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Patent code US9777003

Compile Data Set for Download or QSAR

Found 544 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
BRD4 - BD2


(Homo sapiens (Human))
BDBM343409
PNG
(US9777003, Example 8)
Show SMILES Cc1cc2c(ccc3nnc(C)n23)n1Cc1ccccc1Cl
Show InChI InChI=1S/C17H15ClN4/c1-11-9-16-15(7-8-17-20-19-12(2)22(16)17)21(11)10-13-5-3-4-6-14(13)18/h3-9H,10H2,1-2H3
PDB
MMDB

UniProtKB/SwissProt

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



Incyte Corporation

US Patent


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


US Patent US9777003 (2017)

More data for this
Ligand-Target Pair
BRD4 - BD2


(Homo sapiens (Human))
BDBM343415
PNG
(US9777003, Example 14)
Show SMILES Cc1cc2c(ccc3nnc(C)n23)n1Cc1ccccc1F
Show InChI InChI=1S/C17H15FN4/c1-11-9-16-15(7-8-17-20-19-12(2)22(16)17)21(11)10-13-5-3-4-6-14(13)18/h3-9H,10H2,1-2H3
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 US9777003 (2017)

More data for this
Ligand-Target Pair
BRD4 - BD2


(Homo sapiens (Human))
BDBM343423
PNG
(US9777003, Example 22)
Show SMILES COc1cccc(Cn2c(C)cc3c2ccc2nnc(C)n32)c1
Show InChI InChI=1S/C18H18N4O/c1-12-9-17-16(7-8-18-20-19-13(2)22(17)18)21(12)11-14-5-4-6-15(10-14)23-3/h4-10H,11H2,1-3H3
PDB
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UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



Incyte Corporation

US Patent


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


US Patent US9777003 (2017)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM343424
PNG
(US9777003, Example 23)
Show SMILES Cc1cc2c(ccc3nnc(C)n23)n1Cc1cccc(O)c1
Show InChI InChI=1S/C17H16N4O/c1-11-8-16-15(6-7-17-19-18-12(2)21(16)17)20(11)10-13-4-3-5-14(22)9-13/h3-9,22H,10H2,1-2H3
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 US9777003 (2017)

More data for this
Ligand-Target Pair
BRD4 - BD2


(Homo sapiens (Human))
BDBM343433
PNG
(US9777003, Example 32)
Show SMILES CNC(=O)c1cccc(Cn2c(C)cc3c2ccc2nnc(C)n32)c1
Show InChI InChI=1S/C19H19N5O/c1-12-9-17-16(7-8-18-22-21-13(2)24(17)18)23(12)11-14-5-4-6-15(10-14)19(25)20-3/h4-10H,11H2,1-3H3,(H,20,25)
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 US9777003 (2017)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM343447
PNG
(US9777003, Example 46)
Show SMILES Cc1cc2c(ccc3nnc(C)n23)n1Cc1cccc(CN2CCCCC2)c1
Show InChI InChI=1S/C23H27N5/c1-17-13-22-21(9-10-23-25-24-18(2)28(22)23)27(17)16-20-8-6-7-19(14-20)15-26-11-4-3-5-12-26/h6-10,13-14H,3-5,11-12,15-16H2,1-2H3
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 US9777003 (2017)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM343451
PNG
(US9777003, Example 50)
Show SMILES Cc1cc2c(ccc3nnc(C)n23)n1Cc1ccc(CN2CCC2)cc1
Show InChI InChI=1S/C21H23N5/c1-15-12-20-19(8-9-21-23-22-16(2)26(20)21)25(15)14-18-6-4-17(5-7-18)13-24-10-3-11-24/h4-9,12H,3,10-11,13-14H2,1-2H3
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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 US9777003 (2017)

More data for this
Ligand-Target Pair
BRD4 - BD2


(Homo sapiens (Human))
BDBM343459
PNG
(US9777003, Example 58)
Show SMILES Cc1nnc2ccc3n(Cc4ccccc4)c(cc3n12)C(N)=O
Show InChI InChI=1S/C17H15N5O/c1-11-19-20-16-8-7-13-14(22(11)16)9-15(17(18)23)21(13)10-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H2,18,23)
PDB
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Incyte Corporation

