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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 - BD1


(Homo sapiens (Human))
BDBM343429
PNG
(US10442803, Example 28 | US9777003, Example 28)
Show SMILES Cc1cc2c(ccc3nnc(C)n23)n1Cc1cccc(CN2CCC2)c1
Show InChI InChI=1S/C21H23N5/c1-15-11-20-19(7-8-21-23-22-16(2)26(20)21)25(15)14-18-6-3-5-17(12-18)13-24-9-4-10-24/h3,5-8,11-12H,4,9-10,13-14H2,1-2H3
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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)


Article DOI: 10.1016/j.jmb.2004.09.032
BindingDB Entry DOI: 10.7270/Q2FQ9ZRR
More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM343441
PNG
(US10442803, Example 40 | US9777003, Example 40)
Show SMILES CN(C)Cc1cccc(Cn2c(C)cc3c2ccc2nnc(C)n32)c1
Show InChI InChI=1S/C20H23N5/c1-14-10-19-18(8-9-20-22-21-15(2)25(19)20)24(14)13-17-7-5-6-16(11-17)12-23(3)4/h5-11H,12-13H2,1-4H3
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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)


Article DOI: 10.1016/j.jmb.2004.09.032
BindingDB Entry DOI: 10.7270/Q2FQ9ZRR
More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM343442
PNG
(US10442803, Example 41 | US9777003, Example 41)
Show SMILES CNCc1cccc(Cn2c(C)cc3c2ccc2nnc(C)n32)c1
Show InChI InChI=1S/C19H21N5/c1-13-9-18-17(7-8-19-22-21-14(2)24(18)19)23(13)12-16-6-4-5-15(10-16)11-20-3/h4-10,20H,11-12H2,1-3H3
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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)


Article DOI: 10.1016/j.jmb.2004.09.032
BindingDB Entry DOI: 10.7270/Q2FQ9ZRR
More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM343451
PNG
(US10442803, Example 50 | 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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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)


Article DOI: 10.1016/j.jmb.2004.09.032
BindingDB Entry DOI: 10.7270/Q2FQ9ZRR
More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM343477
PNG
(US10442803, Example 76 | US9777003, Example 76)
Show SMILES Cc1nnc2ccc3n(Cc4ccccc4)c(cc3n12)-c1ccn(C)n1
Show InChI InChI=1S/C20H18N6/c1-14-21-22-20-9-8-17-19(26(14)20)12-18(16-10-11-24(2)23-16)25(17)13-15-6-4-3-5-7-15/h3-12H,13H2,1-2H3
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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)


Article DOI: 10.1016/j.jmb.2004.09.032
BindingDB Entry DOI: 10.7270/Q2FQ9ZRR
More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM343518
PNG
(US10442803, Example 117 | US9777003, Example 117)
Show SMILES Cc1nnc2ccc3n(Cc4cccc(Cl)c4)c(cc3n12)C(=O)NCCO
Show InChI InChI=1S/C19H18ClN5O2/c1-12-22-23-18-6-5-15-16(25(12)18)10-17(19(27)21-7-8-26)24(15)11-13-3-2-4-14(20)9-13/h2-6,9-10,26H,7-8,11H2,1H3,(H,21,27)
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Incyte Corporation

US Patent


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


US Patent US9777003 (2017)


Article DOI: 10.1016/j.jmb.2004.09.032
BindingDB Entry DOI: 10.7270/Q2FQ9ZRR
More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM343541
PNG
(US9777003, Example 140)
Show SMILES Cc1nnc2ccc3n(Cc4cc(Cl)cc(CN5CCC5)c4)c(cc3n12)C(=N)OC=N
Show InChI InChI=1S/C22H22ClN7O/c1-14-26-27-21-4-3-18-19(30(14)21)10-20(22(25)31-13-24)29(18)12-16-7-15(8-17(23)9-16)11-28-5-2-6-28/h3-4,7-10,13,24-25H,2,5-6,11-12H2,1H3
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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)


Article DOI: 10.1016/j.jmb.2004.09.032
BindingDB Entry DOI: 10.7270/Q2FQ9ZRR
More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM343543
PNG
(US10442803, Example 142 | 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)
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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)


