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Patent code US9918990

Compile Data Set for Download or QSAR

Found 226 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
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM376551
PNG
(US9918990, Example 12)
Show SMILES Cn1cc(-c2ccc3[nH]cnc3c2OCC2CC2)c2cc[nH]c2c1=O
Show InChI InChI=1S/C19H18N4O2/c1-23-8-14(12-6-7-20-16(12)19(23)24)13-4-5-15-17(22-10-21-15)18(13)25-9-11-2-3-11/h4-8,10-11,20H,2-3,9H2,1H3,(H,21,22)
PDB

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US Patent
n/an/a<100n/an/an/an/an/an/a



Incyte Corporation

US Patent


Assay Description
BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 20 μL for BD1 and 40 μL for BD2. Inhib...


US Patent US9918990 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM376554
PNG
(US9918990, Example 15)
Show SMILES Cc1nc2c(Oc3ccc(F)cc3F)c(ccc2[nH]1)-c1cn(C)c(=O)c2[nH]ncc12
Show InChI InChI=1S/C21H15F2N5O2/c1-10-25-16-5-4-12(14-9-28(2)21(29)18-13(14)8-24-27-18)20(19(16)26-10)30-17-6-3-11(22)7-15(17)23/h3-9H,1-2H3,(H,24,27)(H,25,26)
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 20 μL for BD1 and 40 μL for BD2. Inhib...


US Patent US9918990 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM376554
PNG
(US9918990, Example 15)
Show SMILES Cc1nc2c(Oc3ccc(F)cc3F)c(ccc2[nH]1)-c1cn(C)c(=O)c2[nH]ncc12
Show InChI InChI=1S/C21H15F2N5O2/c1-10-25-16-5-4-12(14-9-28(2)21(29)18-13(14)8-24-27-18)20(19(16)26-10)30-17-6-3-11(22)7-15(17)23/h3-9H,1-2H3,(H,24,27)(H,25,26)
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 20 μL for BD1 and 40 μL for BD2. Inhib...


US Patent US9918990 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM376566
PNG
(5-(6-Methyl-7-oxo-6,7-dihydro-1H- pyrrolo[2,3-c]py...)
Show SMILES Cn1cc(-c2ccc3[nH]c(=O)[nH]c3c2OC2CCCOC2)c2cc[nH]c2c1=O
Show InChI InChI=1/C20H20N4O4/c1-24-9-14(12-6-7-21-16(12)19(24)25)13-4-5-15-17(23-20(26)22-15)18(13)28-11-3-2-8-27-10-11/h4-7,9,11,21H,2-3,8,10H2,1H3,(H2,22,23,26)
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 20 μL for BD1 and 40 μL for BD2. Inhib...


US Patent US9918990 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM376567
PNG
(US9918990, Example 27)
Show SMILES Cn1c2ccc(c(OCc3ccccc3)c2[nH]c1=O)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C23H20N4O3/c1-26-12-17(15-10-11-24-19(15)22(26)28)16-8-9-18-20(25-23(29)27(18)2)21(16)30-13-14-6-4-3-5-7-14/h3-12,24H,13H2,1-2H3,(H,25,29)
PDB

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


US Patent US9918990 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM376569
PNG
(1-Methyl-5-(6-methyl-7-oxo-6,7-dihydro- 1H-pyrrolo...)
Show SMILES Cn1c2ccc(c(OC3CCOCC3)c2[nH]c1=O)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C21H22N4O4/c1-24-11-15(13-5-8-22-17(13)20(24)26)14-3-4-16-18(23-21(27)25(16)2)19(14)29-12-6-9-28-10-7-12/h3-5,8,11-12,22H,6-7,9-10H2,1-2H3,(H,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 20 μL for BD1 and 40 μL for BD2. Inhib...


