-methoxy-8- (6-methyl-7-oxo-6,7-dih...)
Show SMILES COc1cc2NC(=O)C(Oc2c(c1)-c1cn(C)c(=O)c2[nH]ccc12)C1CC1
Show InChI InChI=1/C20H19N3O4/c1-23-9-14(12-5-6-21-16(12)20(23)25)13-7-11(26-2)8-15-18(13)27-17(10-3-4-10)19(24)22-15/h5-10,17,21H,3-4H2,1-2H3,(H,22,24)
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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 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD2


(Homo sapiens (Human))
BDBM391543
PNG
(US9957268, Example 37)
Show SMILES COCc1cc2NC(=O)C(Oc2c(c1)-c1cn(C)c(=O)c2[nH]ccc12)C(C)C
Show InChI InChI=1/C21H23N3O4/c1-11(2)18-20(25)23-16-8-12(10-27-4)7-14(19(16)28-18)15-9-24(3)21(26)17-13(15)5-6-22-17/h5-9,11,18,22H,10H2,1-4H3,(H,23,25)
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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 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD2


(Homo sapiens (Human))
BDBM391547
PNG
(2-isopropyl-8-(6-methyl-7- oxo-6,7-dihydro-1H- pyr...)
Show SMILES CC(C)C1Oc2c(NC1=O)cc(cc2-c1cn(C)c(=O)c2[nH]ccc12)C(N)=O
Show InChI InChI=1/C20H20N4O4/c1-9(2)16-19(26)23-14-7-10(18(21)25)6-12(17(14)28-16)13-8-24(3)20(27)15-11(13)4-5-22-15/h4-9,16,22H,1-3H3,(H2,21,25)(H,23,26)
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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 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD2


(Homo sapiens (Human))
BDBM391548
PNG
(US9957268, Example 42 | US9957268, Example 42A | U...)
Show SMILES COc1cc2NC(=O)C(Oc2c(c1)-c1cn(C)c(=O)c2[nH]ncc12)C1CCCC1
Show InChI InChI=1/C21H22N4O4/c1-25-10-15(14-9-22-24-17(14)21(25)27)13-7-12(28-2)8-16-19(13)29-18(20(26)23-16)11-5-3-4-6-11/h7-11,18H,3-6H2,1-2H3,(H,22,24)(H,23,26)
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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 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD2


(Homo sapiens (Human))
BDBM391551
PNG
(US9957268, Example 43)
Show SMILES CC(C)C1Oc2c(NC1=O)cc(cc2-c1cn(C)c(=O)c2[nH]ccc12)-c1ccco1
Show InChI InChI=1/C23H21N3O4/c1-12(2)20-22(27)25-17-10-13(18-5-4-8-29-18)9-15(21(17)30-20)16-11-26(3)23(28)19-14(16)6-7-24-19/h4-12,20,24H,1-3H3,(H,25,27)
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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 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD2


(Homo sapiens (Human))
BDBM391555
PNG
(2,2-dimethyl-8-(6-methyl-7- | US9957268, Example 4...)
Show SMILES Cn1cc(-c2cc(cc3NC(=O)C(C)(C)Oc23)S(C)(=O)=O)c2cc[nH]c2c1=O
Show InChI InChI=1S/C19H19N3O5S/c1-19(2)18(24)21-14-8-10(28(4,25)26)7-12(16(14)27-19)13-9-22(3)17(23)15-11(13)5-6-20-15/h5-9,20H,1-4H3,(H,21,24)
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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 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD2


(Homo sapiens (Human))
BDBM391558
PNG
(US9957268, Example 47A)
Show SMILES CC(C)[C@@H]1Oc2c(cc(cc2-c2cn(C)c(=O)c3[nH]ccc23)S(C)(=O)=O)N(C)C1=O
Show InChI InChI=1/C21H23N3O5S/c1-11(2)18-21(26)24(4)16-9-12(30(5,27)28)8-14(19(16)29-18)15-10-23(3)20(25)17-13(15)6-7-22-17/h6-11,18,22H,1-5H3/t18-/s2
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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 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD2


(Homo sapiens (Human))
BDBM391565
PNG
(4-(cyclopropylmethyl)-2- isopropyl-8-(6-methyl-7-o...)
Show SMILES Cn1cc(-c2cc(cc3NC(=O)C(CC4CC4)Oc23)S(C)(=O)=O)c2cc[nH]c2c1=O
Show InChI InChI=1/C21H21N3O5S/c1-24-10-15(13-5-6-22-18(13)21(24)26)14-8-12(30(2,27)28)9-16-19(14)29-17(20(25)23-16)7-11-3-4-11/h5-6,8-11,17,22H,3-4,7H2,1-2H3,(H,23,25)
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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 US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD2


(Homo sapiens (Human))
BDBM391501
PNG
(US9957268, Example 1)
Show SMILES Cn1cc(-c2cccc3NC(=O)C(Oc23)c2ccccc2)c2cc[nH]c2c1=O
Show InChI InChI=1/C22H17N3O3/c1-25-12-16(14-10-11-23-18(14)22(25)27)15-8-5-9-17-20(15)28-19(21(26)24-17)13-6-3-2-4-7-13/h2-12,19,23H,1H3,(H,24,26)
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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 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM391548
PNG
(US9957268, Example 42 | US9957268, Example 42A | U...)
Show SMILES COc1cc2NC(=O)C(Oc2c(c1)-c1cn(C)c(=O)c2[nH]ncc12)C1CCCC1
Show InChI InChI=1/C21H22N4O4/c1-25-10-15(14-9-22-24-17(14)21(25)27)13-7-12(28-2)8-16-19(13)29-18(20(26)23-16)11-5-3-4-6-11/h7-11,18H,3-6H2,1-2H3,(H,22,24)(H,23,26)
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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 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD2


