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Compile Data Set for Download or QSAR

Found 866 hits Enz. Inhib. hit(s) with Target = 'BRD4 BD1 (aa 42-168)'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
BRD4 BD1 (aa 42-168)


(Homo sapiens (Human))
BDBM209487
PNG
(US10328074, Example III-28 | US9266891, III-28)
Show SMILES CC(C)Nc1nc(cn2c(C)nnc12)-c1nc2cnc(cc2n1Cc1ccc(F)cn1)N1CCOCC1
Show InChI InChI=1S/C25H27FN10O/c1-15(2)29-23-25-33-32-16(3)35(25)14-20(30-23)24-31-19-12-28-22(34-6-8-37-9-7-34)10-21(19)36(24)13-18-5-4-17(26)11-27-18/h4-5,10-12,14-15H,6-9,13H2,1-3H3,(H,29,30)
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n/an/a 1n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This assay is used to determine whether the compounds inhibit the interaction between the first (BRD4-BD1) or the second (BRD4-BD2) bromodomain of BR...


US Patent US10328074 (2019)


BindingDB Entry DOI: 10.7270/Q20Z75M2
More data for this
Ligand-Target Pair
BRD4 BD1 (aa 42-168)


(Homo sapiens (Human))
BDBM209481
PNG
(US10328074, Example III-22 | US9266891, III-22)
Show SMILES CNc1nc(cn2c(C)nnc12)-c1nc2cnc(cc2n1Cc1ccccn1)N1CCOCC1
Show InChI InChI=1S/C23H24N10O/c1-15-29-30-23-21(24-2)27-18(14-32(15)23)22-28-17-12-26-20(31-7-9-34-10-8-31)11-19(17)33(22)13-16-5-3-4-6-25-16/h3-6,11-12,14H,7-10,13H2,1-2H3,(H,24,27)
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n/an/a 3n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This assay is used to determine whether the compounds inhibit the interaction between the first (BRD4-BD1) or the second (BRD4-BD2) bromodomain of BR...


US Patent US10328074 (2019)


BindingDB Entry DOI: 10.7270/Q20Z75M2
More data for this
Ligand-Target Pair
BRD4 BD1 (aa 42-168)


(Homo sapiens (Human))
BDBM209482
PNG
(US10328074, Example III-23 | US9266891, III-23)
Show SMILES CNc1nc(cn2c(C)nnc12)-c1nc2ccc(cc2n1Cc1ccccn1)N1CCOCC1
Show InChI InChI=1S/C24H25N9O/c1-16-29-30-24-22(25-2)27-20(15-32(16)24)23-28-19-7-6-18(31-9-11-34-12-10-31)13-21(19)33(23)14-17-5-3-4-8-26-17/h3-8,13,15H,9-12,14H2,1-2H3,(H,25,27)
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n/an/a 3n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This assay is used to determine whether the compounds inhibit the interaction between the first (BRD4-BD1) or the second (BRD4-BD2) bromodomain of BR...


US Patent US10328074 (2019)


BindingDB Entry DOI: 10.7270/Q20Z75M2
More data for this
Ligand-Target Pair
BRD4 BD1 (aa 42-168)


(Homo sapiens (Human))
BDBM209474
PNG
(US10328074, Example III-15 | US9266891, III-15)
Show SMILES COCCN1CCC(CC1)Nc1nc(cn2c(C)nnc12)-c1nc2cc(ccc2n1Cc1ccccc1)C1=NNC(=O)CC1C
Show InChI InChI=1S/C33H38N10O2/c1-21-17-29(44)38-39-30(21)24-9-10-28-26(18-24)36-32(43(28)19-23-7-5-4-6-8-23)27-20-42-22(2)37-40-33(42)31(35-27)34-25-11-13-41(14-12-25)15-16-45-3/h4-10,18,20-21,25H,11-17,19H2,1-3H3,(H,34,35)(H,38,44)
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n/an/a 3n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This assay is used to determine whether the compounds inhibit the interaction between the first (BRD4-BD1) or the second (BRD4-BD2) bromodomain of BR...


US Patent US10328074 (2019)


BindingDB Entry DOI: 10.7270/Q20Z75M2
More data for this
Ligand-Target Pair
BRD4 BD1 (aa 42-168)


(Homo sapiens (Human))
BDBM209508
PNG
(US10328074, Example III-49 | US9266891, III-49)
Show SMILES CNc1nc(cn2c(C)nnc12)-c1nc2cnc(cc2n1Cc1cccnc1)N1CCOCC1
Show InChI InChI=1S/C23H24N10O/c1-15-29-30-23-21(24-2)27-18(14-32(15)23)22-28-17-12-26-20(31-6-8-34-9-7-31)10-19(17)33(22)13-16-4-3-5-25-11-16/h3-5,10-12,14H,6-9,13H2,1-2H3,(H,24,27)
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n/an/a 4n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This assay is used to determine whether the compounds inhibit the interaction between the first (BRD4-BD1) or the second (BRD4-BD2) bromodomain of BR...


US Patent US10328074 (2019)


BindingDB Entry DOI: 10.7270/Q20Z75M2
More data for this
Ligand-Target Pair
BRD4 BD1 (aa 42-168)


(Homo sapiens (Human))
BDBM209457
PNG
(US10328074, Example II-1 | US9266891, II-1)
Show SMILES CNc1nc(cn2c(C)nnc12)-c1nc(c(C)n1Cc1ccccc1)-c1ccccc1
Show InChI InChI=1S/C24H23N7/c1-16-21(19-12-8-5-9-13-19)27-23(30(16)14-18-10-6-4-7-11-18)20-15-31-17(2)28-29-24(31)22(25-3)26-20/h4-13,15H,14H2,1-3H3,(H,25,26)
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n/an/a 4n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This assay is used to determine whether the compounds inhibit the interaction between the first (BRD4-BD1) or the second (BRD4-BD2) bromodomain of BR...