Article DOI: 10.1016/j.jmb.2004.09.032
BindingDB Entry DOI: 10.7270/Q2FQ9ZRR
More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM343575
PNG
(US10442803, Example 174 | US9777003, Example 174)
Show SMILES CNC(=O)CCn1ccc(n1)-c1cc2c(ccc3nnc(C)n23)n1Cc1cccc(Cl)c1
Show InChI InChI=1S/C23H22ClN7O/c1-15-26-27-22-7-6-19-21(31(15)22)13-20(30(19)14-16-4-3-5-17(24)12-16)18-8-10-29(28-18)11-9-23(32)25-2/h3-8,10,12-13H,9,11,14H2,1-2H3,(H,25,32)
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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)


Article DOI: 10.1016/j.jmb.2004.09.032
BindingDB Entry DOI: 10.7270/Q2FQ9ZRR
More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM343586
PNG
(US10442803, Example 185 | US9777003, Example 185)
Show SMILES Cc1nnc2ccc3n(Cc4cc(Cl)cc(CN5CCC5)c4)c(cc3n12)-c1ccn(C)n1
Show InChI InChI=1S/C24H24ClN7/c1-16-26-27-24-5-4-21-23(32(16)24)13-22(20-6-9-29(2)28-20)31(21)15-18-10-17(11-19(25)12-18)14-30-7-3-8-30/h4-6,9-13H,3,7-8,14-15H2,1-2H3
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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)


Article DOI: 10.1016/j.jmb.2004.09.032
BindingDB Entry DOI: 10.7270/Q2FQ9ZRR
More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM343635
PNG
(1-(6-(3,4-Difluorobenzyl)-1,7-dimethyl-6H- pyrrolo...)
Show SMILES Cc1cc2c(cc(NC(N)=O)c3nnc(C)n23)n1Cc1ccc(F)c(F)c1
Show InChI InChI=1S/C18H16F2N6O/c1-9-5-16-15(25(9)8-11-3-4-12(19)13(20)6-11)7-14(22-18(21)27)17-24-23-10(2)26(16)17/h3-7H,8H2,1-2H3,(H3,21,22,27)
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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)


Article DOI: 10.1016/j.jmb.2004.09.032
BindingDB Entry DOI: 10.7270/Q2FQ9ZRR
More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM343597
PNG
(US10442803, Example 196 | US9777003, Example 196)
Show SMILES Cc1nnc2ccc3n(Cc4cc(Cl)cc(CN5CC(C)(C)C5)c4)c(cc3n12)-c1ncco1
Show InChI InChI=1S/C25H25ClN6O/c1-16-28-29-23-5-4-20-21(32(16)23)11-22(24-27-6-7-33-24)31(20)13-18-8-17(9-19(26)10-18)12-30-14-25(2,3)15-30/h4-11H,12-15H2,1-3H3
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Incyte Corporation

US Patent


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


US Patent US9777003 (2017)


Article DOI: 10.1016/j.jmb.2004.09.032
BindingDB Entry DOI: 10.7270/Q2FQ9ZRR
More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM343616
PNG
(US10442803, Example 215 a | US9777003, Example 215...)
Show SMILES Cc1cc2c(cc(N[C@H]3CC[C@H](CC3)C#N)c3nnc(C)n23)n1Cc1ccccc1
Show InChI InChI=1/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+
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Incyte Corporation

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


US Patent US9777003 (2017)


Article DOI: 10.1016/j.jmb.2004.09.032
BindingDB Entry DOI: 10.7270/Q2FQ9ZRR
More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM343625
PNG
(US10442803, Example 224 | US9777003, Example 224)
Show SMILES C[C@@H]1C[C@@H](CCN1C)Nc1cc2n(Cc3ccccc3)c(C)cc2n2c(C)nnc12
Show InChI InChI=1/C24H30N6/c1-16-12-20(10-11-28(16)4)25-21-14-22-23(30-18(3)26-27-24(21)30)13-17(2)29(22)15-19-8-6-5-7-9-19/h5-9,13-14,16,20,25H,10-12,15H2,1-4H3/t16-,20-/s2
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Assay Description
BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 20 μL for BD1 and 40 μL for BD2. Inhib...


