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Patent code US10053454

Compile Data Set for Download or QSAR
Found 88 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
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 US10053454 (2018)

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 US10053454 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM243276
PNG
(US10053454, 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 US10053454 (2018)

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 US10053454 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM243261
PNG
(US10053454, 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 US10053454 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM243296
PNG
(US10053454, 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 US10053454 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM243334
PNG
(US10053454, 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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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 US10053454 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM243262
PNG
(US10053454, 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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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 US10053454 (2018)

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 US10053454 (2018)

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 US10053454 (2018)

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)
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 US10053454 (2018)

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)
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 US10053454 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM243310
PNG
(US10053454, 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)
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 US10053454 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM243311
PNG
(US10053454, 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)
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 US10053454 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM243327
PNG
(US10053454, 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)
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 US10053454 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM243343
PNG
(US10053454, 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)
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 US10053454 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM243260
PNG
(US10053454, 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)
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 US10053454 (2018)

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)
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 US10053454 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM243294
PNG
(US10053454, 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)
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 US10053454 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM243299
PNG
(US10053454, 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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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 US10053454 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM243305
PNG
(US10053454, 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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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 US10053454 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM243332
PNG
(US10053454, 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
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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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 US10053454 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM243258
PNG
(US10053454, 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
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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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 US10053454 (2018)

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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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 US10053454 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM243300
PNG
(US10053454, 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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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 US10053454 (2018)

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 US10053454 (2018)

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)
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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 US10053454 (2018)

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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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 US10053454 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM243308
PNG
(US10053454, 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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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 US10053454 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM243336
PNG
(US10053454, 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 US10053454 (2018)

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 US10053454 (2018)

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)
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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 US10053454 (2018)

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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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 US10053454 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM243342
PNG
(US10053454, 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
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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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 US10053454 (2018)

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)
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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 US10053454 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM243337
PNG
(US10053454, 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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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 US10053454 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM243344
PNG
(US10053454, 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
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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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 US10053454 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM243291
PNG
(US10053454, 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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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 US10053454 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM243333
PNG
(US10053454, Example 77)
Show SMILES Cc1noc(C)c1-c1cc(C(N)=O)c2n(c3ccc(cc3c2c1)S(C)(=O)=O)S(=O)(=O)C1CC1
Show InChI InChI=1S/C22H21N3O6S2/c1-11-20(12(2)31-24-11)13-8-17-16-10-15(32(3,27)28)6-7-19(16)25(33(29,30)14-4-5-14)21(17)18(9-13)22(23)26/h6-10,14H,4-5H2,1-3H3,(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 US10053454 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM243292
PNG
(US10053454, 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 US10053454 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM243323
PNG
(US10053454, Example 67)
Show SMILES CCn1c2cc(ccc2c2cc(cc(C(N)=S)c12)-c1c(C)noc1C)C(=O)N1CCOCC1
Show InChI InChI=1S/C25H26N4O3S/c1-4-29-21-13-16(25(30)28-7-9-31-10-8-28)5-6-18(21)19-11-17(12-20(23(19)29)24(26)33)22-14(2)27-32-15(22)3/h5-6,11-13H,4,7-10H2,1-3H3,(H2,26,33)
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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 US10053454 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM243306
PNG
(US10053454, Example 50)
Show SMILES Cc1noc(C)c1-c1cc(C(N)=O)c2n(CC3CC3)c3cc(OC(=O)N4CCOCC4)ccc3c2c1
Show InChI InChI=1S/C27H28N4O5/c1-15-24(16(2)36-29-15)18-11-21-20-6-5-19(35-27(33)30-7-9-34-10-8-30)13-23(20)31(14-17-3-4-17)25(21)22(12-18)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 US10053454 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM243295
PNG
(US10053454, Example 39)
Show SMILES Cc1noc(C)c1-c1cc(C(N)=O)c2n(CC3CC3)c3cc(NCC4CCCC4)ccc3c2c1
Show InChI InChI=1S/C28H32N4O2/c1-16-26(17(2)34-31-16)20-11-23-22-10-9-21(30-14-18-5-3-4-6-18)13-25(22)32(15-19-7-8-19)27(23)24(12-20)28(29)33/h9-13,18-19,30H,3-8,14-15H2,1-2H3,(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 US10053454 (2018)