US Patent US10328074 (2019)


BindingDB Entry DOI: 10.7270/Q20Z75M2
More data for this
Ligand-Target Pair
BRD4 BD1 (aa 42-168)


(Homo sapiens (Human))
BDBM209509
PNG
(US10328074, Example III-50 | US9266891, III-50)
Show SMILES CNc1nc(cn2c(C)nnc12)-c1nc2ccc(cc2n1Cc1cccnc1)N1CCOCC1
Show InChI InChI=1S/C24H25N9O/c1-16-29-30-24-22(25-2)27-20(15-32(16)24)23-28-19-6-5-18(31-8-10-34-11-9-31)12-21(19)33(23)14-17-4-3-7-26-13-17/h3-7,12-13,15H,8-11,14H2,1-2H3,(H,25,27)
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n/an/a 5n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This assay is used to determine whether the compounds inhibit the interaction between the first (BRD4-BD1) or the second (BRD4-BD2) bromodomain of BR...


US Patent US10328074 (2019)


BindingDB Entry DOI: 10.7270/Q20Z75M2
More data for this
Ligand-Target Pair
BRD4 BD1 (aa 42-168)


(Homo sapiens (Human))
BDBM209475
PNG
(US10328074, Example III-16 | US9266891, III-16)
Show SMILES CNc1nc(cn2c(C)nnc12)-c1nc2cc(ccc2n1Cc1ccccc1)C1=NNC(=O)CC1C
Show InChI InChI=1S/C26H25N9O/c1-15-11-22(36)31-32-23(15)18-9-10-21-19(12-18)29-25(35(21)13-17-7-5-4-6-8-17)20-14-34-16(2)30-33-26(34)24(27-3)28-20/h4-10,12,14-15H,11,13H2,1-3H3,(H,27,28)(H,31,36)
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n/an/a 5n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This assay is used to determine whether the compounds inhibit the interaction between the first (BRD4-BD1) or the second (BRD4-BD2) bromodomain of BR...


US Patent US10328074 (2019)


BindingDB Entry DOI: 10.7270/Q20Z75M2
More data for this
Ligand-Target Pair
BRD4 BD1 (aa 42-168)


(Homo sapiens (Human))
BDBM209485
PNG
(US10328074, Example III-26 | US9266891, III-26)
Show SMILES CC(C)Nc1nc(cn2c(C)nnc12)-c1nc2ccc(cc2n1Cc1ccccn1)N1CCOCC1
Show InChI InChI=1S/C26H29N9O/c1-17(2)28-24-26-32-31-18(3)34(26)16-22(29-24)25-30-21-8-7-20(33-10-12-36-13-11-33)14-23(21)35(25)15-19-6-4-5-9-27-19/h4-9,14,16-17H,10-13,15H2,1-3H3,(H,28,29)
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n/an/a 5n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This assay is used to determine whether the compounds inhibit the interaction between the first (BRD4-BD1) or the second (BRD4-BD2) bromodomain of BR...


US Patent US10328074 (2019)


BindingDB Entry DOI: 10.7270/Q20Z75M2
More data for this
Ligand-Target Pair
BRD4 BD1 (aa 42-168)


(Homo sapiens (Human))
BDBM209491
PNG
(US10328074, Example III-32 | US9266891, III-32)
Show SMILES CC(C)Nc1nc(cn2c(C)nnc12)-c1nc2ccc(cc2n1Cc1ccccn1)N(C)C
Show InChI InChI=1S/C24H27N9/c1-15(2)26-22-24-30-29-16(3)32(24)14-20(27-22)23-28-19-10-9-18(31(4)5)12-21(19)33(23)13-17-8-6-7-11-25-17/h6-12,14-15H,13H2,1-5H3,(H,26,27)
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n/an/a 7n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This assay is used to determine whether the compounds inhibit the interaction between the first (BRD4-BD1) or the second (BRD4-BD2) bromodomain of BR...


US Patent US10328074 (2019)


BindingDB Entry DOI: 10.7270/Q20Z75M2
More data for this
Ligand-Target Pair
BRD4 BD1 (aa 42-168)


(Homo sapiens (Human))
BDBM209471
PNG
(US10328074, Example III-12 | US9266891, III-12)
Show SMILES COCCN1CCC(CC1)Nc1nc(cn2c(C)nnc12)-c1nc2ccc(cc2n1Cc1ccccc1)N1CCOCC1
Show InChI InChI=1S/C32H39N9O2/c1-23-36-37-32-30(33-25-10-12-38(13-11-25)14-17-42-2)34-28(22-40(23)32)31-35-27-9-8-26(39-15-18-43-19-16-39)20-29(27)41(31)21-24-6-4-3-5-7-24/h3-9,20,22,25H,10-19,21H2,1-2H3,(H,33,34)
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n/an/a 7n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This assay is used to determine whether the compounds inhibit the interaction between the first (BRD4-BD1) or the second (BRD4-BD2) bromodomain of BR...


US Patent US10328074 (2019)


BindingDB Entry DOI: 10.7270/Q20Z75M2
More data for this
Ligand-Target Pair
BRD4 BD1 (aa 42-168)


(Homo sapiens (Human))
BDBM209460
PNG
(US10328074, Example III-1 | US9266891, III-1)
Show SMILES CN1CCC(CC1)Nc1nc(cn2c(C)nnc12)-c1nc2ccccc2n1Cc1ccccc1
Show InChI InChI=1S/C26H28N8/c1-18-30-31-26-24(27-20-12-14-32(2)15-13-20)28-22(17-33(18)26)25-29-21-10-6-7-11-23(21)34(25)16-19-8-4-3-5-9-19/h3-11,17,20H,12-16H2,1-2H3,(H,27,28)
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n/an/a 7n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This assay is used to determine whether the compounds inhibit the interaction between the first (BRD4-BD1) or the second (BRD4-BD2) bromodomain of BR...