US Patent US9918990 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM376570
PNG
(4-[7-(2,4-Difluorophenoxy)-1-(2-morpholin-4-yl-2-o...)
Show SMILES Cn1cc(-c2ccc3ncn(CC(=O)N4CCOCC4)c3c2Oc2ccc(F)cc2F)c2cc[nH]c2c1=O
Show InChI InChI=1S/C27H23F2N5O4/c1-32-13-19(17-6-7-30-24(17)27(32)36)18-3-4-21-25(26(18)38-22-5-2-16(28)12-20(22)29)34(15-31-21)14-23(35)33-8-10-37-11-9-33/h2-7,12-13,15,30H,8-11,14H2,1H3
PDB

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


US Patent US9918990 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM376578
PNG
(4-(Cyclobutylmethoxy)-1-methyl-5-(6- methyl-7-oxo-...)
Show SMILES Cn1c2ccc(c(OCC3CCC3)c2[nH]c1=O)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C21H22N4O3/c1-24-10-15(13-8-9-22-17(13)20(24)26)14-6-7-16-18(23-21(27)25(16)2)19(14)28-11-12-4-3-5-12/h6-10,12,22H,3-5,11H2,1-2H3,(H,23,27)
PDB

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


US Patent US9918990 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM376579
PNG
(1-Methyl-5-(6-methyl-7-oxo-6,7-dihydro- 1H-pyrrolo...)
Show SMILES Cn1c2ccc(c(Oc3ccccc3)c2[nH]c1=O)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C22H18N4O3/c1-25-12-16(14-10-11-23-18(14)21(25)27)15-8-9-17-19(24-22(28)26(17)2)20(15)29-13-6-4-3-5-7-13/h3-12,23H,1-2H3,(H,24,28)
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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 20 μL for BD1 and 40 μL for BD2. Inhib...


US Patent US9918990 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM376581
PNG
(4-(2-Fluorophenoxy)-1-methyl-5-(6- methyl-7-oxo-6,...)
Show SMILES Cn1c2ccc(c(Oc3ccccc3F)c2[nH]c1=O)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C22H17FN4O3/c1-26-11-14(12-9-10-24-18(12)21(26)28)13-7-8-16-19(25-22(29)27(16)2)20(13)30-17-6-4-3-5-15(17)23/h3-11,24H,1-2H3,(H,25,29)
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 20 μL for BD1 and 40 μL for BD2. Inhib...


US Patent US9918990 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM376585
PNG
(US9918990, Example 43)
Show SMILES Cn1cc(-c2ccc3n(CCN4CCOCC4)cnc3c2Oc2ccccc2)c2cc[nH]c2c1=O
Show InChI InChI=1S/C27H27N5O3/c1-30-17-22(20-9-10-28-24(20)27(30)33)21-7-8-23-25(26(21)35-19-5-3-2-4-6-19)29-18-32(23)12-11-31-13-15-34-16-14-31/h2-10,17-18,28H,11-16H2,1H3
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 20 μL for BD1 and 40 μL for BD2. Inhib...


US Patent US9918990 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM376589
PNG
(4-(1-Benzyl-4-phenoxy-1H-benzimidazol- 5-yl)-6-met...)
Show SMILES Cn1cc(-c2ccc3n(Cc4ccccc4)cnc3c2Oc2ccccc2)c2cc[nH]c2c1=O
Show InChI InChI=1S/C28H22N4O2/c1-31-17-23(21-14-15-29-25(21)28(31)33)22-12-13-24-26(27(22)34-20-10-6-3-7-11-20)30-18-32(24)16-19-8-4-2-5-9-19/h2-15,17-18,29H,16H2,1H3
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 20 μL for BD1 and 40 μL for BD2. Inhib...


US Patent US9918990 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM376591
PNG
(6-Methyl-4-[4-phenoxy-1-(2-phenylethyl)- 1H-benzim...)
Show SMILES Cn1cc(-c2ccc3n(CCc4ccccc4)cnc3c2Oc2ccccc2)c2cc[nH]c2c1=O
Show InChI InChI=1S/C29H24N4O2/c1-32-18-24(22-14-16-30-26(22)29(32)34)23-12-13-25-27(28(23)35-21-10-6-3-7-11-21)31-19-33(25)17-15-20-8-4-2-5-9-20/h2-14,16,18-19,30H,15,17H2,1H3
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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 20 μL for BD1 and 40 μL for BD2. Inhib...


US Patent US9918990 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM376592
PNG
(4-Methoxy-1-methyl-5-(6-methyl-7-oxo-6,7- dihydro-...)
Show SMILES COc1c(ccc2n(C)c(=O)n(CCc3ccccc3)c12)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C25H24N4O3/c1-27-15-19(17-11-13-26-21(17)24(27)30)18-9-10-20-22(23(18)32-3)29(25(31)28(20)2)14-12-16-7-5-4-6-8-16/h4-11,13,15,26H,12,14H2,1-3H3
PDB

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Assay Description
BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 20 μL for BD1 and 40 μL for BD2. Inhib...