(Homo sapiens (Human))
BDBM391509
PNG
(US9957268, Example 9 | US9957268, Example 9A | US9...)
Show SMILES COc1cc2NC(=O)C(Oc2c(c1)-c1cn(C)c(=O)c2[nH]ccc12)C(C)C
Show InChI InChI=1/C20H21N3O4/c1-10(2)17-19(24)22-15-8-11(26-4)7-13(18(15)27-17)14-9-23(3)20(25)16-12(14)5-6-21-16/h5-10,17,21H,1-4H3,(H,22,24)
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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 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM391552
PNG
(US9957268, Example 44 | US9957268, Example 44A | U...)
Show SMILES CC(C)C1Oc2c(NC1=O)cc(cc2-c1cn(C)c(=O)c2[nH]ccc12)S(C)(=O)=O
Show InChI InChI=1/C20H21N3O5S/c1-10(2)17-19(24)22-15-8-11(29(4,26)27)7-13(18(15)28-17)14-9-23(3)20(25)16-12(14)5-6-21-16/h5-10,17,21H,1-4H3,(H,22,24)
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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 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM391501
PNG
(US9957268, Example 1)
Show SMILES Cn1cc(-c2cccc3NC(=O)C(Oc23)c2ccccc2)c2cc[nH]c2c1=O
Show InChI InChI=1/C22H17N3O3/c1-25-12-16(14-10-11-23-18(14)22(25)27)15-8-5-9-17-20(15)28-19(21(26)24-17)13-6-3-2-4-7-13/h2-12,19,23H,1H3,(H,24,26)
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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 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM391509
PNG
(US9957268, Example 9 | US9957268, Example 9A | US9...)
Show SMILES COc1cc2NC(=O)C(Oc2c(c1)-c1cn(C)c(=O)c2[nH]ccc12)C(C)C
Show InChI InChI=1/C20H21N3O4/c1-10(2)17-19(24)22-15-8-11(26-4)7-13(18(15)27-17)14-9-23(3)20(25)16-12(14)5-6-21-16/h5-10,17,21H,1-4H3,(H,22,24)
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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 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM391563
PNG
(US9957268, Example 51)
Show SMILES CCS(=O)(=O)c1cc2NC(=O)C(Oc2c(c1)-c1cn(C)c(=O)c2[nH]ccc12)C(C)C
Show InChI InChI=1/C21H23N3O5S/c1-5-30(27,28)12-8-14(15-10-24(4)21(26)17-13(15)6-7-22-17)19-16(9-12)23-20(25)18(29-19)11(2)3/h6-11,18,22H,5H2,1-4H3,(H,23,25)
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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 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM391573
PNG
((3R)-3-isopropyl-5-(6-methyl-7- oxo-6,7-dihydro-1H...)
Show SMILES CC(C)[C@H]1Oc2c(NC1=O)cc(cc2-c1cn(C)c(=O)c2[nH]ccc12)S(C)(=O)=O
Show InChI InChI=1/C20H21N3O5S/c1-10(2)17-19(24)22-15-8-11(29(4,26)27)7-13(18(15)28-17)14-9-23(3)20(25)16-12(14)5-6-21-16/h5-10,17,21H,1-4H3,(H,22,24)/t17-/s2
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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 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM391581
PNG
(N,N,2,2,4-pentamethyl-8-(6- methyl-7-oxo-6,7-dihyd...)
Show SMILES CN(C)S(=O)(=O)c1cc2N(C)C(=O)C(C)(C)Oc2c(c1)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C21H24N4O5S/c1-21(2)20(27)25(6)16-10-12(31(28,29)23(3)4)9-14(18(16)30-21)15-11-24(5)19(26)17-13(15)7-8-22-17/h7-11,22H,1-6H3
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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 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM391597
PNG
(US9957268, Example 83B)
Show SMILES C[C@@H](O)c1cc2N(C)C(=O)C(C)(C)Oc2c(c1)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1/C21H23N3O4/c1-11(25)12-8-14(15-10-23(4)19(26)17-13(15)6-7-22-17)18-16(9-12)24(5)20(27)21(2,3)28-18/h6-11,22,25H,1-5H3/t11-/s2
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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 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD2


(Homo sapiens (Human))
BDBM391520
PNG
(US9957268, Example 18)
Show SMILES CC(C)C1Oc2c(cc(cc2-c2cn(C)c(=O)c3[nH]ccc23)C#N)N(C)C1=O
Show InChI InChI=1/C21H20N4O3/c1-11(2)18-21(27)25(4)16-8-12(9-22)7-14(19(16)28-18)15-10-24(3)20(26)17-13(15)5-6-23-17/h5-8,10-11,18,23H,1-4H3
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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 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD2


