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Compile Data Set for Download or QSAR

Found 558 hits of ic50 data for complexid = 180   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
BRD4 - BD1


(Homo sapiens (Human))
BDBM318706
PNG
(N-{1-[(4S)-7-(3,5-dimethylisoxazol-4- yl)-4-pyridi...)
Show SMILES Cc1noc(C)c1-c1ccc2nc(N3CC(C3)NC(=O)C3CCC3)n3[C@H](COc1c23)c1ccccn1
Show InChI InChI=1S/C27H28N6O3/c1-15-23(16(2)36-31-15)19-9-10-21-24-25(19)35-14-22(20-8-3-4-11-28-20)33(24)27(30-21)32-12-18(13-32)29-26(34)17-6-5-7-17/h3-4,8-11,17-18,22H,5-7,12-14H2,1-2H3,(H,29,34)/t22-/m1/s1
PDB

UniProtKB/SwissProt
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B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



Incyte Holdings Corporation; 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 US10464947 (2019)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM318707
PNG
(N-{1-[(4S)-7-(3,5-dimethylisoxazol-4- yl)-4-pyridi...)
Show SMILES Cc1noc(C)c1-c1ccc2nc(N3CC(C3)NS(C)(=O)=O)n3[C@H](COc1c23)c1ccccn1
Show InChI InChI=1S/C23H24N6O4S/c1-13-20(14(2)33-26-13)16-7-8-18-21-22(16)32-12-19(17-6-4-5-9-24-17)29(21)23(25-18)28-10-15(11-28)27-34(3,30)31/h4-9,15,19,27H,10-12H2,1-3H3/t19-/m1/s1
PDB

UniProtKB/SwissProt
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B.MOAD
DrugBank
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PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



Incyte Holdings Corporation; 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 US10464947 (2019)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM318708
PNG
(N-{1-[(4S)-7-(3,5-dimethylisoxazol-4- yl)-4-pyridi...)
Show SMILES CCS(=O)(=O)NC1CN(C1)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23
Show InChI InChI=1S/C24H26N6O4S/c1-4-35(31,32)28-16-11-29(12-16)24-26-19-9-8-17(21-14(2)27-34-15(21)3)23-22(19)30(24)20(13-33-23)18-7-5-6-10-25-18/h5-10,16,20,28H,4,11-13H2,1-3H3/t20-/m1/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



Incyte Holdings Corporation; 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 US10464947 (2019)

More data for this
Ligand-Target Pair
BRD4 - BD1


(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

UniProtKB/SwissProt
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B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



Incyte Holdings Corporation; 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 US10464947 (2019)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM318709
PNG
(N-{1-[(4S)-7-(3,5-dimethylisoxazol-4- yl)-4-pyridi...)
Show SMILES CC(C)S(=O)(=O)NC1CN(C1)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23
Show InChI InChI=1S/C25H28N6O4S/c1-14(2)36(32,33)29-17-11-30(12-17)25-27-20-9-8-18(22-15(3)28-35-16(22)4)24-23(20)31(25)21(13-34-24)19-7-5-6-10-26-19/h5-10,14,17,21,29H,11-13H2,1-4H3/t21-/m1/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



Incyte Holdings Corporation; 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 US10464947 (2019)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM318711
PNG
(N-{1-[(4S)-7-(3,5-dimethylisoxazol-4- yl)-4-pyridi...)
Show SMILES COCC(=O)NC1CCN(CC1)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23
Show InChI InChI=1S/C27H30N6O4/c1-16-24(17(2)37-31-16)19-7-8-21-25-26(19)36-14-22(20-6-4-5-11-28-20)33(25)27(30-21)32-12-9-18(10-13-32)29-23(34)15-35-3/h4-8,11,18,22H,9-10,12-15H2,1-3H3,(H,29,34)/t22-/m1/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



Incyte Holdings Corporation; 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 US10464947 (2019)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM318712
PNG
(N-{1-[(4S)-7-(3,5-dimethylisoxazol-4- yl)-4-pyridi...)
Show SMILES Cc1noc(C)c1-c1ccc2nc(N3CCC(CC3)NC(=O)C(F)(F)F)n3[C@H](COc1c23)c1ccccn1
Show InChI InChI=1S/C26H25F3N6O3/c1-14-21(15(2)38-33-14)17-6-7-19-22-23(17)37-13-20(18-5-3-4-10-30-18)35(22)25(32-19)34-11-8-16(9-12-34)31-24(36)26(27,28)29/h3-7,10,16,20H,8-9,11-13H2,1-2H3,(H,31,36)/t20-/m1/s1
PDB

