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Compile Data Set for Download or QSAR

Found 88 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 1615   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM243258
PNG
(US10053454, Example 2 | US10196387, Example 2)
Show SMILES C[C@H]1CN(C[C@@H](C)O1)C(=O)c1ccc2c(c1)n(CC1CC1)c1c(cc(cc21)-c1c(C)noc1C)C(N)=O |r|
Show InChI InChI=1S/C29H32N4O4/c1-15-12-32(13-16(2)36-15)29(35)20-7-8-22-23-9-21(26-17(3)31-37-18(26)4)10-24(28(30)34)27(23)33(25(22)11-20)14-19-5-6-19/h7-11,15-16,19H,5-6,12-14H2,1-4H3,(H2,30,34)/t15-,16+
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Bristol-Myers Squibb Company

US Patent


Assay Description
The binding of compounds to bromodomain BRD4 (44-168), BRD4 (333-460), and BRD4 (1-477 or 44-460) was assessed using a time resolved fluorescent reso...


US Patent US10196387 (2019)


BindingDB Entry DOI: 10.7270/Q29S1T30
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM243311
PNG
(US10053454, Example 55 | US10196387, Example 55)
Show SMILES Cc1noc(C)c1-c1cc(C(N)=O)c2n(c3cc(ccc3c2c1)C(C)(C)O)S(=O)(=O)C1CC1
Show InChI InChI=1S/C24H25N3O5S/c1-12-21(13(2)32-26-12)14-9-18-17-8-5-15(24(3,4)29)11-20(17)27(33(30,31)16-6-7-16)22(18)19(10-14)23(25)28/h5,8-11,16,29H,6-7H2,1-4H3,(H2,25,28)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The binding of compounds to bromodomain BRD4 (44-168), BRD4 (333-460), and BRD4 (1-477 or 44-460) was assessed using a time resolved fluorescent reso...


US Patent US10196387 (2019)


BindingDB Entry DOI: 10.7270/Q29S1T30
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM243261
PNG
(US10053454, Example 5 | US10196387, Example 5)
Show SMILES Cc1noc(C)c1-c1cc(C(N)=O)c2n(c3cc(ccc3c2c1)C(=O)N1CCOCC1)S(C)(=O)=O
Show InChI InChI=1S/C24H24N4O6S/c1-13-21(14(2)34-26-13)16-10-18-17-5-4-15(24(30)27-6-8-33-9-7-27)12-20(17)28(35(3,31)32)22(18)19(11-16)23(25)29/h4-5,10-12H,6-9H2,1-3H3,(H2,25,29)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The binding of compounds to bromodomain BRD4 (44-168), BRD4 (333-460), and BRD4 (1-477 or 44-460) was assessed using a time resolved fluorescent reso...


US Patent US10196387 (2019)


BindingDB Entry DOI: 10.7270/Q29S1T30
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM243262
PNG
(US10053454, Example 6 | US10196387, Example 6)
Show SMILES Cc1noc(C)c1-c1cc(C(N)=O)c2n(c3cc(ccc3c2c1)C(=O)N1CCC(CC1)C#N)S(C)(=O)=O
Show InChI InChI=1S/C26H25N5O5S/c1-14-23(15(2)36-29-14)18-10-20-19-5-4-17(26(33)30-8-6-16(13-27)7-9-30)12-22(19)31(37(3,34)35)24(20)21(11-18)25(28)32/h4-5,10-12,16H,6-9H2,1-3H3,(H2,28,32)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The binding of compounds to bromodomain BRD4 (44-168), BRD4 (333-460), and BRD4 (1-477 or 44-460) was assessed using a time resolved fluorescent reso...


US Patent US10196387 (2019)


BindingDB Entry DOI: 10.7270/Q29S1T30
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM243263
PNG
(3-(3,5-dimethyl-4- isoxazolyl)-7-((3-fluoro-1- aze...)
Show SMILES Cc1noc(C)c1-c1cc(C(N)=O)c2n(c3cc(ccc3c2c1)C(=O)N1CC(F)C1)S(C)(=O)=O
Show InChI InChI=1S/C23H21FN4O5S/c1-11-20(12(2)33-26-11)14-6-17-16-5-4-13(23(30)27-9-15(24)10-27)8-19(16)28(34(3,31)32)21(17)18(7-14)22(25)29/h4-8,15H,9-10H2,1-3H3,(H2,25,29)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The binding of compounds to bromodomain BRD4 (44-168), BRD4 (333-460), and BRD4 (1-477 or 44-460) was assessed using a time resolved fluorescent reso...


US Patent US10196387 (2019)


BindingDB Entry DOI: 10.7270/Q29S1T30
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM243265
PNG
(7-((4,4-difluoro-1- piperidinyl)carbonyl)-3- (3,5-...)
Show SMILES Cc1noc(C)c1-c1cc(C(N)=O)c2n(c3cc(ccc3c2c1)C(=O)N1CCC(F)(F)CC1)S(C)(=O)=O
Show InChI InChI=1S/C25H24F2N4O5S/c1-13-21(14(2)36-29-13)16-10-18-17-5-4-15(24(33)30-8-6-25(26,27)7-9-30)12-20(17)31(37(3,34)35)22(18)19(11-16)23(28)32/h4-5,10-12H,6-9H2,1-3H3,(H2,28,32)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The binding of compounds to bromodomain BRD4 (44-168), BRD4 (333-460), and BRD4 (1-477 or 44-460) was assessed using a time resolved fluorescent reso...