(Homo sapiens (Human))
BDBM391521
PNG
(US9957268, Example 19)
Show SMILES CC(C)C1Oc2c(cc(cc2-c2cn(C)c(=O)c3[nH]ccc23)C(N)=O)N(C)C1=O
Show InChI InChI=1/C21H22N4O4/c1-10(2)17-21(28)25(4)15-8-11(19(22)26)7-13(18(15)29-17)14-9-24(3)20(27)16-12(14)5-6-23-16/h5-10,17,23H,1-4H3,(H2,22,26)
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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 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD2


(Homo sapiens (Human))
BDBM391526
PNG
(6-methoxy-8-(6-methyl-7- oxo-6,7-dihydro-1H- pyrro...)
Show SMILES COc1cc2NC(=O)C(Oc2c(c1)-c1cn(C)c(=O)c2[nH]ccc12)c1ccccc1
Show InChI InChI=1/C23H19N3O4/c1-26-12-17(15-8-9-24-19(15)23(26)28)16-10-14(29-2)11-18-21(16)30-20(22(27)25-18)13-6-4-3-5-7-13/h3-12,20,24H,1-2H3,(H,25,27)
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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 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD2


(Homo sapiens (Human))
BDBM391535
PNG
(US9957268, Example 31)
Show SMILES Cn1cc(-c2cccc3NC(=O)C(C)(C)Oc23)c2cc[nH]c2c1=O
Show InChI InChI=1S/C18H17N3O3/c1-18(2)17(23)20-13-6-4-5-11(15(13)24-18)12-9-21(3)16(22)14-10(12)7-8-19-14/h4-9,19H,1-3H3,(H,20,23)
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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 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD2


(Homo sapiens (Human))
BDBM391538
PNG
(2-isopropyl-N,N-dimethyl-8- (6-methyl-7-oxo-6,7-di...)
Show SMILES CC(C)C1Oc2c(NC1=O)cc(cc2-c1cn(C)c(=O)c2[nH]ccc12)C(=O)N(C)C
Show InChI InChI=1/C22H24N4O4/c1-11(2)18-20(27)24-16-9-12(21(28)25(3)4)8-14(19(16)30-18)15-10-26(5)22(29)17-13(15)6-7-23-17/h6-11,18,23H,1-5H3,(H,24,27)
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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 US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD2


(Homo sapiens (Human))
BDBM391539
PNG
(US9957268, Example 35 | US9957268, Example 35A | U...)
Show SMILES COc1cc2NC(=O)C(Oc2c(c1)-c1cn(C)c(=O)c2[nH]ccc12)C1CCCC1
Show InChI InChI=1/C22H23N3O4/c1-25-11-16(14-7-8-23-18(14)22(25)27)15-9-13(28-2)10-17-20(15)29-19(21(26)24-17)12-5-3-4-6-12/h7-12,19,23H,3-6H2,1-2H3,(H,24,26)
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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 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD2


(Homo sapiens (Human))
BDBM391569
PNG
(US9957268, Example 57)
Show SMILES Cn1cc(-c2cc(cc3NC(=O)C4(CC4)Oc23)S(C)(=O)=O)c2cc[nH]c2c1=O
Show InChI InChI=1S/C19H17N3O5S/c1-22-9-13(11-3-6-20-15(11)17(22)23)12-7-10(28(2,25)26)8-14-16(12)27-19(4-5-19)18(24)21-14/h3,6-9,20H,4-5H2,1-2H3,(H,21,24)
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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 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD2


(Homo sapiens (Human))
BDBM391579
PNG
(US9957268, Example 67)
Show SMILES CC(C)C1Oc2c(NC1=O)cc(cc2-c1cn(C)c(=O)c2[nH]ccc12)S(=O)(=O)N(C)C
Show InChI InChI=1/C21H24N4O5S/c1-11(2)18-20(26)23-16-9-12(31(28,29)24(3)4)8-14(19(16)30-18)15-10-25(5)21(27)17-13(15)6-7-22-17/h6-11,18,22H,1-5H3,(H,23,26)
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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 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD2


(Homo sapiens (Human))
BDBM391583
PNG
(2-isopropyl-N,N,4-trimethyl- 8-(6-methyl-7-oxo-6,7...)
Show SMILES CC(C)C1Oc2c(cc(cc2-c2cn(C)c(=O)c3[nH]ccc23)S(=O)(=O)N(C)C)N(C)C1=O
Show InChI InChI=1/C22H26N4O5S/c1-12(2)19-22(28)26(6)17-10-13(32(29,30)24(3)4)9-15(20(17)31-19)16-11-25(5)21(27)18-14(16)7-8-23-18/h7-12,19,23H,1-6H3
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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 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD2


(Homo sapiens (Human))
BDBM391584
PNG
(2,2-dimethyl-8-(6-methyl-7- oxo-6,7-dihydro-1H- py...)
Show SMILES CN1C(=O)C(C)(C)Oc2c1cc(cc2-c1cn(C)c(=O)c2[nH]ccc12)S(=O)(=O)N1CCCCC1
Show InChI InChI=1S/C24H28N4O5S/c1-24(2)23(30)27(4)19-13-15(34(31,32)28-10-6-5-7-11-28)12-17(21(19)33-24)18-14-26(3)22(29)20-16(18)8-9-25-20/h8-9,12-14,25H,5-7,10-11H2,1-4H3
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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 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD2


