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Patent code US10618910

Compile Data Set for Download or QSAR
Found 58 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 4 (aa 342-460)


(Homo sapiens (Human))
BDBM438726
PNG
(N-{1-[(4S)-7-(3,5-dimethylisoxazol-4-yl)- 4-pyridi...)
Show SMILES CC(=O)NC1(C)CCN(CC1)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23
Show InChI InChI=1S/C27H30N6O3/c1-16-23(17(2)36-31-16)19-8-9-21-24-25(19)35-15-22(20-7-5-6-12-28-20)33(24)26(29-21)32-13-10-27(4,11-14-32)30-18(3)34/h5-9,12,22H,10-11,13-15H2,1-4H3,(H,30,34)/t22-/m1/s1
PDB

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US Patent
n/an/a<25n/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 US10618910 (2020)

More data for this
Ligand-Target Pair
Bromodomain containing 4 (aa 49-170)


(Homo sapiens (Human))
BDBM362674
PNG
((4S)-7-(3,5-dimethylisoxazol-4-yl)-2-[4- (methoxya...)
Show SMILES COCC(=O)N1CCN(CC1)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23
Show InChI InChI=1S/C26H28N6O4/c1-16-23(17(2)36-29-16)18-7-8-20-24-25(18)35-14-21(19-6-4-5-9-27-19)32(24)26(28-20)31-12-10-30(11-13-31)22(33)15-34-3/h4-9,21H,10-15H2,1-3H3/t21-/m1/s1
PDB

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US Patent
n/an/a<25n/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 US10618910 (2020)

More data for this
Ligand-Target Pair
Bromodomain containing 4 (aa 342-460)


(Homo sapiens (Human))
BDBM438728
PNG
((4S)-2-[(3S)-4-acetyl-3-methylpiperazin-1- yl]-7-(...)
Show SMILES C[C@@H]1CN(CCN1C(C)=O)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23
Show InChI InChI=1S/C26H28N6O3/c1-15-13-30(11-12-31(15)18(4)33)26-28-21-9-8-19(23-16(2)29-35-17(23)3)25-24(21)32(26)22(14-34-25)20-7-5-6-10-27-20/h5-10,15,22H,11-14H2,1-4H3/t15-,22-/m1/s1
PDB

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US Patent
n/an/a<25n/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 US10618910 (2020)

More data for this
Ligand-Target Pair
Bromodomain containing 4 (aa 342-460)


(Homo sapiens (Human))
BDBM438729
PNG
((4S)-7-(3,5-dimethylisoxazol-4-yl)-2-[(3S)- 3-meth...)
Show SMILES CCC(=O)N1CCN(C[C@H]1C)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23
Show InChI InChI=1S/C27H30N6O3/c1-5-23(34)32-13-12-31(14-16(32)2)27-29-21-10-9-19(24-17(3)30-36-18(24)4)26-25(21)33(27)22(15-35-26)20-8-6-7-11-28-20/h6-11,16,22H,5,12-15H2,1-4H3/t16-,22-/m1/s1
PDB

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US Patent
n/an/a<25n/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 US10618910 (2020)

More data for this
Ligand-Target Pair
Bromodomain containing 4 (aa 342-460)


(Homo sapiens (Human))
BDBM438732
PNG
(N-{1-[(4S)-7-(3,5-dimethylisoxazol-4-yl)- 4-pyridi...)
Show SMILES Cc1noc(C)c1-c1ccc2nc(N3CCC(CC3)NC(=O)C(C)(C)C)n3[C@H](COc1c23)c1ccccn1
Show InChI InChI=1S/C29H34N6O3/c1-17-24(18(2)38-33-17)20-9-10-22-25-26(20)37-16-23(21-8-6-7-13-30-21)35(25)28(32-22)34-14-11-19(12-15-34)31-27(36)29(3,4)5/h6-10,13,19,23H,11-12,14-16H2,1-5H3,(H,31,36)/t23-/m1/s1
PDB

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US Patent
n/an/a<25n/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 US10618910 (2020)

More data for this
Ligand-Target Pair
Bromodomain containing 4 (aa 49-170)


(Homo sapiens (Human))
BDBM438733
PNG
(N-{1-[(4S)-7-(3,5-dimethylisoxazol-4-yl)- 4-pyridi...)
Show SMILES Cc1noc(C)c1-c1ccc2nc(N3CCC(CC3)NC(=O)C3CC3)n3[C@H](COc1c23)c1ccccn1
Show InChI InChI=1S/C28H30N6O3/c1-16-24(17(2)37-32-16)20-8-9-22-25-26(20)36-15-23(21-5-3-4-12-29-21)34(25)28(31-22)33-13-10-19(11-14-33)30-27(35)18-6-7-18/h3-5,8-9,12,18-19,23H,6-7,10-11,13-15H2,1-2H3,(H,30,35)/t23-/m1/s1
PDB

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US Patent
n/an/a<25n/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 US10618910 (2020)

More data for this
Ligand-Target Pair
Bromodomain containing 4 (aa 49-170)


(Homo sapiens (Human))
BDBM438736
PNG
(N-{1-[(4S)-7-(3,5-dimethylisoxazol-4-yl)- 4-pyridi...)
Show SMILES CCC(=O)N(C)C1CCN(CC1)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23
Show InChI InChI=1S/C28H32N6O3/c1-5-24(35)32(4)19-11-14-33(15-12-19)28-30-22-10-9-20(25-17(2)31-37-18(25)3)27-26(22)34(28)23(16-36-27)21-8-6-7-13-29-21/h6-10,13,19,23H,5,11-12,14-16H2,1-4H3/t23-/m1/s1
PDB

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US Patent
n/an/a<25n/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 US10618910 (2020)

More data for this
Ligand-Target Pair
Bromodomain containing 4 (aa 49-170)