US Patent US10196387 (2019)


BindingDB Entry DOI: 10.7270/Q29S1T30
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM243266
PNG
(7-((3-(dimethylamino)-1- piperidinyl)carbonyl)-3- ...)
Show SMILES CN(C)C1CCCN(C1)C(=O)c1ccc2c(c1)n(c1c(cc(cc21)-c1c(C)noc1C)C(N)=O)S(C)(=O)=O
Show InChI InChI=1S/C27H31N5O5S/c1-15-24(16(2)37-29-15)18-11-21-20-9-8-17(27(34)31-10-6-7-19(14-31)30(3)4)13-23(20)32(38(5,35)36)25(21)22(12-18)26(28)33/h8-9,11-13,19H,6-7,10,14H2,1-5H3,(H2,28,33)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The binding of compounds to bromodomain BRD4 (44-168), BRD4 (333-460), and BRD4 (1-477 or 44-460) was assessed using a time resolved fluorescent reso...


US Patent US10196387 (2019)


BindingDB Entry DOI: 10.7270/Q29S1T30
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM243267
PNG
(7-((3,3-difluoro-1- azetidinyl)carbonyl)-3-(3,5- d...)
Show SMILES Cc1noc(C)c1-c1cc(C(N)=O)c2n(c3cc(ccc3c2c1)C(=O)N1CC(F)(F)C1)S(C)(=O)=O
Show InChI InChI=1S/C23H20F2N4O5S/c1-11-19(12(2)34-27-11)14-6-16-15-5-4-13(22(31)28-9-23(24,25)10-28)8-18(15)29(35(3,32)33)20(16)17(7-14)21(26)30/h4-8H,9-10H2,1-3H3,(H2,26,30)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The binding of compounds to bromodomain BRD4 (44-168), BRD4 (333-460), and BRD4 (1-477 or 44-460) was assessed using a time resolved fluorescent reso...


US Patent US10196387 (2019)


BindingDB Entry DOI: 10.7270/Q29S1T30
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM243268
PNG
(3-(3,5-dimethyl-4- isoxazolyl)-N7,N7- dimethyl-9- ...)
Show SMILES CN(C)C(=O)c1ccc2c(c1)n(c1c(cc(cc21)-c1c(C)noc1C)C(N)=O)S(C)(=O)=O
Show InChI InChI=1S/C22H22N4O5S/c1-11-19(12(2)31-24-11)14-8-16-15-7-6-13(22(28)25(3)4)10-18(15)26(32(5,29)30)20(16)17(9-14)21(23)27/h6-10H,1-5H3,(H2,23,27)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The binding of compounds to bromodomain BRD4 (44-168), BRD4 (333-460), and BRD4 (1-477 or 44-460) was assessed using a time resolved fluorescent reso...


US Patent US10196387 (2019)


BindingDB Entry DOI: 10.7270/Q29S1T30
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM243269
PNG
(3-(3,5-dimethyl-4- isoxazolyl)-7-((3-fluoro-1- pip...)
Show SMILES Cc1noc(C)c1-c1cc(C(N)=O)c2n(c3cc(ccc3c2c1)C(=O)N1CCCC(F)C1)S(C)(=O)=O
Show InChI InChI=1S/C25H25FN4O5S/c1-13-22(14(2)35-28-13)16-9-19-18-7-6-15(25(32)29-8-4-5-17(26)12-29)11-21(18)30(36(3,33)34)23(19)20(10-16)24(27)31/h6-7,9-11,17H,4-5,8,12H2,1-3H3,(H2,27,31)
PDB

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Bristol-Myers Squibb Company

US Patent


Assay Description
The binding of compounds to bromodomain BRD4 (44-168), BRD4 (333-460), and BRD4 (1-477 or 44-460) was assessed using a time resolved fluorescent reso...


US Patent US10196387 (2019)


BindingDB Entry DOI: 10.7270/Q29S1T30
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM243270
PNG
(3-(3,5-dimethyl-4- isoxazolyl)-7-((3-methoxy- 1-az...)
Show SMILES COC1CN(C1)C(=O)c1ccc2c(c1)n(c1c(cc(cc21)-c1c(C)noc1C)C(N)=O)S(C)(=O)=O
Show InChI InChI=1S/C24H24N4O6S/c1-12-21(13(2)34-26-12)15-7-18-17-6-5-14(24(30)27-10-16(11-27)33-3)9-20(17)28(35(4,31)32)22(18)19(8-15)23(25)29/h5-9,16H,10-11H2,1-4H3,(H2,25,29)
PDB

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Bristol-Myers Squibb Company

US Patent


Assay Description
The binding of compounds to bromodomain BRD4 (44-168), BRD4 (333-460), and BRD4 (1-477 or 44-460) was assessed using a time resolved fluorescent reso...


US Patent US10196387 (2019)


BindingDB Entry DOI: 10.7270/Q29S1T30
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM243272
PNG
(3-(3,5-dimethyl-4- isoxazolyl)-7-((4-hydroxy- 2,2,...)
Show SMILES Cc1noc(C)c1-c1cc(C(N)=O)c2n(c3cc(ccc3c2c1)C(=O)N1C(C)(C)CC(O)CC1(C)C)S(C)(=O)=O
Show InChI InChI=1S/C29H34N4O6S/c1-15-24(16(2)39-31-15)18-10-21-20-9-8-17(27(36)33-28(3,4)13-19(34)14-29(33,5)6)12-23(20)32(40(7,37)38)25(21)22(11-18)26(30)35/h8-12,19,34H,13-14H2,1-7H3,(H2,30,35)
PDB

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Bristol-Myers Squibb Company

US Patent


Assay Description
The binding of compounds to bromodomain BRD4 (44-168), BRD4 (333-460), and BRD4 (1-477 or 44-460) was assessed using a time resolved fluorescent reso...