US Patent US10328074 (2019)


BindingDB Entry DOI: 10.7270/Q20Z75M2
More data for this
Ligand-Target Pair
BRD4 BD1 (aa 42-168)


(Homo sapiens (Human))
BDBM209463
PNG
(US10328074, Example III-4 | US9266891, III-4)
Show SMILES COCCN1CCC(CC1)Nc1nc(cn2c(C)nnc12)-c1nc2ccccc2n1Cc1ccccc1
Show InChI InChI=1S/C28H32N8O/c1-20-32-33-28-26(29-22-12-14-34(15-13-22)16-17-37-2)30-24(19-35(20)28)27-31-23-10-6-7-11-25(23)36(27)18-21-8-4-3-5-9-21/h3-11,19,22H,12-18H2,1-2H3,(H,29,30)
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n/an/a 8n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This assay is used to determine whether the compounds inhibit the interaction between the first (BRD4-BD1) or the second (BRD4-BD2) bromodomain of BR...


US Patent US10328074 (2019)


BindingDB Entry DOI: 10.7270/Q20Z75M2
More data for this
Ligand-Target Pair
BRD4 BD1 (aa 42-168)


(Homo sapiens (Human))
BDBM209453
PNG
(US10328074, Example I-5 | US9266891, I-5)
Show SMILES CNc1nc(cn2c(C)nnc12)-c1nn(C)c(C)c1Oc1ccccc1
Show InChI InChI=1S/C18H19N7O/c1-11-16(26-13-8-6-5-7-9-13)15(23-24(11)4)14-10-25-12(2)21-22-18(25)17(19-3)20-14/h5-10H,1-4H3,(H,19,20)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
This assay is used to determine whether the compounds inhibit the interaction between the first (BRD4-BD1) or the second (BRD4-BD2) bromodomain of BR...


US Patent US10328074 (2019)


BindingDB Entry DOI: 10.7270/Q20Z75M2
More data for this
Ligand-Target Pair
BRD4 BD1 (aa 42-168)


(Homo sapiens (Human))
BDBM209507
PNG
(US10328074, Example III-48 | US9266891, III-48)
Show SMILES CNc1nc(cn2c(C)nnc12)-c1nc2ccc(cc2n1Cc1cccnc1)N1CCN(C)CC1
Show InChI InChI=1S/C25H28N10/c1-17-30-31-25-23(26-2)28-21(16-34(17)25)24-29-20-7-6-19(33-11-9-32(3)10-12-33)13-22(20)35(24)15-18-5-4-8-27-14-18/h4-8,13-14,16H,9-12,15H2,1-3H3,(H,26,28)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
This assay is used to determine whether the compounds inhibit the interaction between the first (BRD4-BD1) or the second (BRD4-BD2) bromodomain of BR...


US Patent US10328074 (2019)


BindingDB Entry DOI: 10.7270/Q20Z75M2
More data for this
Ligand-Target Pair
BRD4 BD1 (aa 42-168)


(Homo sapiens (Human))
BDBM209480
PNG
(US10328074, Example III-21 | US9266891, III-21)
Show SMILES CNc1nc(cn2c(C)nnc12)-c1nc2ccc(cc2n1Cc1ccccn1)N1CCN(C)CC1
Show InChI InChI=1S/C25H28N10/c1-17-30-31-25-23(26-2)28-21(16-34(17)25)24-29-20-8-7-19(33-12-10-32(3)11-13-33)14-22(20)35(24)15-18-6-4-5-9-27-18/h4-9,14,16H,10-13,15H2,1-3H3,(H,26,28)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
This assay is used to determine whether the compounds inhibit the interaction between the first (BRD4-BD1) or the second (BRD4-BD2) bromodomain of BR...


US Patent US10328074 (2019)


BindingDB Entry DOI: 10.7270/Q20Z75M2
More data for this
Ligand-Target Pair
BRD4 BD1 (aa 42-168)


(Homo sapiens (Human))
BDBM209488
PNG
(US10328074, Example III-29 | US9266891, III-29)
Show SMILES CC(C)Nc1nc(cn2c(C)nnc12)-c1nc2cnc(cc2n1Cc1ccccn1)N1CCOC[C@H]1C
Show InChI InChI=1S/C26H30N10O/c1-16(2)29-24-26-33-32-18(4)35(26)14-21(30-24)25-31-20-12-28-23(34-9-10-37-15-17(34)3)11-22(20)36(25)13-19-7-5-6-8-27-19/h5-8,11-12,14,16-17H,9-10,13,15H2,1-4H3,(H,29,30)/t17-/m1/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
This assay is used to determine whether the compounds inhibit the interaction between the first (BRD4-BD1) or the second (BRD4-BD2) bromodomain of BR...


US Patent US10328074 (2019)


BindingDB Entry DOI: 10.7270/Q20Z75M2
More data for this
Ligand-Target Pair
BRD4 BD1 (aa 42-168)


(Homo sapiens (Human))
BDBM209467
PNG
(US10328074, Example III-8 | US9266891, III-8)
Show SMILES CNc1nc(cn2c(C)nnc12)-c1nc2cnc(cc2n1Cc1ccccc1)N1CCN(C)CC1
Show InChI InChI=1S/C25H28N10/c1-17-30-31-25-23(26-2)28-20(16-34(17)25)24-29-19-14-27-22(33-11-9-32(3)10-12-33)13-21(19)35(24)15-18-7-5-4-6-8-18/h4-8,13-14,16H,9-12,15H2,1-3H3,(H,26,28)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
This assay is used to determine whether the compounds inhibit the interaction between the first (BRD4-BD1) or the second (BRD4-BD2) bromodomain of BR...