UniProtKB/SwissProt
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B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



Incyte Holdings Corporation; 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 US10464947 (2019)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM318713
PNG
(N-{1-[(4S)-7-(3,5-dimethylisoxazol-4- yl)-4-pyridi...)
Show SMILES CCC(=O)NC1CCN(CC1)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23
Show InChI InChI=1S/C27H30N6O3/c1-4-23(34)29-18-10-13-32(14-11-18)27-30-21-9-8-19(24-16(2)31-36-17(24)3)26-25(21)33(27)22(15-35-26)20-7-5-6-12-28-20/h5-9,12,18,22H,4,10-11,13-15H2,1-3H3,(H,29,34)/t22-/m1/s1
PDB

UniProtKB/SwissProt
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B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



Incyte Holdings Corporation; 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 US10464947 (2019)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM318713
PNG
(N-{1-[(4S)-7-(3,5-dimethylisoxazol-4- yl)-4-pyridi...)
Show SMILES CCC(=O)NC1CCN(CC1)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23
Show InChI InChI=1S/C27H30N6O3/c1-4-23(34)29-18-10-13-32(14-11-18)27-30-21-9-8-19(24-16(2)31-36-17(24)3)26-25(21)33(27)22(15-35-26)20-7-5-6-12-28-20/h5-9,12,18,22H,4,10-11,13-15H2,1-3H3,(H,29,34)/t22-/m1/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



Incyte Holdings Corporation; 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 US10464947 (2019)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM318715
PNG
((4S)-7-(3,5-dimethylisoxazol-4-yl)-2-(4- propionyl...)
Show SMILES CCC(=O)N1CCCN(CC1)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23
Show InChI InChI=1S/C27H30N6O3/c1-4-23(34)31-12-7-13-32(15-14-31)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

UniProtKB/SwissProt
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B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



Incyte Holdings Corporation; 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 US10464947 (2019)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM318716
PNG
((4S)-7-(3,5-dimethylisoxazol-4-yl)-2-[4- (ethylsul...)
Show SMILES CCS(=O)(=O)N1CCCN(CC1)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23
Show InChI InChI=1S/C26H30N6O4S/c1-4-37(33,34)31-13-7-12-30(14-15-31)26-28-21-10-9-19(23-17(2)29-36-18(23)3)25-24(21)32(26)22(16-35-25)20-8-5-6-11-27-20/h5-6,8-11,22H,4,7,12-16H2,1-3H3/t22-/m1/s1
PDB

UniProtKB/SwissProt
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B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



Incyte Holdings Corporation; 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 US10464947 (2019)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM318717
PNG
((3R)-1-[(4S)-7-(3,5-dimethylisoxazol-4- yl)-4-pyri...)
Show SMILES CNC(=O)[C@@H]1CCN(C1)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23
Show InChI InChI=1S/C25H26N6O3/c1-14-21(15(2)34-29-14)17-7-8-19-22-23(17)33-13-20(18-6-4-5-10-27-18)31(22)25(28-19)30-11-9-16(12-30)24(32)26-3/h4-8,10,16,20H,9,11-13H2,1-3H3,(H,26,32)/t16-,20-/m1/s1
PDB

UniProtKB/SwissProt
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B.MOAD
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PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



Incyte Holdings Corporation; 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 US10464947 (2019)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM318718
PNG
((3R)-1-[(4S)-7-(3,5-dimethylisoxazol-4- yl)-4-pyri...)
Show SMILES CCNC(=O)[C@@H]1CCN(C1)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23
Show InChI InChI=1S/C26H28N6O3/c1-4-27-25(33)17-10-12-31(13-17)26-29-20-9-8-18(22-15(2)30-35-16(22)3)24-23(20)32(26)21(14-34-24)19-7-5-6-11-28-19/h5-9,11,17,21H,4,10,12-14H2,1-3H3,(H,27,33)/t17-,21-/m1/s1
PDB

UniProtKB/SwissProt
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B.MOAD
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PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