US Patent US10196387 (2019)


BindingDB Entry DOI: 10.7270/Q29S1T30
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM243273
PNG
(3-(3,5-dimethyl-4- isoxazolyl)-9- (methylsulfonyl)...)
Show SMILES Cc1noc(C)c1-c1cc(C(N)=O)c2n(c3cc(ccc3c2c1)C(=O)N1CCCOCC1)S(C)(=O)=O
Show InChI InChI=1S/C25H26N4O6S/c1-14-22(15(2)35-27-14)17-11-19-18-6-5-16(25(31)28-7-4-9-34-10-8-28)13-21(18)29(36(3,32)33)23(19)20(12-17)24(26)30/h5-6,11-13H,4,7-10H2,1-3H3,(H2,26,30)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The binding of compounds to bromodomain BRD4 (44-168), BRD4 (333-460), and BRD4 (1-477 or 44-460) was assessed using a time resolved fluorescent reso...


US Patent US10196387 (2019)


BindingDB Entry DOI: 10.7270/Q29S1T30
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM243274
PNG
(7-((3-(dimethylamino)-1- pyrrolidinyl)carbonyl)-3-...)
Show SMILES CN(C)C1CCN(C1)C(=O)c1ccc2c(c1)n(c1c(cc(cc21)-c1c(C)noc1C)C(N)=O)S(C)(=O)=O
Show InChI InChI=1S/C26H29N5O5S/c1-14-23(15(2)36-28-14)17-10-20-19-7-6-16(26(33)30-9-8-18(13-30)29(3)4)12-22(19)31(37(5,34)35)24(20)21(11-17)25(27)32/h6-7,10-12,18H,8-9,13H2,1-5H3,(H2,27,32)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The binding of compounds to bromodomain BRD4 (44-168), BRD4 (333-460), and BRD4 (1-477 or 44-460) was assessed using a time resolved fluorescent reso...


US Patent US10196387 (2019)


BindingDB Entry DOI: 10.7270/Q29S1T30
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM243276
PNG
(US10053454, Example 20 | US10196387, Example 20)
Show SMILES Cc1noc(C)c1-c1cc(C(N)=O)c2n(c3cc(ccc3c2c1)C(=O)N1CCC(CC1)C#N)S(=O)(=O)C1CC1
Show InChI InChI=1S/C28H27N5O5S/c1-15-25(16(2)38-31-15)19-11-22-21-6-3-18(28(35)32-9-7-17(14-29)8-10-32)13-24(21)33(39(36,37)20-4-5-20)26(22)23(12-19)27(30)34/h3,6,11-13,17,20H,4-5,7-10H2,1-2H3,(H2,30,34)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The binding of compounds to bromodomain BRD4 (44-168), BRD4 (333-460), and BRD4 (1-477 or 44-460) was assessed using a time resolved fluorescent reso...


US Patent US10196387 (2019)


BindingDB Entry DOI: 10.7270/Q29S1T30
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM243277
PNG
(9-(cyclopropylsulfonyl)-3-(3,5- dimethyl-4-isoxazo...)
Show SMILES Cc1noc(C)c1-c1cc(C(N)=O)c2n(c3cc(ccc3c2c1)C(=O)N1CC(F)C1)S(=O)(=O)C1CC1
Show InChI InChI=1S/C25H23FN4O5S/c1-12-22(13(2)35-28-12)15-7-19-18-6-3-14(25(32)29-10-16(26)11-29)9-21(18)30(36(33,34)17-4-5-17)23(19)20(8-15)24(27)31/h3,6-9,16-17H,4-5,10-11H2,1-2H3,(H2,27,31)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The binding of compounds to bromodomain BRD4 (44-168), BRD4 (333-460), and BRD4 (1-477 or 44-460) was assessed using a time resolved fluorescent reso...


US Patent US10196387 (2019)


BindingDB Entry DOI: 10.7270/Q29S1T30
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM243278
PNG
(9-(cyclopropylsulfonyl)-3-(3,5- dimethyl-4-isoxazo...)
Show SMILES COC1CN(C1)C(=O)c1ccc2c(c1)n(c1c(cc(cc21)-c1c(C)noc1C)C(N)=O)S(=O)(=O)C1CC1
Show InChI InChI=1S/C26H26N4O6S/c1-13-23(14(2)36-28-13)16-8-20-19-7-4-15(26(32)29-11-17(12-29)35-3)10-22(19)30(37(33,34)18-5-6-18)24(20)21(9-16)25(27)31/h4,7-10,17-18H,5-6,11-12H2,1-3H3,(H2,27,31)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The binding of compounds to bromodomain BRD4 (44-168), BRD4 (333-460), and BRD4 (1-477 or 44-460) was assessed using a time resolved fluorescent reso...


US Patent US10196387 (2019)


BindingDB Entry DOI: 10.7270/Q29S1T30
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM243279
PNG
(9-(cyclopropylsulfonyl)-3-(3,5- dimethyl-4-isoxazo...)
Show SMILES Cc1noc(C)c1-c1cc(C(N)=O)c2n(c3cc(ccc3c2c1)C(=O)N1CCCC(F)C1)S(=O)(=O)C1CC1
Show InChI InChI=1S/C27H27FN4O5S/c1-14-24(15(2)37-30-14)17-10-21-20-8-5-16(27(34)31-9-3-4-18(28)13-31)12-23(20)32(38(35,36)19-6-7-19)25(21)22(11-17)26(29)33/h5,8,10-12,18-19H,3-4,6-7,9,13H2,1-2H3,(H2,29,33)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The binding of compounds to bromodomain BRD4 (44-168), BRD4 (333-460), and BRD4 (1-477 or 44-460) was assessed using a time resolved fluorescent reso...