(Homo sapiens (Human))
BDBM391594
PNG
(6-acetyl-2,2,4-trimethyl-8-(6- methyl-7-oxo-6,7-di...)
Show SMILES CN1C(=O)C(C)(C)Oc2c1cc(cc2-c1cn(C)c(=O)c2[nH]ccc12)C(C)=O
Show InChI InChI=1S/C21H21N3O4/c1-11(25)12-8-14(15-10-23(4)19(26)17-13(15)6-7-22-17)18-16(9-12)24(5)20(27)21(2,3)28-18/h6-10,22H,1-5H3
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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 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM391527
PNG
(US9957268, Example 24A)
Show SMILES COc1cc2NC(=O)[C@@H](Oc2c(c1)-c1cn(C)c(=O)c2[nH]ccc12)c1ccccc1
Show InChI InChI=1/C23H19N3O4/c1-26-12-17(15-8-9-24-19(15)23(26)28)16-10-14(29-2)11-18-21(16)30-20(22(27)25-18)13-6-4-3-5-7-13/h3-12,20,24H,1-2H3,(H,25,27)/t20-/s2
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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 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM391528
PNG
(US9957268, Example 24B)
Show SMILES COc1cc2NC(=O)[C@H](Oc2c(c1)-c1cn(C)c(=O)c2[nH]ccc12)c1ccccc1
Show InChI InChI=1/C23H19N3O4/c1-26-12-17(15-8-9-24-19(15)23(26)28)16-10-14(29-2)11-18-21(16)30-20(22(27)25-18)13-6-4-3-5-7-13/h3-12,20,24H,1-2H3,(H,25,27)/t20-/s2
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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 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM391539
PNG
(US9957268, Example 35 | US9957268, Example 35A | U...)
Show SMILES COc1cc2NC(=O)C(Oc2c(c1)-c1cn(C)c(=O)c2[nH]ccc12)C1CCCC1
Show InChI InChI=1/C22H23N3O4/c1-25-11-16(14-7-8-23-18(14)22(25)27)15-9-13(28-2)10-17-20(15)29-19(21(26)24-17)12-5-3-4-6-12/h7-12,19,23H,3-6H2,1-2H3,(H,24,26)
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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 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM391548
PNG
(US9957268, Example 42 | US9957268, Example 42A | U...)
Show SMILES COc1cc2NC(=O)C(Oc2c(c1)-c1cn(C)c(=O)c2[nH]ncc12)C1CCCC1
Show InChI InChI=1/C21H22N4O4/c1-25-10-15(14-9-22-24-17(14)21(25)27)13-7-12(28-2)8-16-19(13)29-18(20(26)23-16)11-5-3-4-6-11/h7-11,18H,3-6H2,1-2H3,(H,22,24)(H,23,26)
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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 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD2