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 US10053454 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM243338
PNG
(US10053454, Example 82)
Show SMILES Cc1noc(C)c1-c1cc(C(=O)NCC2CC2)c2n(CC3CC3)c3cccc(c3c2c1)S(C)(=O)=O
Show InChI InChI=1S/C27H29N3O4S/c1-15-24(16(2)34-29-15)19-11-20-25-22(5-4-6-23(25)35(3,32)33)30(14-18-9-10-18)26(20)21(12-19)27(31)28-13-17-7-8-17/h4-6,11-12,17-18H,7-10,13-14H2,1-3H3,(H,28,31)
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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 US10053454 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM243313
PNG
(US10053454, Example 57)
Show SMILES C[C@H]1CN(C[C@@H](C)O1)C(=O)c1ccc2c(c1)n(CC1CC1)c1c(cc(cc21)-c1cnoc1C)C(N)=O
Show InChI InChI=1S/C28H30N4O4/c1-15-12-31(13-16(2)35-15)28(34)19-6-7-21-22-8-20(24-11-30-36-17(24)3)9-23(27(29)33)26(22)32(25(21)10-19)14-18-4-5-18/h6-11,15-16,18H,4-5,12-14H2,1-3H3,(H2,29,33)/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 US10053454 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM243302
PNG
(US10053454, Example 46)
Show SMILES Cc1noc(C)c1-c1cc(C(N)=O)c2n(CC3CC3)c3cc(CO)ccc3c2c1
Show InChI InChI=1S/C23H23N3O3/c1-12-21(13(2)29-25-12)16-8-18-17-6-5-15(11-27)7-20(17)26(10-14-3-4-14)22(18)19(9-16)23(24)28/h5-9,14,27H,3-4,10-11H2,1-2H3,(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 US10053454 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM243298
PNG
(US10053454, Example 42)
Show SMILES Cc1noc(C)c1-c1cc(C(N)=O)c2n(CC3CC3)c3cc(ccc3c2c1)N1CCCCC1=O
Show InChI InChI=1S/C27H28N4O3/c1-15-25(16(2)34-29-15)18-11-21-20-9-8-19(30-10-4-3-5-24(30)32)13-23(20)31(14-17-6-7-17)26(21)22(12-18)27(28)33/h8-9,11-13,17H,3-7,10,14H2,1-2H3,(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 US10053454 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM243293
PNG
(US10053454, Example 37)
Show SMILES CNc1ccc2c(c1)n(CC1CC1)c1c(cc(cc21)-c1c(C)noc1C)C(N)=O
Show InChI InChI=1S/C23H24N4O2/c1-12-21(13(2)29-26-12)15-8-18-17-7-6-16(25-3)10-20(17)27(11-14-4-5-14)22(18)19(9-15)23(24)28/h6-10,14,25H,4-5,11H2,1-3H3,(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 US10053454 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM243285
PNG
(US10053454, 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)
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 US10053454 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM243257
PNG
(US10053454, 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)
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 US10053454 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM243340
PNG
(US10053454, Example 84)
Show SMILES C[C@H]1CN(C[C@@H](C)O1)C(=O)c1ccc2c(c1)n(CC1CC1)c1c(cc(cc21)B1OC(C)(C)C(C)(C)O1)C(N)=O
Show InChI InChI=1S/C30H38BN3O5/c1-17-14-33(15-18(2)37-17)28(36)20-9-10-22-23-12-21(31-38-29(3,4)30(5,6)39-31)13-24(27(32)35)26(23)34(25(22)11-20)16-19-7-8-19/h9-13,17-19H,7-8,14-16H2,1-6H3,(H2,32,35)/t17-,18+
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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 US10053454 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM243329
PNG
(US10053454, Example 73)