US Patent US10196387 (2019)


BindingDB Entry DOI: 10.7270/Q29S1T30
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM243280
PNG
(9-(cyclopropylsulfonyl)-7-((3,3- difluoro-1-azetid...)
Show SMILES Cc1noc(C)c1-c1cc(C(N)=O)c2n(c3cc(ccc3c2c1)C(=O)N1CC(F)(F)C1)S(=O)(=O)C1CC1
Show InChI InChI=1S/C25H22F2N4O5S/c1-12-21(13(2)36-29-12)15-7-18-17-6-3-14(24(33)30-10-25(26,27)11-30)9-20(17)31(37(34,35)16-4-5-16)22(18)19(8-15)23(28)32/h3,6-9,16H,4-5,10-11H2,1-2H3,(H2,28,32)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The binding of compounds to bromodomain BRD4 (44-168), BRD4 (333-460), and BRD4 (1-477 or 44-460) was assessed using a time resolved fluorescent reso...


US Patent US10196387 (2019)


BindingDB Entry DOI: 10.7270/Q29S1T30
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM243281
PNG
(9-(cyclopropylsulfonyl)-3-(3,5- dimethyl-4-isoxazo...)
Show SMILES Cc1noc(C)c1-c1cc(C(N)=O)c2n(c3cc(ccc3c2c1)C(=O)N1CCCOCC1)S(=O)(=O)C1CC1
Show InChI InChI=1S/C27H28N4O6S/c1-15-24(16(2)37-29-15)18-12-21-20-7-4-17(27(33)30-8-3-10-36-11-9-30)14-23(20)31(38(34,35)19-5-6-19)25(21)22(13-18)26(28)32/h4,7,12-14,19H,3,5-6,8-11H2,1-2H3,(H2,28,32)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The binding of compounds to bromodomain BRD4 (44-168), BRD4 (333-460), and BRD4 (1-477 or 44-460) was assessed using a time resolved fluorescent reso...


US Patent US10196387 (2019)


BindingDB Entry DOI: 10.7270/Q29S1T30
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM243282
PNG
(9-(cyclopropylsulfonyl)-7-((4,4- difluoro-1-piperi...)
Show SMILES Cc1noc(C)c1-c1cc(C(N)=O)c2n(c3cc(ccc3c2c1)C(=O)N1CCC(F)(F)CC1)S(=O)(=O)C1CC1
Show InChI InChI=1S/C27H26F2N4O5S/c1-14-23(15(2)38-31-14)17-11-20-19-6-3-16(26(35)32-9-7-27(28,29)8-10-32)13-22(19)33(39(36,37)18-4-5-18)24(20)21(12-17)25(30)34/h3,6,11-13,18H,4-5,7-10H2,1-2H3,(H2,30,34)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The binding of compounds to bromodomain BRD4 (44-168), BRD4 (333-460), and BRD4 (1-477 or 44-460) was assessed using a time resolved fluorescent reso...


US Patent US10196387 (2019)


BindingDB Entry DOI: 10.7270/Q29S1T30
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM243294
PNG
(US10053454, Example 38 | US10196387, Example 38)
Show SMILES CN(C)c1ccc2c(c1)n(CC1CC1)c1c(cc(cc21)-c1c(C)noc1C)C(N)=O
Show InChI InChI=1S/C24H26N4O2/c1-13-22(14(2)30-26-13)16-9-19-18-8-7-17(27(3)4)11-21(18)28(12-15-5-6-15)23(19)20(10-16)24(25)29/h7-11,15H,5-6,12H2,1-4H3,(H2,25,29)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The binding of compounds to bromodomain BRD4 (44-168), BRD4 (333-460), and BRD4 (1-477 or 44-460) was assessed using a time resolved fluorescent reso...


US Patent US10196387 (2019)


BindingDB Entry DOI: 10.7270/Q29S1T30
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM243296
PNG
(US10053454, Example 40 | US10196387, Example 40)
Show SMILES CN(C(C)=O)c1ccc2c(c1)n(CC1CC1)c1c(cc(cc21)-c1c(C)noc1C)C(N)=O
Show InChI InChI=1S/C25H26N4O3/c1-13-23(14(2)32-27-13)17-9-20-19-8-7-18(28(4)15(3)30)11-22(19)29(12-16-5-6-16)24(20)21(10-17)25(26)31/h7-11,16H,5-6,12H2,1-4H3,(H2,26,31)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The binding of compounds to bromodomain BRD4 (44-168), BRD4 (333-460), and BRD4 (1-477 or 44-460) was assessed using a time resolved fluorescent reso...


US Patent US10196387 (2019)


BindingDB Entry DOI: 10.7270/Q29S1T30
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM243299
PNG
(US10053454, Example 43 | US10196387, Example 43)
Show SMILES Cc1noc(C)c1-c1cc(C(N)=O)c2n(CC3CC3)c3cc(ccc3c2c1)N1CCCOC1=O
Show InChI InChI=1S/C26H26N4O4/c1-14-23(15(2)34-28-14)17-10-20-19-7-6-18(29-8-3-9-33-26(29)32)12-22(19)30(13-16-4-5-16)24(20)21(11-17)25(27)31/h6-7,10-12,16H,3-5,8-9,13H2,1-2H3,(H2,27,31)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The binding of compounds to bromodomain BRD4 (44-168), BRD4 (333-460), and BRD4 (1-477 or 44-460) was assessed using a time resolved fluorescent reso...


US Patent US10196387 (2019)


BindingDB Entry DOI: 10.7270/Q29S1T30
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM243300
PNG
(US10053454, Example 44 | US10196387, Example 44)
Show SMILES Cc1noc(C)c1-c1cc(C(N)=O)c2n(CC3CC3)c3cc(ccc3c2c1)N1CCCC1=O
Show InChI InChI=1S/C26H26N4O3/c1-14-24(15(2)33-28-14)17-10-20-19-8-7-18(29-9-3-4-23(29)31)12-22(19)30(13-16-5-6-16)25(20)21(11-17)26(27)32/h7-8,10-12,16H,3-6,9,13H2,1-2H3,(H2,27,32)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The binding of compounds to bromodomain BRD4 (44-168), BRD4 (333-460), and BRD4 (1-477 or 44-460) was assessed using a time resolved fluorescent reso...