US Patent US10328074 (2019)


BindingDB Entry DOI: 10.7270/Q20Z75M2
More data for this
Ligand-Target Pair
BRD4 BD1 (aa 42-168)


(Homo sapiens (Human))
BDBM209465
PNG
(US10328074, Example III-6 | US9266891, III-6)
Show SMILES COCCN1CCC(CC1)Nc1nc(cn2c(C)nnc12)-c1nc2ccccc2n1Cc1ccc(F)c(F)c1
Show InChI InChI=1S/C28H30F2N8O/c1-18-34-35-28-26(31-20-9-11-36(12-10-20)13-14-39-2)32-24(17-37(18)28)27-33-23-5-3-4-6-25(23)38(27)16-19-7-8-21(29)22(30)15-19/h3-8,15,17,20H,9-14,16H2,1-2H3,(H,31,32)
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n/an/a 9n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This assay is used to determine whether the compounds inhibit the interaction between the first (BRD4-BD1) or the second (BRD4-BD2) bromodomain of BR...


US Patent US10328074 (2019)


BindingDB Entry DOI: 10.7270/Q20Z75M2
More data for this
Ligand-Target Pair
BRD4 BD1 (aa 42-168)


(Homo sapiens (Human))
BDBM209489
PNG
(US10328074, Example III-30 | US9266891, III-30)
Show SMILES CC(C)Nc1nc(cn2c(C)nnc12)-c1nc2cnc(cc2n1Cc1ccccn1)N1CCOC[C@@H]1C
Show InChI InChI=1S/C26H30N10O/c1-16(2)29-24-26-33-32-18(4)35(26)14-21(30-24)25-31-20-12-28-23(34-9-10-37-15-17(34)3)11-22(20)36(25)13-19-7-5-6-8-27-19/h5-8,11-12,14,16-17H,9-10,13,15H2,1-4H3,(H,29,30)/t17-/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
This assay is used to determine whether the compounds inhibit the interaction between the first (BRD4-BD1) or the second (BRD4-BD2) bromodomain of BR...


US Patent US10328074 (2019)


BindingDB Entry DOI: 10.7270/Q20Z75M2
More data for this
Ligand-Target Pair
BRD4 BD1 (aa 42-168)


(Homo sapiens (Human))
BDBM209470
PNG
(US10328074, Example III-11 | US9266891, III-11)
Show SMILES CNc1nc(cn2c(C)nnc12)-c1nc2cnc(nc2n1Cc1ccccc1)N1CCN(C)CC1
Show InChI InChI=1S/C24H27N11/c1-16-30-31-23-20(25-2)27-19(15-34(16)23)22-28-18-13-26-24(33-11-9-32(3)10-12-33)29-21(18)35(22)14-17-7-5-4-6-8-17/h4-8,13,15H,9-12,14H2,1-3H3,(H,25,27)
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n/an/a 9n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This assay is used to determine whether the compounds inhibit the interaction between the first (BRD4-BD1) or the second (BRD4-BD2) bromodomain of BR...


US Patent US10328074 (2019)


BindingDB Entry DOI: 10.7270/Q20Z75M2
More data for this
Ligand-Target Pair
BRD4 BD1 (aa 42-168)


(Homo sapiens (Human))
BDBM209464
PNG
(US10328074, Example III-5 | US9266891, III-5)
Show SMILES COCCN1CCC(CC1)Nc1nc(cn2c(C)nnc12)-c1nc2ccccc2n1Cc1ccc(F)cc1
Show InChI InChI=1S/C28H31FN8O/c1-19-33-34-28-26(30-22-11-13-35(14-12-22)15-16-38-2)31-24(18-36(19)28)27-32-23-5-3-4-6-25(23)37(27)17-20-7-9-21(29)10-8-20/h3-10,18,22H,11-17H2,1-2H3,(H,30,31)
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n/an/a 9n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This assay is used to determine whether the compounds inhibit the interaction between the first (BRD4-BD1) or the second (BRD4-BD2) bromodomain of BR...


US Patent US10328074 (2019)


BindingDB Entry DOI: 10.7270/Q20Z75M2
More data for this
Ligand-Target Pair
BRD4 BD1 (aa 42-168)


(Homo sapiens (Human))
BDBM209472
PNG
(US10328074, Example III-13 | US9266891, III-13)
Show SMILES CNc1nc(cn2c(C)nnc12)-c1nc2ccc(cc2n1Cc1ccccc1)N1CCN(C)CC1
Show InChI InChI=1S/C26H29N9/c1-18-30-31-26-24(27-2)28-22(17-34(18)26)25-29-21-10-9-20(33-13-11-32(3)12-14-33)15-23(21)35(25)16-19-7-5-4-6-8-19/h4-10,15,17H,11-14,16H2,1-3H3,(H,27,28)
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n/an/a 9n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This assay is used to determine whether the compounds inhibit the interaction between the first (BRD4-BD1) or the second (BRD4-BD2) bromodomain of BR...


US Patent US10328074 (2019)


BindingDB Entry DOI: 10.7270/Q20Z75M2
More data for this
Ligand-Target Pair
BRD4 BD1 (aa 42-168)


(Homo sapiens (Human))
BDBM209486
PNG
(US10328074, Example III-27 | US9266891, III-27)
Show SMILES CC(C)Nc1nc(cn2c(C)nnc12)-c1nc2cnc(cc2n1Cc1ccccn1)N1CCOCC1
Show InChI InChI=1S/C25H28N10O/c1-16(2)28-23-25-32-31-17(3)34(25)15-20(29-23)24-30-19-13-27-22(33-8-10-36-11-9-33)12-21(19)35(24)14-18-6-4-5-7-26-18/h4-7,12-13,15-16H,8-11,14H2,1-3H3,(H,28,29)
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n/an/a 10n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This assay is used to determine whether the compounds inhibit the interaction between the first (BRD4-BD1) or the second (BRD4-BD2) bromodomain of BR...