Show SMILES C[C@H]1CN(C[C@@H](C)O1)C(=O)c1cc(cc2n(c3c(cc(cc3c12)-c1c(C)noc1C)C(N)=O)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C27H27F3N4O6S/c1-12-10-33(11-13(2)39-12)26(36)19-8-17(27(28,29)30)9-21-23(19)18-6-16(22-14(3)32-40-15(22)4)7-20(25(31)35)24(18)34(21)41(5,37)38/h6-9,12-13H,10-11H2,1-5H3,(H2,31,35)/t12-,13+
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 US10053454 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM243259
PNG
(US10053454, 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)
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 US10053454 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM243284
PNG
(US10053454, 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 US10053454 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM243301
PNG
(US10053454, Example 45)
Show SMILES Cc1noc(C)c1-c1cc(C(N)=O)c2n(CC3CC3)c3cc(ccc3c2c1)N1CCOC1=O
Show InChI InChI=1S/C25H24N4O4/c1-13-22(14(2)33-27-13)16-9-19-18-6-5-17(28-7-8-32-25(28)31)11-21(18)29(12-15-3-4-15)23(19)20(10-16)24(26)30/h5-6,9-11,15H,3-4,7-8,12H2,1-2H3,(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 US10053454 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM243304
PNG
(US10053454, Example 48)
Show SMILES Cc1noc(C)c1-c1cc(C(N)=O)c2n(CC3CC3)c3cc(O)ccc3c2c1
Show InChI InChI=1S/C22H21N3O3/c1-11-20(12(2)28-24-11)14-7-17-16-6-5-15(26)9-19(16)25(10-13-3-4-13)21(17)18(8-14)22(23)27/h5-9,13,26H,3-4,10H2,1-2H3,(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 US10053454 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM243286
PNG
(US10053454, 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 US10053454 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM243287
PNG
(US10053454, 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 US10053454 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM243309
PNG
(US10053454, Example 53)
Show SMILES Cc1noc(C)c1-c1cc(C(N)=O)c2n(CC3CC3)c3cc(ccc3c2c1)C(C)(C)O
Show InChI InChI=1S/C25H27N3O3/c1-13-22(14(2)31-27-13)16-9-19-18-8-7-17(25(3,4)30)11-21(18)28(12-15-5-6-15)23(19)20(10-16)24(26)29/h7-11,15,30H,5-6,12H2,1-4H3,(H2,26,29)
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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 US10053454 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM243331
PNG
(US10053454, Example 75)
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(=O)(=O)C1CC1
Show InChI InChI=1S/C29H29F3N4O7S/c1-13-11-35(12-14(2)41-13)28(38)21-9-18(42-29(30,31)32)10-23-25(21)20-7-17(24-15(3)34-43-16(24)4)8-22(27(33)37)26(20)36(23)44(39,40)19-5-6-19/h7-10,13-14,19H,5-6,11-12H2,1-4H3,(H2,33,37)/t13-,14+
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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 US10053454 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM243335
PNG
(US10053454, Example 79)
Show SMILES Cc1noc(C)c1-c1cc(C(N)=O)c2n(c3cc(ccc3c2c1)S(C)(=O)=O)S(=O)(=O)C1CC1
Show InChI InChI=1S/C22H21N3O6S2/c1-11-20(12(2)31-24-11)13-8-17-16-7-6-15(32(3,27)28)10-19(16)25(33(29,30)14-4-5-14)21(17)18(9-13)22(23)26/h6-10,14H,4-5H2,1-3H3,(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 US10053454 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM243339
PNG
(US10053454, Example 83)
Show SMILES C[C@H]1CN(C[C@@H](C)O1)C(=O)c1ccc2c(c1)n(CC1CC1)c1c(cc(cc21)-c1c(C)n[nH]c1C)C(N)=O