(Homo sapiens (Human))
BDBM391512
PNG
(US9957268, Example 10)
Show SMILES COc1cc2N(C)C(=O)C(Oc2c(c1)-c1cn(C)c(=O)c2[nH]ccc12)C(C)C
Show InChI InChI=1/C21H23N3O4/c1-11(2)18-21(26)24(4)16-9-12(27-5)8-14(19(16)28-18)15-10-23(3)20(25)17-13(15)6-7-22-17/h6-11,18,22H,1-5H3
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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 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM391509
PNG
(US9957268, Example 9 | US9957268, Example 9A | US9...)
Show SMILES COc1cc2NC(=O)C(Oc2c(c1)-c1cn(C)c(=O)c2[nH]ccc12)C(C)C
Show InChI InChI=1/C20H21N3O4/c1-10(2)17-19(24)22-15-8-11(26-4)7-13(18(15)27-17)14-9-23(3)20(25)16-12(14)5-6-21-16/h5-10,17,21H,1-4H3,(H,22,24)
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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 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM391509
PNG
(US9957268, Example 9 | US9957268, Example 9A | US9...)
Show SMILES COc1cc2NC(=O)C(Oc2c(c1)-c1cn(C)c(=O)c2[nH]ccc12)C(C)C
Show InChI InChI=1/C20H21N3O4/c1-10(2)17-19(24)22-15-8-11(26-4)7-13(18(15)27-17)14-9-23(3)20(25)16-12(14)5-6-21-16/h5-10,17,21H,1-4H3,(H,22,24)
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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 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM391512
PNG
(US9957268, Example 10)
Show SMILES COc1cc2N(C)C(=O)C(Oc2c(c1)-c1cn(C)c(=O)c2[nH]ccc12)C(C)C
Show InChI InChI=1/C21H23N3O4/c1-11(2)18-21(26)24(4)16-9-12(27-5)8-14(19(16)28-18)15-10-23(3)20(25)17-13(15)6-7-22-17/h6-11,18,22H,1-5H3
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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 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM391517
PNG
(2-isopropyl-6-methoxy-8-(6- methyl-7-oxo-6,7-dihyd...)
Show SMILES COc1cc2N(Cc3ccncc3)C(=O)C(Oc2c(c1)-c1cn(C)c(=O)c2[nH]ccc12)C(C)C
Show InChI InChI=1/C26H26N4O4/c1-15(2)23-26(32)30(13-16-5-8-27-9-6-16)21-12-17(33-4)11-19(24(21)34-23)20-14-29(3)25(31)22-18(20)7-10-28-22/h5-12,14-15,23,28H,13H2,1-4H3
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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 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM391558
PNG
(US9957268, Example 47A)
Show SMILES CC(C)[C@@H]1Oc2c(cc(cc2-c2cn(C)c(=O)c3[nH]ccc23)S(C)(=O)=O)N(C)C1=O
Show InChI InChI=1/C21H23N3O5S/c1-11(2)18-21(26)24(4)16-9-12(30(5,27)28)8-14(19(16)29-18)15-10-23(3)20(25)17-13(15)6-7-22-17/h6-11,18,22H,1-5H3/t18-/s2
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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 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM391561
PNG
(6-acetyl-2-isopropyl-8-(6- methyl-7-oxo-6,7-dihydr...)
Show SMILES CC(C)C1Oc2c(NC1=O)cc(cc2-c1cn(C)c(=O)c2[nH]ccc12)C(C)=O
Show InChI InChI=1/C21H21N3O4/c1-10(2)18-20(26)23-16-8-12(11(3)25)7-14(19(16)28-18)15-9-24(4)21(27)17-13(15)5-6-22-17/h5-10,18,22H,1-4H3,(H,23,26)
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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 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM391564
PNG
(2-isopropyl-6- (isopropylsulfonyl)-8-(6- methyl-7-...)
Show SMILES CC(C)C1Oc2c(NC1=O)cc(cc2-c1cn(C)c(=O)c2[nH]ccc12)S(=O)(=O)C(C)C
Show InChI InChI=1/C22H25N3O5S/c1-11(2)19-21(26)24-17-9-13(31(28,29)12(3)4)8-15(20(17)30-19)16-10-25(5)22(27)18-14(16)6-7-23-18/h6-12,19,23H,1-5H3,(H,24,26)
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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 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM391567
PNG
(6-(ethylsulfonyl)-2-isopropyl- 4-methyl-8-(6-methy...)
Show SMILES CCS(=O)(=O)c1cc2NC(=O)C(C)Oc2c(c1)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1/C19H19N3O5S/c1-4-28(25,26)11-7-13(17-15(8-11)21-18(23)10(2)27-17)14-9-22(3)19(24)16-12(14)5-6-20-16/h5-10,20H,4H2,1-3H3,(H,21,23)
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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 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM391575
PNG
(US9957268, Example 63)
Show SMILES CN1C(=O)C2(CC2)Oc2c1cc(cc2-c1cn(C)c(=O)c2[nH]ccc12)S(C)(=O)=O
Show InChI InChI=1S/C20H19N3O5S/c1-22-10-14(12-4-7-21-16(12)18(22)24)13-8-11(29(3,26)27)9-15-17(13)28-20(5-6-20)19(25)23(15)2/h4,7-10,21H,5-6H2,1-3H3
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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 US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM391590
PNG
(6-(ethylsulfonyl)-2,2- dimethyl-8-(6-methyl-7-oxo-...)
Show SMILES CCS(=O)(=O)c1cc2NC(=O)C(C)(C)Oc2c(c1)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C20H21N3O5S/c1-5-29(26,27)11-8-13(17-15(9-11)22-19(25)20(2,3)28-17)14-10-23(4)18(24)16-12(14)6-7-21-16/h6-10,21H,5H2,1-4H3,(H,22,25)
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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 US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM391591
PNG
(6-(isopropylsulfonyl)-2,2- dimethyl-8-(6-methyl-7-...)
Show SMILES CC(C)S(=O)(=O)c1cc2NC(=O)C(C)(C)Oc2c(c1)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C21H23N3O5S/c1-11(2)30(27,28)12-8-14(18-16(9-12)23-20(26)21(3,4)29-18)15-10-24(5)19(25)17-13(15)6-7-22-17/h6-11,22H,1-5H3,(H,23,26)
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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 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM391596
PNG
(US9957268, Example 83A)
Show SMILES C[C@H](O)c1cc2N(C)C(=O)C(C)(C)Oc2c(c1)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1/C21H23N3O4/c1-11(25)12-8-14(15-10-23(4)19(26)17-13(15)6-7-22-17)18-16(9-12)24(5)20(27)21(2,3)28-18/h6-11,22,25H,1-5H3/t11-/s2
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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 US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM391598
PNG
(US9957268, Example 84)
Show SMILES CC(C)C1Oc2c(NC1=O)cc(cc2-c1cn(C)c(=O)c2[nH]ncc12)S(C)(=O)=O
Show InChI InChI=1/C19H20N4O5S/c1-9(2)16-18(24)21-14-6-10(29(4,26)27)5-11(17(14)28-16)13-8-23(3)19(25)15-12(13)7-20-22-15/h5-9,16H,1-4H3,(H,20,22)(H,21,24)
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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 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD2


(Homo sapiens (Human))
BDBM391524
PNG
(US9957268, Example 22)
Show SMILES COc1cc2N(C)CC(Oc2c(c1)-c1cn(C)c(=O)c2[nH]ccc12)C(C)C
Show InChI InChI=1/C21H25N3O3/c1-12(2)18-11-23(3)17-9-13(26-5)8-15(20(17)27-18)16-10-24(4)21(25)19-14(16)6-7-22-19/h6-10,12,18,22H,11H2,1-5H3
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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 US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD2