US Patent US10328074 (2019)


BindingDB Entry DOI: 10.7270/Q20Z75M2
More data for this
Ligand-Target Pair
BRD4 BD1 (aa 42-168)


(Homo sapiens (Human))
BDBM209473
PNG
(US10328074, Example III-14 | US9266891, III-14)
Show SMILES CNc1nc(cn2c(C)nnc12)-c1nc2ccc(cc2n1Cc1ccccc1)N1CCOCC1
Show InChI InChI=1S/C25H26N8O/c1-17-29-30-25-23(26-2)27-21(16-32(17)25)24-28-20-9-8-19(31-10-12-34-13-11-31)14-22(20)33(24)15-18-6-4-3-5-7-18/h3-9,14,16H,10-13,15H2,1-2H3,(H,26,27)
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n/an/a 10n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This assay is used to determine whether the compounds inhibit the interaction between the first (BRD4-BD1) or the second (BRD4-BD2) bromodomain of BR...


US Patent US10328074 (2019)


BindingDB Entry DOI: 10.7270/Q20Z75M2
More data for this
Ligand-Target Pair
BRD4 BD1 (aa 42-168)


(Homo sapiens (Human))
BDBM209484
PNG
(US10328074, Example III-25 | US9266891, III-25)
Show SMILES CNc1nc(cn2c(C)nnc12)-c1nc2cc(ccc2n1Cc1ccccn1)C1CCOCC1
Show InChI InChI=1S/C25H26N8O/c1-16-30-31-25-23(26-2)28-21(15-32(16)25)24-29-20-13-18(17-8-11-34-12-9-17)6-7-22(20)33(24)14-19-5-3-4-10-27-19/h3-7,10,13,15,17H,8-9,11-12,14H2,1-2H3,(H,26,28)
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n/an/a 11n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This assay is used to determine whether the compounds inhibit the interaction between the first (BRD4-BD1) or the second (BRD4-BD2) bromodomain of BR...


US Patent US10328074 (2019)


BindingDB Entry DOI: 10.7270/Q20Z75M2
More data for this
Ligand-Target Pair
BRD4 BD1 (aa 42-168)


(Homo sapiens (Human))
BDBM400284
PNG
(US10328074, Example III-47)
Show SMILES CNc1nc(cn2c(C)nnc12)-c1nc2cnc(cc2n1[C@@H](C)c1cccnc1)N1CCN(C)CC1
Show InChI InChI=1S/C25H29N11/c1-16(18-6-5-7-27-13-18)36-21-12-22(34-10-8-33(4)9-11-34)28-14-19(21)30-24(36)20-15-35-17(2)31-32-25(35)23(26-3)29-20/h5-7,12-16H,8-11H2,1-4H3,(H,26,29)/t16-/m0/s1
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n/an/a 12n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This assay is used to determine whether the compounds inhibit the interaction between the first (BRD4-BD1) or the second (BRD4-BD2) bromodomain of BR...


US Patent US10328074 (2019)


BindingDB Entry DOI: 10.7270/Q20Z75M2
More data for this
Ligand-Target Pair
BRD4 BD1 (aa 42-168)


(Homo sapiens (Human))
BDBM209512
PNG
(US10328074, Example III-53 | US9266891, III-53)
Show SMILES CNc1nc(cn2c(C)nnc12)-c1nc2cnc(cc2n1Cc1ccncc1)N1CCN(C)CC1
Show InChI InChI=1S/C24H27N11/c1-16-30-31-24-22(25-2)28-19(15-34(16)24)23-29-18-13-27-21(33-10-8-32(3)9-11-33)12-20(18)35(23)14-17-4-6-26-7-5-17/h4-7,12-13,15H,8-11,14H2,1-3H3,(H,25,28)
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n/an/a 12n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This assay is used to determine whether the compounds inhibit the interaction between the first (BRD4-BD1) or the second (BRD4-BD2) bromodomain of BR...


US Patent US10328074 (2019)


BindingDB Entry DOI: 10.7270/Q20Z75M2
More data for this
Ligand-Target Pair
BRD4 BD1 (aa 42-168)


(Homo sapiens (Human))
BDBM209479
PNG
(US10328074, Example III-20 | US9266891, III-20)
Show SMILES CNc1nc(cn2c(C)nnc12)-c1nc2cnc(cc2n1Cc1ccccn1)N1CCN(C)CC1
Show InChI InChI=1S/C24H27N11/c1-16-30-31-24-22(25-2)28-19(15-34(16)24)23-29-18-13-27-21(33-10-8-32(3)9-11-33)12-20(18)35(23)14-17-6-4-5-7-26-17/h4-7,12-13,15H,8-11,14H2,1-3H3,(H,25,28)
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n/an/a 13n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This assay is used to determine whether the compounds inhibit the interaction between the first (BRD4-BD1) or the second (BRD4-BD2) bromodomain of BR...


US Patent US10328074 (2019)


BindingDB Entry DOI: 10.7270/Q20Z75M2
More data for this
Ligand-Target Pair
BRD4 BD1 (aa 42-168)


(Homo sapiens (Human))
BDBM209490
PNG
(US10328074, Example III-31 | US9266891, III-31)
Show SMILES CC(C)Nc1nc(cn2c(C)nnc12)-c1nc2cnc(cc2n1Cc1ccccn1)N(C)C
Show InChI InChI=1S/C23H26N10/c1-14(2)26-21-23-30-29-15(3)32(23)13-18(27-21)22-28-17-11-25-20(31(4)5)10-19(17)33(22)12-16-8-6-7-9-24-16/h6-11,13-14H,12H2,1-5H3,(H,26,27)
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n/an/a 13n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This assay is used to determine whether the compounds inhibit the interaction between the first (BRD4-BD1) or the second (BRD4-BD2) bromodomain of BR...