Incyte Holdings Corporation; 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 US10464947 (2019)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM318719
PNG
((3R)-N-cyclopropyl-1-[(4S)-7-(3,5- dimethylisoxazo...)
Show SMILES Cc1noc(C)c1-c1ccc2nc(N3CC[C@H](C3)C(=O)NC3CC3)n3[C@H](COc1c23)c1ccccn1
Show InChI InChI=1S/C27H28N6O3/c1-15-23(16(2)36-31-15)19-8-9-21-24-25(19)35-14-22(20-5-3-4-11-28-20)33(24)27(30-21)32-12-10-17(13-32)26(34)29-18-6-7-18/h3-5,8-9,11,17-18,22H,6-7,10,12-14H2,1-2H3,(H,29,34)/t17-,22-/m1/s1
PDB

UniProtKB/SwissProt
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B.MOAD
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PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



Incyte Holdings Corporation; 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 US10464947 (2019)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM318722
PNG
(7-(3,5-Dimethylisoxazol-4-yl)-9-(hydroxymethyl)-4-...)
Show SMILES Cc1noc(C)c1-c1cc(CO)c2[nH]c(=O)n3C(COc1c23)c1ccccn1
Show InChI InChI=1/C20H18N4O4/c1-10-16(11(2)28-23-10)13-7-12(8-25)17-18-19(13)27-9-15(24(18)20(26)22-17)14-5-3-4-6-21-14/h3-7,15,25H,8-9H2,1-2H3,(H,22,26)
PDB

UniProtKB/SwissProt
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PC cid
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UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



Incyte Holdings Corporation; 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 US10464947 (2019)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM318723
PNG
(7-(3,5-Dimethylisoxazol-4-yl)-4-pyridin-2-yl-4,5-d...)
Show SMILES Cc1noc(C)c1-c1ccc2[nH]c(=S)n3C(COc1c23)c1ccccn1
Show InChI InChI=1/C19H16N4O2S/c1-10-16(11(2)25-22-10)12-6-7-14-17-18(12)24-9-15(23(17)19(26)21-14)13-5-3-4-8-20-13/h3-8,15H,9H2,1-2H3,(H,21,26)
PDB

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



Incyte Holdings Corporation; 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 US10464947 (2019)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM318724
PNG
(7-(3,5-dimethylisoxazol-4-yl)-9-(1H- pyrazol-4-yl)...)
Show SMILES Cc1noc(C)c1-c1cc(-c2cn[nH]c2)c2[nH]c(=O)n3C(COc1c23)c1ccccn1
Show InChI InChI=1/C22H18N6O3/c1-11-18(12(2)31-27-11)15-7-14(13-8-24-25-9-13)19-20-21(15)30-10-17(28(20)22(29)26-19)16-5-3-4-6-23-16/h3-9,17H,10H2,1-2H3,(H,24,25)(H,26,29)
PDB

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PC cid
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UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



Incyte Holdings Corporation; 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 US10464947 (2019)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM420172
PNG
(7-(3,5-dimethylisoxazol-4-yl)-9-fluoro-4-pyridin-2...)
Show SMILES Cc1noc(C)c1-c1cc(F)c2[nH]c(=O)n3[C@@H](COc1c23)c1ccccn1
Show InChI InChI=1/C19H15FN4O3/c1-9-15(10(2)27-23-9)11-7-12(20)16-17-18(11)26-8-14(24(17)19(25)22-16)13-5-3-4-6-21-13/h3-7,14H,8H2,1-2H3,(H,22,25)/t14-/s2
PDB

UniProtKB/SwissProt
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B.MOAD
DrugBank
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UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



Incyte Holdings Corporation; 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 US10464947 (2019)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM318737
PNG
(9-bromo-7-(3,5-dimethylisoxazol-4-yl)-4- pyridin-2...)
Show SMILES Cc1noc(C)c1-c1cc(Br)c2[nH]c(=O)n3C(COc1c23)c1ccccn1
Show InChI InChI=1/C19H15BrN4O3/c1-9-15(10(2)27-23-9)11-7-12(20)16-17-18(11)26-8-14(24(17)19(25)22-16)13-5-3-4-6-21-13/h3-7,14H,8H2,1-2H3,(H,22,25)
PDB

UniProtKB/SwissProt
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n/an/a<100n/an/an/an/an/an/a



Incyte Holdings Corporation; 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 US10464947 (2019)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM318740
PNG
(7-(3,5-dimethylisoxazol-4-yl)-2-oxo-4- pyridin-2-y...)
Show SMILES Cc1noc(C)c1-c1cc(C#N)c2[nH]c(=O)n3C(COc1c23)c1ccccn1
Show InChI InChI=1/C20H15N5O3/c1-10-16(11(2)28-24-10)13-7-12(8-21)17-18-19(13)27-9-15(25(18)20(26)23-17)14-5-3-4-6-22-14/h3-7,15H,9H2,1-2H3,(H,23,26)
PDB