(Homo sapiens (Human))
BDBM391532
PNG
(US9957268, Example 28)
Show SMILES CC(C)C1Oc2c(NC1=O)cc(cc2-c1cn(C)c(=O)c2[nH]ccc12)-c1cnn(C)c1
Show InChI InChI=1/C23H23N5O3/c1-12(2)20-22(29)26-18-8-13(14-9-25-28(4)10-14)7-16(21(18)31-20)17-11-27(3)23(30)19-15(17)5-6-24-19/h5-12,20,24H,1-4H3,(H,26,29)
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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 US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD2


(Homo sapiens (Human))
BDBM391533
PNG
(US9957268, Example 29)
Show SMILES COc1cc2NC(=O)C(C)(C)Oc2c(c1)-c1cn(C)c(=O)c2[nH]ncc12
Show InChI InChI=1S/C18H18N4O4/c1-18(2)17(24)20-13-6-9(25-4)5-10(15(13)26-18)12-8-22(3)16(23)14-11(12)7-19-21-14/h5-8H,1-4H3,(H,19,21)(H,20,24)
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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 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD2


(Homo sapiens (Human))
BDBM391539
PNG
(US9957268, Example 35 | US9957268, Example 35A | U...)
Show SMILES COc1cc2NC(=O)C(Oc2c(c1)-c1cn(C)c(=O)c2[nH]ccc12)C1CCCC1
Show InChI InChI=1/C22H23N3O4/c1-25-11-16(14-7-8-23-18(14)22(25)27)15-9-13(28-2)10-17-20(15)29-19(21(26)24-17)12-5-3-4-6-12/h7-12,19,23H,3-6H2,1-2H3,(H,24,26)
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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 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD2


(Homo sapiens (Human))
BDBM391544
PNG
(US9957268, Example 38)
Show SMILES CC(C)C1Oc2c(NC1=O)cc(CN)cc2-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1/C20H22N4O3/c1-10(2)17-19(25)23-15-7-11(8-21)6-13(18(15)27-17)14-9-24(3)20(26)16-12(14)4-5-22-16/h4-7,9-10,17,22H,8,21H2,1-3H3,(H,23,25)
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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 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD2


(Homo sapiens (Human))
BDBM391557
PNG
(2-isopropyl-4-methyl-8-(6- | US9957268, Example 47)
Show SMILES CC(C)C1Oc2c(cc(cc2-c2cn(C)c(=O)c3[nH]ccc23)S(C)(=O)=O)N(C)C1=O
Show InChI InChI=1/C21H23N3O5S/c1-11(2)18-21(26)24(4)16-9-12(30(5,27)28)8-14(19(16)29-18)15-10-23(3)20(25)17-13(15)6-7-22-17/h6-11,18,22H,1-5H3
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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 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD2


(Homo sapiens (Human))
BDBM391559
PNG
(US9957268, Example 47B)
Show SMILES CC(C)[C@H]1Oc2c(cc(cc2-c2cn(C)c(=O)c3[nH]ccc23)S(C)(=O)=O)N(C)C1=O
Show InChI InChI=1/C21H23N3O5S/c1-11(2)18-21(26)24(4)16-9-12(30(5,27)28)8-14(19(16)29-18)15-10-23(3)20(25)17-13(15)6-7-22-17/h6-11,18,22H,1-5H3/t18-/s2
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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 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD2


(Homo sapiens (Human))
BDBM391570
PNG
(US9957268, Example 58)
Show SMILES Cn1cc(-c2cc(cc3NC(=O)C(C)(C)Nc23)S(C)(=O)=O)c2cc[nH]c2c1=O
Show InChI InChI=1S/C19H20N4O4S/c1-19(2)18(25)21-14-8-10(28(4,26)27)7-12(15(14)22-19)13-9-23(3)17(24)16-11(13)5-6-20-16/h5-9,20,22H,1-4H3,(H,21,25)
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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 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD2


(Homo sapiens (Human))
BDBM391576
PNG
(US9957268, Example 64)
Show SMILES Cn1cc(-c2cc(cc3NC(=O)C4(CCCCC4)Nc23)S(C)(=O)=O)c2cc[nH]c2c1=O
Show InChI InChI=1S/C22H24N4O4S/c1-26-12-16(14-6-9-23-19(14)20(26)27)15-10-13(31(2,29)30)11-17-18(15)25-22(21(28)24-17)7-4-3-5-8-22/h6,9-12,23,25H,3-5,7-8H2,1-2H3,(H,24,28)
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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 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD2


(Homo sapiens (Human))
BDBM391582
PNG
(N,N,2,2-tetramethyl-8-(6- methyl-7-oxo-6,7-dihydro...)
Show SMILES CN(C)S(=O)(=O)c1cc2NC(=O)C(C)(C)Oc2c(c1)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C20H22N4O5S/c1-20(2)19(26)22-15-9-11(30(27,28)23(3)4)8-13(17(15)29-20)14-10-24(5)18(25)16-12(14)6-7-21-16/h6-10,21H,1-5H3,(H,22,26)
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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 US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD2


(Homo sapiens (Human))
BDBM391595
PNG
(6-(1-hydroxyethyl)-2,2,4- trimethyl-8-(6-methyl-7-...)
Show SMILES CC(O)c1cc2N(C)C(=O)C(C)(C)Oc2c(c1)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1/C21H23N3O4/c1-11(25)12-8-14(15-10-23(4)19(26)17-13(15)6-7-22-17)18-16(9-12)24(5)20(27)21(2,3)28-18/h6-11,22,25H,1-5H3
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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 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD2