US Patent US10196387 (2019)


BindingDB Entry DOI: 10.7270/Q29S1T30
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM243305
PNG
(US10053454, Example 49 | US10196387, Example 49)
Show SMILES COc1ccc2c(c1)n(CC1CC1)c1c(cc(cc21)-c1c(C)noc1C)C(N)=O
Show InChI InChI=1S/C23H23N3O3/c1-12-21(13(2)29-25-12)15-8-18-17-7-6-16(28-3)10-20(17)26(11-14-4-5-14)22(18)19(9-15)23(24)27/h6-10,14H,4-5,11H2,1-3H3,(H2,24,27)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The binding of compounds to bromodomain BRD4 (44-168), BRD4 (333-460), and BRD4 (1-477 or 44-460) was assessed using a time resolved fluorescent reso...


US Patent US10196387 (2019)


BindingDB Entry DOI: 10.7270/Q29S1T30
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM243308
PNG
(US10053454, Example 52 | US10196387, Example 52)
Show SMILES Cc1noc(C)c1-c1cc(C(N)=O)c2n(CC3CC3)c3cc(ccc3c2c1)C(C)(C)N1CCOCC1
Show InChI InChI=1S/C29H34N4O3/c1-17-26(18(2)36-31-17)20-13-23-22-8-7-21(29(3,4)32-9-11-35-12-10-32)15-25(22)33(16-19-5-6-19)27(23)24(14-20)28(30)34/h7-8,13-15,19H,5-6,9-12,16H2,1-4H3,(H2,30,34)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The binding of compounds to bromodomain BRD4 (44-168), BRD4 (333-460), and BRD4 (1-477 or 44-460) was assessed using a time resolved fluorescent reso...


US Patent US10196387 (2019)


BindingDB Entry DOI: 10.7270/Q29S1T30
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM243310
PNG
(US10053454, Example 54 | US10196387, Example 54)
Show SMILES Cc1noc(C)c1-c1cc(C(N)=O)c2n(c3cc(ccc3c2c1)C(C)(C)O)S(C)(=O)=O
Show InChI InChI=1S/C22H23N3O5S/c1-11-19(12(2)30-24-11)13-8-16-15-7-6-14(22(3,4)27)10-18(15)25(31(5,28)29)20(16)17(9-13)21(23)26/h6-10,27H,1-5H3,(H2,23,26)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The binding of compounds to bromodomain BRD4 (44-168), BRD4 (333-460), and BRD4 (1-477 or 44-460) was assessed using a time resolved fluorescent reso...


US Patent US10196387 (2019)


BindingDB Entry DOI: 10.7270/Q29S1T30
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM243327
PNG
(US10053454, Example 71 | US10196387, Example 71)
Show SMILES Cc1noc(C)c1-c1cc(C(N)=O)c2n(CC3CC3)c3cc(ccc3c2c1)N1CCCS1(=O)=O
Show InChI InChI=1S/C25H26N4O4S/c1-14-23(15(2)33-27-14)17-10-20-19-7-6-18(29-8-3-9-34(29,31)32)12-22(19)28(13-16-4-5-16)24(20)21(11-17)25(26)30/h6-7,10-12,16H,3-5,8-9,13H2,1-2H3,(H2,26,30)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The binding of compounds to bromodomain BRD4 (44-168), BRD4 (333-460), and BRD4 (1-477 or 44-460) was assessed using a time resolved fluorescent reso...


US Patent US10196387 (2019)


BindingDB Entry DOI: 10.7270/Q29S1T30
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM243332
PNG
(US10053454, Example 76 | US10196387, Example 76)
Show SMILES C[C@H]1CN(C[C@@H](C)O1)C(=O)c1cc(OC(F)(F)F)cc2n(c3c(cc(cc3c12)-c1c(C)noc1C)C(N)=O)S(C)(=O)=O |r|
Show InChI InChI=1S/C27H27F3N4O7S/c1-12-10-33(11-13(2)39-12)26(36)19-8-17(40-27(28,29)30)9-21-23(19)18-6-16(22-14(3)32-41-15(22)4)7-20(25(31)35)24(18)34(21)42(5,37)38/h6-9,12-13H,10-11H2,1-5H3,(H2,31,35)/t12-,13+
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Bristol-Myers Squibb Company

US Patent


Assay Description
The binding of compounds to bromodomain BRD4 (44-168), BRD4 (333-460), and BRD4 (1-477 or 44-460) was assessed using a time resolved fluorescent reso...


US Patent US10196387 (2019)


BindingDB Entry DOI: 10.7270/Q29S1T30
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM243334
PNG
(US10053454, Example 78 | US10196387, Example 78)
Show SMILES Cc1noc(C)c1-c1cc(C(N)=O)c2n(CC3CC3)c3ccc(cc3c2c1)S(C)(=O)=O
Show InChI InChI=1S/C23H23N3O4S/c1-12-21(13(2)30-25-12)15-8-18-17-10-16(31(3,28)29)6-7-20(17)26(11-14-4-5-14)22(18)19(9-15)23(24)27/h6-10,14H,4-5,11H2,1-3H3,(H2,24,27)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The binding of compounds to bromodomain BRD4 (44-168), BRD4 (333-460), and BRD4 (1-477 or 44-460) was assessed using a time resolved fluorescent reso...