(Homo sapiens (Human))
BDBM438739
PNG
(N-{1-[(4S)-7-(3,5-dimethylisoxazol-4-yl)- 4-pyridi...)
Show SMILES CN(C1CCN(CC1)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23)C(=O)C(C)(C)C
Show InChI InChI=1S/C30H36N6O3/c1-18-25(19(2)39-33-18)21-10-11-23-26-27(21)38-17-24(22-9-7-8-14-31-22)36(26)29(32-23)35-15-12-20(13-16-35)34(6)28(37)30(3,4)5/h7-11,14,20,24H,12-13,15-17H2,1-6H3/t24-/m1/s1
PDB

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n/an/a<25n/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 US10618910 (2020)

More data for this
Ligand-Target Pair
Bromodomain containing 4 (aa 342-460)


(Homo sapiens (Human))
BDBM438740
PNG
(N-{1-[(4S)-7-(3,5-dimethylisoxazol-4-yl)- 4-pyridi...)
Show SMILES CN(C1CCN(CC1)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23)C(=O)C1CC1
Show InChI InChI=1S/C29H32N6O3/c1-17-25(18(2)38-32-17)21-9-10-23-26-27(21)37-16-24(22-6-4-5-13-30-22)35(26)29(31-23)34-14-11-20(12-15-34)33(3)28(36)19-7-8-19/h4-6,9-10,13,19-20,24H,7-8,11-12,14-16H2,1-3H3/t24-/m1/s1
PDB

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US Patent
n/an/a<25n/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 US10618910 (2020)

More data for this
Ligand-Target Pair
Bromodomain containing 4 (aa 342-460)


(Homo sapiens (Human))
BDBM438741
PNG
(N-{1-[(4S)-7-(3,5-dimethylisoxazol-4-yl)- 4-pyridi...)
Show SMILES CN(C1CCN(CC1)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23)C(=O)C1CCC1
Show InChI InChI=1S/C30H34N6O3/c1-18-26(19(2)39-33-18)22-10-11-24-27-28(22)38-17-25(23-9-4-5-14-31-23)36(27)30(32-24)35-15-12-21(13-16-35)34(3)29(37)20-7-6-8-20/h4-5,9-11,14,20-21,25H,6-8,12-13,15-17H2,1-3H3/t25-/m1/s1
PDB

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US Patent
n/an/a<25n/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 US10618910 (2020)

More data for this
Ligand-Target Pair
Bromodomain containing 4 (aa 342-460)


(Homo sapiens (Human))
BDBM438742
PNG
(N-{1-[(4S)-7-(3,5-dimethylisoxazol-4-yl)- 4-pyridi...)
Show SMILES CN(C)C(=O)N(C)C1CCN(CC1)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23
Show InChI InChI=1S/C28H33N7O3/c1-17-24(18(2)38-31-17)20-9-10-22-25-26(20)37-16-23(21-8-6-7-13-29-21)35(25)27(30-22)34-14-11-19(12-15-34)33(5)28(36)32(3)4/h6-10,13,19,23H,11-12,14-16H2,1-5H3/t23-/m1/s1
PDB

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US Patent
n/an/a<25n/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 US10618910 (2020)

More data for this
Ligand-Target Pair
Bromodomain containing 4 (aa 49-170)


(Homo sapiens (Human))
BDBM362671
PNG
((4S)-7-(3,5-dimethylisoxazol-4-yl)-2-[4- (2,2-dime...)
Show SMILES Cc1noc(C)c1-c1ccc2nc(N3CCN(CC3)C(=O)C(C)(C)C)n3[C@H](COc1c23)c1ccccn1
Show InChI InChI=1S/C28H32N6O3/c1-17-23(18(2)37-31-17)19-9-10-21-24-25(19)36-16-22(20-8-6-7-11-29-20)34(24)27(30-21)33-14-12-32(13-15-33)26(35)28(3,4)5/h6-11,22H,12-16H2,1-5H3/t22-/m1/s1
PDB

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n/an/a<25n/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 US10618910 (2020)

More data for this
Ligand-Target Pair
Bromodomain containing 4 (aa 342-460)


(Homo sapiens (Human))
BDBM362671
PNG
((4S)-7-(3,5-dimethylisoxazol-4-yl)-2-[4- (2,2-dime...)
Show SMILES Cc1noc(C)c1-c1ccc2nc(N3CCN(CC3)C(=O)C(C)(C)C)n3[C@H](COc1c23)c1ccccn1
Show InChI InChI=1S/C28H32N6O3/c1-17-23(18(2)37-31-17)19-9-10-21-24-25(19)36-16-22(20-8-6-7-11-29-20)34(24)27(30-21)33-14-12-32(13-15-33)26(35)28(3,4)5/h6-11,22H,12-16H2,1-5H3/t22-/m1/s1
PDB

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n/an/a<25n/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 US10618910 (2020)

More data for this
Ligand-Target Pair
Bromodomain containing 4 (aa 342-460)


(Homo sapiens (Human))
BDBM362428
PNG
((4S)-7-(3,5-Dimethylisoxazol-4-yl)-2-(4-isobutyryl...)
Show SMILES CC(C)C(=O)N1CCN(CC1)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23
Show InChI InChI=1S/C27H30N6O3/c1-16(2)26(34)31-11-13-32(14-12-31)27-29-21-9-8-19(23-17(3)30-36-18(23)4)25-24(21)33(27)22(15-35-25)20-7-5-6-10-28-20/h5-10,16,22H,11-15H2,1-4H3/t22-/m1/s1
PDB

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n/an/a<25n/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 US10618910 (2020)

More data for this
Ligand-Target Pair
Bromodomain containing 4 (aa 49-170)


(Homo sapiens (Human))
BDBM438729
PNG
((4S)-7-(3,5-dimethylisoxazol-4-yl)-2-[(3S)- 3-meth...)
Show SMILES CCC(=O)N1CCN(C[C@H]1C)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23
Show InChI InChI=1S/C27H30N6O3/c1-5-23(34)32-13-12-31(14-16(32)2)27-29-21-10-9-19(24-17(3)30-36-18(24)4)26-25(21)33(27)22(15-35-26)20-8-6-7-11-28-20/h6-11,16,22H,5,12-15H2,1-4H3/t16-,22-/m1/s1
PDB