US Patent US9777003 (2017)


Article DOI: 10.1016/j.jmb.2004.09.032
BindingDB Entry DOI: 10.7270/Q2FQ9ZRR
More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM343648
PNG
(US10442803, Example 247 | US9777003, Example 247 |...)
Show SMILES Cc1cc2c(cc(N[C@H]3C[C@H](O)C3)c3nnc(C)n23)n1Cc1ccccc1
Show InChI InChI=1/C21H23N5O/c1-13-8-20-19(25(13)12-15-6-4-3-5-7-15)11-18(22-16-9-17(27)10-16)21-24-23-14(2)26(20)21/h3-8,11,16-17,22,27H,9-10,12H2,1-2H3/t16-,17-
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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)


Article DOI: 10.1016/j.jmb.2004.09.032
BindingDB Entry DOI: 10.7270/Q2FQ9ZRR
More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM343655
PNG
(1-(6-(2,6-Difluorobenzyl)-1,7-dimethyl-6H- pyrrolo...)
Show SMILES Cc1cc2c(cc(NC(N)=O)c3nnc(C)n23)n1Cc1c(F)cccc1F
Show InChI InChI=1S/C18H16F2N6O/c1-9-6-16-15(25(9)8-11-12(19)4-3-5-13(11)20)7-14(22-18(21)27)17-24-23-10(2)26(16)17/h3-7H,8H2,1-2H3,(H3,21,22,27)
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Assay Description
BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 20 μL for BD1 and 40 μL for BD2. Inhib...


US Patent US9777003 (2017)


Article DOI: 10.1016/j.jmb.2004.09.032
BindingDB Entry DOI: 10.7270/Q2FQ9ZRR
More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM343668
PNG
(N-(6-Benzyl-1,7-dimethyl-6H-pyrrolo[2,3- e][1,2,4]...)
Show SMILES CCC(=O)Nc1cc2n(Cc3ccccc3)c(C)cc2n2c(C)nnc12
Show InChI InChI=1S/C20H21N5O/c1-4-19(26)21-16-11-17-18(25-14(3)22-23-20(16)25)10-13(2)24(17)12-15-8-6-5-7-9-15/h5-11H,4,12H2,1-3H3,(H,21,26)
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Assay Description
BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 20 μL for BD1 and 40 μL for BD2. Inhib...


US Patent US9777003 (2017)


Article DOI: 10.1016/j.jmb.2004.09.032
BindingDB Entry DOI: 10.7270/Q2FQ9ZRR
More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM343670
PNG
(N-(6-Benzyl-1,7-dimethyl-6H-pyrrolo[2,3- e][1,2,4]...)
Show SMILES CC(C)C(=O)Nc1cc2n(Cc3ccccc3)c(C)cc2n2c(C)nnc12
Show InChI InChI=1S/C21H23N5O/c1-13(2)21(27)22-17-11-18-19(26-15(4)23-24-20(17)26)10-14(3)25(18)12-16-8-6-5-7-9-16/h5-11,13H,12H2,1-4H3,(H,22,27)
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Assay Description
BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 20 μL for BD1 and 40 μL for BD2. Inhib...


US Patent US9777003 (2017)


Article DOI: 10.1016/j.jmb.2004.09.032
BindingDB Entry DOI: 10.7270/Q2FQ9ZRR
More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM343672
PNG
(US10442803, Example 272 | US9777003, Example 272)
Show SMILES COC(=O)Nc1cc2n(Cc3ccccc3)c(C)cc2n2c(C)nnc12
Show InChI InChI=1S/C19H19N5O2/c1-12-9-17-16(23(12)11-14-7-5-4-6-8-14)10-15(20-19(25)26-3)18-22-21-13(2)24(17)18/h4-10H,11H2,1-3H3,(H,20,25)
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Incyte Corporation

US Patent


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


US Patent US9777003 (2017)


Article DOI: 10.1016/j.jmb.2004.09.032
BindingDB Entry DOI: 10.7270/Q2FQ9ZRR
More data for this
Ligand-Target Pair
BRD4 - BD2