(Homo sapiens (Human))
BDBM391596
PNG
(US9957268, Example 83A)
Show SMILES C[C@H](O)c1cc2N(C)C(=O)C(C)(C)Oc2c(c1)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1/C21H23N3O4/c1-11(25)12-8-14(15-10-23(4)19(26)17-13(15)6-7-22-17)18-16(9-12)24(5)20(27)21(2,3)28-18/h6-11,22,25H,1-5H3/t11-/s2
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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 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD2


(Homo sapiens (Human))
BDBM391598
PNG
(US9957268, Example 84)
Show SMILES CC(C)C1Oc2c(NC1=O)cc(cc2-c1cn(C)c(=O)c2[nH]ncc12)S(C)(=O)=O
Show InChI InChI=1/C19H20N4O5S/c1-9(2)16-18(24)21-14-6-10(29(4,26)27)5-11(17(14)28-16)13-8-23(3)19(25)15-12(13)7-20-22-15/h5-9,16H,1-4H3,(H,20,22)(H,21,24)
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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 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM391536
PNG
(US9957268, Example 32)
Show SMILES Cn1cc(-c2cccc3NC(=O)C(C)(C)Nc23)c2cc[nH]c2c1=O
Show InChI InChI=1S/C18H18N4O2/c1-18(2)17(24)20-13-6-4-5-10(14(13)21-18)12-9-22(3)16(23)15-11(12)7-8-19-15/h4-9,19,21H,1-3H3,(H,20,24)
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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 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM391519
PNG
(US9957268, Example 17)
Show SMILES CC(C)C1Oc2c(NC1=O)cc(cc2-c1cn(C)c(=O)c2[nH]ccc12)C#N
Show InChI InChI=1/C20H18N4O3/c1-10(2)17-19(25)23-15-7-11(8-21)6-13(18(15)27-17)14-9-24(3)20(26)16-12(14)4-5-22-16/h4-7,9-10,17,22H,1-3H3,(H,23,25)
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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 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM391513
PNG
(US9957268, Example 11)
Show SMILES COc1cc2N(CC(O)=O)C(=O)C(Oc2c(c1)-c1cn(C)c(=O)c2[nH]ccc12)C(C)C
Show InChI InChI=1/C22H23N3O6/c1-11(2)19-22(29)25(10-17(26)27)16-8-12(30-4)7-14(20(16)31-19)15-9-24(3)21(28)18-13(15)5-6-23-18/h5-9,11,19,23H,10H2,1-4H3,(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 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM391521
PNG
(US9957268, Example 19)
Show SMILES CC(C)C1Oc2c(cc(cc2-c2cn(C)c(=O)c3[nH]ccc23)C(N)=O)N(C)C1=O
Show InChI InChI=1/C21H22N4O4/c1-10(2)17-21(28)25(4)15-8-11(19(22)26)7-13(18(15)29-17)14-9-24(3)20(27)16-12(14)5-6-23-16/h5-10,17,23H,1-4H3,(H2,22,26)
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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 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM391523
PNG
(US9957268, Example 21)
Show SMILES CC(C)C1Oc2c(NC1=O)cc(cc2-c1cn(C)c(=O)c2[nH]ccc12)[N+]([O-])=O
Show InChI InChI=1/C19H18N4O5/c1-9(2)16-18(24)21-14-7-10(23(26)27)6-12(17(14)28-16)13-8-22(3)19(25)15-11(13)4-5-20-15/h4-9,16,20H,1-3H3,(H,21,24)
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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 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM391504
PNG
(2-ethyl-8-(6-methyl-7-oxo- | US9957268, Example 4)
Show SMILES CCC1Oc2c(NC1=O)cccc2-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1/C18H17N3O3/c1-3-14-17(22)20-13-6-4-5-11(16(13)24-14)12-9-21(2)18(23)15-10(12)7-8-19-15/h4-9,14,19H,3H2,1-2H3,(H,20,22)
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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 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM391514
PNG
(US9957268, Example 12)
Show SMILES CNC(=O)CN1C(=O)C(Oc2c1cc(OC)cc2-c1cn(C)c(=O)c2[nH]ccc12)C(C)C
Show InChI InChI=1/C23H26N4O5/c1-12(2)20-23(30)27(11-18(28)24-3)17-9-13(31-5)8-15(21(17)32-20)16-10-26(4)22(29)19-14(16)6-7-25-19/h6-10,12,20,25H,11H2,1-5H3,(H,24,28)
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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 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM391520
PNG
(US9957268, Example 18)
Show SMILES CC(C)C1Oc2c(cc(cc2-c2cn(C)c(=O)c3[nH]ccc23)C#N)N(C)C1=O
Show InChI InChI=1/C21H20N4O3/c1-11(2)18-21(27)25(4)16-8-12(9-22)7-14(19(16)28-18)15-10-24(3)20(26)17-13(15)5-6-23-17/h5-8,10-11,18,23H,1-4H3
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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 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM391524
PNG
(US9957268, Example 22)
Show SMILES COc1cc2N(C)CC(Oc2c(c1)-c1cn(C)c(=O)c2[nH]ccc12)C(C)C
Show InChI InChI=1/C21H25N3O3/c1-12(2)18-11-23(3)17-9-13(26-5)8-15(20(17)27-18)16-10-24(4)21(25)19-14(16)6-7-22-19/h6-10,12,18,22H,11H2,1-5H3
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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 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM391518
PNG
(2,4-diisopropyl-6-methoxy-8- | US9957268, Example ...)
Show SMILES COc1cc2N(CC(C)C)C(=O)C(Oc2c(c1)-c1cn(C)c(=O)c2[nH]ccc12)C(C)C
Show InChI InChI=1/C24H29N3O4/c1-13(2)11-27-19-10-15(30-6)9-17(22(19)31-21(14(3)4)24(27)29)18-12-26(5)23(28)20-16(18)7-8-25-20/h7-10,12-14,21,25H,11H2,1-6H3
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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 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM391532
PNG
(US9957268, Example 28)
Show SMILES CC(C)C1Oc2c(NC1=O)cc(cc2-c1cn(C)c(=O)c2[nH]ccc12)-c1cnn(C)c1
Show InChI InChI=1/C23H23N5O3/c1-12(2)20-22(29)26-18-8-13(14-9-25-28(4)10-14)7-16(21(18)31-20)17-11-27(3)23(30)19-15(17)5-6-24-19/h5-12,20,24H,1-4H3,(H,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 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM391544
PNG
(US9957268, Example 38)
Show SMILES CC(C)C1Oc2c(NC1=O)cc(CN)cc2-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1/C20H22N4O3/c1-10(2)17-19(25)23-15-7-11(8-21)6-13(18(15)27-17)14-9-24(3)20(26)16-12(14)4-5-22-16/h4-7,9-10,17,22H,8,21H2,1-3H3,(H,23,25)
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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 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM391505
PNG
(US9957268, Example 5)
Show SMILES Cn1cc(-c2cccc3NC(=O)C(Oc23)c2ccccn2)c2cc[nH]c2c1=O
Show InChI InChI=1/C21H16N4O3/c1-25-11-14(12-8-10-23-17(12)21(25)27)13-5-4-7-16-18(13)28-19(20(26)24-16)15-6-2-3-9-22-15/h2-11,19,23H,1H3,(H,24,26)
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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 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD2