US Patent


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


US Patent US9777003 (2017)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM343460
PNG
(US9777003, Example 59)
Show SMILES CCNC(=O)c1cc2c(ccc3nnc(C)n23)n1Cc1ccccc1
Show InChI InChI=1S/C19H19N5O/c1-3-20-19(25)17-11-16-15(9-10-18-22-21-13(2)24(16)18)23(17)12-14-7-5-4-6-8-14/h4-11H,3,12H2,1-2H3,(H,20,25)
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 US9777003 (2017)

More data for this
Ligand-Target Pair
BRD4 - BD2


(Homo sapiens (Human))
BDBM343479
PNG
(US9777003, Example 78)
Show SMILES Cc1nnc2ccc3n(Cc4ccccc4)c(cc3n12)-c1ccn(CCC#N)n1
Show InChI InChI=1S/C22H19N7/c1-16-24-25-22-9-8-19-21(29(16)22)14-20(18-10-13-27(26-18)12-5-11-23)28(19)15-17-6-3-2-4-7-17/h2-4,6-10,13-14H,5,12,15H2,1H3
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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 US9777003 (2017)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM343481
PNG
(US9777003, Example 80)
Show SMILES CCn1cnc(c1)-c1cc2c(ccc3nnc(C)n23)n1Cc1ccccc1
Show InChI InChI=1S/C21H20N6/c1-3-25-13-17(22-14-25)19-11-20-18(9-10-21-24-23-15(2)27(20)21)26(19)12-16-7-5-4-6-8-16/h4-11,13-14H,3,12H2,1-2H3
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 US9777003 (2017)

More data for this
Ligand-Target Pair
BRD4 - BD2


(Homo sapiens (Human))
BDBM343482
PNG
(US9777003, Example 81)
Show SMILES Cc1nnc2ccc3n(Cc4ccccc4)c(cc3n12)-c1cn(CCC#N)cn1
Show InChI InChI=1S/C22H19N7/c1-16-25-26-22-9-8-19-21(29(16)22)12-20(18-14-27(15-24-18)11-5-10-23)28(19)13-17-6-3-2-4-7-17/h2-4,6-9,12,14-15H,5,11,13H2,1H3
PDB
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GoogleScholar
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UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



Incyte Corporation

US Patent


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


US Patent US9777003 (2017)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM343483
PNG
(US9777003, Example 82)
Show SMILES CNC(=O)c1cc2c(ccc3nnc(C)n23)n1Cc1ccccc1
Show InChI InChI=1S/C18H17N5O/c1-12-20-21-17-9-8-14-15(23(12)17)10-16(18(24)19-2)22(14)11-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H,19,24)
PDB