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n/an/a<25n/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 US10618910 (2020)

More data for this
Ligand-Target Pair
Bromodomain containing 4 (aa 342-460)


(Homo sapiens (Human))
BDBM438730
PNG
((4S)-7-(3,5-dimethylisoxazol-4-yl)-2-[(3S)- 4-isob...)
Show SMILES CC(C)C(=O)N1CCN(C[C@H]1C)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23
Show InChI InChI=1S/C28H32N6O3/c1-16(2)27(35)33-13-12-32(14-17(33)3)28-30-22-10-9-20(24-18(4)31-37-19(24)5)26-25(22)34(28)23(15-36-26)21-8-6-7-11-29-21/h6-11,16-17,23H,12-15H2,1-5H3/t17-,23-/m1/s1
PDB

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n/an/a<25n/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 US10618910 (2020)

More data for this
Ligand-Target Pair
Bromodomain containing 4 (aa 49-170)


(Homo sapiens (Human))
BDBM318710
PNG
(N-{1-[(4S)-7-(3,5-dimethylisoxazol-4- yl)-4-pyridi...)
Show SMILES Cc1noc(C)c1-c1ccc2nc(N3CCC(CC3)NS(C)(=O)=O)n3[C@H](COc1c23)c1ccccn1
Show InChI InChI=1S/C25H28N6O4S/c1-15-22(16(2)35-28-15)18-7-8-20-23-24(18)34-14-21(19-6-4-5-11-26-19)31(23)25(27-20)30-12-9-17(10-13-30)29-36(3,32)33/h4-8,11,17,21,29H,9-10,12-14H2,1-3H3/t21-/m1/s1
PDB

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PC sid
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n/an/a<25n/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 US10618910 (2020)

More data for this
Ligand-Target Pair
Bromodomain containing 4 (aa 342-460)


(Homo sapiens (Human))
BDBM438736
PNG
(N-{1-[(4S)-7-(3,5-dimethylisoxazol-4-yl)- 4-pyridi...)
Show SMILES CCC(=O)N(C)C1CCN(CC1)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23
Show InChI InChI=1S/C28H32N6O3/c1-5-24(35)32(4)19-11-14-33(15-12-19)28-30-22-10-9-20(25-17(2)31-37-18(25)3)27-26(22)34(28)23(16-36-27)21-8-6-7-13-29-21/h6-10,13,19,23H,5,11-12,14-16H2,1-4H3/t23-/m1/s1
PDB

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n/an/a<25n/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 US10618910 (2020)

More data for this
Ligand-Target Pair
Bromodomain containing 4 (aa 342-460)


(Homo sapiens (Human))
BDBM438743
PNG
(N-{1-[(4S)-7-(3,5-dimethylisoxazol-4-yl)- 4-pyridi...)
Show SMILES CN(C1CCN(CC1)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23)C(=O)S(C)(=O)=O
Show InChI InChI=1S/C27H30N6O5S/c1-16-23(17(2)38-30-16)19-8-9-21-24-25(19)37-15-22(20-7-5-6-12-28-20)33(24)26(29-21)32-13-10-18(11-14-32)31(3)27(34)39(4,35)36/h5-9,12,18,22H,10-11,13-15H2,1-4H3/t22-/m1/s1
PDB

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n/an/a<25n/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 US10618910 (2020)

More data for this
Ligand-Target Pair
Bromodomain containing 4 (aa 49-170)


(Homo sapiens (Human))
BDBM362670
PNG
((4S)-2-(4-butyrylpiperazin-1-yl)-7-(3,5- dimethyli...)
Show SMILES CCCC(=O)N1CCN(CC1)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23
Show InChI InChI=1S/C27H30N6O3/c1-4-7-23(34)31-12-14-32(15-13-31)27-29-21-10-9-19(24-17(2)30-36-18(24)3)26-25(21)33(27)22(16-35-26)20-8-5-6-11-28-20/h5-6,8-11,22H,4,7,12-16H2,1-3H3/t22-/m1/s1
PDB

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n/an/a<25n/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 US10618910 (2020)

More data for this
Ligand-Target Pair
Bromodomain containing 4 (aa 49-170)


(Homo sapiens (Human))
BDBM362672
PNG
((4S)-2-[4-(cyclopropylcarbonyl)piperazin- 1-yl]-7-...)
Show SMILES Cc1noc(C)c1-c1ccc2nc(N3CCN(CC3)C(=O)C3CC3)n3[C@H](COc1c23)c1ccccn1
Show InChI InChI=1S/C27H28N6O3/c1-16-23(17(2)36-30-16)19-8-9-21-24-25(19)35-15-22(20-5-3-4-10-28-20)33(24)27(29-21)32-13-11-31(12-14-32)26(34)18-6-7-18/h3-5,8-10,18,22H,6-7,11-15H2,1-2H3/t22-/m1/s1
PDB

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US Patent
n/an/a<25n/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 US10618910 (2020)

More data for this
Ligand-Target Pair
Bromodomain containing 4 (aa 49-170)


(Homo sapiens (Human))
BDBM438731
PNG
(N-{1-[(4S)-7-(3,5-dimethylisoxazol-4-yl)- 4-pyridi...)
Show SMILES CCCC(=O)NC1CCN(CC1)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23
Show InChI InChI=1S/C28H32N6O3/c1-4-7-24(35)30-19-11-14-33(15-12-19)28-31-22-10-9-20(25-17(2)32-37-18(25)3)27-26(22)34(28)23(16-36-27)21-8-5-6-13-29-21/h5-6,8-10,13,19,23H,4,7,11-12,14-16H2,1-3H3,(H,30,35)/t23-/m1/s1
PDB