US Patent US9918990 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM376594
PNG
(4-[6-(6-Methyl-7-oxo-6,7-dihydro-1H- pyrrolo[2,3-c...)
Show SMILES Cn1cc(-c2ccc3ncn(CCCC#N)c3c2Oc2ccccc2)c2cc[nH]c2c1=O
Show InChI InChI=1S/C25H21N5O2/c1-29-15-20(18-11-13-27-22(18)25(29)31)19-9-10-21-23(30(16-28-21)14-6-5-12-26)24(19)32-17-7-3-2-4-8-17/h2-4,7-11,13,15-16,27H,5-6,14H2,1H3
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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 20 μL for BD1 and 40 μL for BD2. Inhib...


US Patent US9918990 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM376595
PNG
(4-[5-(6-Methyl-7-oxo-6,7-dihydro-1H- pyrrolo[2,3-c...)
Show SMILES Cn1cc(-c2ccc3n(CCCC#N)cnc3c2Oc2ccccc2)c2cc[nH]c2c1=O
Show InChI InChI=1S/C25H21N5O2/c1-29-15-20(18-11-13-27-22(18)25(29)31)19-9-10-21-23(28-16-30(21)14-6-5-12-26)24(19)32-17-7-3-2-4-8-17/h2-4,7-11,13,15-16,27H,5-6,14H2,1H3
PDB

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Assay Description
BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 20 μL for BD1 and 40 μL for BD2. Inhib...


US Patent US9918990 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM376599
PNG
(6-Methyl-4-(1-methyl-4-phenoxy-1H- benzimidazol-5-...)
Show SMILES Cn1cnc2c(Oc3ccccc3)c(ccc12)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C22H18N4O2/c1-25-12-17(15-10-11-23-19(15)22(25)27)16-8-9-18-20(24-13-26(18)2)21(16)28-14-6-4-3-5-7-14/h3-13,23H,1-2H3
PDB

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Assay Description
BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 20 μL for BD1 and 40 μL for BD2. Inhib...


US Patent US9918990 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM376600
PNG
(4-[4-(2-Fluorophenoxy)-1-methyl-1H- benzimidazol-5...)
Show SMILES Cn1cnc2c(Oc3ccccc3F)c(ccc12)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C22H17FN4O2/c1-26-11-15(13-9-10-24-19(13)22(26)28)14-7-8-17-20(25-12-27(17)2)21(14)29-18-6-4-3-5-16(18)23/h3-12,24H,1-2H3
PDB

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


US Patent US9918990 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM376611
PNG
(3-Benzyl-4-(cyclobutylmethoxy)-1-methyl-5- (6-meth...)
Show SMILES Cn1c2ccc(c(OCC3CCC3)c2n(Cc2ccccc2)c1=O)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C28H28N4O3/c1-30-16-22(20-13-14-29-24(20)27(30)33)21-11-12-23-25(26(21)35-17-19-9-6-10-19)32(28(34)31(23)2)15-18-7-4-3-5-8-18/h3-5,7-8,11-14,16,19,29H,6,9-10,15,17H2,1-2H3
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 20 μL for BD1 and 40 μL for BD2. Inhib...


US Patent US9918990 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM376616
PNG
(US9918990, Example 66)
Show SMILES CC(=O)N1CCN(CCn2c3c(OCC4CCC4)c(ccc3n(C)c2=O)-c2cn(C)c(=O)c3[nH]ccc23)CC1
Show InChI InChI=1S/C29H36N6O4/c1-19(36)34-14-11-33(12-15-34)13-16-35-26-24(32(3)29(35)38)8-7-22(27(26)39-18-20-5-4-6-20)23-17-31(2)28(37)25-21(23)9-10-30-25/h7-10,17,20,30H,4-6,11-16,18H2,1-3H3
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 20 μL for BD1 and 40 μL for BD2. Inhib...


US Patent US9918990 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM376640
PNG
(US9918990, Example 87)
Show SMILES Cn1c2ccc(c(Oc3cccc(Cl)c3)c2[nH]c1=O)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C22H17ClN4O3/c1-26-11-16(14-8-9-24-18(14)21(26)28)15-6-7-17-19(25-22(29)27(17)2)20(15)30-13-5-3-4-12(23)10-13/h3-11,24H,1-2H3,(H,25,29)
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 20 μL for BD1 and 40 μL for BD2. Inhib...