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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 US9777003 (2017)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM343493
PNG
(US9777003, Example 92)
Show SMILES Cc1nnc2ccc3n(Cc4ccccc4)c(cc3n12)-c1ccn(n1)C1(CC#N)CN(C1)S(C)(=O)=O
Show InChI InChI=1S/C25H24N8O2S/c1-18-27-28-24-9-8-21-23(33(18)24)14-22(31(21)15-19-6-4-3-5-7-19)20-10-13-32(29-20)25(11-12-26)16-30(17-25)36(2,34)35/h3-10,13-14H,11,15-17H2,1-2H3
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 US9777003 (2017)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM343497
PNG
(US9777003, Example 96)
Show SMILES CCNC(=O)CCn1ccc(n1)-c1cc2c(ccc3nnc(C)n23)n1Cc1ccccc1
Show InChI InChI=1S/C24H25N7O/c1-3-25-24(32)12-14-29-13-11-19(28-29)21-15-22-20(9-10-23-27-26-17(2)31(22)23)30(21)16-18-7-5-4-6-8-18/h4-11,13,15H,3,12,14,16H2,1-2H3,(H,25,32)
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 US9777003 (2017)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM343499
PNG
(US9777003, Example 98)
Show SMILES Cc1nnc2ccc3n(Cc4ccccc4)c(cc3n12)-c1ccn(CCC(N)=O)n1
Show InChI InChI=1S/C22H21N7O/c1-15-24-25-22-8-7-18-20(29(15)22)13-19(28(18)14-16-5-3-2-4-6-16)17-9-11-27(26-17)12-10-21(23)30/h2-9,11,13H,10,12,14H2,1H3,(H2,23,30)
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 US9777003 (2017)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM343501
PNG
(US9777003, Example 100)
Show SMILES Cc1nnc2ccc3n(Cc4ccccc4)c(cc3n12)C(=O)N[C@H]1C[C@@H](C1)C#N
Show InChI InChI=1S/C22H20N6O/c1-14-25-26-21-8-7-18-19(28(14)21)11-20(22(29)24-17-9-16(10-17)12-23)27(18)13-15-5-3-2-4-6-15/h2-8,11,16-17H,9-10,13H2,1H3,(H,24,29)/t16-,17-
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 US9777003 (2017)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM343512
PNG
(US9777003, Example 111)
Show SMILES CC(C)N1CC(CC#N)(C1)N\C=C/C(=N)c1cc2c(ccc3nnc(C)n23)n1Cc1ccccc1
Show InChI InChI=1S/C27H30N8/c1-19(2)33-17-27(18-33,12-13-28)30-14-11-22(29)24-15-25-23(9-10-26-32-31-20(3)35(25)26)34(24)16-21-7-5-4-6-8-21/h4-11,14-15,19,29-30H,12,16-18H2,1-3H3/b14-11-,29-22?
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 US9777003 (2017)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM343532
PNG
(US9777003, Example 131)
Show SMILES CNC(=O)c1cc2c(ccc3nnc(C)n23)n1Cc1cc(Cl)cc(CN2CCC2)c1
Show InChI InChI=1S/C22H23ClN6O/c1-14-25-26-21-5-4-18-19(29(14)21)11-20(22(30)24-2)28(18)13-16-8-15(9-17(23)10-16)12-27-6-3-7-27/h4-5,8-11H,3,6-7,12-13H2,1-2H3,(H,24,30)
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 US9777003 (2017)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM343533
PNG
(US9777003, Example 132)
Show SMILES CNC(=O)c1cc2c(ccc3nnc(C)n23)n1Cc1cc(Cl)cc(CN2CCCC2)c1
Show InChI InChI=1S/C23H25ClN6O/c1-15-26-27-22-6-5-19-20(30(15)22)12-21(23(31)25-2)29(19)14-17-9-16(10-18(24)11-17)13-28-7-3-4-8-28/h5-6,9-12H,3-4,7-8,13-14H2,1-2H3,(H,25,31)
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 US9777003 (2017)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM343534
PNG
(US9777003, Example 133)
Show SMILES CCNC(=O)c1cc2c(ccc3nnc(C)n23)n1Cc1cc(Cl)cc(CN2CCCC2)c1
Show InChI InChI=1S/C24H27ClN6O/c1-3-26-24(32)22-13-21-20(6-7-23-28-27-16(2)31(21)23)30(22)15-18-10-17(11-19(25)12-18)14-29-8-4-5-9-29/h6-7,10-13H,3-5,8-9,14-15H2,1-2H3,(H,26,32)
PDB

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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 US9777003 (2017)

More data for this
Ligand-Target Pair
BRD4 - BD2


(Homo sapiens (Human))
BDBM343542
PNG
(US9777003, Example 141)
Show SMILES Cc1nnc2ccc3n(Cc4cccc(Cl)c4)c(cc3n12)C(=N)OC=N
Show InChI InChI=1S/C18H15ClN6O/c1-11-22-23-17-6-5-14-15(25(11)17)8-16(18(21)26-10-20)24(14)9-12-3-2-4-13(19)7-12/h2-8,10,20-21H,9H2,1H3
PDB
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UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



Incyte Corporation

US Patent


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


US Patent US9777003 (2017)

More data for this
Ligand-Target Pair
BRD4 - BD2


(Homo sapiens (Human))
BDBM343543
PNG
(US9777003, Example 142)
Show SMILES CNC(=O)Nc1cc2n(Cc3cc(Cl)cc(CN4CCCC4)c3)c(C)cc2n2c(C)nnc12
Show InChI InChI=1S/C24H28ClN7O/c1-15-8-22-21(12-20(27-24(33)26-3)23-29-28-16(2)32(22)23)31(15)14-18-9-17(10-19(25)11-18)13-30-6-4-5-7-30/h8-12H,4-7,13-14H2,1-3H3,(H2,26,27,33)
PDB
MMDB