(Homo sapiens (Human))
BDBM343416
PNG
(US10442803, Example 15 | US9777003, Example 15)
Show SMILES Cc1cc2c(ccc3nnc(C)n23)n1Cc1cccc(F)c1
Show InChI InChI=1S/C17H15FN4/c1-11-8-16-15(6-7-17-20-19-12(2)22(16)17)21(11)10-13-4-3-5-14(18)9-13/h3-9H,10H2,1-2H3
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)


Article DOI: 10.1016/j.jmb.2004.09.032
BindingDB Entry DOI: 10.7270/Q2FQ9ZRR
More data for this
Ligand-Target Pair
BRD4 - BD2


(Homo sapiens (Human))
BDBM343422
PNG
(US10442803, Example 21 | US9777003, Example 21)
Show SMILES Cc1cc2c(ccc3nnc(C)n23)n1Cc1ccc2ccccc2n1
Show InChI InChI=1S/C20H17N5/c1-13-11-19-18(9-10-20-23-22-14(2)25(19)20)24(13)12-16-8-7-15-5-3-4-6-17(15)21-16/h3-11H,12H2,1-2H3
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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)


Article DOI: 10.1016/j.jmb.2004.09.032
BindingDB Entry DOI: 10.7270/Q2FQ9ZRR
More data for this
Ligand-Target Pair
BRD4 - BD2


(Homo sapiens (Human))
BDBM343427
PNG
(US10442803, Example 26 | US9777003, Example 26)
Show SMILES Cc1cc2c(ccc3nnc(C)n23)n1Cc1cccc(CO)c1
Show InChI InChI=1S/C18H18N4O/c1-12-8-17-16(6-7-18-20-19-13(2)22(17)18)21(12)10-14-4-3-5-15(9-14)11-23/h3-9,23H,10-11H2,1-2H3
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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)


Article DOI: 10.1016/j.jmb.2004.09.032
BindingDB Entry DOI: 10.7270/Q2FQ9ZRR
More data for this
Ligand-Target Pair
BRD4 - BD2


(Homo sapiens (Human))
BDBM343431
PNG
(US10442803, Example 30 | US9777003, Example 30)
Show SMILES Cc1cc2c(ccc3nnc(C)n23)n1Cc1cccc(c1)C(N)=O
Show InChI InChI=1S/C18H17N5O/c1-11-8-16-15(6-7-17-21-20-12(2)23(16)17)22(11)10-13-4-3-5-14(9-13)18(19)24/h3-9H,10H2,1-2H3,(H2,19,24)
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US Patent


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


US Patent US9777003 (2017)


Article DOI: 10.1016/j.jmb.2004.09.032
BindingDB Entry DOI: 10.7270/Q2FQ9ZRR
More data for this
Ligand-Target Pair
BRD4 - BD2


(Homo sapiens (Human))
BDBM343439
PNG
(US10442803, Example 38 | US9777003, Example 38)
Show SMILES Cc1cc2c(ccc3nnc(C)n23)n1Cc1cccc(CN2CCOCC2)c1
Show InChI InChI=1S/C22H25N5O/c1-16-12-21-20(6-7-22-24-23-17(2)27(21)22)26(16)15-19-5-3-4-18(13-19)14-25-8-10-28-11-9-25/h3-7,12-13H,8-11,14-15H2,1-2H3
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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)


Article DOI: 10.1016/j.jmb.2004.09.032
BindingDB Entry DOI: 10.7270/Q2FQ9ZRR
More data for this
Ligand-Target Pair
BRD4 - BD2


(Homo sapiens (Human))
BDBM343444
PNG
(US10442803, Example 43 | US9777003, Example 43)
Show SMILES CCNC(=O)Nc1cccc(Cn2c(C)cc3c2ccc2nnc(C)n32)c1
Show InChI InChI=1S/C20H22N6O/c1-4-21-20(27)22-16-7-5-6-15(11-16)12-25-13(2)10-18-17(25)8-9-19-24-23-14(3)26(18)19/h5-11H,4,12H2,1-3H3,(H2,21,22,27)
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US Patent


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


US Patent US9777003 (2017)


