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Compile Data Set for Download or QSAR

Found 371 hits Enz. Inhib. hit(s) with Target = 'Bromodomain BRD4' AND taxid = 9606   
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 BRD4


(Homo sapiens (Human))
BDBM331356
PNG
(4-[5-(Dimethyl-1H-1,2,3-triazol-5-yl)-8-[(S)-oxan-...)
Show SMILES CC1CN(CC(C)S1(=O)=O)c1ccc2c(n1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(cnc21)-c1c(C)nnn1C
Show InChI InChI=1S/C32H37N7O3S/c1-20-18-38(19-21(2)43(20,40)41)28-11-10-26-29-27(16-25(17-33-29)30-22(3)35-36-37(30)4)39(32(26)34-28)31(23-8-6-5-7-9-23)24-12-14-42-15-13-24/h5-11,16-17,20-21,24,31H,12-15,18-19H2,1-4H3/t20?,21?,31-/m1/s1
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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 US9725449 (2017)

More data for this
Ligand-Target Pair
Bromodomain BRD4


(Homo sapiens (Human))
BDBM331379
PNG
(4-[5-(Dimethyl-1H-1,2,3-triazol-5-yl)-8-[(S)-oxan-...)
Show SMILES CC1CN(CCS1(=O)=O)c1ccc2c(n1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(cnc21)-c1c(C)nnn1C
Show InChI InChI=1S/C31H35N7O3S/c1-20-19-37(13-16-42(20,39)40)27-10-9-25-28-26(17-24(18-32-28)29-21(2)34-35-36(29)3)38(31(25)33-27)30(22-7-5-4-6-8-22)23-11-14-41-15-12-23/h4-10,17-18,20,23,30H,11-16,19H2,1-3H3/t20?,30-/m1/s1
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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 US9725449 (2017)

More data for this
Ligand-Target Pair
Bromodomain BRD4


(Homo sapiens (Human))
BDBM331380
PNG
(5-[5-(Dimethyl-1H-1,2,3-triazol-5-yl)-8-[(S)-oxan-...)
Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1nc(ccc21)N1CC2CC1CS2(=O)=O
Show InChI InChI=1S/C31H33N7O3S/c1-19-29(36(2)35-34-19)22-14-26-28(32-16-22)25-8-9-27(37-17-24-15-23(37)18-42(24,39)40)33-31(25)38(26)30(20-6-4-3-5-7-20)21-10-12-41-13-11-21/h3-9,14,16,21,23-24,30H,10-13,15,17-18H2,1-2H3/t23?,24?,30-/m1/s1
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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 US9725449 (2017)

More data for this
Ligand-Target Pair
Bromodomain BRD4


(Homo sapiens (Human))
BDBM331379
PNG
(4-[5-(Dimethyl-1H-1,2,3-triazol-5-yl)-8-[(S)-oxan-...)
Show SMILES CC1CN(CCS1(=O)=O)c1ccc2c(n1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(cnc21)-c1c(C)nnn1C
Show InChI InChI=1S/C31H35N7O3S/c1-20-19-37(13-16-42(20,39)40)27-10-9-25-28-26(17-24(18-32-28)29-21(2)34-35-36(29)3)38(31(25)33-27)30(22-7-5-4-6-8-22)23-11-14-41-15-12-23/h4-10,17-18,20,23,30H,11-16,19H2,1-3H3/t20?,30-/m1/s1
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n/an/a<1n/an/an/an/an/an/a



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 US9725449 (2017)

More data for this
Ligand-Target Pair
Bromodomain BRD4


(Homo sapiens (Human))
BDBM331384
PNG
((2-{[5-(Dimethyl-1H-1,2,3-triazol-5-yl)-8-[(S)-oxa...)
Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1nc(NCCP(O)(O)=O)ccc21
Show InChI InChI=1S/C28H32N7O4P/c1-18-26(34(2)33-32-18)21-16-23-25(30-17-21)22-8-9-24(29-12-15-40(36,37)38)31-28(22)35(23)27(19-6-4-3-5-7-19)20-10-13-39-14-11-20/h3-9,16-17,20,27H,10-15H2,1-2H3,(H,29,31)(H2,36,37,38)/t27-/m1/s1
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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 US9725449 (2017)

More data for this
Ligand-Target Pair
Bromodomain BRD4


(Homo sapiens (Human))
BDBM331385
PNG
((2-{[5-(Dimethyl-1H-1,2,3-triazol-5-yl)-8-[(S)-oxa...)
Show SMILES CCOP(O)(=O)CCNc1ccc2c(n1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(cnc21)-c1c(C)nnn1C
Show InChI InChI=1S/C30H36N7O4P/c1-4-41-42(38,39)17-14-31-26-11-10-24-27-25(18-23(19-32-27)28-20(2)34-35-36(28)3)37(30(24)33-26)29(21-8-6-5-7-9-21)22-12-15-40-16-13-22/h5-11,18-19,22,29H,4,12-17H2,1-3H3,(H,31,33)(H,38,39)/t29-/m1/s1
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n/an/a<1n/an/an/an/an/an/a