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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 US9777003 (2017)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM343545
PNG
(US9777003, Example 144)
Show SMILES CN1CCCC(C1)Nc1cc2n(Cc3ccccc3)c(C)cc2n2c(C)nnc12
Show InChI InChI=1S/C23H28N6/c1-16-12-22-21(28(16)14-18-8-5-4-6-9-18)13-20(23-26-25-17(2)29(22)23)24-19-10-7-11-27(3)15-19/h4-6,8-9,12-13,19,24H,7,10-11,14-15H2,1-3H3
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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 US9777003 (2017)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM343547
PNG
(US9777003, Example 146)
Show SMILES Cc1cc2c(cc(NC3CCOCC3)c3nnc(C)n23)n1Cc1ccccc1
Show InChI InChI=1S/C22H25N5O/c1-15-12-21-20(26(15)14-17-6-4-3-5-7-17)13-19(22-25-24-16(2)27(21)22)23-18-8-10-28-11-9-18/h3-7,12-13,18,23H,8-11,14H2,1-2H3
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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 US9777003 (2017)

More data for this
Ligand-Target Pair
BRD4 - BD2


(Homo sapiens (Human))
BDBM343547
PNG
(US9777003, Example 146)
Show SMILES Cc1cc2c(cc(NC3CCOCC3)c3nnc(C)n23)n1Cc1ccccc1
Show InChI InChI=1S/C22H25N5O/c1-15-12-21-20(26(15)14-17-6-4-3-5-7-17)13-19(22-25-24-16(2)27(21)22)23-18-8-10-28-11-9-18/h3-7,12-13,18,23H,8-11,14H2,1-2H3
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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 US9777003 (2017)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM343553
PNG
(US9777003, Example 152)
Show SMILES Cc1cc2c(cc(N[C@H]3CCNC3)c3nnc(C)n23)n1Cc1ccccc1
Show InChI InChI=1S/C21H24N6/c1-14-10-20-19(26(14)13-16-6-4-3-5-7-16)11-18(23-17-8-9-22-12-17)21-25-24-15(2)27(20)21/h3-7,10-11,17,22-23H,8-9,12-13H2,1-2H3/t17-/m0/s1
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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 US9777003 (2017)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM343554
PNG
(US9777003, Example 153)
Show SMILES CN1CCC(CC1)Nc1cc2n(Cc3ccccn3)c(C)cc2n2c(C)nnc12
Show InChI InChI=1S/C22H27N7/c1-15-12-21-20(28(15)14-18-6-4-5-9-23-18)13-19(22-26-25-16(2)29(21)22)24-17-7-10-27(3)11-8-17/h4-6,9,12-13,17,24H,7-8,10-11,14H2,1-3H3
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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 US9777003 (2017)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM343556
PNG
(US9777003, Example 155)
Show SMILES Cc1nnc2ccc3n(Cc4cccc(Cl)c4)c(cc3n12)-c1ccn[nH]1
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Assay Description
BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 20 μL for BD1 and 40 μL for BD2. Inhib...


US Patent US9777003 (2017)

More data for this
Ligand-Target Pair
BRD4 - BD2


(Homo sapiens (Human))
BDBM343557
PNG
(US9777003, Example 156)
Show SMILES Cc1nnc2ccc3n(Cc4cccc(Cl)c4)c(cc3n12)C1=CC=[N](N1)C1CNC1
Show InChI InChI=1S/C22H21ClN7/c1-14-25-26-22-6-5-19-21(30(14)22)10-20(18-7-8-29(27-18)17-11-24-12-17)28(19)13-15-3-2-4-16(23)9-15/h2-10,17,24,27H,11-13H2,1H3
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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 US9777003 (2017)