Article DOI: 10.1016/j.jmb.2004.09.032
BindingDB Entry DOI: 10.7270/Q2FQ9ZRR
More data for this
Ligand-Target Pair
BRD4 - BD2


(Homo sapiens (Human))
BDBM343450
PNG
(US10442803, Example 49 | US9777003, Example 49)
Show SMILES Cc1cc2c(ccc3nnc(C)n23)n1Cc1ccc(CO)cc1
Show InChI InChI=1S/C18H18N4O/c1-12-9-17-16(7-8-18-20-19-13(2)22(17)18)21(12)10-14-3-5-15(11-23)6-4-14/h3-9,23H,10-11H2,1-2H3
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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)


Article DOI: 10.1016/j.jmb.2004.09.032
BindingDB Entry DOI: 10.7270/Q2FQ9ZRR
More data for this
Ligand-Target Pair
BRD4 - BD2


(Homo sapiens (Human))
BDBM343467
PNG
(US10442803, Example 66 | US9777003, Example 66)
Show SMILES Cc1nnc2ccc3n(Cc4ccccc4)c(cc3n12)-c1cscn1
Show InChI InChI=1S/C19H15N5S/c1-13-21-22-19-8-7-16-18(24(13)19)9-17(15-11-25-12-20-15)23(16)10-14-5-3-2-4-6-14/h2-9,11-12H,10H2,1H3
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US Patent


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


US Patent US9777003 (2017)


Article DOI: 10.1016/j.jmb.2004.09.032
BindingDB Entry DOI: 10.7270/Q2FQ9ZRR
More data for this
Ligand-Target Pair
BRD4 - BD2


(Homo sapiens (Human))
BDBM343486
PNG
(US10442803, Example 85 | US9777003, Example 85)
Show SMILES Cc1nnc2ccc3n(Cc4ccccc4)c(cc3n12)C(=O)NC1CCC1
Show InChI InChI=1S/C21H21N5O/c1-14-23-24-20-11-10-17-18(26(14)20)12-19(21(27)22-16-8-5-9-16)25(17)13-15-6-3-2-4-7-15/h2-4,6-7,10-12,16H,5,8-9,13H2,1H3,(H,22,27)
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US Patent


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


US Patent US9777003 (2017)


Article DOI: 10.1016/j.jmb.2004.09.032
BindingDB Entry DOI: 10.7270/Q2FQ9ZRR
More data for this
Ligand-Target Pair
BRD4 - BD2


(Homo sapiens (Human))
BDBM343489
PNG
(US10442803, Example 88 | US9777003, Example 88)
Show SMILES CC(Cn1ccc(n1)-c1cc2c(ccc3nnc(C)n23)n1Cc1ccccc1)C#N
Show InChI InChI=1/C23H21N7/c1-16(13-24)14-28-11-10-19(27-28)21-12-22-20(8-9-23-26-25-17(2)30(22)23)29(21)15-18-6-4-3-5-7-18/h3-12,16H,14-15H2,1-2H3
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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)


Article DOI: 10.1016/j.jmb.2004.09.032
BindingDB Entry DOI: 10.7270/Q2FQ9ZRR
More data for this
Ligand-Target Pair
BRD4 - BD2


(Homo sapiens (Human))
BDBM343504
PNG
(US9777003, Example 103)
Show SMILES CN(C)C(=O)CCn1ccc(n1)-c1cc2c(ccc3nnc(C)n23)n1Cc1cccc(Cl)c1
Show InChI InChI=1S/C24H24ClN7O/c1-16-26-27-23-8-7-20-22(32(16)23)14-21(31(20)15-17-5-4-6-18(25)13-17)19-9-11-30(28-19)12-10-24(33)29(2)3/h4-9,11,13-14H,10,12,15H2,1-3H3
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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)


Article DOI: 10.1016/j.jmb.2004.09.032
BindingDB Entry DOI: 10.7270/Q2FQ9ZRR
More data for this
Ligand-Target Pair
BRD4 - BD2