US Patent US10328074 (2019)


BindingDB Entry DOI: 10.7270/Q20Z75M2
More data for this
Ligand-Target Pair
BRD4 BD1 (aa 42-168)


(Homo sapiens (Human))
BDBM209510
PNG
(US10328074, Example III-51 | US9266891, III-51)
Show SMILES Cc1nnc2c(N[C@@H]3CCOC3)nc(cn12)-c1nc2cnc(cc2n1Cc1cccnc1)N1CCOCC1
Show InChI InChI=1S/C26H28N10O2/c1-17-32-33-26-24(29-19-4-8-38-16-19)30-21(15-35(17)26)25-31-20-13-28-23(34-6-9-37-10-7-34)11-22(20)36(25)14-18-3-2-5-27-12-18/h2-3,5,11-13,15,19H,4,6-10,14,16H2,1H3,(H,29,30)/t19-/m1/s1
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n/an/a 13n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This assay is used to determine whether the compounds inhibit the interaction between the first (BRD4-BD1) or the second (BRD4-BD2) bromodomain of BR...


US Patent US10328074 (2019)


BindingDB Entry DOI: 10.7270/Q20Z75M2
More data for this
Ligand-Target Pair
BRD4 BD1 (aa 42-168)


(Homo sapiens (Human))
BDBM254914
PNG
(US9493483, 402)
Show SMILES CN(C)C(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2cc(ccc2-c2c(C)noc12)-c1cnn(C)c1
Show InChI InChI=1S/C26H24ClN5O2/c1-15-24-20-10-7-17(18-13-28-32(4)14-18)11-21(20)25(16-5-8-19(27)9-6-16)29-22(26(24)34-30-15)12-23(33)31(2)3/h5-11,13-14,22H,12H2,1-4H3/t22-/m0/s1
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n/an/a 13n/an/an/an/a7.025



Constellation Pharmaceuticals, Inc.

US Patent


Assay Description
His/Flag epitope tagged BRD4 BD142-168 was cloned, expressed and purified to homogeneity. BRD4 binding and inhibition was assessed by monitoring the ...


US Patent US9493483 (2016)


BindingDB Entry DOI: 10.7270/Q26D5RXQ
More data for this
Ligand-Target Pair
BRD4 BD1 (aa 42-168)


(Homo sapiens (Human))
BDBM50158612
PNG
(CHEMBL3787075 | US9493483, 401)
Show SMILES Cc1noc2[C@H](CC(N)=O)N=C(c3ccc(Cl)cc3)c3cc(ccc3-c12)-c1cnn(C)c1
Show InChI InChI=1S/C24H20ClN5O2/c1-13-22-18-8-5-15(16-11-27-30(2)12-16)9-19(18)23(14-3-6-17(25)7-4-14)28-20(10-21(26)31)24(22)32-29-13/h3-9,11-12,20H,10H2,1-2H3,(H2,26,31)/t20-/m0/s1
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n/an/a 14n/an/an/an/a7.025



Constellation Pharmaceuticals, Inc.

US Patent


Assay Description
His/Flag epitope tagged BRD4 BD142-168 was cloned, expressed and purified to homogeneity. BRD4 binding and inhibition was assessed by monitoring the ...


US Patent US9493483 (2016)


BindingDB Entry DOI: 10.7270/Q26D5RXQ
More data for this
Ligand-Target Pair
BRD4 BD1 (aa 42-168)


(Homo sapiens (Human))
BDBM209468
PNG
(US10328074, Example III-9 | US9266891, III-9)
Show SMILES CN1CCN(CC1)c1cc2n(Cc3ccccc3)c(nc2cn1)-c1cn2c(C)nnc2c(C)n1
Show InChI InChI=1S/C25H27N9/c1-17-24-30-29-18(2)33(24)16-21(27-17)25-28-20-14-26-23(32-11-9-31(3)10-12-32)13-22(20)34(25)15-19-7-5-4-6-8-19/h4-8,13-14,16H,9-12,15H2,1-3H3
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n/an/a 14n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This assay is used to determine whether the compounds inhibit the interaction between the first (BRD4-BD1) or the second (BRD4-BD2) bromodomain of BR...


US Patent US10328074 (2019)


BindingDB Entry DOI: 10.7270/Q20Z75M2
More data for this
Ligand-Target Pair
BRD4 BD1 (aa 42-168)


(Homo sapiens (Human))
BDBM209496
PNG
(US10328074, Example III-37 | US9266891, III-37)
Show SMILES CC(C)Nc1nc(cn2c(C)nnc12)-c1nc2cnccc2n1Cc1ccccn1
Show InChI InChI=1S/C21H21N9/c1-13(2)24-19-21-28-27-14(3)29(21)12-17(25-19)20-26-16-10-22-9-7-18(16)30(20)11-15-6-4-5-8-23-15/h4-10,12-13H,11H2,1-3H3,(H,24,25)
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n/an/a 14n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This assay is used to determine whether the compounds inhibit the interaction between the first (BRD4-BD1) or the second (BRD4-BD2) bromodomain of BR...