Show InChI InChI=1S/C29H33N5O3/c1-15-12-33(13-16(2)37-15)29(36)20-7-8-22-23-9-21(26-17(3)31-32-18(26)4)10-24(28(30)35)27(23)34(25(22)11-20)14-19-5-6-19/h7-11,15-16,19H,5-6,12-14H2,1-4H3,(H2,30,35)(H,31,32)/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 US10053454 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM243290
PNG
(US10053454, 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 US10053454 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM243307
PNG
(US10053454, Example 51)
Show SMILES Cc1noc(C)c1-c1cc(C(N)=O)c2n(CC3CC3)c3cc(CN4CCOCC4)ccc3c2c1
Show InChI InChI=1S/C27H30N4O3/c1-16-25(17(2)34-29-16)20-12-22-21-6-5-19(14-30-7-9-33-10-8-30)11-24(21)31(15-18-3-4-18)26(22)23(13-20)27(28)32/h5-6,11-13,18H,3-4,7-10,14-15H2,1-2H3,(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 US10053454 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM243325
PNG
(US10053454, Example 69)
Show SMILES Cc1noc(C)c1-c1cc(-c2nc[nH]n2)c2[nH]c3cc(ccc3c2c1)C(=O)N1CCOCC1
Show InChI InChI=1S/C24H20N6O3/c1-13-21(14(2)33-29-13)16-9-18-17-4-3-15(24(31)30-5-7-32-8-6-30)11-20(17)27-22(18)19(10-16)23-25-12-26-28-23/h3-4,9-12H,5-8H2,1-2H3/b23-19-
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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 US10053454 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM243328
PNG
(US10053454, Example 72)
Show SMILES COc1ccc2n(c3c(cc(cc3c2c1)-c1c(C)noc1C)C(N)=O)S(C)(=O)=O
Show InChI InChI=1S/C20H19N3O5S/c1-10-18(11(2)28-22-10)12-7-15-14-9-13(27-3)5-6-17(14)23(29(4,25)26)19(15)16(8-12)20(21)24/h5-9H,1-4H3,(H2,21,24)
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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 US10053454 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM243330
PNG
(US10053454, Example 74)
Show SMILES C[C@H]1CN(C[C@@H](C)O1)C(=O)c1cc(cc2n(c3c(cc(cc3c12)-c1c(C)noc1C)C(N)=O)S(=O)(=O)C1CC1)C(F)(F)F
Show InChI InChI=1S/C29H29F3N4O6S/c1-13-11-35(12-14(2)41-13)28(38)21-9-18(29(30,31)32)10-23-25(21)20-7-17(24-15(3)34-42-16(24)4)8-22(27(33)37)26(20)36(23)43(39,40)19-5-6-19/h7-10,13-14,19H,5-6,11-12H2,1-4H3,(H2,33,37)/t13-,14+
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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 US10053454 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM243341
PNG
(US10053454, Example 85)
Show SMILES C[C@H]1CN(C[C@@H](C)O1)C(=O)c1ccc2c(c1)n(CC1CC1)c1c(cc(cc21)-c1c(C)noc1C)-c1nnc[nH]1
Show InChI InChI=1S/C30H32N6O3/c1-16-12-35(13-17(2)38-16)30(37)21-7-8-23-24-9-22(27-18(3)34-39-19(27)4)10-25(29-31-15-32-33-29)28(24)36(26(23)11-21)14-20-5-6-20/h7-11,15-17,20H,5-6,12-14H2,1-4H3,(H,31,32,33)/t16-,17+
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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 US10053454 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM243283
PNG
(US10053454, 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 US10053454 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM243312
PNG
(US10053454, Example 56)
Show SMILES C[C@H]1CN(C[C@@H](C)O1)C(=O)c1ccc2c(c1)n(CC1CC1)c1c(cc(cc21)-c1conc1C)C(N)=O
Show InChI InChI=1S/C28H30N4O4/c1-15-11-31(12-16(2)36-15)28(34)19-6-7-21-22-8-20(24-14-35-30-17(24)3)9-23(27(29)33)26(22)32(25(21)10-19)13-18-4-5-18/h6-10,14-16,18H,4-5,11-13H2,1-3H3,(H2,29,33)/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 US10053454 (2018)