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n/an/a<25n/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 US10618910 (2020)

More data for this
Ligand-Target Pair
Bromodomain containing 4 (aa 49-170)


(Homo sapiens (Human))
BDBM438737
PNG
(N-{1-[(4S)-7-(3,5-dimethylisoxazol-4-yl)- 4-pyridi...)
Show SMILES CCCC(=O)N(C)C1CCN(CC1)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23
Show InChI InChI=1S/C29H34N6O3/c1-5-8-25(36)33(4)20-12-15-34(16-13-20)29-31-23-11-10-21(26-18(2)32-38-19(26)3)28-27(23)35(29)24(17-37-28)22-9-6-7-14-30-22/h6-7,9-11,14,20,24H,5,8,12-13,15-17H2,1-4H3/t24-/m1/s1
PDB

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US Patent
n/an/a<25n/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 US10618910 (2020)

More data for this
Ligand-Target Pair
Bromodomain containing 4 (aa 342-460)


(Homo sapiens (Human))
BDBM438744
PNG
(N-{1-[(4S)-7-(3,5-dimethylisoxazol-4-yl)- 4-pyridi...)
Show SMILES CCS(=O)(=O)C(=O)N(C)C1CCN(CC1)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23
Show InChI InChI=1S/C28H32N6O5S/c1-5-40(36,37)28(35)32(4)19-11-14-33(15-12-19)27-30-22-10-9-20(24-17(2)31-39-18(24)3)26-25(22)34(27)23(16-38-26)21-8-6-7-13-29-21/h6-10,13,19,23H,5,11-12,14-16H2,1-4H3/t23-/m1/s1
PDB

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US Patent
n/an/a<25n/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 US10618910 (2020)

More data for this
Ligand-Target Pair
Bromodomain containing 4 (aa 342-460)


(Homo sapiens (Human))
BDBM362670
PNG
((4S)-2-(4-butyrylpiperazin-1-yl)-7-(3,5- dimethyli...)
Show SMILES CCCC(=O)N1CCN(CC1)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23
Show InChI InChI=1S/C27H30N6O3/c1-4-7-23(34)31-12-14-32(15-13-31)27-29-21-10-9-19(24-17(2)30-36-18(24)3)26-25(21)33(27)22(16-35-26)20-8-5-6-11-28-20/h5-6,8-11,22H,4,7,12-16H2,1-3H3/t22-/m1/s1
PDB

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US Patent
n/an/a<25n/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 US10618910 (2020)

More data for this
Ligand-Target Pair
Bromodomain containing 4 (aa 342-460)


(Homo sapiens (Human))
BDBM362673
PNG
((4S)-2-[4-(cyclobutylcarbonyl)piperazin-1- yl]-7-(...)
Show SMILES Cc1noc(C)c1-c1ccc2nc(N3CCN(CC3)C(=O)C3CCC3)n3[C@H](COc1c23)c1ccccn1
Show InChI InChI=1S/C28H30N6O3/c1-17-24(18(2)37-31-17)20-9-10-22-25-26(20)36-16-23(21-8-3-4-11-29-21)34(25)28(30-22)33-14-12-32(13-15-33)27(35)19-6-5-7-19/h3-4,8-11,19,23H,5-7,12-16H2,1-2H3/t23-/m1/s1
PDB

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US Patent
n/an/a<25n/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 US10618910 (2020)

More data for this
Ligand-Target Pair
Bromodomain containing 4 (aa 49-170)


(Homo sapiens (Human))
BDBM438728
PNG
((4S)-2-[(3S)-4-acetyl-3-methylpiperazin-1- yl]-7-(...)
Show SMILES C[C@@H]1CN(CCN1C(C)=O)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23
Show InChI InChI=1S/C26H28N6O3/c1-15-13-30(11-12-31(15)18(4)33)26-28-21-9-8-19(23-16(2)29-35-17(23)3)25-24(21)32(26)22(14-34-25)20-7-5-6-10-27-20/h5-10,15,22H,11-14H2,1-4H3/t15-,22-/m1/s1
PDB

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US Patent
n/an/a<25n/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 US10618910 (2020)

More data for this
Ligand-Target Pair
Bromodomain containing 4 (aa 49-170)


(Homo sapiens (Human))
BDBM362673
PNG
((4S)-2-[4-(cyclobutylcarbonyl)piperazin-1- yl]-7-(...)
Show SMILES Cc1noc(C)c1-c1ccc2nc(N3CCN(CC3)C(=O)C3CCC3)n3[C@H](COc1c23)c1ccccn1
Show InChI InChI=1S/C28H30N6O3/c1-17-24(18(2)37-31-17)20-9-10-22-25-26(20)36-16-23(21-8-3-4-11-29-21)34(25)28(30-22)33-14-12-32(13-15-33)27(35)19-6-5-7-19/h3-4,8-11,19,23H,5-7,12-16H2,1-2H3/t23-/m1/s1
PDB

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US Patent
n/an/a<25n/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 US10618910 (2020)

More data for this
Ligand-Target Pair
Bromodomain containing 4 (aa 342-460)


(Homo sapiens (Human))
BDBM362565
PNG
((4S)-2-[(2S)-4-acetyl-2-methylpiperazin-1- yl]-7-(...)
Show SMILES C[C@H]1CN(CCN1c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23)C(C)=O
Show InChI InChI=1S/C26H28N6O3/c1-15-13-30(18(4)33)11-12-31(15)26-28-21-9-8-19(23-16(2)29-35-17(23)3)25-24(21)32(26)22(14-34-25)20-7-5-6-10-27-20/h5-10,15,22H,11-14H2,1-4H3/t15-,22+/m0/s1
PDB

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US Patent
n/an/a<25n/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 US10618910 (2020)

More data for this
Ligand-Target Pair
Bromodomain containing 4 (aa 49-170)