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 US9725449 (2017)

More data for this
Ligand-Target Pair
Bromodomain BRD4


(Homo sapiens (Human))
BDBM331389
PNG
(2-[5-(Dimethyl-1,2-oxazol-4-yl)-8-[(S)-(4-fluoroph...)
Show SMILES Cc1noc(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccc(F)cc1)c1cc(ncc21)C(C)(C)O
Show InChI InChI=1S/C30H31FN4O3/c1-17-27(18(2)38-34-17)21-13-25-28(33-15-21)23-16-32-26(30(3,4)36)14-24(23)35(25)29(20-9-11-37-12-10-20)19-5-7-22(31)8-6-19/h5-8,13-16,20,29,36H,9-12H2,1-4H3/t29-/m1/s1
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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 US9725449 (2017)

More data for this
Ligand-Target Pair
Bromodomain BRD4


(Homo sapiens (Human))
BDBM331392
PNG
(5,11-Bis(dimethyl-1H-1,2,3-triazol-5-yl)-8-[(S)-(2...)
Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1F)c1nc(ccc21)-c1c(C)nnn1C
Show InChI InChI=1S/C30H30FN9O/c1-17-27(38(3)36-34-17)20-15-25-26(32-16-20)22-9-10-24(28-18(2)35-37-39(28)4)33-30(22)40(25)29(19-11-13-41-14-12-19)21-7-5-6-8-23(21)31/h5-10,15-16,19,29H,11-14H2,1-4H3/t29-/m0/s1
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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 US9725449 (2017)

More data for this
Ligand-Target Pair
Bromodomain BRD4


(Homo sapiens (Human))
BDBM331393
PNG
(5-(Dimethyl-1H-1,2,3-triazol-5-yl)-8-[(S)-(2-fluor...)
Show SMILES CNCCN(C)c1ccc2c(n1)n([C@@H](C1CCOCC1)c1ccccc1F)c1cc(cnc21)-c1c(C)nnn1C
Show InChI InChI=1S/C30H35FN8O/c1-19-28(38(4)36-35-19)21-17-25-27(33-18-21)23-9-10-26(37(3)14-13-32-2)34-30(23)39(25)29(20-11-15-40-16-12-20)22-7-5-6-8-24(22)31/h5-10,17-18,20,29,32H,11-16H2,1-4H3/t29-/m0/s1
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n/an/a<1n/an/an/an/an/an/a



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 US9725449 (2017)

More data for this
Ligand-Target Pair
Bromodomain BRD4


(Homo sapiens (Human))
BDBM331393
PNG
(5-(Dimethyl-1H-1,2,3-triazol-5-yl)-8-[(S)-(2-fluor...)
Show SMILES CNCCN(C)c1ccc2c(n1)n([C@@H](C1CCOCC1)c1ccccc1F)c1cc(cnc21)-c1c(C)nnn1C
Show InChI InChI=1S/C30H35FN8O/c1-19-28(38(4)36-35-19)21-17-25-27(33-18-21)23-9-10-26(37(3)14-13-32-2)34-30(23)39(25)29(20-11-15-40-16-12-20)22-7-5-6-8-24(22)31/h5-10,17-18,20,29,32H,11-16H2,1-4H3/t29-/m0/s1
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n/an/a<1n/an/an/an/an/an/a



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 US9725449 (2017)

More data for this
Ligand-Target Pair
Bromodomain BRD4


(Homo sapiens (Human))
BDBM331402
PNG
(11-[(2R,6S)-2,6-Dimethylmorpholin-4-yl]-8-[(S)-(2-...)
Show SMILES C[C@H]1CN(C[C@@H](C)O1)c1ccc2c(n1)n([C@@H](C1CCOCC1)c1ccccc1F)c1cc(cnc21)-c1c(C)nnn1C
Show InChI InChI=1S/C32H36FN7O2/c1-19-17-39(18-20(2)42-19)28-10-9-25-29-27(15-23(16-34-29)30-21(3)36-37-38(30)4)40(32(25)35-28)31(22-11-13-41-14-12-22)24-7-5-6-8-26(24)33/h5-10,15-16,19-20,22,31H,11-14,17-18H2,1-4H3/t19-,20+,31-/m0/s1
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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 US9725449 (2017)

More data for this
Ligand-Target Pair
Bromodomain BRD4


(Homo sapiens (Human))
BDBM331412
PNG
(8-[(3-Fluoropyridin-2-yl)(oxan-4-yl)methyl]-5,11-b...)
Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n(C(C1CCOCC1)c1ncccc1F)c1nc(ccc21)-c1c(C)nnn1C
Show InChI InChI=1S/C29H29FN10O/c1-16-26(38(3)36-34-16)19-14-23-24(32-15-19)20-7-8-22(27-17(2)35-37-39(27)4)33-29(20)40(23)28(18-9-12-41-13-10-18)25-21(30)6-5-11-31-25/h5-8,11,14-15,18,28H,9-10,12-13H2,1-4H3
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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 US9725449 (2017)