US Patent US10196387 (2019)


BindingDB Entry DOI: 10.7270/Q29S1T30
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM243336
PNG
(US10053454, Example 80 | US10196387, Example 80)
Show SMILES Cc1noc(C)c1-c1cc(C(N)=O)c2n(CC3CC3)c3cc(ccc3c2c1)S(C)(=O)=O
Show InChI InChI=1S/C23H23N3O4S/c1-12-21(13(2)30-25-12)15-8-18-17-7-6-16(31(3,28)29)10-20(17)26(11-14-4-5-14)22(18)19(9-15)23(24)27/h6-10,14H,4-5,11H2,1-3H3,(H2,24,27)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The binding of compounds to bromodomain BRD4 (44-168), BRD4 (333-460), and BRD4 (1-477 or 44-460) was assessed using a time resolved fluorescent reso...


US Patent US10196387 (2019)


BindingDB Entry DOI: 10.7270/Q29S1T30
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM243337
PNG
(US10053454, Example 81 | US10196387, Example 81)
Show SMILES Cc1noc(C)c1-c1cc(C(N)=O)c2n(CC3CC3)c3cccc(c3c2c1)S(C)(=O)=O
Show InChI InChI=1S/C23H23N3O4S/c1-12-20(13(2)30-25-12)15-9-16-21-18(5-4-6-19(21)31(3,28)29)26(11-14-7-8-14)22(16)17(10-15)23(24)27/h4-6,9-10,14H,7-8,11H2,1-3H3,(H2,24,27)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The binding of compounds to bromodomain BRD4 (44-168), BRD4 (333-460), and BRD4 (1-477 or 44-460) was assessed using a time resolved fluorescent reso...


US Patent US10196387 (2019)


BindingDB Entry DOI: 10.7270/Q29S1T30
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM243342
PNG
(US10053454, Example 86 | US10196387, Example 86)
Show SMILES C[C@H]1CN(C[C@@H](C)O1)C(=O)c1ccc2c(c1)n(CC1CC1)c1c(cc(-c3c(C)noc3C)c(F)c21)C(N)=O |r,wU:5.5,1.0,(-8.53,2.83,;-7.03,2.51,;-6,3.65,;-4.49,3.33,;-4.02,1.87,;-5.05,.72,;-4.57,-.74,;-6.55,1.04,;-3.46,4.48,;-3.94,5.94,;-1.95,4.16,;-1.48,2.69,;.03,2.37,;1.06,3.52,;.58,4.98,;-.92,5.3,;1.83,5.89,;1.83,7.43,;.49,8.2,;-.28,9.53,;-1.05,8.2,;3.07,4.98,;4.58,5.3,;5.61,4.16,;5.13,2.69,;6.17,1.55,;7.63,2.02,;8.4,3.36,;8.53,.78,;7.63,-.47,;6.17,.01,;4.83,-.76,;3.63,2.37,;3.15,.91,;2.6,3.52,;5.06,6.77,;6.56,7.09,;4.03,7.91,)|
Show InChI InChI=1S/C29H31FN4O4/c1-14-11-33(12-15(2)37-14)29(36)19-7-8-20-23(9-19)34(13-18-5-6-18)27-22(28(31)35)10-21(26(30)25(20)27)24-16(3)32-38-17(24)4/h7-10,14-15,18H,5-6,11-13H2,1-4H3,(H2,31,35)/t14-,15+
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Bristol-Myers Squibb Company

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Assay Description
The binding of compounds to bromodomain BRD4 (44-168), BRD4 (333-460), and BRD4 (1-477 or 44-460) was assessed using a time resolved fluorescent reso...


US Patent US10196387 (2019)


BindingDB Entry DOI: 10.7270/Q29S1T30
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM243343
PNG
(US10053454, Example 87 | US10196387, Example 87)
Show SMILES Cc1noc(C)c1-c1cc(C(N)=O)c2n(c3ccc(cc3c2c1)C(=O)N1CCOCC1)S(=O)(=O)C1CC1
Show InChI InChI=1S/C26H26N4O6S/c1-14-23(15(2)36-28-14)17-12-20-19-11-16(26(32)29-7-9-35-10-8-29)3-6-22(19)30(37(33,34)18-4-5-18)24(20)21(13-17)25(27)31/h3,6,11-13,18H,4-5,7-10H2,1-2H3,(H2,27,31)
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Bristol-Myers Squibb Company

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Assay Description
The binding of compounds to bromodomain BRD4 (44-168), BRD4 (333-460), and BRD4 (1-477 or 44-460) was assessed using a time resolved fluorescent reso...


US Patent US10196387 (2019)


BindingDB Entry DOI: 10.7270/Q29S1T30
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM243344
PNG
(US10053454, Example 88 | US10196387, Example 88)
Show SMILES C[C@H]1CN(C[C@@H](C)O1)C(=O)c1ccc2c(c1)n(c1c(cc(cc21)-c1c(C)noc1C)C(N)=O)S(=O)(=O)C1CC1 |r|
Show InChI InChI=1S/C28H30N4O6S/c1-14-12-31(13-15(2)37-14)28(34)18-5-8-21-22-9-19(25-16(3)30-38-17(25)4)10-23(27(29)33)26(22)32(24(21)11-18)39(35,36)20-6-7-20/h5,8-11,14-15,20H,6-7,12-13H2,1-4H3,(H2,29,33)/t14-,15+
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Bristol-Myers Squibb Company

US Patent


Assay Description
The binding of compounds to bromodomain BRD4 (44-168), BRD4 (333-460), and BRD4 (1-477 or 44-460) was assessed using a time resolved fluorescent reso...


US Patent US10196387 (2019)


BindingDB Entry DOI: 10.7270/Q29S1T30
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM243260
PNG
(US10053454, Example 4 | US10196387, Example 4)
Show SMILES Cc1noc(C)c1-c1cc(C(N)=O)c2n(CC3CC3)c3cc(ccc3c2c1)C(=O)N1CCOCC1
Show InChI InChI=1S/C27H28N4O4/c1-15-24(16(2)35-29-15)19-11-21-20-6-5-18(27(33)30-7-9-34-10-8-30)13-23(20)31(14-17-3-4-17)25(21)22(12-19)26(28)32/h5-6,11-13,17H,3-4,7-10,14H2,1-2H3,(H2,28,32)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The binding of compounds to bromodomain BRD4 (44-168), BRD4 (333-460), and BRD4 (1-477 or 44-460) was assessed using a time resolved fluorescent reso...