(Homo sapiens (Human))
BDBM438734
PNG
(N-{1-[(4S)-7-(3,5-dimethylisoxazol-4-yl)- 4-pyridi...)
Show SMILES Cc1noc(C)c1-c1ccc2nc(N3CCC(CC3)NC(=O)C3CCC3)n3[C@H](COc1c23)c1ccccn1
Show InChI InChI=1S/C29H32N6O3/c1-17-25(18(2)38-33-17)21-9-10-23-26-27(21)37-16-24(22-8-3-4-13-30-22)35(26)29(32-23)34-14-11-20(12-15-34)31-28(36)19-6-5-7-19/h3-4,8-10,13,19-20,24H,5-7,11-12,14-16H2,1-2H3,(H,31,36)/t24-/m1/s1
PDB

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US Patent
n/an/a<25n/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 US10618910 (2020)

More data for this
Ligand-Target Pair
Bromodomain containing 4 (aa 342-460)


(Homo sapiens (Human))
BDBM438739
PNG
(N-{1-[(4S)-7-(3,5-dimethylisoxazol-4-yl)- 4-pyridi...)
Show SMILES CN(C1CCN(CC1)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23)C(=O)C(C)(C)C
Show InChI InChI=1S/C30H36N6O3/c1-18-25(19(2)39-33-18)21-10-11-23-26-27(21)38-17-24(22-9-7-8-14-31-22)36(26)29(32-23)35-15-12-20(13-16-35)34(6)28(37)30(3,4)5/h7-11,14,20,24H,12-13,15-17H2,1-6H3/t24-/m1/s1
PDB

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US Patent
n/an/a<25n/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 US10618910 (2020)

More data for this
Ligand-Target Pair
Bromodomain containing 4 (aa 49-170)


(Homo sapiens (Human))
BDBM438740
PNG
(N-{1-[(4S)-7-(3,5-dimethylisoxazol-4-yl)- 4-pyridi...)
Show SMILES CN(C1CCN(CC1)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23)C(=O)C1CC1
Show InChI InChI=1S/C29H32N6O3/c1-17-25(18(2)38-32-17)21-9-10-23-26-27(21)37-16-24(22-6-4-5-13-30-22)35(26)29(31-23)34-14-11-20(12-15-34)33(3)28(36)19-7-8-19/h4-6,9-10,13,19-20,24H,7-8,11-12,14-16H2,1-3H3/t24-/m1/s1
PDB

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US Patent
n/an/a<25n/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 US10618910 (2020)

More data for this
Ligand-Target Pair
Bromodomain containing 4 (aa 49-170)


(Homo sapiens (Human))
BDBM438743
PNG
(N-{1-[(4S)-7-(3,5-dimethylisoxazol-4-yl)- 4-pyridi...)
Show SMILES CN(C1CCN(CC1)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23)C(=O)S(C)(=O)=O
Show InChI InChI=1S/C27H30N6O5S/c1-16-23(17(2)38-30-16)19-8-9-21-24-25(19)37-15-22(20-7-5-6-12-28-20)33(24)26(29-21)32-13-10-18(11-14-32)31(3)27(34)39(4,35)36/h5-9,12,18,22H,10-11,13-15H2,1-4H3/t22-/m1/s1
PDB

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n/an/a<25n/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 US10618910 (2020)

More data for this
Ligand-Target Pair
Bromodomain containing 4 (aa 49-170)


(Homo sapiens (Human))
BDBM438745
PNG
(N-{1-[(4S)-7-(3,5-dimethylisoxazol-4-yl)- 4-pyridi...)
Show SMILES CN(C1CCN(CC1)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23)C(=O)S(=O)(=O)C1CC1
Show InChI InChI=1S/C29H32N6O5S/c1-17-25(18(2)40-32-17)21-9-10-23-26-27(21)39-16-24(22-6-4-5-13-30-22)35(26)28(31-23)34-14-11-19(12-15-34)33(3)29(36)41(37,38)20-7-8-20/h4-6,9-10,13,19-20,24H,7-8,11-12,14-16H2,1-3H3/t24-/m1/s1
PDB

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n/an/a<25n/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 US10618910 (2020)

More data for this
Ligand-Target Pair
Bromodomain containing 4 (aa 342-460)


(Homo sapiens (Human))
BDBM438745
PNG
(N-{1-[(4S)-7-(3,5-dimethylisoxazol-4-yl)- 4-pyridi...)
Show SMILES CN(C1CCN(CC1)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23)C(=O)S(=O)(=O)C1CC1
Show InChI InChI=1S/C29H32N6O5S/c1-17-25(18(2)40-32-17)21-9-10-23-26-27(21)39-16-24(22-6-4-5-13-30-22)35(26)28(31-23)34-14-11-19(12-15-34)33(3)29(36)41(37,38)20-7-8-20/h4-6,9-10,13,19-20,24H,7-8,11-12,14-16H2,1-3H3/t24-/m1/s1
PDB

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n/an/a<25n/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 US10618910 (2020)

More data for this
Ligand-Target Pair
Bromodomain containing 4 (aa 342-460)


(Homo sapiens (Human))
BDBM362674
PNG
((4S)-7-(3,5-dimethylisoxazol-4-yl)-2-[4- (methoxya...)
Show SMILES COCC(=O)N1CCN(CC1)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23
Show InChI InChI=1S/C26H28N6O4/c1-16-23(17(2)36-29-16)18-7-8-20-24-25(18)35-14-21(19-6-4-5-9-27-19)32(24)26(28-20)31-12-10-30(11-13-31)22(33)15-34-3/h4-9,21H,10-15H2,1-3H3/t21-/m1/s1
PDB

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n/an/a<25n/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 US10618910 (2020)

More data for this
Ligand-Target Pair
Bromodomain containing 4 (aa 49-170)