More data for this
Ligand-Target Pair
Bromodomain BRD4


(Homo sapiens (Human))
BDBM331417
PNG
(11-[(3R,5S)-3,5-Dimethylpiperazin-1-yl]-5-[4-(2H3)...)
Show SMILES C[C@H]1CN(C[C@@H](C)N1)c1ccc2c(n1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(cnc21)-c1c(C)nnn1C
Show InChI InChI=1S/C32H38N8O/c1-20-18-39(19-21(2)34-20)28-11-10-26-29-27(16-25(17-33-29)30-22(3)36-37-38(30)4)40(32(26)35-28)31(23-8-6-5-7-9-23)24-12-14-41-15-13-24/h5-11,16-17,20-21,24,31,34H,12-15,18-19H2,1-4H3/t20-,21+,31-/m1/s1
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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 US9725449 (2017)

More data for this
Ligand-Target Pair
Bromodomain BRD4


(Homo sapiens (Human))
BDBM331419
PNG
(8-[(S)-(2-Fluorophenyl)(oxan-4-yl)methyl]-5-(4-met...)
Show SMILES COc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1F)c1nc(ccc21)N1CCN(C)CC1
Show InChI InChI=1S/C31H35FN8O2/c1-37-12-14-39(15-13-37)26-9-8-23-27-25(18-21(19-33-27)29-31(41-3)35-36-38(29)2)40(30(23)34-26)28(20-10-16-42-17-11-20)22-6-4-5-7-24(22)32/h4-9,18-20,28H,10-17H2,1-3H3/t28-/m0/s1
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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 US9725449 (2017)

More data for this
Ligand-Target Pair
Bromodomain BRD4


(Homo sapiens (Human))
BDBM331422
PNG
(N-[2-(Dimethylamino)ethyl]-N-ethyl-8-[(S)-(2-fluor...)
Show SMILES CCN(CCN(C)C)c1ccc2c(n1)n([C@@H](C1CCOCC1)c1ccccc1F)c1cc(cnc21)-c1c(OC)nnn1C
Show InChI InChI=1S/C32H39FN8O2/c1-6-40(16-15-38(2)3)27-12-11-24-28-26(19-22(20-34-28)30-32(42-5)36-37-39(30)4)41(31(24)35-27)29(21-13-17-43-18-14-21)23-9-7-8-10-25(23)33/h7-12,19-21,29H,6,13-18H2,1-5H3/t29-/m0/s1
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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 US9725449 (2017)

More data for this
Ligand-Target Pair
Bromodomain BRD4


(Homo sapiens (Human))
BDBM331429
PNG
(8-[(4,4-Difluorocyclohexyl)(phenyl)methyl]-5-(dime...)
Show SMILES CN1CCN(CC1)c1ccc2c(n1)n(C(C1CCC(F)(F)CC1)c1ccccc1)c1cc(cnc21)-c1c(C)nnn1C
Show InChI InChI=1S/C32H36F2N8/c1-21-29(40(3)38-37-21)24-19-26-28(35-20-24)25-9-10-27(41-17-15-39(2)16-18-41)36-31(25)42(26)30(22-7-5-4-6-8-22)23-11-13-32(33,34)14-12-23/h4-10,19-20,23,30H,11-18H2,1-3H3
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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 US9725449 (2017)

More data for this
Ligand-Target Pair
Bromodomain BRD4


(Homo sapiens (Human))
BDBM331433
PNG
(4-[5-(Dimethyl-1H-1,2,3-triazol-5-yl)-8-[(S)-(2-fl...)
Show SMILES CN(C)C(=O)N1CCN(CC1)c1ccc2c(n1)n([C@@H](C1CCOCC1)c1ccccc1F)c1cc(cnc21)-c1c(C)nnn1C
Show InChI InChI=1S/C33H38FN9O2/c1-21-30(40(4)38-37-21)23-19-27-29(35-20-23)25-9-10-28(41-13-15-42(16-14-41)33(44)39(2)3)36-32(25)43(27)31(22-11-17-45-18-12-22)24-7-5-6-8-26(24)34/h5-10,19-20,22,31H,11-18H2,1-4H3/t31-/m0/s1
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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 US9725449 (2017)

More data for this
Ligand-Target Pair
Bromodomain BRD4


(Homo sapiens (Human))
BDBM331434
PNG
(4-[5-(Dimethyl-1H-1,2,3-triazol-5-yl)-8-[(S)-(2-fl...)
Show SMILES CN(C)S(=O)(=O)N1CCN(CC1)c1ccc2c(n1)n([C@@H](C1CCOCC1)c1ccccc1F)c1cc(cnc21)-c1c(C)nnn1C
Show InChI InChI=1S/C32H38FN9O3S/c1-21-30(39(4)37-36-21)23-19-27-29(34-20-23)25-9-10-28(40-13-15-41(16-14-40)46(43,44)38(2)3)35-32(25)42(27)31(22-11-17-45-18-12-22)24-7-5-6-8-26(24)33/h5-10,19-20,22,31H,11-18H2,1-4H3/t31-/m0/s1
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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 US9725449 (2017)