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n/an/a<100n/an/an/an/an/an/a



Incyte Holdings Corporation; 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 US10464947 (2019)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM318638
PNG
((3S)-1-[(4S)-7-(3,5-dimethylisoxazol-4- yl)-4-pyri...)
Show SMILES Cc1noc(C)c1-c1ccc2nc(N3CCC[C@H](O)C3)n3[C@H](COc1c23)c1ccccn1
Show InChI InChI=1S/C24H25N5O3/c1-14-21(15(2)32-27-14)17-8-9-19-22-23(17)31-13-20(18-7-3-4-10-25-18)29(22)24(26-19)28-11-5-6-16(30)12-28/h3-4,7-10,16,20,30H,5-6,11-13H2,1-2H3/t16-,20+/m0/s1
PDB

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n/an/a<100n/an/an/an/an/an/a



Incyte Holdings Corporation; 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 US10464947 (2019)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM318639
PNG
(1-[(4S)-7-(3,5-dimethylisoxazol-4-yl)-4- pyridin-2...)
Show SMILES CN(C)C1CCN(CC1)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23
Show InChI InChI=1S/C26H30N6O2/c1-16-23(17(2)34-29-16)19-8-9-21-24-25(19)33-15-22(20-7-5-6-12-27-20)32(24)26(28-21)31-13-10-18(11-14-31)30(3)4/h5-9,12,18,22H,10-11,13-15H2,1-4H3/t22-/m1/s1
PDB

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n/an/a<100n/an/an/an/an/an/a



Incyte Holdings Corporation; 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 US10464947 (2019)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM318640
PNG
(4-[(4S)-7-(3,5-dimethylisoxazol-4-yl)-4- pyridin-2...)
Show SMILES Cc1noc(C)c1-c1ccc2nc(N3CCNC(=O)C3)n3[C@H](COc1c23)c1ccccn1
Show InChI InChI=1S/C23H22N6O3/c1-13-20(14(2)32-27-13)15-6-7-17-21-22(15)31-12-18(16-5-3-4-8-24-16)29(21)23(26-17)28-10-9-25-19(30)11-28/h3-8,18H,9-12H2,1-2H3,(H,25,30)/t18-/m1/s1
PDB

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n/an/a<100n/an/an/an/an/an/a



Incyte Holdings Corporation; 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 US10464947 (2019)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM318641
PNG
((4S)-7-(3,5-dimethylisoxazol-4-yl)-2-[4- (methylsu...)
Show SMILES Cc1noc(C)c1-c1ccc2nc(N3CCN(CC3)S(C)(=O)=O)n3[C@H](COc1c23)c1ccccn1
Show InChI InChI=1S/C24H26N6O4S/c1-15-21(16(2)34-27-15)17-7-8-19-22-23(17)33-14-20(18-6-4-5-9-25-18)30(22)24(26-19)28-10-12-29(13-11-28)35(3,31)32/h4-9,20H,10-14H2,1-3H3/t20-/m1/s1
PDB

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n/an/a<100n/an/an/an/an/an/a



Incyte Holdings Corporation; 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 US10464947 (2019)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM318642
PNG
((4S)-7-(3,5-dimethylisoxazol-4-yl)-2-(4- isopropyl...)
Show SMILES CC(C)N1CCN(CC1)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23
Show InChI InChI=1S/C26H30N6O2/c1-16(2)30-11-13-31(14-12-30)26-28-21-9-8-19(23-17(3)29-34-18(23)4)25-24(21)32(26)22(15-33-25)20-7-5-6-10-27-20/h5-10,16,22H,11-15H2,1-4H3/t22-/m1/s1
PDB

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n/an/a<100n/an/an/an/an/an/a



Incyte Holdings Corporation; 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 US10464947 (2019)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM318643
PNG
(1-[(4S)-7-(3,5-dimethylisoxazol-4-yl)-4- pyridin-2...)
Show SMILES Cc1noc(C)c1-c1ccc2nc(N3CCC(CC3)C#N)n3[C@H](COc1c23)c1ccccn1
Show InChI InChI=1S/C25H24N6O2/c1-15-22(16(2)33-29-15)18-6-7-20-23-24(18)32-14-21(19-5-3-4-10-27-19)31(23)25(28-20)30-11-8-17(13-26)9-12-30/h3-7,10,17,21H,8-9,11-12,14H2,1-2H3/t21-/m1/s1
PDB