(Homo sapiens (Human))
BDBM362504
PNG
((4S)-2-[(2R,6S)-4-Acetyl-2,6-dimethylpiperazin-1-y...)
Show SMILES C[C@H]1CN(C[C@@H](C)N1c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23)C(C)=O
Show InChI InChI=1S/C27H30N6O3/c1-15-12-31(19(5)34)13-16(2)32(15)27-29-22-10-9-20(24-17(3)30-36-18(24)4)26-25(22)33(27)23(14-35-26)21-8-6-7-11-28-21/h6-11,15-16,23H,12-14H2,1-5H3/t15-,16+,23-/m1/s1
PDB

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n/an/a<25n/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 US10618910 (2020)

More data for this
Ligand-Target Pair
Bromodomain containing 4 (aa 49-170)


(Homo sapiens (Human))
BDBM438730
PNG
((4S)-7-(3,5-dimethylisoxazol-4-yl)-2-[(3S)- 4-isob...)
Show SMILES CC(C)C(=O)N1CCN(C[C@H]1C)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23
Show InChI InChI=1S/C28H32N6O3/c1-16(2)27(35)33-13-12-32(14-17(33)3)28-30-22-10-9-20(24-18(4)31-37-19(24)5)26-25(22)34(28)23(15-36-26)21-8-6-7-11-29-21/h6-11,16-17,23H,12-15H2,1-5H3/t17-,23-/m1/s1
PDB

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n/an/a<25n/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 US10618910 (2020)

More data for this
Ligand-Target Pair
Bromodomain containing 4 (aa 342-460)


(Homo sapiens (Human))
BDBM438734
PNG
(N-{1-[(4S)-7-(3,5-dimethylisoxazol-4-yl)- 4-pyridi...)
Show SMILES Cc1noc(C)c1-c1ccc2nc(N3CCC(CC3)NC(=O)C3CCC3)n3[C@H](COc1c23)c1ccccn1
Show InChI InChI=1S/C29H32N6O3/c1-17-25(18(2)38-33-17)21-9-10-23-26-27(21)37-16-24(22-8-3-4-13-30-22)35(26)29(32-23)34-14-11-20(12-15-34)31-28(36)19-6-5-7-19/h3-4,8-10,13,19-20,24H,5-7,11-12,14-16H2,1-2H3,(H,31,36)/t24-/m1/s1
PDB

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n/an/a<25n/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 US10618910 (2020)

More data for this
Ligand-Target Pair
Bromodomain containing 4 (aa 342-460)


(Homo sapiens (Human))
BDBM362504
PNG
((4S)-2-[(2R,6S)-4-Acetyl-2,6-dimethylpiperazin-1-y...)
Show SMILES C[C@H]1CN(C[C@@H](C)N1c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23)C(C)=O
Show InChI InChI=1S/C27H30N6O3/c1-15-12-31(19(5)34)13-16(2)32(15)27-29-22-10-9-20(24-17(3)30-36-18(24)4)26-25(22)33(27)23(14-35-26)21-8-6-7-11-28-21/h6-11,15-16,23H,12-14H2,1-5H3/t15-,16+,23-/m1/s1
PDB

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n/an/a<25n/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 US10618910 (2020)

More data for this
Ligand-Target Pair
Bromodomain containing 4 (aa 49-170)


(Homo sapiens (Human))
BDBM438727
PNG
(N-{1-[(4S)-7-(3,5-dimethylisoxazol-4-yl)- 4-pyridi...)
Show SMILES CN(C1CCN(CC1)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23)C(C)=O
Show InChI InChI=1S/C27H30N6O3/c1-16-24(17(2)36-30-16)20-8-9-22-25-26(20)35-15-23(21-7-5-6-12-28-21)33(25)27(29-22)32-13-10-19(11-14-32)31(4)18(3)34/h5-9,12,19,23H,10-11,13-15H2,1-4H3/t23-/m1/s1
PDB

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UniChem
US Patent
n/an/a<25n/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 US10618910 (2020)

More data for this
Ligand-Target Pair
Bromodomain containing 4 (aa 342-460)


(Homo sapiens (Human))
BDBM438727
PNG
(N-{1-[(4S)-7-(3,5-dimethylisoxazol-4-yl)- 4-pyridi...)
Show SMILES CN(C1CCN(CC1)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23)C(C)=O
Show InChI InChI=1S/C27H30N6O3/c1-16-24(17(2)36-30-16)20-8-9-22-25-26(20)35-15-23(21-7-5-6-12-28-21)33(25)27(29-22)32-13-10-19(11-14-32)31(4)18(3)34/h5-9,12,19,23H,10-11,13-15H2,1-4H3/t23-/m1/s1
PDB

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UniChem
US Patent
n/an/a<25n/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 US10618910 (2020)

More data for this
Ligand-Target Pair
Bromodomain containing 4 (aa 342-460)


(Homo sapiens (Human))
BDBM438733
PNG
(N-{1-[(4S)-7-(3,5-dimethylisoxazol-4-yl)- 4-pyridi...)
Show SMILES Cc1noc(C)c1-c1ccc2nc(N3CCC(CC3)NC(=O)C3CC3)n3[C@H](COc1c23)c1ccccn1
Show InChI InChI=1S/C28H30N6O3/c1-16-24(17(2)37-32-16)20-8-9-22-25-26(20)36-15-23(21-5-3-4-12-29-21)34(25)28(31-22)33-13-10-19(11-14-33)30-27(35)18-6-7-18/h3-5,8-9,12,18-19,23H,6-7,10-11,13-15H2,1-2H3,(H,30,35)/t23-/m1/s1
PDB

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US Patent
n/an/a<25n/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 US10618910 (2020)

More data for this
Ligand-Target Pair
Bromodomain containing 4 (aa 342-460)