More data for this
Ligand-Target Pair
Bromodomain BRD4


(Homo sapiens (Human))
BDBM331435
PNG
(5-(Dimethyl-1H-1,2,3-triazol-5-yl)-8-[(S)-(2-fluor...)
Show SMILES CN1CCC(CC1)N1CCN(CC1)c1ccc2c(n1)n([C@@H](C1CCOCC1)c1ccccc1F)c1cc(cnc21)-c1c(C)nnn1C
Show InChI InChI=1S/C36H44FN9O/c1-24-34(43(3)41-40-24)26-22-31-33(38-23-26)29-8-9-32(45-18-16-44(17-19-45)27-10-14-42(2)15-11-27)39-36(29)46(31)35(25-12-20-47-21-13-25)28-6-4-5-7-30(28)37/h4-9,22-23,25,27,35H,10-21H2,1-3H3/t35-/m0/s1
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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 US9725449 (2017)

More data for this
Ligand-Target Pair
Bromodomain BRD4


(Homo sapiens (Human))
BDBM331440
PNG
(10-Methanesulfonyl-5-[4-(2H3)methyl-1-methyl-1H-1,...)
Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1c(cnc(NCC(F)(F)F)c21)S(C)(=O)=O
Show InChI InChI=1S/C29H30F3N7O3S/c1-17-25(38(2)37-36-17)20-13-21-24(33-14-20)23-27(22(43(3,40)41)15-34-28(23)35-16-29(30,31)32)39(21)26(18-7-5-4-6-8-18)19-9-11-42-12-10-19/h4-8,13-15,19,26H,9-12,16H2,1-3H3,(H,34,35)/t26-/m1/s1
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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 US9725449 (2017)

More data for this
Ligand-Target Pair
Bromodomain BRD4


(Homo sapiens (Human))
BDBM331441
PNG
(2-{10-Fluoro-5-[4-(2H3)methyl-1-methyl-1H-1,2,3-tr...)
Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1c(F)c(ncc21)C(C)(C)O
Show InChI InChI=1S/C29H31FN6O2/c1-17-25(35(4)34-33-17)20-14-22-24(31-15-20)21-16-32-28(29(2,3)37)23(30)27(21)36(22)26(18-8-6-5-7-9-18)19-10-12-38-13-11-19/h5-9,14-16,19,26,37H,10-13H2,1-4H3/t26-/m1/s1
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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 US9725449 (2017)

More data for this
Ligand-Target Pair
Bromodomain BRD4


(Homo sapiens (Human))
BDBM331442
PNG
(13-[(2,2-Difluorocyclopropyl)methoxy]-5-[4-(2H3)me...)
Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1ccnc(OCC3CC3(F)F)c21
Show InChI InChI=1S/C30H30F2N6O2/c1-18-27(37(2)36-35-18)21-14-24-26(34-16-21)25-23(8-11-33-29(25)40-17-22-15-30(22,31)32)38(24)28(19-6-4-3-5-7-19)20-9-12-39-13-10-20/h3-8,11,14,16,20,22,28H,9-10,12-13,15,17H2,1-2H3/t22?,28-/m1/s1
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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 US9725449 (2017)

More data for this
Ligand-Target Pair
Bromodomain BRD4


(Homo sapiens (Human))
BDBM331445
PNG
(US9725449, Example 282)
Show SMILES COc1ncc(c2n([C@@H](C3CCC(F)(F)CC3)c3ccccc3)c3cc(cnc3c12)-c1c(C)nnn1C)C(C)(C)O
Show InChI InChI=1S/C31H34F2N6O2/c1-18-26(38(4)37-36-18)21-15-23-25(34-16-21)24-28(22(30(2,3)40)17-35-29(24)41-5)39(23)27(19-9-7-6-8-10-19)20-11-13-31(32,33)14-12-20/h6-10,15-17,20,27,40H,11-14H2,1-5H3/t27-/m1/s1
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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 US9725449 (2017)

More data for this
Ligand-Target Pair
Bromodomain BRD4


(Homo sapiens (Human))
BDBM331446
PNG
(5-(Dimethyl-1H-1,2,3-triazol-5-yl)-11-methoxy-13-m...)
Show SMILES COc1cc2n([C@@H](C3CCOCC3)c3ccccc3)c3cc(cnc3c2c(C)n1)-c1c(C)nnn1C
Show InChI InChI=1S/C28H30N6O2/c1-17-25-22(15-24(30-17)35-4)34(28(19-8-6-5-7-9-19)20-10-12-36-13-11-20)23-14-21(16-29-26(23)25)27-18(2)31-32-33(27)3/h5-9,14-16,20,28H,10-13H2,1-4H3/t28-/m1/s1
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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 US9725449 (2017)