US Patent US10196387 (2019)


BindingDB Entry DOI: 10.7270/Q29S1T30
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM243257
PNG
(US10053454, Example 1 | US10196387, Example 1)
Show SMILES Cc1noc(C)c1-c1cc(C(N)=O)c2[nH]c3cc(ccc3c2c1)C(=O)N1CCCCC1
Show InChI InChI=1S/C24H24N4O3/c1-13-21(14(2)31-27-13)16-10-18-17-7-6-15(24(30)28-8-4-3-5-9-28)12-20(17)26-22(18)19(11-16)23(25)29/h6-7,10-12,26H,3-5,8-9H2,1-2H3,(H2,25,29)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The binding of compounds to bromodomain BRD4 (44-168), BRD4 (333-460), and BRD4 (1-477 or 44-460) was assessed using a time resolved fluorescent reso...


US Patent US10196387 (2019)


BindingDB Entry DOI: 10.7270/Q29S1T30
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM243259
PNG
(US10053454, Example 3 | US10196387, Example 3)
Show SMILES Cc1noc(C)c1-c1cc(C(N)=O)c2[nH]c3cc(ccc3c2c1)C(=O)N1CCOCC1
Show InChI InChI=1S/C23H22N4O4/c1-12-20(13(2)31-26-12)15-9-17-16-4-3-14(23(29)27-5-7-30-8-6-27)11-19(16)25-21(17)18(10-15)22(24)28/h3-4,9-11,25H,5-8H2,1-2H3,(H2,24,28)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The binding of compounds to bromodomain BRD4 (44-168), BRD4 (333-460), and BRD4 (1-477 or 44-460) was assessed using a time resolved fluorescent reso...


US Patent US10196387 (2019)


BindingDB Entry DOI: 10.7270/Q29S1T30
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM243264
PNG
(3-(3,5-dimethyl-4- isoxazolyl)-7-((4-fluoro-1- pip...)
Show SMILES Cc1noc(C)c1-c1cc(C(N)=O)c2n(c3cc(ccc3c2c1)C(=O)N1CCC(F)CC1)S(C)(=O)=O
Show InChI InChI=1S/C25H25FN4O5S/c1-13-22(14(2)35-28-13)16-10-19-18-5-4-15(25(32)29-8-6-17(26)7-9-29)12-21(18)30(36(3,33)34)23(19)20(11-16)24(27)31/h4-5,10-12,17H,6-9H2,1-3H3,(H2,27,31)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The binding of compounds to bromodomain BRD4 (44-168), BRD4 (333-460), and BRD4 (1-477 or 44-460) was assessed using a time resolved fluorescent reso...


US Patent US10196387 (2019)


BindingDB Entry DOI: 10.7270/Q29S1T30
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM243275
PNG
(3-(3,5-dimethyl-4- isoxazolyl)-9- (methylsulfonyl)...)
Show SMILES Cc1noc(C)c1-c1cc(C(N)=O)c2n(c3cc(ccc3c2c1)C(=O)N1CNC(=O)C1)S(C)(=O)=O
Show InChI InChI=1S/C23H21N5O6S/c1-11-20(12(2)34-26-11)14-6-16-15-5-4-13(23(31)27-9-19(29)25-10-27)8-18(15)28(35(3,32)33)21(16)17(7-14)22(24)30/h4-8H,9-10H2,1-3H3,(H2,24,30)(H,25,29)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The binding of compounds to bromodomain BRD4 (44-168), BRD4 (333-460), and BRD4 (1-477 or 44-460) was assessed using a time resolved fluorescent reso...


US Patent US10196387 (2019)


BindingDB Entry DOI: 10.7270/Q29S1T30
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM243283
PNG
(US10053454, Example 27 | US10196387, Example 27)
Show SMILES Cc1noc(C)c1-c1cc(C(N)=O)c2n(CC3CC3)c3cc(NC(=O)OC(C)(C)C)ccc3c2c1
Show InChI InChI=1S/C27H30N4O4/c1-14-23(15(2)35-30-14)17-10-20-19-9-8-18(29-26(33)34-27(3,4)5)12-22(19)31(13-16-6-7-16)24(20)21(11-17)25(28)32/h8-12,16H,6-7,13H2,1-5H3,(H2,28,32)(H,29,33)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The binding of compounds to bromodomain BRD4 (44-168), BRD4 (333-460), and BRD4 (1-477 or 44-460) was assessed using a time resolved fluorescent reso...


US Patent US10196387 (2019)


BindingDB Entry DOI: 10.7270/Q29S1T30
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM243284
PNG
(US10053454, Example 28 | US10196387, Example 28)
Show SMILES Cc1noc(C)c1-c1cc(C(N)=O)c2n(CC3CC3)c3cc(N)ccc3c2c1
Show InChI InChI=1S/C22H22N4O2/c1-11-20(12(2)28-25-11)14-7-17-16-6-5-15(23)9-19(16)26(10-13-3-4-13)21(17)18(8-14)22(24)27/h5-9,13H,3-4,10,23H2,1-2H3,(H2,24,27)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The binding of compounds to bromodomain BRD4 (44-168), BRD4 (333-460), and BRD4 (1-477 or 44-460) was assessed using a time resolved fluorescent reso...