(Homo sapiens (Human))
BDBM438737
PNG
(N-{1-[(4S)-7-(3,5-dimethylisoxazol-4-yl)- 4-pyridi...)
Show SMILES CCCC(=O)N(C)C1CCN(CC1)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23
Show InChI InChI=1S/C29H34N6O3/c1-5-8-25(36)33(4)20-12-15-34(16-13-20)29-31-23-11-10-21(26-18(2)32-38-19(26)3)28-27(23)35(29)24(17-37-28)22-9-6-7-14-30-22/h6-7,9-11,14,20,24H,5,8,12-13,15-17H2,1-4H3/t24-/m1/s1
PDB

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US Patent
n/an/a<25n/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 US10618910 (2020)

More data for this
Ligand-Target Pair
Bromodomain containing 4 (aa 49-170)


(Homo sapiens (Human))
BDBM362428
PNG
((4S)-7-(3,5-Dimethylisoxazol-4-yl)-2-(4-isobutyryl...)
Show SMILES CC(C)C(=O)N1CCN(CC1)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23
Show InChI InChI=1S/C27H30N6O3/c1-16(2)26(34)31-11-13-32(14-12-31)27-29-21-9-8-19(23-17(3)30-36-18(23)4)25-24(21)33(27)22(15-35-25)20-7-5-6-10-28-20/h5-10,16,22H,11-15H2,1-4H3/t22-/m1/s1
PDB

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US Patent
n/an/a<25n/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 US10618910 (2020)

More data for this
Ligand-Target Pair
Bromodomain containing 4 (aa 342-460)


(Homo sapiens (Human))
BDBM362642
PNG
((4S)-2-(5-acetyl-2,5- diazabicyclo[2.2.1]hept-2-yl...)
Show SMILES CC(=O)N1CC2CC1CN2c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23
Show InChI InChI=1S/C26H26N6O3/c1-14-23(15(2)35-29-14)19-7-8-21-24-25(19)34-13-22(20-6-4-5-9-27-20)32(24)26(28-21)31-12-17-10-18(31)11-30(17)16(3)33/h4-9,17-18,22H,10-13H2,1-3H3/t17?,18?,22-/m1/s1
PDB

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US Patent
n/an/a<25n/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 US10618910 (2020)

More data for this
Ligand-Target Pair
Bromodomain containing 4 (aa 342-460)


(Homo sapiens (Human))
BDBM318710
PNG
(N-{1-[(4S)-7-(3,5-dimethylisoxazol-4- yl)-4-pyridi...)
Show SMILES Cc1noc(C)c1-c1ccc2nc(N3CCC(CC3)NS(C)(=O)=O)n3[C@H](COc1c23)c1ccccn1
Show InChI InChI=1S/C25H28N6O4S/c1-15-22(16(2)35-28-15)18-7-8-20-23-24(18)34-14-21(19-6-4-5-11-26-19)31(23)25(27-20)30-12-9-17(10-13-30)29-36(3,32)33/h4-8,11,17,21,29H,9-10,12-14H2,1-3H3/t21-/m1/s1
PDB

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PC sid
UniChem
US Patent
n/an/a<25n/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 US10618910 (2020)

More data for this
Ligand-Target Pair
Bromodomain containing 4 (aa 49-170)


(Homo sapiens (Human))
BDBM438738
PNG
(N-{1-[(4S)-7-(3,5-dimethylisoxazol-4-yl)- 4-pyridi...)
Show SMILES CC(C)C(=O)N(C)C1CCN(CC1)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23
Show InChI InChI=1S/C29H34N6O3/c1-17(2)28(36)33(5)20-11-14-34(15-12-20)29-31-23-10-9-21(25-18(3)32-38-19(25)4)27-26(23)35(29)24(16-37-27)22-8-6-7-13-30-22/h6-10,13,17,20,24H,11-12,14-16H2,1-5H3/t24-/m1/s1
PDB

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US Patent
n/an/a<25n/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 US10618910 (2020)

More data for this
Ligand-Target Pair
Bromodomain containing 4 (aa 49-170)


(Homo sapiens (Human))
BDBM438742
PNG
(N-{1-[(4S)-7-(3,5-dimethylisoxazol-4-yl)- 4-pyridi...)
Show SMILES CN(C)C(=O)N(C)C1CCN(CC1)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23
Show InChI InChI=1S/C28H33N7O3/c1-17-24(18(2)38-31-17)20-9-10-22-25-26(20)37-16-23(21-8-6-7-13-29-21)35(25)27(30-22)34-14-11-19(12-15-34)33(5)28(36)32(3)4/h6-10,13,19,23H,11-12,14-16H2,1-5H3/t23-/m1/s1
PDB

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UniChem
US Patent
n/an/a<25n/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 US10618910 (2020)

More data for this
Ligand-Target Pair
Bromodomain containing 4 (aa 49-170)


(Homo sapiens (Human))
BDBM438744
PNG
(N-{1-[(4S)-7-(3,5-dimethylisoxazol-4-yl)- 4-pyridi...)
Show SMILES CCS(=O)(=O)C(=O)N(C)C1CCN(CC1)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23
Show InChI InChI=1S/C28H32N6O5S/c1-5-40(36,37)28(35)32(4)19-11-14-33(15-12-19)27-30-22-10-9-20(24-17(2)31-39-18(24)3)26-25(22)34(27)23(16-38-26)21-8-6-7-13-29-21/h6-10,13,19,23H,5,11-12,14-16H2,1-4H3/t23-/m1/s1
PDB

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US Patent
n/an/a<25n/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 US10618910 (2020)

More data for this
Ligand-Target Pair
Bromodomain containing 4 (aa 49-170)


(Homo sapiens (Human))
BDBM362642
PNG
((4S)-2-(5-acetyl-2,5- diazabicyclo[2.2.1]hept-2-yl...)
Show SMILES CC(=O)N1CC2CC1CN2c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23
Show InChI InChI=1S/C26H26N6O3/c1-14-23(15(2)35-29-14)19-7-8-21-24-25(19)34-13-22(20-6-4-5-9-27-20)32(24)26(28-21)31-12-17-10-18(31)11-30(17)16(3)33/h4-9,17-18,22H,10-13H2,1-3H3/t17?,18?,22-/m1/s1
PDB