More data for this
Ligand-Target Pair
Bromodomain BRD4


(Homo sapiens (Human))
BDBM331447
PNG
(2-{5-[4-(2H3)Methyl-1-methyl-1H-1,2,3-triazol-5-yl...)
Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(ncc21)C(C)(C)O
Show InChI InChI=1S/C29H32N6O2/c1-18-27(34(4)33-32-18)21-14-24-26(31-16-21)22-17-30-25(29(2,3)36)15-23(22)35(24)28(19-8-6-5-7-9-19)20-10-12-37-13-11-20/h5-9,14-17,20,28,36H,10-13H2,1-4H3/t28-/m1/s1
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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 US9725449 (2017)

More data for this
Ligand-Target Pair
Bromodomain BRD4


(Homo sapiens (Human))
BDBM331447
PNG
(2-{5-[4-(2H3)Methyl-1-methyl-1H-1,2,3-triazol-5-yl...)
Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(ncc21)C(C)(C)O
Show InChI InChI=1S/C29H32N6O2/c1-18-27(34(4)33-32-18)21-14-24-26(31-16-21)22-17-30-25(29(2,3)36)15-23(22)35(24)28(19-8-6-5-7-9-19)20-10-12-37-13-11-20/h5-9,14-17,20,28,36H,10-13H2,1-4H3/t28-/m1/s1
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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 US9725449 (2017)

More data for this
Ligand-Target Pair
Bromodomain BRD4


(Homo sapiens (Human))
BDBM331450
PNG
(11-Methoxy-5-[4-(2H3)methyl-1-methyl-1H-1,2,3-tria...)
Show SMILES COc1cc2n([C@@H](C3CCOCC3)c3ccccc3)c3cc(cnc3c2cn1)-c1c(C)nnn1C
Show InChI InChI=1S/C27H28N6O2/c1-17-26(32(2)31-30-17)20-13-23-25(29-15-20)21-16-28-24(34-3)14-22(21)33(23)27(18-7-5-4-6-8-18)19-9-11-35-12-10-19/h4-8,13-16,19,27H,9-12H2,1-3H3/t27-/m1/s1
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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 US9725449 (2017)

More data for this
Ligand-Target Pair
Bromodomain BRD4


(Homo sapiens (Human))
BDBM331451
PNG
(11-(Cyclopropylmethoxy)-5-[4-(2H3)methyl-1-methyl-...)
Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(OCC3CC3)ncc21
Show InChI InChI=1S/C30H32N6O2/c1-19-29(35(2)34-33-19)23-14-26-28(32-16-23)24-17-31-27(38-18-20-8-9-20)15-25(24)36(26)30(21-6-4-3-5-7-21)22-10-12-37-13-11-22/h3-7,14-17,20,22,30H,8-13,18H2,1-2H3/t30-/m1/s1
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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 US9725449 (2017)

More data for this
Ligand-Target Pair
Bromodomain BRD4


(Homo sapiens (Human))
BDBM331452
PNG
(8-[(4,4-Difluorocyclohexyl)(phenyl)methyl]-5-(dime...)
Show SMILES Cc1n[nH]n(C)c1-c1cnc2c(c1)n(C(C1CCC(F)(F)CC1)c1ccccc1)c1c(cncc21)S(C)(=O)=O
Show InChI InChI=1S/C28H28F2N6O2S/c1-17-25(35(2)34-33-17)20-13-22-24(32-14-20)21-15-31-16-23(39(3,37)38)27(21)36(22)26(18-7-5-4-6-8-18)19-9-11-28(29,30)12-10-19/h4-8,13-16,19,26H,9-12H2,1-3H3
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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 US9725449 (2017)

More data for this
Ligand-Target Pair
Bromodomain BRD4


(Homo sapiens (Human))
BDBM331454
PNG
(2-{5-[4-(2H3)Methyl-1-methyl-1H-1,2,3-triazol-5-yl...)
Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1c(cncc21)C(C)(C)O
Show InChI InChI=1S/C29H32N6O2/c1-18-26(34(4)33-32-18)21-14-24-25(31-15-21)22-16-30-17-23(29(2,3)36)28(22)35(24)27(19-8-6-5-7-9-19)20-10-12-37-13-11-20/h5-9,14-17,20,27,36H,10-13H2,1-4H3/t27-/m1/s1
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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 US9725449 (2017)

More data for this
Ligand-Target Pair
Bromodomain BRD4


(Homo sapiens (Human))
BDBM331458
PNG
(5-[4-(2H3)Methyl-1-methyl-1H-1,2,3-triazol-5-yl]-8...)
Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1nc(NCCc3nnn[nH]3)ccc21
Show InChI InChI=1S/C29H31N11O/c1-18-27(39(2)38-33-18)21-16-23-26(31-17-21)22-8-9-24(30-13-10-25-34-36-37-35-25)32-29(22)40(23)28(19-6-4-3-5-7-19)20-11-14-41-15-12-20/h3-9,16-17,20,28H,10-15H2,1-2H3,(H,30,32)(H,34,35,36,37)/t28-/m1/s1
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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 US9725449 (2017)