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n/an/a<100n/an/an/an/an/an/a



Incyte Holdings Corporation; 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 US10464947 (2019)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM420064
PNG
(US10464947, Example 176 | {1-[(4S)-7-(3,5-dimethyl...)
Show SMILES Cc1noc(C)c1-c1ccc2nc(N3CCC(CO)CC3)n3[C@H](COc1c23)c1ccccn1
Show InChI InChI=1S/C25H27N5O3/c1-15-22(16(2)33-28-15)18-6-7-20-23-24(18)32-14-21(19-5-3-4-10-26-19)30(23)25(27-20)29-11-8-17(13-31)9-12-29/h3-7,10,17,21,31H,8-9,11-14H2,1-2H3/t21-/m1/s1
PDB

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n/an/a<100n/an/an/an/an/an/a



Incyte Holdings Corporation; 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 US10464947 (2019)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM318645
PNG
(2-{4-[(4S)-7-(3,5-dimethylisoxazol-4- yl)-4-pyridi...)
Show SMILES Cc1noc(C)c1-c1ccc2nc(N3CCN(CCO)CC3)n3[C@H](COc1c23)c1ccccn1
Show InChI InChI=1S/C25H28N6O3/c1-16-22(17(2)34-28-16)18-6-7-20-23-24(18)33-15-21(19-5-3-4-8-26-19)31(23)25(27-20)30-11-9-29(10-12-30)13-14-32/h3-8,21,32H,9-15H2,1-2H3/t21-/m1/s1
PDB

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n/an/a<100n/an/an/an/an/an/a



Incyte Holdings Corporation; 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 US10464947 (2019)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM318646
PNG
((4S)-7-(3,5-dimethylisoxazol-4-yl)-2-(4- phenylpip...)
Show SMILES Cc1noc(C)c1-c1ccc2nc(N3CCN(CC3)c3ccccc3)n3[C@H](COc1c23)c1ccccn1
Show InChI InChI=1S/C29H28N6O2/c1-19-26(20(2)37-32-19)22-11-12-24-27-28(22)36-18-25(23-10-6-7-13-30-23)35(27)29(31-24)34-16-14-33(15-17-34)21-8-4-3-5-9-21/h3-13,25H,14-18H2,1-2H3/t25-/m1/s1
PDB

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n/an/a<100n/an/an/an/an/an/a



Incyte Holdings Corporation; 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 US10464947 (2019)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM318647
PNG
((4S)-2-(4-benzylpiperazin-1-yl)-7-(3,5- dimethylis...)
Show SMILES Cc1noc(C)c1-c1ccc2nc(N3CCN(Cc4ccccc4)CC3)n3[C@H](COc1c23)c1ccccn1
Show InChI InChI=1S/C30H30N6O2/c1-20-27(21(2)38-33-20)23-11-12-25-28-29(23)37-19-26(24-10-6-7-13-31-24)36(28)30(32-25)35-16-14-34(15-17-35)18-22-8-4-3-5-9-22/h3-13,26H,14-19H2,1-2H3/t26-/m1/s1
PDB

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n/an/a<100n/an/an/an/an/an/a



Incyte Holdings Corporation; 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 US10464947 (2019)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM318648
PNG
((3R)-1-[(4S)-7-(3,5-dimethylisoxazol-4- yl)-4-pyri...)
Show SMILES CN(C)[C@@H]1CCN(C1)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23
Show InChI InChI=1S/C25H28N6O2/c1-15-22(16(2)33-28-15)18-8-9-20-23-24(18)32-14-21(19-7-5-6-11-26-19)31(23)25(27-20)30-12-10-17(13-30)29(3)4/h5-9,11,17,21H,10,12-14H2,1-4H3/t17-,21-/m1/s1
PDB

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n/an/a<100n/an/an/an/an/an/a



Incyte Holdings Corporation; 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 US10464947 (2019)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM318649
PNG
((3S)-1-[(4S)-7-(3,5-dimethylisoxazol-4- yl)-4-pyri...)
Show SMILES CN(C)[C@H]1CCN(C1)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23
Show InChI InChI=1S/C25H28N6O2/c1-15-22(16(2)33-28-15)18-8-9-20-23-24(18)32-14-21(19-7-5-6-11-26-19)31(23)25(27-20)30-12-10-17(13-30)29(3)4/h5-9,11,17,21H,10,12-14H2,1-4H3/t17-,21+/m0/s1
PDB