(Homo sapiens (Human))
BDBM391513
PNG
(US9957268, Example 11)
Show SMILES COc1cc2N(CC(O)=O)C(=O)C(Oc2c(c1)-c1cn(C)c(=O)c2[nH]ccc12)C(C)C
Show InChI InChI=1/C22H23N3O6/c1-11(2)19-22(29)25(10-17(26)27)16-8-12(30-4)7-14(20(16)31-19)15-9-24(3)21(28)18-13(15)5-6-23-18/h5-9,11,19,23H,10H2,1-4H3,(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 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM391515
PNG
(2-[2-isopropyl-6-methoxy-8- (6-methyl-7-oxo-6,7-di...)
Show SMILES COc1cc2N(CC(N)=O)C(=O)C(Oc2c(c1)-c1cn(C)c(=O)c2[nH]ccc12)C(C)C
Show InChI InChI=1/C22H24N4O5/c1-11(2)19-22(29)26(10-17(23)27)16-8-12(30-4)7-14(20(16)31-19)15-9-25(3)21(28)18-13(15)5-6-24-18/h5-9,11,19,24H,10H2,1-4H3,(H2,23,27)
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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 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM391516
PNG
(2-isopropyl-6-methoxy-8-(6- methyl-7-oxo-6,7-dihyd...)
Show SMILES COc1cc2N(CC(=O)N3CCN(C)CC3)C(=O)C(Oc2c(c1)-c1cn(C)c(=O)c2[nH]ccc12)C(C)C
Show InChI InChI=1/C27H33N5O5/c1-16(2)24-27(35)32(15-22(33)31-10-8-29(3)9-11-31)21-13-17(36-5)12-19(25(21)37-24)20-14-30(4)26(34)23-18(20)6-7-28-23/h6-7,12-14,16,24,28H,8-11,15H2,1-5H3
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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 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM391551
PNG
(US9957268, Example 43)
Show SMILES CC(C)C1Oc2c(NC1=O)cc(cc2-c1cn(C)c(=O)c2[nH]ccc12)-c1ccco1
Show InChI InChI=1/C23H21N3O4/c1-12(2)20-22(27)25-17-10-13(18-5-4-8-29-18)9-15(21(17)30-20)16-11-26(3)23(28)19-14(16)6-7-24-19/h4-12,20,24H,1-3H3,(H,25,27)
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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 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM391508
PNG
(US9957268, Example 8)
Show SMILES CCC1Oc2c(cccc2-c2cn(C)c(=O)c3[nH]ccc23)N(C)C1=O
Show InChI InChI=1/C19H19N3O3/c1-4-15-18(23)22(3)14-7-5-6-12(17(14)25-15)13-10-21(2)19(24)16-11(13)8-9-20-16/h5-10,15,20H,4H2,1-3H3
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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 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US9957268 (2018)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM391503
PNG
(2-methyl-8-(6-methyl-7-oxo- | US9957268, Example 3)
Show SMILES CC1Oc2c(NC1=O)cccc2-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1/C17H15N3O3/c1-9-16(21)19-13-5-3-4-11(15(13)23-9)12-8-20(2)17(22)14-10(12)6-7-18-14/h3-9,18H,1-2H3,(H,19,21)
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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 40 μL for BD1 and 60 μL for BD2. Inhib...


US Patent US9957268 (2018)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%