US Patent US9918990 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM376642
PNG
(4-(Cyclobutyloxy)-1-methyl-5-(6-methyl- 7-oxo-6,7-...)
Show SMILES Cn1c2ccc(c(OC3CCC3)c2[nH]c1=O)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C20H20N4O3/c1-23-10-14(12-8-9-21-16(12)19(23)25)13-6-7-15-17(22-20(26)24(15)2)18(13)27-11-4-3-5-11/h6-11,21H,3-5H2,1-2H3,(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 20 μL for BD1 and 40 μL for BD2. Inhib...


US Patent US9918990 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM376649
PNG
(US9918990, Example 96)
Show SMILES Cn1cc(-c2ccc3ocnc3c2Oc2ccccc2)c2cc[nH]c2c1=O
Show InChI InChI=1S/C21H15N3O3/c1-24-11-16(14-9-10-22-18(14)21(24)25)15-7-8-17-19(23-12-26-17)20(15)27-13-5-3-2-4-6-13/h2-12,22H,1H3
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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 20 μL for BD1 and 40 μL for BD2. Inhib...


US Patent US9918990 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM376653
PNG
(US9918990, Example 100)
Show SMILES CN1C(=O)COc2ccc(c(Oc3ccccc3)c12)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C23H19N3O4/c1-25-12-17(15-10-11-24-20(15)23(25)28)16-8-9-18-21(26(2)19(27)13-29-18)22(16)30-14-6-4-3-5-7-14/h3-12,24H,13H2,1-2H3
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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 20 μL for BD1 and 40 μL for BD2. Inhib...


US Patent US9918990 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM376657
PNG
(US9918990, Example 104)
Show SMILES CC(=O)NCc1nc2c(Oc3ccccc3)c(ccc2o1)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C24H20N4O4/c1-14(29)26-12-20-27-22-19(32-20)9-8-17(23(22)31-15-6-4-3-5-7-15)18-13-28(2)24(30)21-16(18)10-11-25-21/h3-11,13,25H,12H2,1-2H3,(H,26,29)
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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 20 μL for BD1 and 40 μL for BD2. Inhib...


US Patent US9918990 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM376658
PNG
(N-{[5-(6-Methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3- ...)
Show SMILES Cn1cc(-c2ccc3oc(CNS(C)(=O)=O)nc3c2Oc2ccccc2)c2cc[nH]c2c1=O
Show InChI InChI=1S/C23H20N4O5S/c1-27-13-17(15-10-11-24-20(15)23(27)28)16-8-9-18-21(22(16)31-14-6-4-3-5-7-14)26-19(32-18)12-25-33(2,29)30/h3-11,13,24-25H,12H2,1-2H3
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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 20 μL for BD1 and 40 μL for BD2. Inhib...


US Patent US9918990 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM376660
PNG
(N-{[5-(6-Methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3- ...)
Show SMILES Cn1cc(-c2ccc3oc(CNC(=O)Cc4ccccc4)nc3c2Oc2ccccc2)c2cc[nH]c2c1=O
Show InChI InChI=1S/C30H24N4O4/c1-34-18-23(21-14-15-31-27(21)30(34)36)22-12-13-24-28(29(22)37-20-10-6-3-7-11-20)33-26(38-24)17-32-25(35)16-19-8-4-2-5-9-19/h2-15,18,31H,16-17H2,1H3,(H,32,35)
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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 20 μL for BD1 and 40 μL for BD2. Inhib...


US Patent US9918990 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM376662
PNG
(2-Cyclopentyl-N-{[5-(6-methyl-7-oxo-6,7-dihydro- 1...)
Show SMILES Cn1cc(-c2ccc3oc(CNC(=O)CC4CCCC4)nc3c2Oc2ccccc2)c2cc[nH]c2c1=O
Show InChI InChI=1S/C29H28N4O4/c1-33-17-22(20-13-14-30-26(20)29(33)35)21-11-12-23-27(28(21)36-19-9-3-2-4-10-19)32-25(37-23)16-31-24(34)15-18-7-5-6-8-18/h2-4,9-14,17-18,30H,5-8,15-16H2,1H3,(H,31,34)
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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 20 μL for BD1 and 40 μL for BD2. Inhib...