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n/an/a<100n/an/an/an/an/an/a



Incyte Holdings Corporation; 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 US10464947 (2019)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM318650
PNG
((3R)-1-[(4S)-7-(3,5-dimethylisoxazol-4- yl)-4-pyri...)
Show SMILES CN[C@@H]1CCN(C1)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23
Show InChI InChI=1S/C24H26N6O2/c1-14-21(15(2)32-28-14)17-7-8-19-22-23(17)31-13-20(18-6-4-5-10-26-18)30(22)24(27-19)29-11-9-16(12-29)25-3/h4-8,10,16,20,25H,9,11-13H2,1-3H3/t16-,20-/m1/s1
PDB

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n/an/a<100n/an/an/an/an/an/a



Incyte Holdings Corporation; 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 US10464947 (2019)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM318651
PNG
((3S)-1-[(4S)-7-(3,5-dimethylisoxazol-4- yl)-4-pyri...)
Show SMILES CN[C@H]1CCN(C1)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23
Show InChI InChI=1S/C24H26N6O2/c1-14-21(15(2)32-28-14)17-7-8-19-22-23(17)31-13-20(18-6-4-5-10-26-18)30(22)24(27-19)29-11-9-16(12-29)25-3/h4-8,10,16,20,25H,9,11-13H2,1-3H3/t16-,20+/m0/s1
PDB

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n/an/a<100n/an/an/an/an/an/a



Incyte Holdings Corporation; 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 US10464947 (2019)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM318652
PNG
(US10464947, Example 182A | US9624241, Example 182A...)
Show SMILES Cc1noc(C)c1-c1ccc2nc(N3CC[C@H](C3)NC(=O)OC(C)(C)C)n3[C@H](COc1c23)c1ccccn1
Show InChI InChI=1S/C28H32N6O4/c1-16-23(17(2)38-32-16)19-9-10-21-24-25(19)36-15-22(20-8-6-7-12-29-20)34(24)26(31-21)33-13-11-18(14-33)30-27(35)37-28(3,4)5/h6-10,12,18,22H,11,13-15H2,1-5H3,(H,30,35)/t18-,22-/m1/s1
PDB

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n/an/a<100n/an/an/an/an/an/a



Incyte Holdings Corporation; 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 US10464947 (2019)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM318653
PNG
(US10464947, Example 182B | US9624241, Example 182B...)
Show SMILES Cc1noc(C)c1-c1ccc2nc(N3CC[C@@H](C3)NC(=O)OC(C)(C)C)n3[C@H](COc1c23)c1ccccn1
Show InChI InChI=1S/C28H32N6O4/c1-16-23(17(2)38-32-16)19-9-10-21-24-25(19)36-15-22(20-8-6-7-12-29-20)34(24)26(31-21)33-13-11-18(14-33)30-27(35)37-28(3,4)5/h6-10,12,18,22H,11,13-15H2,1-5H3,(H,30,35)/t18-,22+/m0/s1
PDB

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n/an/a<100n/an/an/an/an/an/a



Incyte Holdings Corporation; 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 US10464947 (2019)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM318654
PNG
((4S)-2-[4-(cyclopropylmethyl)piperazin- 1-yl]-7-(3...)
Show SMILES Cc1noc(C)c1-c1ccc2nc(N3CCN(CC4CC4)CC3)n3[C@H](COc1c23)c1ccccn1
Show InChI InChI=1S/C27H30N6O2/c1-17-24(18(2)35-30-17)20-8-9-22-25-26(20)34-16-23(21-5-3-4-10-28-21)33(25)27(29-22)32-13-11-31(12-14-32)15-19-6-7-19/h3-5,8-10,19,23H,6-7,11-16H2,1-2H3/t23-/m1/s1
PDB

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n/an/a<100n/an/an/an/an/an/a



Incyte Holdings Corporation; 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 US10464947 (2019)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM318655
PNG
((4S)-7-(3,5-dimethylisoxazol-4-yl)-2-[4- (2-methox...)
Show SMILES COCCN1CCN(CC1)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23
Show InChI InChI=1S/C26H30N6O3/c1-17-23(18(2)35-29-17)19-7-8-21-24-25(19)34-16-22(20-6-4-5-9-27-20)32(24)26(28-21)31-12-10-30(11-13-31)14-15-33-3/h4-9,22H,10-16H2,1-3H3/t22-/m1/s1
PDB