US Patent US10328074 (2019)


BindingDB Entry DOI: 10.7270/Q20Z75M2
More data for this
Ligand-Target Pair
BRD4 BD1 (aa 42-168)


(Homo sapiens (Human))
BDBM209458
PNG
(US10328074, Example II-2 | US9266891, II-2)
Show SMILES CNc1nc(cn2c(C)nnc12)-c1nc(C)c(C)n1Cc1ccccc1
Show InChI InChI=1S/C19H21N7/c1-12-13(2)25(10-15-8-6-5-7-9-15)18(21-12)16-11-26-14(3)23-24-19(26)17(20-4)22-16/h5-9,11H,10H2,1-4H3,(H,20,22)
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n/an/a 15n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This assay is used to determine whether the compounds inhibit the interaction between the first (BRD4-BD1) or the second (BRD4-BD2) bromodomain of BR...


US Patent US10328074 (2019)


BindingDB Entry DOI: 10.7270/Q20Z75M2
More data for this
Ligand-Target Pair
BRD4 BD1 (aa 42-168)


(Homo sapiens (Human))
BDBM209494
PNG
(US10328074, Example III-35 | US9266891, III-35)
Show SMILES CC(C)Nc1nc(cn2c(C)nnc12)-c1nc2ccc(C)cc2n1Cc1ccccn1
Show InChI InChI=1S/C23H24N8/c1-14(2)25-21-23-29-28-16(4)30(23)13-19(26-21)22-27-18-9-8-15(3)11-20(18)31(22)12-17-7-5-6-10-24-17/h5-11,13-14H,12H2,1-4H3,(H,25,26)
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n/an/a 15n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This assay is used to determine whether the compounds inhibit the interaction between the first (BRD4-BD1) or the second (BRD4-BD2) bromodomain of BR...


US Patent US10328074 (2019)


BindingDB Entry DOI: 10.7270/Q20Z75M2
More data for this
Ligand-Target Pair
BRD4 BD1 (aa 42-168)


(Homo sapiens (Human))
BDBM209497
PNG
(US10328074, Example III-38 | US9266891, III-38)
Show SMILES CC(C)Nc1nc(cn2c(C)nnc12)-c1nc2cnc(cc2n1Cc1cccc(C)n1)N1CCOCC1
Show InChI InChI=1S/C26H30N10O/c1-16(2)28-24-26-33-32-18(4)35(26)15-21(30-24)25-31-20-13-27-23(34-8-10-37-11-9-34)12-22(20)36(25)14-19-7-5-6-17(3)29-19/h5-7,12-13,15-16H,8-11,14H2,1-4H3,(H,28,30)
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n/an/a 17n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This assay is used to determine whether the compounds inhibit the interaction between the first (BRD4-BD1) or the second (BRD4-BD2) bromodomain of BR...


US Patent US10328074 (2019)


BindingDB Entry DOI: 10.7270/Q20Z75M2
More data for this
Ligand-Target Pair
BRD4 BD1 (aa 42-168)


(Homo sapiens (Human))
BDBM209476
PNG
(US10328074, Example III-17 | US9266891, III-17)
Show SMILES CCNc1nc(cn2c(C)nnc12)-c1nc2cnc(cc2n1Cc1ccccc1)N1CCN(C)CC1
Show InChI InChI=1S/C26H30N10/c1-4-27-24-26-32-31-18(2)35(26)17-21(29-24)25-30-20-15-28-23(34-12-10-33(3)11-13-34)14-22(20)36(25)16-19-8-6-5-7-9-19/h5-9,14-15,17H,4,10-13,16H2,1-3H3,(H,27,29)
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n/an/a 17n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This assay is used to determine whether the compounds inhibit the interaction between the first (BRD4-BD1) or the second (BRD4-BD2) bromodomain of BR...


US Patent US10328074 (2019)


BindingDB Entry DOI: 10.7270/Q20Z75M2
More data for this
Ligand-Target Pair
BRD4 BD1 (aa 42-168)


(Homo sapiens (Human))
BDBM209469
PNG
(US10328074, Example III-10 | US9266891, III-10)
Show SMILES CNc1nc(cn2c(C)nnc12)-c1nc2cccnc2n1Cc1ccccc1
Show InChI InChI=1S/C20H18N8/c1-13-25-26-20-17(21-2)23-16(12-27(13)20)19-24-15-9-6-10-22-18(15)28(19)11-14-7-4-3-5-8-14/h3-10,12H,11H2,1-2H3,(H,21,23)
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n/an/a 18n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This assay is used to determine whether the compounds inhibit the interaction between the first (BRD4-BD1) or the second (BRD4-BD2) bromodomain of BR...


US Patent US10328074 (2019)


BindingDB Entry DOI: 10.7270/Q20Z75M2
More data for this
Ligand-Target Pair
BRD4 BD1 (aa 42-168)


(Homo sapiens (Human))
BDBM50158612
PNG
(CHEMBL3787075 | US9493483, 401)
Show SMILES Cc1noc2[C@H](CC(N)=O)N=C(c3ccc(Cl)cc3)c3cc(ccc3-c12)-c1cnn(C)c1
Show InChI InChI=1S/C24H20ClN5O2/c1-13-22-18-8-5-15(16-11-27-30(2)12-16)9-19(18)23(14-3-6-17(25)7-4-14)28-20(10-21(26)31)24(22)32-29-13/h3-9,11-12,20H,10H2,1-2H3,(H2,26,31)/t20-/m0/s1
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n/an/a 18n/an/an/an/a7.025



Constellation Pharmaceuticals, Inc.

US Patent


Assay Description
His/Flag epitope tagged BRD4 BD142-168 was cloned, expressed and purified to homogeneity. BRD4 binding and inhibition was assessed by monitoring the ...