US Patent US9918990 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM376665
PNG
(US9918990, Example 112)
Show SMILES Cn1c(CNC(=O)C2CC2)nc2c(Oc3ccccc3)c(ccc12)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C27H25N5O3/c1-31-15-20(18-12-13-28-23(18)27(31)34)19-10-11-21-24(25(19)35-17-6-4-3-5-7-17)30-22(32(21)2)14-29-26(33)16-8-9-16/h3-7,10-13,15-16,28H,8-9,14H2,1-2H3,(H,29,33)
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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 20 μL for BD1 and 40 μL for BD2. Inhib...


US Patent US9918990 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM376540
PNG
(US9918990, Example 2)
Show SMILES Cn1cc(-c2ccc3[nH]cnc3c2Oc2ccc(F)cc2F)c2cc[nH]c2c1=O
Show InChI InChI=1S/C21H14F2N4O2/c1-27-9-14(12-6-7-24-18(12)21(27)28)13-3-4-16-19(26-10-25-16)20(13)29-17-5-2-11(22)8-15(17)23/h2-10,24H,1H3,(H,25,26)
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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 20 μL for BD1 and 40 μL for BD2. Inhib...


US Patent US9918990 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM376548
PNG
(US9918990, Example 9)
Show SMILES Cn1nnc2c(Oc3ccc(F)cc3F)c(ccc12)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C21H15F2N5O2/c1-27-10-14(12-7-8-24-18(12)21(27)29)13-4-5-16-19(25-26-28(16)2)20(13)30-17-6-3-11(22)9-15(17)23/h3-10,24H,1-2H3
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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 20 μL for BD1 and 40 μL for BD2. Inhib...


US Patent US9918990 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM376548
PNG
(US9918990, Example 9)
Show SMILES Cn1nnc2c(Oc3ccc(F)cc3F)c(ccc12)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C21H15F2N5O2/c1-27-10-14(12-7-8-24-18(12)21(27)29)13-4-5-16-19(25-26-28(16)2)20(13)30-17-6-3-11(22)9-15(17)23/h3-10,24H,1-2H3
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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 20 μL for BD1 and 40 μL for BD2. Inhib...


US Patent US9918990 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM376549
PNG
(US9918990, Example 10)
Show SMILES Cn1cc(-c2ccc3[nH]nnc3c2Oc2ccc(F)cc2F)c2cn[nH]c2c1=O
Show InChI InChI=1S/C19H12F2N6O2/c1-27-8-12(11-7-22-24-16(11)19(27)28)10-3-4-14-17(25-26-23-14)18(10)29-15-5-2-9(20)6-13(15)21/h2-8H,1H3,(H,22,24)(H,23,25,26)
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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 20 μL for BD1 and 40 μL for BD2. Inhib...


US Patent US9918990 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM376550
PNG
(US9918990, Example 11)
Show SMILES Cn1cc(-c2ccc3[nH]c(=O)[nH]c3c2OCC2CC2)c2cc[nH]c2c1=O
Show InChI InChI=1S/C19H18N4O3/c1-23-8-13(11-6-7-20-15(11)18(23)24)12-4-5-14-16(22-19(25)21-14)17(12)26-9-10-2-3-10/h4-8,10,20H,2-3,9H2,1H3,(H2,21,22,25)
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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 20 μL for BD1 and 40 μL for BD2. Inhib...


US Patent US9918990 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM376556
PNG
(US9918990, Example 17)
Show SMILES Cn1cc(-c2ccc3n(CCN4CCOCC4)cnc3c2Oc2ccc(F)cc2F)c2cn[nH]c2c1=O
Show InChI InChI=1S/C26H24F2N6O3/c1-32-14-19(18-13-30-31-23(18)26(32)35)17-3-4-21-24(25(17)37-22-5-2-16(27)12-20(22)28)29-15-34(21)7-6-33-8-10-36-11-9-33/h2-5,12-15H,6-11H2,1H3,(H,30,31)
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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 20 μL for BD1 and 40 μL for BD2. Inhib...


US Patent US9918990 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM376557
PNG
(US9918990, Example 18)
Show SMILES Cn1cnc2c(Oc3ccc(F)cc3F)c(ccc12)-c1cn(C)c(=O)c2[nH]ncc12
Show InChI InChI=1S/C21H15F2N5O2/c1-27-9-14(13-8-25-26-18(13)21(27)29)12-4-5-16-19(24-10-28(16)2)20(12)30-17-6-3-11(22)7-15(17)23/h3-10H,1-2H3,(H,25,26)
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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 20 μL for BD1 and 40 μL for BD2. Inhib...