More data for this
Ligand-Target Pair
BRD4 - BD2


(Homo sapiens (Human))
BDBM343560
PNG
(US9777003, Example 159)
Show SMILES Cc1nnc2ccc3n(Cc4cccc(Cl)c4)c(cc3n12)-c1ccn(CCC(N)=O)n1
Show InChI InChI=1S/C22H20ClN7O/c1-14-25-26-22-6-5-18-20(30(14)22)12-19(17-7-9-28(27-17)10-8-21(24)31)29(18)13-15-3-2-4-16(23)11-15/h2-7,9,11-12H,8,10,13H2,1H3,(H2,24,31)
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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 US9777003 (2017)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM343561
PNG
(US9777003, Example 160)
Show SMILES CCN1CC(C1)n1ccc(n1)-c1cc2c(ccc3nnc(C)n23)n1Cc1cccc(Cl)c1
Show InChI InChI=1S/C24H24ClN7/c1-3-29-14-19(15-29)31-10-9-20(28-31)22-12-23-21(7-8-24-27-26-16(2)32(23)24)30(22)13-17-5-4-6-18(25)11-17/h4-12,19H,3,13-15H2,1-2H3
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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 US9777003 (2017)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM343563
PNG
(US9777003, Example 162)
Show SMILES CN(C)CC(=O)N1CC(C1)n1ccc(n1)-c1cc2c(ccc3nnc(C)n23)n1Cc1cccc(Cl)c1
Show InChI InChI=1S/C26H27ClN8O/c1-17-28-29-25-8-7-22-24(35(17)25)12-23(33(22)13-18-5-4-6-19(27)11-18)21-9-10-34(30-21)20-14-32(15-20)26(36)16-31(2)3/h4-12,20H,13-16H2,1-3H3
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Assay Description
BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 20 μL for BD1 and 40 μL for BD2. Inhib...


US Patent US9777003 (2017)

More data for this
Ligand-Target Pair
BRD4 - BD2


(Homo sapiens (Human))
BDBM343568
PNG
(US9777003, Example 167)
Show SMILES CCOC(=O)N1CC(C1)n1ccc(n1)-c1cc2c(ccc3nnc(C)n23)n1Cc1cccc(Cl)c1
Show InChI InChI=1S/C25H24ClN7O2/c1-3-35-25(34)30-14-19(15-30)32-10-9-20(29-32)22-12-23-21(7-8-24-28-27-16(2)33(23)24)31(22)13-17-5-4-6-18(26)11-17/h4-12,19H,3,13-15H2,1-2H3
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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 US9777003 (2017)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM343569
PNG
(US9777003, Example 168)
Show SMILES Cc1nnc2ccc3n(Cc4cccc(Cl)c4)c(cc3n12)-c1ccn(CCC(=O)NC2COC2)n1
Show InChI InChI=1S/C25H24ClN7O2/c1-16-28-29-24-6-5-21-23(33(16)24)12-22(32(21)13-17-3-2-4-18(26)11-17)20-7-9-31(30-20)10-8-25(34)27-19-14-35-15-19/h2-7,9,11-12,19H,8,10,13-15H2,1H3,(H,27,34)
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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 US9777003 (2017)

More data for this
Ligand-Target Pair
BRD4 - BD2


(Homo sapiens (Human))
BDBM343571
PNG
(US9777003, Example 170)
Show SMILES Cc1nnc2ccc3n(Cc4cccc(Cl)c4)c(cc3n12)-c1ccn(CCC(=O)NC2CCOCC2)n1
Show InChI InChI=1S/C27H28ClN7O2/c1-18-30-31-26-6-5-23-25(35(18)26)16-24(34(23)17-19-3-2-4-20(28)15-19)22-7-11-33(32-22)12-8-27(36)29-21-9-13-37-14-10-21/h2-7,11,15-16,21H,8-10,12-14,17H2,1H3,(H,29,36)
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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 US9777003 (2017)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM343578
PNG
(US9777003, Example 177)
Show SMILES Cc1nnc2ccc3n(Cc4cccc(Cl)c4)c(cc3n12)-c1ccn(n1)C1COC1
Show InChI InChI=1S/C22H19ClN6O/c1-14-24-25-22-6-5-19-21(29(14)22)10-20(18-7-8-28(26-18)17-12-30-13-17)27(19)11-15-3-2-4-16(23)9-15/h2-10,17H,11-13H2,1H3
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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 US9777003 (2017)

More data for this
Ligand-Target Pair
BRD4 - BD2


(Homo sapiens (Human))
BDBM343582
PNG
(US9777003, Example 181)
Show SMILES Cc1nnc2ccc3n(Cc4cccc(Cl)c4)c(cc3n12)-c1ccn(n1)C1CN(CCC#N)C1
Show InChI InChI=1S/C25H23ClN8/c1-17-28-29-25-7-6-22-24(34(17)25)13-23(32(22)14-18-4-2-5-19(26)12-18)21-8-11-33(30-21)20-15-31(16-20)10-3-9-27/h2,4-8,11-13,20H,3,10,14-16H2,1H3
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Assay Description
BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 20 μL for BD1 and 40 μL for BD2. Inhib...