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 US10053454 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM243289
PNG
(US10053454, 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 US10053454 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM243303
PNG
(US10053454, Example 47)
Show SMILES Cc1noc(C)c1-c1cc(C(N)=O)c2n(CC3CC3)c3cc(C=O)ccc3c2c1
Show InChI InChI=1S/C23H21N3O3/c1-12-21(13(2)29-25-12)16-8-18-17-6-5-15(11-27)7-20(17)26(10-14-3-4-14)22(18)19(9-16)23(24)28/h5-9,11,14H,3-4,10H2,1-2H3,(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 US10053454 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM243319
PNG
(US10053454, Example 63)
Show SMILES Cc1noc(C)c1-c1cc(C(N)=S)c2[nH]c3cc(ccc3c2c1)C(=S)N1CCOCC1
Show InChI InChI=1S/C23H22N4O2S2/c1-12-20(13(2)29-26-12)15-9-17-16-4-3-14(23(31)27-5-7-28-8-6-27)11-19(16)25-21(17)18(10-15)22(24)30/h3-4,9-11,25H,5-8H2,1-2H3,(H2,24,30)
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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 US10053454 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM243288
PNG
(US10053454, Example 32)
Show SMILES CCOC(=O)Nc1ccc2c(c1)n(CC1CC1)c1c(cc(cc21)-c1c(C)noc1C)C(N)=O
Show InChI InChI=1S/C25H26N4O4/c1-4-32-25(31)27-17-7-8-18-19-9-16(22-13(2)28-33-14(22)3)10-20(24(26)30)23(19)29(21(18)11-17)12-15-5-6-15/h7-11,15H,4-6,12H2,1-3H3,(H2,26,30)(H,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 US10053454 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM243271
PNG
(3-(3,5-dimethyl-4- isoxazolyl)-7-((1,1-dioxido- 4-...)
Show SMILES Cc1noc(C)c1-c1cc(C(N)=O)c2n(c3cc(ccc3c2c1)C(=O)N1CCS(=O)(=O)CC1)S(C)(=O)=O
Show InChI InChI=1S/C24H24N4O7S2/c1-13-21(14(2)35-26-13)16-10-18-17-5-4-15(24(30)27-6-8-37(33,34)9-7-27)12-20(17)28(36(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 US10053454 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM243324
PNG
(US10053454, Example 68)
Show SMILES Cc1noc(C)c1-c1cc(C(N)=S)c2n(CC3CC3)c3cc(ccc3c2c1)C(=O)N1CCOCC1
Show InChI InChI=1S/C27H28N4O3S/c1-15-24(16(2)34-29-15)19-11-21-20-6-5-18(27(32)30-7-9-33-10-8-30)13-23(20)31(14-17-3-4-17)25(21)22(12-19)26(28)35/h5-6,11-13,17H,3-4,7-10,14H2,1-2H3,(H2,28,35)
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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 US10053454 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM243317
PNG
(US10053454, Example 61)
Show SMILES CCNC(=O)n1c2cc(ccc2c2cc(cc(C(N)=O)c12)-c1c(C)noc1C)C(=O)N1C[C@H](C)O[C@H](C)C1
Show InChI InChI=1S/C28H31N5O5/c1-6-30-28(36)33-23-11-18(27(35)32-12-14(2)37-15(3)13-32)7-8-20(23)21-9-19(10-22(25(21)33)26(29)34)24-16(4)31-38-17(24)5/h7-11,14-15H,6,12-13H2,1-5H3,(H2,29,34)(H,30,36)/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 US10053454 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM243315
PNG
(US10053454, Example 59)
Show SMILES Cc1noc(C)c1-c1cc(C#N)c2n(CC3CC3)c3cc(ccc3c2c1)C(=O)N1CCOCC1
Show InChI InChI=1S/C27H26N4O3/c1-16-25(17(2)34-29-16)20-11-21(14-28)26-23(12-20)22-6-5-19(27(32)30-7-9-33-10-8-30)13-24(22)31(26)15-18-3-4-18/h5-6,11-13,18H,3-4,7-10,15H2,1-2H3
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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 US10053454 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM243322
PNG
(US10053454, Example 66)
Show SMILES Cc1csc(n1)-c1cc(cc2c3ccc(cc3[nH]c12)C(=S)N1CCOCC1)-c1c(C)noc1C