More data for this
Ligand-Target Pair
Bromodomain BRD4


(Homo sapiens (Human))
BDBM331459
PNG
(10,13-Dichloro-5-[4-(2H3)methyl-1-methyl-1H-1,2,3-...)
Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1c(Cl)ncc(Cl)c21
Show InChI InChI=1S/C26H24Cl2N6O/c1-15-23(33(2)32-31-15)18-12-20-22(29-13-18)21-19(27)14-30-26(28)25(21)34(20)24(16-6-4-3-5-7-16)17-8-10-35-11-9-17/h3-7,12-14,17,24H,8-11H2,1-2H3/t24-/m1/s1
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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 US9725449 (2017)

More data for this
Ligand-Target Pair
Bromodomain BRD4


(Homo sapiens (Human))
BDBM331462
PNG
(5-[4-(2H3)Methyl-1-methyl-1H-1,2,3-triazol-5-yl]-8...)
Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1cnccc21
Show InChI InChI=1S/C26H26N6O/c1-17-25(31(2)30-29-17)20-14-22-24(28-15-20)21-8-11-27-16-23(21)32(22)26(18-6-4-3-5-7-18)19-9-12-33-13-10-19/h3-8,11,14-16,19,26H,9-10,12-13H2,1-2H3/t26-/m1/s1
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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 US9725449 (2017)

More data for this
Ligand-Target Pair
Bromodomain BRD4


(Homo sapiens (Human))
BDBM331463
PNG
(13-Methoxy-5-[4-(2H3)methyl-1-methyl-1H-1,2,3-tria...)
Show SMILES COc1cncc2n([C@@H](C3CCOCC3)c3ccccc3)c3cc(cnc3c12)-c1c(C)nnn1C
Show InChI InChI=1S/C27H28N6O2/c1-17-26(32(2)31-30-17)20-13-21-25(29-14-20)24-22(15-28-16-23(24)34-3)33(21)27(18-7-5-4-6-8-18)19-9-11-35-12-10-19/h4-8,13-16,19,27H,9-12H2,1-3H3/t27-/m1/s1
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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 US9725449 (2017)

More data for this
Ligand-Target Pair
Bromodomain BRD4


(Homo sapiens (Human))
BDBM331464
PNG
(5-[4-(2H3)Methyl-1-methyl-1H-1,2,3-triazol-5-yl]-8...)
Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1cncc(OCC(F)(F)F)c21
Show InChI InChI=1S/C28H27F3N6O2/c1-17-26(36(2)35-34-17)20-12-21-25(33-13-20)24-22(14-32-15-23(24)39-16-28(29,30)31)37(21)27(18-6-4-3-5-7-18)19-8-10-38-11-9-19/h3-7,12-15,19,27H,8-11,16H2,1-2H3/t27-/m1/s1
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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 US9725449 (2017)

More data for this
Ligand-Target Pair
Bromodomain BRD4


(Homo sapiens (Human))
BDBM331465
PNG
(5-[4-(2H3)Methyl-1-methyl-1H-1,2,3-triazol-5-yl]-8...)
Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1cncc(NCC(F)(F)F)c21
Show InChI InChI=1S/C28H28F3N7O/c1-17-26(37(2)36-35-17)20-12-22-25(33-13-20)24-21(34-16-28(29,30)31)14-32-15-23(24)38(22)27(18-6-4-3-5-7-18)19-8-10-39-11-9-19/h3-7,12-15,19,27,34H,8-11,16H2,1-2H3/t27-/m1/s1
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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 US9725449 (2017)

More data for this
Ligand-Target Pair
Bromodomain BRD4


(Homo sapiens (Human))
BDBM331501
PNG
(8-[(S)-(3-Fluoropyridin-2-yl)(oxan-4-yl)methyl]-10...)
Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ncccc1F)c1c(cnc(NCC(F)(F)F)c21)S(C)(=O)=O
Show InChI InChI=1S/C28H28F4N8O3S/c1-15-24(39(2)38-37-15)17-11-19-23(34-12-17)21-26(20(44(3,41)42)13-35-27(21)36-14-28(30,31)32)40(19)25(16-6-9-43-10-7-16)22-18(29)5-4-8-33-22/h4-5,8,11-13,16,25H,6-7,9-10,14H2,1-3H3,(H,35,36)/t25-/m0/s1
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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 US9725449 (2017)