US Patent US9777003 (2017)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM343590
PNG
(US9777003, Example 189)
Show SMILES CCn1ccc(n1)-c1cc2c(ccc3nnc(C)n23)n1Cc1cc(Cl)cc(CN2CCCC2)c1
Show InChI InChI=1S/C26H28ClN7/c1-3-32-11-8-22(30-32)24-15-25-23(6-7-26-29-28-18(2)34(25)26)33(24)17-20-12-19(13-21(27)14-20)16-31-9-4-5-10-31/h6-8,11-15H,3-5,9-10,16-17H2,1-2H3
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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 US9777003 (2017)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM343591
PNG
(US9777003, Example 190)
Show SMILES Cc1nnc2ccc3n(Cc4cc(Cl)cc(CN5CCCC5)c4)c(cc3n12)-c1ccn(C)n1
Show InChI InChI=1S/C25H26ClN7/c1-17-27-28-25-6-5-22-24(33(17)25)14-23(21-7-10-30(2)29-21)32(22)16-19-11-18(12-20(26)13-19)15-31-8-3-4-9-31/h5-7,10-14H,3-4,8-9,15-16H2,1-2H3
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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 US9777003 (2017)

More data for this
Ligand-Target Pair
BRD4 - BD2


(Homo sapiens (Human))
BDBM343592
PNG
(US9777003, Example 191)
Show SMILES CN(C)Cc1cc(Cl)cc(Cn2c(cc3c2ccc2nnc(C)n32)-c2ccn(C)n2)c1
Show InChI InChI=1S/C23H24ClN7/c1-15-25-26-23-6-5-20-22(31(15)23)12-21(19-7-8-29(4)27-19)30(20)14-17-9-16(13-28(2)3)10-18(24)11-17/h5-12H,13-14H2,1-4H3
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Assay Description
BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 20 μL for BD1 and 40 μL for BD2. Inhib...


US Patent US9777003 (2017)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM343594
PNG
(US9777003, Example 193)
Show SMILES Cc1nnc2ccc3n(Cc4cccc(Cl)c4)c(cc3n12)C1=NCCO1
Show InChI InChI=1S/C19H16ClN5O/c1-12-22-23-18-6-5-15-16(25(12)18)10-17(19-21-7-8-26-19)24(15)11-13-3-2-4-14(20)9-13/h2-6,9-10H,7-8,11H2,1H3
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Assay Description
BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 20 μL for BD1 and 40 μL for BD2. Inhib...


US Patent US9777003 (2017)

More data for this
Ligand-Target Pair
BRD4 - BD2


(Homo sapiens (Human))
BDBM343595
PNG
(US9777003, Example 194)
Show SMILES Cc1nnc2ccc3n(Cc4cccc(Cl)c4)c(cc3n12)-c1ncco1
Show InChI InChI=1S/C19H14ClN5O/c1-12-22-23-18-6-5-15-16(25(12)18)10-17(19-21-7-8-26-19)24(15)11-13-3-2-4-14(20)9-13/h2-10H,11H2,1H3
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Assay Description
BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 20 μL for BD1 and 40 μL for BD2. Inhib...