US Patent US9918990 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM376558
PNG
(US9918990, Example 19)
Show SMILES Cc1nc2c(Oc3ccc(F)cc3F)c(ccc2n1C)-c1cn(C)c(=O)c2[nH]ncc12
Show InChI InChI=1S/C22H17F2N5O2/c1-11-26-20-17(29(11)3)6-5-13(21(20)31-18-7-4-12(23)8-16(18)24)15-10-28(2)22(30)19-14(15)9-25-27-19/h4-10H,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 20 μL for BD1 and 40 μL for BD2. Inhib...


US Patent US9918990 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM376565
PNG
(4-(3-Fluorophenoxy)-5-(6-methyl-7-oxo-6,7- dihydro...)
Show SMILES Cn1cc(-c2ccc3[nH]c(=O)[nH]c3c2Oc2cccc(F)c2)c2cc[nH]c2c1=O
Show InChI InChI=1S/C21H15FN4O3/c1-26-10-15(13-7-8-23-17(13)20(26)27)14-5-6-16-18(25-21(28)24-16)19(14)29-12-4-2-3-11(22)9-12/h2-10,23H,1H3,(H2,24,25,28)
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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 20 μL for BD1 and 40 μL for BD2. Inhib...


US Patent US9918990 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM376570
PNG
(4-[7-(2,4-Difluorophenoxy)-1-(2-morpholin-4-yl-2-o...)
Show SMILES Cn1cc(-c2ccc3ncn(CC(=O)N4CCOCC4)c3c2Oc2ccc(F)cc2F)c2cc[nH]c2c1=O
Show InChI InChI=1S/C27H23F2N5O4/c1-32-13-19(17-6-7-30-24(17)27(32)36)18-3-4-21-25(26(18)38-22-5-2-16(28)12-20(22)29)34(15-31-21)14-23(35)33-8-10-37-11-9-33/h2-7,12-13,15,30H,8-11,14H2,1H3
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Assay Description
BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 20 μL for BD1 and 40 μL for BD2. Inhib...


US Patent US9918990 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM376578
PNG
(4-(Cyclobutylmethoxy)-1-methyl-5-(6- methyl-7-oxo-...)
Show SMILES Cn1c2ccc(c(OCC3CCC3)c2[nH]c1=O)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C21H22N4O3/c1-24-10-15(13-8-9-22-17(13)20(24)26)14-6-7-16-18(23-21(27)25(16)2)19(14)28-11-12-4-3-5-12/h6-10,12,22H,3-5,11H2,1-2H3,(H,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 20 μL for BD1 and 40 μL for BD2. Inhib...


US Patent US9918990 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM376595
PNG
(4-[5-(6-Methyl-7-oxo-6,7-dihydro-1H- pyrrolo[2,3-c...)
Show SMILES Cn1cc(-c2ccc3n(CCCC#N)cnc3c2Oc2ccccc2)c2cc[nH]c2c1=O
Show InChI InChI=1S/C25H21N5O2/c1-29-15-20(18-11-13-27-22(18)25(29)31)19-9-10-21-23(28-16-30(21)14-6-5-12-26)24(19)32-17-7-3-2-4-8-17/h2-4,7-11,13,15-16,27H,5-6,14H2,1H3
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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 20 μL for BD1 and 40 μL for BD2. Inhib...


US Patent US9918990 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM376606
PNG
(4-(Cyclobutylmethoxy)-1-methyl-5-(6-methyl- 7-oxo-...)
Show SMILES Cn1c2ccc(c(OCC3CCC3)c2n(CCc2ccccc2)c1=O)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C29H30N4O3/c1-31-17-23(21-13-15-30-25(21)28(31)34)22-11-12-24-26(27(22)36-18-20-9-6-10-20)33(29(35)32(24)2)16-14-19-7-4-3-5-8-19/h3-5,7-8,11-13,15,17,20,30H,6,9-10,14,16,18H2,1-2H3
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Assay Description
BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 20 μL for BD1 and 40 μL for BD2. Inhib...