US Patent US9493483 (2016)


BindingDB Entry DOI: 10.7270/Q26D5RXQ
More data for this
Ligand-Target Pair
BRD4 BD1 (aa 42-168)


(Homo sapiens (Human))
BDBM209499
PNG
(US10328074, Example III-40 | US9266891, III-40)
Show SMILES CC(C)Nc1nc(cn2c(C)nnc12)-c1nc2cnc(cc2n1Cc1ccccn1)C(C)C
Show InChI InChI=1S/C24H27N9/c1-14(2)18-10-21-19(11-26-18)29-23(33(21)12-17-8-6-7-9-25-17)20-13-32-16(5)30-31-24(32)22(28-20)27-15(3)4/h6-11,13-15H,12H2,1-5H3,(H,27,28)
PDB

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UniChem
US Patent
n/an/a 18n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This assay is used to determine whether the compounds inhibit the interaction between the first (BRD4-BD1) or the second (BRD4-BD2) bromodomain of BR...


US Patent US10328074 (2019)


BindingDB Entry DOI: 10.7270/Q20Z75M2
More data for this
Ligand-Target Pair
BRD4 BD1 (aa 42-168)


(Homo sapiens (Human))
BDBM209452
PNG
(US10328074, Example I-4 | US9266891, I-4)
Show SMILES CNc1nc(cn2c(C)nnc12)-c1nn(C)c(C)c1Cc1ccccc1
Show InChI InChI=1S/C19H21N7/c1-12-15(10-14-8-6-5-7-9-14)17(24-25(12)4)16-11-26-13(2)22-23-19(26)18(20-3)21-16/h5-9,11H,10H2,1-4H3,(H,20,21)
PDB

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PC sid
UniChem
US Patent
n/an/a 18n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This assay is used to determine whether the compounds inhibit the interaction between the first (BRD4-BD1) or the second (BRD4-BD2) bromodomain of BR...


US Patent US10328074 (2019)


BindingDB Entry DOI: 10.7270/Q20Z75M2
More data for this
Ligand-Target Pair
BRD4 BD1 (aa 42-168)


(Homo sapiens (Human))
BDBM209483
PNG
(US10328074, Example III-24 | US9266891, III-24)
Show SMILES Cc1nnc2c(N[C@@H]3CCOC3)nc(cn12)-c1nc2cnc(cc2n1Cc1ccccn1)N1CCOCC1
Show InChI InChI=1S/C26H28N10O2/c1-17-32-33-26-24(29-19-5-9-38-16-19)30-21(15-35(17)26)25-31-20-13-28-23(34-7-10-37-11-8-34)12-22(20)36(25)14-18-4-2-3-6-27-18/h2-4,6,12-13,15,19H,5,7-11,14,16H2,1H3,(H,29,30)/t19-/m1/s1
PDB

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US Patent
n/an/a 20n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This assay is used to determine whether the compounds inhibit the interaction between the first (BRD4-BD1) or the second (BRD4-BD2) bromodomain of BR...


US Patent US10328074 (2019)


BindingDB Entry DOI: 10.7270/Q20Z75M2
More data for this
Ligand-Target Pair
BRD4 BD1 (aa 42-168)


(Homo sapiens (Human))
BDBM209492
PNG
(US10328074, Example III-33 | US9266891, III-33)
Show SMILES CC(C)Nc1nc(cn2c(C)nnc12)-c1nc2ccccc2n1Cc1ccccn1
Show InChI InChI=1S/C22H22N8/c1-14(2)24-20-22-28-27-15(3)29(22)13-18(25-20)21-26-17-9-4-5-10-19(17)30(21)12-16-8-6-7-11-23-16/h4-11,13-14H,12H2,1-3H3,(H,24,25)
PDB

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US Patent
n/an/a 20n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This assay is used to determine whether the compounds inhibit the interaction between the first (BRD4-BD1) or the second (BRD4-BD2) bromodomain of BR...


US Patent US10328074 (2019)


BindingDB Entry DOI: 10.7270/Q20Z75M2
More data for this
Ligand-Target Pair
BRD4 BD1 (aa 42-168)


(Homo sapiens (Human))
BDBM209466
PNG
(US10328074, Example III-7 | US9266891, III-7)
Show SMILES CNc1nc(cn2c(C)nnc12)-c1nc2ccccc2n1Cc1ccccc1
Show InChI InChI=1S/C21H19N7/c1-14-25-26-21-19(22-2)23-17(13-27(14)21)20-24-16-10-6-7-11-18(16)28(20)12-15-8-4-3-5-9-15/h3-11,13H,12H2,1-2H3,(H,22,23)
PDB

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US Patent
n/an/a 22n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This assay is used to determine whether the compounds inhibit the interaction between the first (BRD4-BD1) or the second (BRD4-BD2) bromodomain of BR...


US Patent US10328074 (2019)


BindingDB Entry DOI: 10.7270/Q20Z75M2
More data for this
Ligand-Target Pair
BRD4-BD1


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



Incyte Corporation

US Patent


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


US Patent US9834565 (2017)


BindingDB Entry DOI: 10.7270/Q29P33XS
More data for this
Ligand-Target Pair
BRD4-BD1


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

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n/an/a<25n/an/an/an/an/an/a



Incyte Corporation

US Patent


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


US Patent US9834565 (2017)


BindingDB Entry DOI: 10.7270/Q29P33XS
More data for this
Ligand-Target Pair
BRD4-BD1


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

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US Patent
n/an/a<25n/an/an/an/an/an/a



Incyte Corporation

US Patent


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


US Patent US9834565 (2017)


BindingDB Entry DOI: 10.7270/Q29P33XS
More data for this
Ligand-Target Pair
BRD4-BD1


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

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UniChem
US Patent
n/an/a<25n/an/an/an/an/an/a



Incyte Corporation

US Patent


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


US Patent US9834565 (2017)


BindingDB Entry DOI: 10.7270/Q29P33XS
More data for this
Ligand-Target Pair
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