(Homo sapiens (Human))
BDBM343507
PNG
(US10442803, Example 106 | US9777003, Example 106)
Show SMILES CC(=O)N1CC(CC#N)(C1)n1ccc(n1)-c1cc2c(ccc3nnc(C)n23)n1Cc1cccc(Cl)c1
Show InChI InChI=1S/C26H23ClN8O/c1-17-29-30-25-7-6-22-24(35(17)25)13-23(33(22)14-19-4-3-5-20(27)12-19)21-8-11-34(31-21)26(9-10-28)15-32(16-26)18(2)36/h3-8,11-13H,9,14-16H2,1-2H3
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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)


Article DOI: 10.1016/j.jmb.2004.09.032
BindingDB Entry DOI: 10.7270/Q2FQ9ZRR
More data for this
Ligand-Target Pair
BRD4 - BD2


(Homo sapiens (Human))
BDBM343514
PNG
(US10442803, Example 113 | US9777003, Example 113)
Show SMILES CCNC(=O)c1cc2c(ccc3nnc(C)n23)n1Cc1cccc(Cl)c1
Show InChI InChI=1S/C19H18ClN5O/c1-3-21-19(26)17-10-16-15(7-8-18-23-22-12(2)25(16)18)24(17)11-13-5-4-6-14(20)9-13/h4-10H,3,11H2,1-2H3,(H,21,26)
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US Patent


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


US Patent US9777003 (2017)


Article DOI: 10.1016/j.jmb.2004.09.032
BindingDB Entry DOI: 10.7270/Q2FQ9ZRR
More data for this
Ligand-Target Pair
BRD4 - BD2


(Homo sapiens (Human))
BDBM343536
PNG
(US10442803, Example 135 | US9777003, Example 135)
Show SMILES CNC(=O)c1cc2c(ccc3nnc(C)n23)n1Cc1cc(Cl)cc(CN2CC(C)(C)C2)c1
Show InChI InChI=1S/C24H27ClN6O/c1-15-27-28-22-6-5-19-20(31(15)22)10-21(23(32)26-4)30(19)12-17-7-16(8-18(25)9-17)11-29-13-24(2,3)14-29/h5-10H,11-14H2,1-4H3,(H,26,32)
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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)


Article DOI: 10.1016/j.jmb.2004.09.032
BindingDB Entry DOI: 10.7270/Q2FQ9ZRR
More data for this
Ligand-Target Pair
BRD4 - BD2


(Homo sapiens (Human))
BDBM343545
PNG
(US10442803, Example 144 | US9777003, Example 144)
Show SMILES CN1CCCC(C1)Nc1cc2n(Cc3ccccc3)c(C)cc2n2c(C)nnc12
Show InChI InChI=1/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)


Article DOI: 10.1016/j.jmb.2004.09.032
BindingDB Entry DOI: 10.7270/Q2FQ9ZRR
More data for this
Ligand-Target Pair
BRD4 - BD2


(Homo sapiens (Human))
BDBM343554
PNG
(US10442803, Example 153 | 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)


Article DOI: 10.1016/j.jmb.2004.09.032
BindingDB Entry DOI: 10.7270/Q2FQ9ZRR
More data for this
Ligand-Target Pair
BRD4 - BD2


(Homo sapiens (Human))
BDBM343555
PNG
(US10442803, Example 154 | US9777003, Example 154)
Show SMILES CN1CCC(CC1)Nc1cc2n(Cc3cccnc3)c(C)cc2n2c(C)nnc12
Show InChI InChI=1S/C22H27N7/c1-15-11-21-20(28(15)14-17-5-4-8-23-13-17)12-19(22-26-25-16(2)29(21)22)24-18-6-9-27(3)10-7-18/h4-5,8,11-13,18,24H,6-7,9-10,14H2,1-3H3
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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)


Article DOI: 10.1016/j.jmb.2004.09.032
BindingDB Entry DOI: 10.7270/Q2FQ9ZRR
More data for this
Ligand-Target Pair
BRD4 - BD2


(Homo sapiens (Human))
BDBM343608
PNG
(US10442803, Example 207 | US9777003, Example 207 |...)
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
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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)


Article DOI: 10.1016/j.jmb.2004.09.032
BindingDB Entry DOI: 10.7270/Q2FQ9ZRR
More data for this
Ligand-Target Pair
BRD4 - BD2