More data for this
Ligand-Target Pair
Bromodomain BRD4


(Homo sapiens (Human))
BDBM331503
PNG
(11-(4,4-Difluoropiperidin-1-yl)-13-methoxy-5-[4-(2...)
Show SMILES COc1nc(cc2n([C@@H](C3CCOCC3)c3ccccc3)c3cc(cnc3c12)-c1c(C)nnn1C)N1CCC(F)(F)CC1
Show InChI InChI=1S/C32H35F2N7O2/c1-20-29(39(2)38-37-20)23-17-25-28(35-19-23)27-24(18-26(36-31(27)42-3)40-13-11-32(33,34)12-14-40)41(25)30(21-7-5-4-6-8-21)22-9-15-43-16-10-22/h4-8,17-19,22,30H,9-16H2,1-3H3/t30-/m1/s1
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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 US9725449 (2017)

More data for this
Ligand-Target Pair
Bromodomain BRD4


(Homo sapiens (Human))
BDBM331505
PNG
(2-{8-[(4,4-Difluorocyclohexyl)(phenyl)methyl]-13-m...)
Show SMILES COc1nc(cc2n(C(C3CCC(F)(F)CC3)c3ccccc3)c3cc(cnc3c12)-c1c(C)n[nH]n1C)C(C)(C)O
Show InChI InChI=1S/C31H34F2N6O2/c1-18-27(38(4)37-36-18)21-15-23-26(34-17-21)25-22(16-24(30(2,3)40)35-29(25)41-5)39(23)28(19-9-7-6-8-10-19)20-11-13-31(32,33)14-12-20/h6-10,15-17,20,28,40H,11-14H2,1-5H3
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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 US9725449 (2017)

More data for this
Ligand-Target Pair
Bromodomain BRD4


(Homo sapiens (Human))
BDBM331505
PNG
(2-{8-[(4,4-Difluorocyclohexyl)(phenyl)methyl]-13-m...)
Show SMILES COc1nc(cc2n(C(C3CCC(F)(F)CC3)c3ccccc3)c3cc(cnc3c12)-c1c(C)n[nH]n1C)C(C)(C)O
Show InChI InChI=1S/C31H34F2N6O2/c1-18-27(38(4)37-36-18)21-15-23-26(34-17-21)25-22(16-24(30(2,3)40)35-29(25)41-5)39(23)28(19-9-7-6-8-10-19)20-11-13-31(32,33)14-12-20/h6-10,15-17,20,28,40H,11-14H2,1-5H3
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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 US9725449 (2017)

More data for this
Ligand-Target Pair
Bromodomain BRD4


(Homo sapiens (Human))
BDBM331509
PNG
(2-{5-[4-(2H3)Methyl-1-methyl-1H-1,2,3-triazol-5-yl...)
Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1ncc(cc21)C(C)(C)O
Show InChI InChI=1S/C29H32N6O2/c1-18-26(34(4)33-32-18)21-14-24-25(30-16-21)23-15-22(29(2,3)36)17-31-28(23)35(24)27(19-8-6-5-7-9-19)20-10-12-37-13-11-20/h5-9,14-17,20,27,36H,10-13H2,1-4H3/t27-/m1/s1
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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 US9725449 (2017)

More data for this
Ligand-Target Pair
Bromodomain BRD4


(Homo sapiens (Human))
BDBM331518
PNG
(2-{8-[(3-Fluoropyridin-2-yl)(oxan-4-yl)methyl]-11-...)
Show SMILES Cc1n[nH]n(C)c1-c1ccc2c3cnc(cc3n(C(C3CCOCC3)c3ncccc3F)c2n1)C(C)(C)O
Show InChI InChI=1S/C28H30FN7O2/c1-16-25(35(4)34-33-16)21-8-7-18-19-15-31-23(28(2,3)37)14-22(19)36(27(18)32-21)26(17-9-12-38-13-10-17)24-20(29)6-5-11-30-24/h5-8,11,14-15,17,26,37H,9-10,12-13H2,1-4H3
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n/an/a<1n/an/an/an/an/an/a



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 US9725449 (2017)

More data for this
Ligand-Target Pair
Bromodomain BRD4


(Homo sapiens (Human))
BDBM331533
PNG
(1-[11-(Dimethyl-1H-1,2,3-triazol-5-yl)-8-[(R)-oxan...)
Show SMILES CC(=O)c1cnc2c(c1)n([C@H](C1CCOCC1)c1ccccc1)c1nc(ccc21)-c1c(C)nnn1C
Show InChI InChI=1S/C28H28N6O2/c1-17-26(33(3)32-31-17)23-10-9-22-25-24(15-21(16-29-25)18(2)35)34(28(22)30-23)27(19-7-5-4-6-8-19)20-11-13-36-14-12-20/h4-10,15-16,20,27H,11-14H2,1-3H3/t27-/m0/s1
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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 US9725449 (2017)

More data for this
Ligand-Target Pair
Bromodomain BRD4


(Homo sapiens (Human))
BDBM331172
PNG
(10-Chloro-5-(dimethyl-1H-1,2,3-triazol-5-yl)-8-[(S...)
Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1c(Cl)nccc21
Show InChI InChI=1S/C26H25ClN6O/c1-16-23(32(2)31-30-16)19-14-21-22(29-15-19)20-8-11-28-26(27)25(20)33(21)24(17-6-4-3-5-7-17)18-9-12-34-13-10-18/h3-8,11,14-15,18,24H,9-10,12-13H2,1-2H3/t24-/m1/s1
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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 US9725449 (2017)