US Patent US9918990 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM376619
PNG
(US9918990, Example 69)
Show SMILES Cn1cc(-c2ccc3n(CCN4CCOCC4)c(=O)[nH]c3c2Oc2ccccc2)c2cc[nH]c2c1=O
Show InChI InChI=1S/C27H27N5O4/c1-30-17-21(19-9-10-28-23(19)26(30)33)20-7-8-22-24(25(20)36-18-5-3-2-4-6-18)29-27(34)32(22)12-11-31-13-15-35-16-14-31/h2-10,17,28H,11-16H2,1H3,(H,29,34)
PDB

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Assay Description
BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 20 μL for BD1 and 40 μL for BD2. Inhib...


US Patent US9918990 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM376640
PNG
(US9918990, Example 87)
Show SMILES Cn1c2ccc(c(Oc3cccc(Cl)c3)c2[nH]c1=O)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C22H17ClN4O3/c1-26-11-16(14-8-9-24-18(14)21(26)28)15-6-7-17-19(25-22(29)27(17)2)20(15)30-13-5-3-4-12(23)10-13/h3-11,24H,1-2H3,(H,25,29)
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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 20 μL for BD1 and 40 μL for BD2. Inhib...


US Patent US9918990 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM376642
PNG
(4-(Cyclobutyloxy)-1-methyl-5-(6-methyl- 7-oxo-6,7-...)
Show SMILES Cn1c2ccc(c(OC3CCC3)c2[nH]c1=O)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C20H20N4O3/c1-23-10-14(12-8-9-21-16(12)19(23)25)13-6-7-15-17(22-20(26)24(15)2)18(13)27-11-4-3-5-11/h6-11,21H,3-5H2,1-2H3,(H,22,26)
PDB

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


US Patent US9918990 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM376649
PNG
(US9918990, Example 96)
Show SMILES Cn1cc(-c2ccc3ocnc3c2Oc2ccccc2)c2cc[nH]c2c1=O
Show InChI InChI=1S/C21H15N3O3/c1-24-11-16(14-9-10-22-18(14)21(24)25)15-7-8-17-19(23-12-26-17)20(15)27-13-5-3-2-4-6-13/h2-12,22H,1H3
PDB

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Assay Description
BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 20 μL for BD1 and 40 μL for BD2. Inhib...


US Patent US9918990 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM376651
PNG
(US9918990, Example 98)
Show SMILES CCSc1c(ccc2n(C)c(=O)[nH]c12)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C18H18N4O2S/c1-4-25-16-11(5-6-13-15(16)20-18(24)22(13)3)12-9-21(2)17(23)14-10(12)7-8-19-14/h5-9,19H,4H2,1-3H3,(H,20,24)
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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 20 μL for BD1 and 40 μL for BD2. Inhib...


US Patent US9918990 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM376658
PNG
(N-{[5-(6-Methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3- ...)
Show SMILES Cn1cc(-c2ccc3oc(CNS(C)(=O)=O)nc3c2Oc2ccccc2)c2cc[nH]c2c1=O
Show InChI InChI=1S/C23H20N4O5S/c1-27-13-17(15-10-11-24-20(15)23(27)28)16-8-9-18-21(22(16)31-14-6-4-3-5-7-14)26-19(32-18)12-25-33(2,29)30/h3-11,13,24-25H,12H2,1-2H3
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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 20 μL for BD1 and 40 μL for BD2. Inhib...


US Patent US9918990 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM376665
PNG
(US9918990, Example 112)
Show SMILES Cn1c(CNC(=O)C2CC2)nc2c(Oc3ccccc3)c(ccc12)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C27H25N5O3/c1-31-15-20(18-12-13-28-23(18)27(31)34)19-10-11-21-24(25(19)35-17-6-4-3-5-7-17)30-22(32(21)2)14-29-26(33)16-8-9-16/h3-7,10-13,15-16,28H,8-9,14H2,1-2H3,(H,29,33)
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Assay Description
BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 20 μL for BD1 and 40 μL for BD2. Inhib...


US Patent US9918990 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM376540
PNG
(US9918990, Example 2)
Show SMILES Cn1cc(-c2ccc3[nH]cnc3c2Oc2ccc(F)cc2F)c2cc[nH]c2c1=O
Show InChI InChI=1S/C21H14F2N4O2/c1-27-9-14(12-6-7-24-18(12)21(27)28)13-3-4-16-19(26-10-25-16)20(13)29-17-5-2-11(22)8-15(17)23/h2-10,24H,1H3,(H,25,26)
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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 20 μL for BD1 and 40 μL for BD2. Inhib...


US Patent US9918990 (2018)

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