(Homo sapiens (Human))
BDBM343647
PNG
(N1-(6-Benzyl-1,7-dimethyl-6H- pyrrolo[2,3-e][1,2,4...)
Show SMILES CN(C)CCNc1cc2n(Cc3ccccc3)c(C)cc2n2c(C)nnc12
Show InChI InChI=1S/C21H26N6/c1-15-12-20-19(26(15)14-17-8-6-5-7-9-17)13-18(22-10-11-25(3)4)21-24-23-16(2)27(20)21/h5-9,12-13,22H,10-11,14H2,1-4H3
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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)


Article DOI: 10.1016/j.jmb.2004.09.032
BindingDB Entry DOI: 10.7270/Q2FQ9ZRR
More data for this
Ligand-Target Pair
BRD4 - BD2


(Homo sapiens (Human))
BDBM343653
PNG
(1-(6-Benzyl-1,7-dimethyl-6H-pyrrolo[2,3- e][1,24]t...)
Show SMILES Cc1cc2c(cc(NC(N)=O)c3nnc(C)n23)n1Cc1ccccc1
Show InChI InChI=1S/C18H18N6O/c1-11-8-16-15(23(11)10-13-6-4-3-5-7-13)9-14(20-18(19)25)17-22-21-12(2)24(16)17/h3-9H,10H2,1-2H3,(H3,19,20,25)
PDB

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US Patent


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


US Patent US9777003 (2017)


Article DOI: 10.1016/j.jmb.2004.09.032
BindingDB Entry DOI: 10.7270/Q2FQ9ZRR
More data for this
Ligand-Target Pair
BRD4 - BD2


(Homo sapiens (Human))
BDBM343659
PNG
(N1-(6-benzyl-1,7-dimethyl-6H-pyrrolo[2,3- e][1,2,4...)
Show SMILES Cc1cc2c(cc(NCCN)c3nnc(C)n23)n1Cc1ccccc1
Show InChI InChI=1S/C19H22N6/c1-13-10-18-17(24(13)12-15-6-4-3-5-7-15)11-16(21-9-8-20)19-23-22-14(2)25(18)19/h3-7,10-11,21H,8-9,12,20H2,1-2H3
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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)


Article DOI: 10.1016/j.jmb.2004.09.032
BindingDB Entry DOI: 10.7270/Q2FQ9ZRR
More data for this
Ligand-Target Pair
BRD4 - BD2


(Homo sapiens (Human))
BDBM343661
PNG
(6-Benzyl-1,7-dimethyl-N-phenyl-6H- pyrrolo[2,3-e][...)
Show SMILES Cc1cc2c(cc(Nc3ccccc3)c3nnc(C)n23)n1Cc1ccccc1
Show InChI InChI=1S/C23H21N5/c1-16-13-22-21(27(16)15-18-9-5-3-6-10-18)14-20(23-26-25-17(2)28(22)23)24-19-11-7-4-8-12-19/h3-14,24H,15H2,1-2H3
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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)


Article DOI: 10.1016/j.jmb.2004.09.032
BindingDB Entry DOI: 10.7270/Q2FQ9ZRR
More data for this
Ligand-Target Pair
BRD4 - BD2


(Homo sapiens (Human))
BDBM343667
PNG
(N-(6-Benzyl-1,7-dimethyl-6H-pyrrolo[2,3- e][1,2,4]...)
Show SMILES CCCC(=O)Nc1cc2n(Cc3ccccc3)c(C)cc2n2c(C)nnc12
Show InChI InChI=1S/C21H23N5O/c1-4-8-20(27)22-17-12-18-19(26-15(3)23-24-21(17)26)11-14(2)25(18)13-16-9-6-5-7-10-16/h5-7,9-12H,4,8,13H2,1-3H3,(H,22,27)
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Assay Description
BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 20 μL for BD1 and 40 μL for BD2. Inhib...