More data for this
Ligand-Target Pair
Bromodomain BRD4


(Homo sapiens (Human))
BDBM331179
PNG
(5-(Dimethyl-1H-1,2,3-triazol-5-yl)-10-methoxy-8-[(...)
Show SMILES COc1nccc2c3ncc(cc3n([C@@H](C3CCOCC3)c3ccccc3)c12)-c1c(C)nnn1C
Show InChI InChI=1S/C27H28N6O2/c1-17-24(32(2)31-30-17)20-15-22-23(29-16-20)21-9-12-28-27(34-3)26(21)33(22)25(18-7-5-4-6-8-18)19-10-13-35-14-11-19/h4-9,12,15-16,19,25H,10-11,13-14H2,1-3H3/t25-/m1/s1
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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 US9725449 (2017)

More data for this
Ligand-Target Pair
Bromodomain BRD4


(Homo sapiens (Human))
BDBM331195
PNG
(5-(Dimethyl-1H-1,2,3-triazol-5-yl)-10-fluoro-8-[(S...)
Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1F)c1c(F)nccc21
Show InChI InChI=1S/C26H24F2N6O/c1-15-23(33(2)32-31-15)17-13-21-22(30-14-17)19-7-10-29-26(28)25(19)34(21)24(16-8-11-35-12-9-16)18-5-3-4-6-20(18)27/h3-7,10,13-14,16,24H,8-9,11-12H2,1-2H3/t24-/m0/s1
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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 US9725449 (2017)

More data for this
Ligand-Target Pair
Bromodomain BRD4


(Homo sapiens (Human))
BDBM331196
PNG
(5-(Dimethyl-1H-1,2,3-triazol-5-yl)-8-[(S)-(2-fluor...)
Show SMILES COc1nccc2n([C@@H](C3CCOCC3)c3ccccc3F)c3cc(cnc3c12)-c1c(C)nnn1C
Show InChI InChI=1S/C27H27FN6O2/c1-16-25(33(2)32-31-16)18-14-22-24(30-15-18)23-21(8-11-29-27(23)35-3)34(22)26(17-9-12-36-13-10-17)19-6-4-5-7-20(19)28/h4-8,11,14-15,17,26H,9-10,12-13H2,1-3H3/t26-/m0/s1
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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 US9725449 (2017)

More data for this
Ligand-Target Pair
Bromodomain BRD4


(Homo sapiens (Human))
BDBM331199
PNG
(5-(Dimethyl-1H-1,2,3-triazol-5-yl)-13-methanesulfo...)
Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1ccnc(c21)S(C)(=O)=O
Show InChI InChI=1S/C27H28N6O3S/c1-17-25(32(2)31-30-17)20-15-22-24(29-16-20)23-21(9-12-28-27(23)37(3,34)35)33(22)26(18-7-5-4-6-8-18)19-10-13-36-14-11-19/h4-9,12,15-16,19,26H,10-11,13-14H2,1-3H3/t26-/m1/s1
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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 US9725449 (2017)

More data for this
Ligand-Target Pair
Bromodomain BRD4


(Homo sapiens (Human))
BDBM331205
PNG
(10-Chloro-5-(dimethyl-1H-1,2,3-triazol-5-yl)-13-me...)
Show SMILES COc1ncc(Cl)c2n([C@@H](C3CCOCC3)c3ccccc3)c3cc(cnc3c12)-c1c(C)nnn1C
Show InChI InChI=1S/C27H27ClN6O2/c1-16-24(33(2)32-31-16)19-13-21-23(29-14-19)22-26(20(28)15-30-27(22)35-3)34(21)25(17-7-5-4-6-8-17)18-9-11-36-12-10-18/h4-8,13-15,18,25H,9-12H2,1-3H3/t25-/m1/s1
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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 US9725449 (2017)

More data for this
Ligand-Target Pair
Bromodomain BRD4


(Homo sapiens (Human))
BDBM331207
PNG
(10-Chloro-5-(dimethyl-1H-1,2,3-triazol-5-yl)-N,N-d...)
Show SMILES CN(C)c1ncc(Cl)c2n([C@@H](C3CCOCC3)c3ccccc3)c3cc(cnc3c12)-c1c(C)nnn1C
Show InChI InChI=1S/C28H30ClN7O/c1-17-25(35(4)33-32-17)20-14-22-24(30-15-20)23-27(21(29)16-31-28(23)34(2)3)36(22)26(18-8-6-5-7-9-18)19-10-12-37-13-11-19/h5-9,14-16,19,26H,10-13H2,1-4H3/t26-/m1/s1
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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 US9725449 (2017)

More data for this
Ligand-Target Pair
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