Show InChI InChI=1S/C26H24N4O2S2/c1-14-13-34-25(27-14)21-11-18(23-15(2)29-32-16(23)3)10-20-19-5-4-17(12-22(19)28-24(20)21)26(33)30-6-8-31-9-7-30/h4-5,10-13,28H,6-9H2,1-3H3
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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 US10053454 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM243316
PNG
(US10053454, Example 60)
Show SMILES C[C@H]1CN(C[C@@H](C)O1)C(=O)c1ccc2c(c1)n(C(C)=O)c1c(cc(cc21)-c1c(C)noc1C)C(N)=O
Show InChI InChI=1S/C27H28N4O5/c1-13-11-30(12-14(2)35-13)27(34)18-6-7-20-21-8-19(24-15(3)29-36-16(24)4)9-22(26(28)33)25(21)31(17(5)32)23(20)10-18/h6-10,13-14H,11-12H2,1-5H3,(H2,28,33)/t13-,14+
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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 US10053454 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM243314
PNG
(US10053454, Example 58)
Show SMILES Cc1noc(C)c1-c1cc(C#N)c2[nH]c3cc(ccc3c2c1)C(=O)N1CCOCC1
Show InChI InChI=1S/C23H20N4O3/c1-13-21(14(2)30-26-13)16-9-17(12-24)22-19(10-16)18-4-3-15(11-20(18)25-22)23(28)27-5-7-29-8-6-27/h3-4,9-11,25H,5-8H2,1-2H3
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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 US10053454 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM243297
PNG
(US10053454, Example 41)
Show SMILES Cc1noc(C)c1-c1cc(C(N)=O)c2n(CC3CC3)c3cc(ccc3c2c1)N1CCOCC1
Show InChI InChI=1S/C26H28N4O3/c1-15-24(16(2)33-28-15)18-11-21-20-6-5-19(29-7-9-32-10-8-29)13-23(20)30(14-17-3-4-17)25(21)22(12-18)26(27)31/h5-6,11-13,17H,3-4,7-10,14H2,1-2H3,(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 US10053454 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM243318
PNG
(US10053454, Example 62)
Show SMILES Cc1cnc(o1)-c1cc(cc2c3ccc(cc3[nH]c12)C(=O)N1CCOCC1)-c1c(C)noc1C
Show InChI InChI=1S/C26H24N4O4/c1-14-13-27-25(33-14)21-11-18(23-15(2)29-34-16(23)3)10-20-19-5-4-17(12-22(19)28-24(20)21)26(31)30-6-8-32-9-7-30/h4-5,10-13,28H,6-9H2,1-3H3
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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 US10053454 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM243326
PNG
(US10053454, Example 70)
Show SMILES Cc1noc(C)c1-c1cc(-c2nc[nH]n2)c2n(CC3CC3)c3cc(ccc3c2c1)C(=O)N1CCOCC1
Show InChI InChI=1S/C28H28N6O3/c1-16-25(17(2)37-32-16)20-11-22-21-6-5-19(28(35)33-7-9-36-10-8-33)13-24(21)34(14-18-3-4-18)26(22)23(12-20)27-29-15-30-31-27/h5-6,11-13,15,18H,3-4,7-10,14H2,1-2H3,(H,29,30,31)
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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 US10053454 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM243321
PNG
(US10053454, Example 65)
Show SMILES Cc1csc(n1)-c1cc(cc2c3ccc(cc3[nH]c12)C(=O)N1CCOCC1)-c1c(C)noc1C
Show InChI InChI=1S/C26H24N4O3S/c1-14-13-34-25(27-14)21-11-18(23-15(2)29-33-16(23)3)10-20-19-5-4-17(12-22(19)28-24(20)21)26(31)30-6-8-32-9-7-30/h4-5,10-13,28H,6-9H2,1-3H3
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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 US10053454 (2018)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM243320
PNG
(US10053454, Example 64)
Show SMILES Cc1noc(C)c1-c1cc(C(N)=S)c2[nH]c3cc(ccc3c2c1)C(=O)N1CCOCC1
Show InChI InChI=1S/C23H22N4O3S/c1-12-20(13(2)30-26-12)15-9-17-16-4-3-14(23(28)27-5-7-29-8-6-27)11-19(16)25-21(17)18(10-15)22(24)31/h3-4,9-11,25H,5-8H2,1-2H3,(H2,24,31)
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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 US10053454 (2018)

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