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n/an/a<100n/an/an/an/an/an/a



Incyte Holdings Corporation; 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 US10464947 (2019)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM318657
PNG
(7-(3,5-dimethylisoxazol-4-yl)-N-methyl- 4-pyridin-...)
Show SMILES CNc1nc2ccc(-c3c(C)noc3C)c3OCC(c4ccccn4)n1c23
Show InChI InChI=1/C20H19N5O2/c1-11-17(12(2)27-24-11)13-7-8-15-18-19(13)26-10-16(14-6-4-5-9-22-14)25(18)20(21-3)23-15/h4-9,16H,10H2,1-3H3,(H,21,23)
PDB

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



Incyte Holdings Corporation; 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 US10464947 (2019)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM318658
PNG
(7-(3,5-dimethylisoxazol-4-yl)-N,N- dimethyl-4-pyri...)
Show SMILES CN(C)c1nc2ccc(-c3c(C)noc3C)c3OCC(c4ccccn4)n1c23
Show InChI InChI=1/C21H21N5O2/c1-12-18(13(2)28-24-12)14-8-9-16-19-20(14)27-11-17(15-7-5-6-10-22-15)26(19)21(23-16)25(3)4/h5-10,17H,11H2,1-4H3
PDB

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



Incyte Holdings Corporation; 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 US10464947 (2019)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM318659
PNG
(1-[(4S)-7-(3,5-dimethylisoxazol-4-yl)-4- pyridin-2...)
Show SMILES Cc1noc(C)c1-c1ccc2nc(N3CCC(CC3)C(N)=O)n3[C@H](COc1c23)c1ccccn1
Show InChI InChI=1S/C25H26N6O3/c1-14-21(15(2)34-29-14)17-6-7-19-22-23(17)33-13-20(18-5-3-4-10-27-18)31(22)25(28-19)30-11-8-16(9-12-30)24(26)32/h3-7,10,16,20H,8-9,11-13H2,1-2H3,(H2,26,32)/t20-/m1/s1
PDB

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



Incyte Holdings Corporation; 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 US10464947 (2019)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM318660
PNG
(1-[(4S)-7-(3,5-dimethylisoxazol-4-yl)-4- pyridin-2...)
Show SMILES CNC(=O)C1CCN(CC1)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23
Show InChI InChI=1S/C26H28N6O3/c1-15-22(16(2)35-30-15)18-7-8-20-23-24(18)34-14-21(19-6-4-5-11-28-19)32(23)26(29-20)31-12-9-17(10-13-31)25(33)27-3/h4-8,11,17,21H,9-10,12-14H2,1-3H3,(H,27,33)/t21-/m1/s1
PDB

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n/an/a<100n/an/an/an/an/an/a



Incyte Holdings Corporation; 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 US10464947 (2019)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM318661
PNG
(N-{1-[(4S)-7-(3,5-dimethylisoxazol-4- yl)-4-pyridi...)
Show SMILES CC(=O)NC1CCN(CC1)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23
Show InChI InChI=1S/C26H28N6O3/c1-15-23(16(2)35-30-15)19-7-8-21-24-25(19)34-14-22(20-6-4-5-11-27-20)32(24)26(29-21)31-12-9-18(10-13-31)28-17(3)33/h4-8,11,18,22H,9-10,12-14H2,1-3H3,(H,28,33)/t22-/m1/s1
PDB

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



Incyte Holdings Corporation; 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 US10464947 (2019)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM318662
PNG
(2-{4-[(4S)-7-(3,5-dimethylisoxazol-4- yl)-4-pyridi...)
Show SMILES Cc1noc(C)c1-c1ccc2nc(N3CCN(CC(N)=O)CC3)n3[C@H](COc1c23)c1ccccn1
Show InChI InChI=1S/C25H27N7O3/c1-15-22(16(2)35-29-15)17-6-7-19-23-24(17)34-14-20(18-5-3-4-8-27-18)32(23)25(28-19)31-11-9-30(10-12-31)13-21(26)33/h3-8,20H,9-14H2,1-2H3,(H2,26,33)/t20-/m1/s1
PDB