US Patent US9777003 (2017)


Article DOI: 10.1016/j.jmb.2004.09.032
BindingDB Entry DOI: 10.7270/Q2FQ9ZRR
More data for this
Ligand-Target Pair
BRD4 - BD2


(Homo sapiens (Human))
BDBM343670
PNG
(N-(6-Benzyl-1,7-dimethyl-6H-pyrrolo[2,3- e][1,2,4]...)
Show SMILES CC(C)C(=O)Nc1cc2n(Cc3ccccc3)c(C)cc2n2c(C)nnc12
Show InChI InChI=1S/C21H23N5O/c1-13(2)21(27)22-17-11-18-19(26-15(4)23-24-20(17)26)10-14(3)25(18)12-16-8-6-5-7-9-16/h5-11,13H,12H2,1-4H3,(H,22,27)
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Incyte Corporation

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


US Patent US9777003 (2017)


Article DOI: 10.1016/j.jmb.2004.09.032
BindingDB Entry DOI: 10.7270/Q2FQ9ZRR
More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM343418
PNG
(US10442803, Example 17 | US9777003, Example 17)
Show SMILES Cc1cc2c(ccc3nnc(C)n23)n1Cc1ccccc1C
Show InChI InChI=1S/C18H18N4/c1-12-6-4-5-7-15(12)11-21-13(2)10-17-16(21)8-9-18-20-19-14(3)22(17)18/h4-10H,11H2,1-3H3
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Incyte Corporation

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


US Patent US9777003 (2017)


Article DOI: 10.1016/j.jmb.2004.09.032
BindingDB Entry DOI: 10.7270/Q2FQ9ZRR
More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM343424
PNG
(US10442803, Example 23 | 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
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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)


Article DOI: 10.1016/j.jmb.2004.09.032
BindingDB Entry DOI: 10.7270/Q2FQ9ZRR
More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM343459
PNG
(US10442803, Example 58 | 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)
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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)


Article DOI: 10.1016/j.jmb.2004.09.032
BindingDB Entry DOI: 10.7270/Q2FQ9ZRR
More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM343460
PNG
(US10442803, Example 59 | 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)
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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)


Article DOI: 10.1016/j.jmb.2004.09.032
BindingDB Entry DOI: 10.7270/Q2FQ9ZRR
More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM343496
PNG
(US10442803, Example 95 | US9777003, Example 95)
Show SMILES CN(C)C(=O)CCn1ccc(n1)-c1cc2c(ccc3nnc(C)n23)n1Cc1ccccc1
Show InChI InChI=1S/C24H25N7O/c1-17-25-26-23-10-9-20-22(31(17)23)15-21(30(20)16-18-7-5-4-6-8-18)19-11-13-29(27-19)14-12-24(32)28(2)3/h4-11,13,15H,12,14,16H2,1-3H3
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Incyte Corporation

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


US Patent US9777003 (2017)


Article DOI: 10.1016/j.jmb.2004.09.032
BindingDB Entry DOI: 10.7270/Q2FQ9ZRR
More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM343506
PNG
(US10442803, Example 105 | US9777003, Example 105)
Show SMILES CN1CCN(CC1)C(=O)CCn1ccc(n1)-c1cc2c(ccc3nnc(C)n23)n1Cc1cccc(Cl)c1
Show InChI InChI=1S/C27H29ClN8O/c1-19-29-30-26-7-6-23-25(36(19)26)17-24(35(23)18-20-4-3-5-21(28)16-20)22-8-10-34(31-22)11-9-27(37)33-14-12-32(2)13-15-33/h3-8,10,16-17H,9,11-15,18H2,1-2H3
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Assay Description
BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 20 μL for BD1 and 40 μL for BD2. Inhib...


US Patent US9777003 (2017)


Article DOI: 10.1016/j.jmb.2004.09.032
BindingDB Entry DOI: 10.7270/Q2FQ9ZRR
More data for this
Ligand-Target Pair
BRD4 - BD1


(Homo sapiens (Human))
BDBM343553
PNG
(US10442803, Example 152 | US9777003, Example 152)
Show SMILES Cc1cc2c(cc(N[C@H]3CCNC3)c3nnc(C)n23)n1Cc1ccccc1
Show InChI InChI=1/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-/s2
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Incyte Corporation

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


US Patent US9777003 (2017)


Article DOI: 10.1016/j.jmb.2004.09.032
BindingDB Entry DOI: 10.7270/Q2FQ9ZRR
More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%