US Patent US10196387 (2019)


BindingDB Entry DOI: 10.7270/Q29S1T30
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM243285
PNG
(US10053454, Example 29 | US10196387, Example 29)
Show SMILES CC(=O)Nc1ccc2c(c1)n(CC1CC1)c1c(cc(cc21)-c1c(C)noc1C)C(N)=O
Show InChI InChI=1S/C24H24N4O3/c1-12-22(13(2)31-27-12)16-8-19-18-7-6-17(26-14(3)29)10-21(18)28(11-15-4-5-15)23(19)20(9-16)24(25)30/h6-10,15H,4-5,11H2,1-3H3,(H2,25,30)(H,26,29)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The binding of compounds to bromodomain BRD4 (44-168), BRD4 (333-460), and BRD4 (1-477 or 44-460) was assessed using a time resolved fluorescent reso...


US Patent US10196387 (2019)


BindingDB Entry DOI: 10.7270/Q29S1T30
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM243286
PNG
(US10053454, Example 30 | US10196387, Example 30)
Show SMILES Cc1noc(C)c1-c1cc(C(N)=O)c2n(CC3CC3)c3cc(ccc3c2c1)N(c1nccs1)c1nccs1
Show InChI InChI=1S/C28H24N6O2S2/c1-15-24(16(2)36-32-15)18-11-21-20-6-5-19(34(27-30-7-9-37-27)28-31-8-10-38-28)13-23(20)33(14-17-3-4-17)25(21)22(12-18)26(29)35/h5-13,17H,3-4,14H2,1-2H3,(H2,29,35)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The binding of compounds to bromodomain BRD4 (44-168), BRD4 (333-460), and BRD4 (1-477 or 44-460) was assessed using a time resolved fluorescent reso...


US Patent US10196387 (2019)


BindingDB Entry DOI: 10.7270/Q29S1T30
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM243287
PNG
(US10053454, Example 31 | US10196387, Example 31)
Show SMILES CCNC(=O)Nc1ccc2c(c1)n(CC1CC1)c1c(cc(cc21)-c1c(C)noc1C)C(N)=O
Show InChI InChI=1S/C25H27N5O3/c1-4-27-25(32)28-17-7-8-18-19-9-16(22-13(2)29-33-14(22)3)10-20(24(26)31)23(19)30(21(18)11-17)12-15-5-6-15/h7-11,15H,4-6,12H2,1-3H3,(H2,26,31)(H2,27,28,32)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The binding of compounds to bromodomain BRD4 (44-168), BRD4 (333-460), and BRD4 (1-477 or 44-460) was assessed using a time resolved fluorescent reso...


US Patent US10196387 (2019)


BindingDB Entry DOI: 10.7270/Q29S1T30
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM243289
PNG
(US10053454, Example 33 | US10196387, Example 33)
Show SMILES COC(=O)Nc1ccc2c(c1)n(CC1CC1)c1c(cc(cc21)-c1c(C)noc1C)C(N)=O
Show InChI InChI=1S/C24H24N4O4/c1-12-21(13(2)32-27-12)15-8-18-17-7-6-16(26-24(30)31-3)10-20(17)28(11-14-4-5-14)22(18)19(9-15)23(25)29/h6-10,14H,4-5,11H2,1-3H3,(H2,25,29)(H,26,30)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The binding of compounds to bromodomain BRD4 (44-168), BRD4 (333-460), and BRD4 (1-477 or 44-460) was assessed using a time resolved fluorescent reso...


US Patent US10196387 (2019)


BindingDB Entry DOI: 10.7270/Q29S1T30
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM243290
PNG
(US10053454, Example 34 | US10196387, Example 34)
Show SMILES Cc1noc(C)c1-c1cc(C(N)=O)c2n(CC3CC3)c3cc(Br)ccc3c2c1
Show InChI InChI=1S/C22H20BrN3O2/c1-11-20(12(2)28-25-11)14-7-17-16-6-5-15(23)9-19(16)26(10-13-3-4-13)21(17)18(8-14)22(24)27/h5-9,13H,3-4,10H2,1-2H3,(H2,24,27)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The binding of compounds to bromodomain BRD4 (44-168), BRD4 (333-460), and BRD4 (1-477 or 44-460) was assessed using a time resolved fluorescent reso...


US Patent US10196387 (2019)


BindingDB Entry DOI: 10.7270/Q29S1T30
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM243291
PNG
(US10053454, Example 35 | US10196387, Example 35)
Show SMILES Cc1noc(C)c1-c1cc(C(N)=O)c2n(CC3CC3)c3cc(Br)c(Br)cc3c2c1
Show InChI InChI=1S/C22H19Br2N3O2/c1-10-20(11(2)29-26-10)13-5-15-14-7-17(23)18(24)8-19(14)27(9-12-3-4-12)21(15)16(6-13)22(25)28/h5-8,12H,3-4,9H2,1-2H3,(H2,25,28)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The binding of compounds to bromodomain BRD4 (44-168), BRD4 (333-460), and BRD4 (1-477 or 44-460) was assessed using a time resolved fluorescent reso...


US Patent US10196387 (2019)


BindingDB Entry DOI: 10.7270/Q29S1T30
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM243292
PNG
(US10053454, Example 36 | US10196387, Example 36)
Show SMILES Cc1noc(C)c1-c1cc(C(N)=O)c2n(CC3CC3)c3cc(ccc3c2c1)-c1ccncc1
Show InChI InChI=1S/C27H24N4O2/c1-15-25(16(2)33-30-15)20-11-22-21-6-5-19(18-7-9-29-10-8-18)13-24(21)31(14-17-3-4-17)26(22)23(12-20)27(28)32/h5-13,17H,3-4,14H2,1-2H3,(H2,28,32)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The binding of compounds to bromodomain BRD4 (44-168), BRD4 (333-460), and BRD4 (1-477 or 44-460) was assessed using a time resolved fluorescent reso...


US Patent US10196387 (2019)


BindingDB Entry DOI: 10.7270/Q29S1T30
More data for this
Ligand-Target Pair
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