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



Incyte Holdings Corporation; 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 US10464947 (2019)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM318663
PNG
((4S)-7-(3,5-dimethylisoxazol-4-yl)-2-(4- ethylpipe...)
Show SMILES CCN1CCN(CC1)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23
Show InChI InChI=1S/C25H28N6O2/c1-4-29-11-13-30(14-12-29)25-27-20-9-8-18(22-16(2)28-33-17(22)3)24-23(20)31(25)21(15-32-24)19-7-5-6-10-26-19/h5-10,21H,4,11-15H2,1-3H3/t21-/m1/s1
PDB

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



Incyte Holdings Corporation; 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 US10464947 (2019)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM318664
PNG
((4S)-7-(3,5-dimethylisoxazol-4-yl)-2- [(8aS)-hexah...)
Show SMILES Cc1noc(C)c1-c1ccc2nc(N3CCN4CCC[C@H]4C3)n3[C@H](COc1c23)c1ccccn1
Show InChI InChI=1S/C26H28N6O2/c1-16-23(17(2)34-29-16)19-8-9-21-24-25(19)33-15-22(20-7-3-4-10-27-20)32(24)26(28-21)31-13-12-30-11-5-6-18(30)14-31/h3-4,7-10,18,22H,5-6,11-15H2,1-2H3/t18-,22+/m0/s1
PDB

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n/an/a<100n/an/an/an/an/an/a



Incyte Holdings Corporation; 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 US10464947 (2019)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM318665
PNG
((4S)-7-(3,5-dimethylisoxazol-4-yl)-2- [(8aR)-hexah...)
Show SMILES Cc1noc(C)c1-c1ccc2nc(N3CCN4CCC[C@@H]4C3)n3[C@H](COc1c23)c1ccccn1
Show InChI InChI=1S/C26H28N6O2/c1-16-23(17(2)34-29-16)19-8-9-21-24-25(19)33-15-22(20-7-3-4-10-27-20)32(24)26(28-21)31-13-12-30-11-5-6-18(30)14-31/h3-4,7-10,18,22H,5-6,11-15H2,1-2H3/t18-,22-/m1/s1
PDB

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



Incyte Holdings Corporation; 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 US10464947 (2019)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM318666
PNG
(1-[(4S)-7-(3,5-dimethylisoxazol-4-yl)-4- pyridin-2...)
Show SMILES Cc1noc(C)c1-c1ccc2nc(N3CCC(C)(O)CC3)n3[C@H](COc1c23)c1ccccn1
Show InChI InChI=1S/C25H27N5O3/c1-15-21(16(2)33-28-15)17-7-8-19-22-23(17)32-14-20(18-6-4-5-11-26-18)30(22)24(27-19)29-12-9-25(3,31)10-13-29/h4-8,11,20,31H,9-10,12-14H2,1-3H3/t20-/m1/s1
PDB

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n/an/a<100n/an/an/an/an/an/a



Incyte Holdings Corporation; 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 US10464947 (2019)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM318667
PNG
(4-[(4S)-7-(3,5-dimethylisoxazol-4-yl)-4- pyridin-2...)
Show SMILES CC1N(CCNC1=O)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23
Show InChI InChI=1S/C24H24N6O3/c1-13-20(15(3)33-28-13)16-7-8-18-21-22(16)32-12-19(17-6-4-5-9-25-17)30(21)24(27-18)29-11-10-26-23(31)14(29)2/h4-9,14,19H,10-12H2,1-3H3,(H,26,31)/t14?,19-/m1/s1
PDB

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n/an/a<100n/an/an/an/an/an/a



Incyte Holdings Corporation; 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 US10464947 (2019)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM318668
PNG
(US10464947, Example 196 | US9624241, Example 196 |...)
Show SMILES Cc1noc(C)c1-c1ccc2nc(N3CC(C3)NC(=O)OC(C)(C)C)n3[C@H](COc1c23)c1ccccn1
Show InChI InChI=1S/C27H30N6O4/c1-15-22(16(2)37-31-15)18-9-10-20-23-24(18)35-14-21(19-8-6-7-11-28-19)33(23)25(30-20)32-12-17(13-32)29-26(34)36-27(3,4)5/h6-11,17,21H,12-14H2,1-5H3,(H,29,34)/t21-/m1/s1
PDB

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n/an/a<100n/an/an/an/an/an/a



Incyte Holdings Corporation; 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 US10464947 (2019)

More data for this
Ligand-Target Pair
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