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US Patent
n/an/a<25n/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 US10618910 (2020)

More data for this
Ligand-Target Pair
Bromodomain containing 4 (aa 342-460)


(Homo sapiens (Human))
BDBM438731
PNG
(N-{1-[(4S)-7-(3,5-dimethylisoxazol-4-yl)- 4-pyridi...)
Show SMILES CCCC(=O)NC1CCN(CC1)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23
Show InChI InChI=1S/C28H32N6O3/c1-4-7-24(35)30-19-11-14-33(15-12-19)28-31-22-10-9-20(25-17(2)32-37-18(25)3)27-26(22)34(28)23(16-36-27)21-8-5-6-13-29-21/h5-6,8-10,13,19,23H,4,7,11-12,14-16H2,1-3H3,(H,30,35)/t23-/m1/s1
PDB

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n/an/a<25n/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 US10618910 (2020)

More data for this
Ligand-Target Pair
Bromodomain containing 4 (aa 49-170)


(Homo sapiens (Human))
BDBM438732
PNG
(N-{1-[(4S)-7-(3,5-dimethylisoxazol-4-yl)- 4-pyridi...)
Show SMILES Cc1noc(C)c1-c1ccc2nc(N3CCC(CC3)NC(=O)C(C)(C)C)n3[C@H](COc1c23)c1ccccn1
Show InChI InChI=1S/C29H34N6O3/c1-17-24(18(2)38-33-17)20-9-10-22-25-26(20)37-16-23(21-8-6-7-13-30-21)35(25)28(32-22)34-14-11-19(12-15-34)31-27(36)29(3,4)5/h6-10,13,19,23H,11-12,14-16H2,1-5H3,(H,31,36)/t23-/m1/s1
PDB

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US Patent
n/an/a<25n/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 US10618910 (2020)

More data for this
Ligand-Target Pair
Bromodomain containing 4 (aa 342-460)


(Homo sapiens (Human))
BDBM438738
PNG
(N-{1-[(4S)-7-(3,5-dimethylisoxazol-4-yl)- 4-pyridi...)
Show SMILES CC(C)C(=O)N(C)C1CCN(CC1)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23
Show InChI InChI=1S/C29H34N6O3/c1-17(2)28(36)33(5)20-11-14-34(15-12-20)29-31-23-10-9-21(25-18(3)32-38-19(25)4)27-26(23)35(29)24(16-37-27)22-8-6-7-13-30-22/h6-10,13,17,20,24H,11-12,14-16H2,1-5H3/t24-/m1/s1
PDB

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US Patent
n/an/a<25n/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 US10618910 (2020)

More data for this
Ligand-Target Pair
Bromodomain containing 4 (aa 49-170)


(Homo sapiens (Human))
BDBM438741
PNG
(N-{1-[(4S)-7-(3,5-dimethylisoxazol-4-yl)- 4-pyridi...)
Show SMILES CN(C1CCN(CC1)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23)C(=O)C1CCC1
Show InChI InChI=1S/C30H34N6O3/c1-18-26(19(2)39-33-18)22-10-11-24-27-28(22)38-17-25(23-9-4-5-14-31-23)36(27)30(32-24)35-15-12-21(13-16-35)34(3)29(37)20-7-6-8-20/h4-5,9-11,14,20-21,25H,6-8,12-13,15-17H2,1-3H3/t25-/m1/s1
PDB

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n/an/a<25n/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 US10618910 (2020)

More data for this
Ligand-Target Pair
Bromodomain containing 4 (aa 342-460)


(Homo sapiens (Human))
BDBM362672
PNG
((4S)-2-[4-(cyclopropylcarbonyl)piperazin- 1-yl]-7-...)
Show SMILES Cc1noc(C)c1-c1ccc2nc(N3CCN(CC3)C(=O)C3CC3)n3[C@H](COc1c23)c1ccccn1
Show InChI InChI=1S/C27H28N6O3/c1-16-23(17(2)36-30-16)19-8-9-21-24-25(19)35-15-22(20-5-3-4-10-28-20)33(24)27(29-21)32-13-11-31(12-14-32)26(34)18-6-7-18/h3-5,8-10,18,22H,6-7,11-15H2,1-2H3/t22-/m1/s1
PDB

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n/an/a<25n/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 US10618910 (2020)

More data for this
Ligand-Target Pair
Bromodomain containing 4 (aa 49-170)


(Homo sapiens (Human))
BDBM438726
PNG
(N-{1-[(4S)-7-(3,5-dimethylisoxazol-4-yl)- 4-pyridi...)
Show SMILES CC(=O)NC1(C)CCN(CC1)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23
Show InChI InChI=1S/C27H30N6O3/c1-16-23(17(2)36-31-16)19-8-9-21-24-25(19)35-15-22(20-7-5-6-12-28-20)33(24)26(29-21)32-13-10-27(4,11-14-32)30-18(3)34/h5-9,12,22H,10-11,13-15H2,1-4H3,(H,30,34)/t22-/m1/s1
PDB

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n/an/a 62.5n/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 US10618910 (2020)

More data for this
Ligand-Target Pair
Bromodomain containing 4 (aa 49-170)


(Homo sapiens (Human))
BDBM362565
PNG
((4S)-2-[(2S)-4-acetyl-2-methylpiperazin-1- yl]-7-(...)
Show SMILES C[C@H]1CN(CCN1c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23)C(C)=O
Show InChI InChI=1S/C26H28N6O3/c1-15-13-30(18(4)33)11-12-31(15)26-28-21-9-8-19(23-16(2)29-35-17(23)3)25-24(21)32(26)22(14-34-25)20-7-5-6-10-27-20/h5-10,15,22H,11-14H2,1-4H3/t15-,22+/m0/s1
PDB

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n/an/a 62.5n/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 US10618910 (2020)

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