US Patent US9777003 (2017)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM343596
PNG
(US9777003, Example 195)
Show SMILES Cc1nnc2ccc3n(Cc4cc(Cl)cc(CN5CCC5)c4)c(cc3n12)-c1ncco1
Show InChI InChI=1S/C23H21ClN6O/c1-15-26-27-22-4-3-19-20(30(15)22)12-21(23-25-5-8-31-23)29(19)14-17-9-16(10-18(24)11-17)13-28-6-2-7-28/h3-5,8-12H,2,6-7,13-14H2,1H3
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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 US9777003 (2017)

More data for this
Ligand-Target Pair
BRD4 - BD2


(Homo sapiens (Human))
BDBM343600
PNG
(US9777003, Example 199)
Show SMILES Cc1nnc2ccc3n(Cc4cc(Cl)cc(CN5CCC(O)C5)c4)c(cc3n12)-c1ncco1
Show InChI InChI=1S/C24H23ClN6O2/c1-15-27-28-23-3-2-20-21(31(15)23)11-22(24-26-5-7-33-24)30(20)13-17-8-16(9-18(25)10-17)12-29-6-4-19(32)14-29/h2-3,5,7-11,19,32H,4,6,12-14H2,1H3
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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 US9777003 (2017)

More data for this
Ligand-Target Pair
BRD4 - BD2


(Homo sapiens (Human))
BDBM343603
PNG
(US9777003, Example 202)
Show SMILES Cc1cc2c(cc(Nc3ccn(C)n3)c3nnc(C)n23)n1Cc1ccccc1
Show InChI InChI=1S/C21H21N7/c1-14-11-19-18(27(14)13-16-7-5-4-6-8-16)12-17(21-24-23-15(2)28(19)21)22-20-9-10-26(3)25-20/h4-12H,13H2,1-3H3,(H,22,25)
PDB
MMDB

UniProtKB/SwissProt

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



Incyte Corporation

US Patent


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


US Patent US9777003 (2017)

More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM343608
PNG
(US9777003, Example 207 | US9777003, Example 223)
Show SMILES CN1CCC(CC1)Nc1cc2n(Cc3ccccc3)c(C)cc2n2c(C)nnc12
Show InChI InChI=1S/C23H28N6/c1-16-13-22-21(28(16)15-18-7-5-4-6-8-18)14-20(23-26-25-17(2)29(22)23)24-19-9-11-27(3)12-10-19/h4-8,13-14,19,24H,9-12,15H2,1-3H3
PDB

UniProtKB/SwissProt

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



Incyte Corporation

US Patent


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


US Patent US9777003 (2017)

More data for this
Ligand-Target Pair
BRD4 - BD2


(Homo sapiens (Human))
BDBM343610
PNG
(US9777003, Example 209)
Show SMILES COCCNc1cc2n(Cc3ccccc3)c(C)cc2n2c(C)nnc12
Show InChI InChI=1S/C20H23N5O/c1-14-11-19-18(24(14)13-16-7-5-4-6-8-16)12-17(21-9-10-26-3)20-23-22-15(2)25(19)20/h4-8,11-12,21H,9-10,13H2,1-3H3
PDB
MMDB

UniProtKB/SwissProt

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



Incyte Corporation

US Patent


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


US Patent US9777003 (2017)

More data for this
Ligand-Target Pair
BRD4 - BD2


(Homo sapiens (Human))
BDBM343614
PNG
(US9777003, Example 213)
Show SMILES CC(C)N1CCC(CC1)Nc1cc2n(Cc3ccccc3)c(C)cc2n2c(C)nnc12
Show InChI InChI=1S/C25H32N6/c1-17(2)29-12-10-21(11-13-29)26-22-15-23-24(31-19(4)27-28-25(22)31)14-18(3)30(23)16-20-8-6-5-7-9-20/h5-9,14-15,17,21,26H,10-13,16H2,1-4H3
PDB
MMDB

UniProtKB/SwissProt

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



Incyte Corporation

US Patent


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


US Patent US9777003 (2017)

More data for this
Ligand-Target Pair
BRD4 - BD2


(Homo sapiens (Human))
BDBM343616
PNG
(US9777003, Example 215 | a and 215 b: 4-[(6-benzyl...)
Show SMILES Cc1cc2c(cc(N[C@H]3CC[C@H](CC3)C#N)c3nnc(C)n23)n1Cc1ccccc1
Show InChI InChI=1S/C24H26N6/c1-16-12-23-22(29(16)15-19-6-4-3-5-7-19)13-21(24-28-27-17(2)30(23)24)26-20-10-8-18(14-25)9-11-20/h3-7,12-13,18,20,26H,8-11,15H2,1-2H3/t18-,20+
PDB
MMDB

UniProtKB/SwissProt

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



Incyte Corporation

US Patent


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


US Patent US9777003 (2017)

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