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Patent code US10174024

Compile Data Set for Download or QSAR
Found 77 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))
BDBM320302
PNG
(2-[3-(Dimethyl-1H-1,2,3-triazol-5-yl)-6-methanesul...)
Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1c(ccc(N3CCCS3(=O)=O)c21)S(C)(=O)=O
Show InChI InChI=1S/C31H34N6O5S2/c1-20-29(35(2)34-33-20)23-18-25-28(32-19-23)27-24(36-14-7-17-44(36,40)41)10-11-26(43(3,38)39)31(27)37(25)30(21-8-5-4-6-9-21)22-12-15-42-16-13-22/h4-6,8-11,18-19,22,30H,7,12-17H2,1-3H3/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 US10174024 (2019)

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


(Homo sapiens (Human))
BDBM320335
PNG
(4-{6-Fluoro-3-[4-(2H3)methyl-1-methyl-1H-1,2,3-tri...)
Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1c(F)c(ccc21)C1(O)CCNCC1
Show InChI InChI=1S/C32H35FN6O2/c1-20-29(38(2)37-36-20)23-18-26-28(35-19-23)24-8-9-25(32(40)12-14-34-15-13-32)27(33)31(24)39(26)30(21-6-4-3-5-7-21)22-10-16-41-17-11-22/h3-9,18-19,22,30,34,40H,10-17H2,1-2H3/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 US10174024 (2019)

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


(Homo sapiens (Human))
BDBM320345
PNG
(3-{6-Fluoro-3-[4-(2H3)methyl-1-methyl-1H-1,2,3-tri...)
Show SMILES Cc1n[nH]n(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1c(F)c(ccc21)C1(O)CCOC1
Show InChI InChI=1S/C31H32FN5O3/c1-19-28(36(2)35-34-19)22-16-25-27(33-17-22)23-8-9-24(31(38)12-15-40-18-31)26(32)30(23)37(25)29(20-6-4-3-5-7-20)21-10-13-39-14-11-21/h3-9,16-17,21,29,38H,10-15,18H2,1-2H3/t29-,31?/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 US10174024 (2019)

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


(Homo sapiens (Human))
BDBM320333
PNG
((2R)-4-{5-[(S)-(2-Fluorophenyl)(oxan-4-yl)methyl]-...)
Show SMILES C[C@@H]1CN(CCS1(=O)=O)c1ccc2n([C@@H](C3CCOCC3)c3ccccc3F)c3cc(cnc3c2c1)-c1c(C)nnn1C
Show InChI InChI=1S/C32H35FN6O3S/c1-20-19-38(12-15-43(20,40)41)24-8-9-28-26(17-24)30-29(16-23(18-34-30)31-21(2)35-36-37(31)3)39(28)32(22-10-13-42-14-11-22)25-6-4-5-7-27(25)33/h4-9,16-18,20,22,32H,10-15,19H2,1-3H3/t20-,32+/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 US10174024 (2019)

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


(Homo sapiens (Human))
BDBM320336
PNG
(4-{6-Fluoro-3-[4-(2H3)methyl-1-methyl-1H-1,2,3-tri...)
Show SMILES CN1CCC(O)(CC1)c1ccc2c3ncc(cc3n([C@@H](C3CCOCC3)c3ccccc3)c2c1F)-c1c(C)nnn1C
Show InChI InChI=1S/C33H37FN6O2/c1-21-30(39(3)37-36-21)24-19-27-29(35-20-24)25-9-10-26(33(41)13-15-38(2)16-14-33)28(34)32(25)40(27)31(22-7-5-4-6-8-22)23-11-17-42-18-12-23/h4-10,19-20,23,31,41H,11-18H2,1-3H3/t31-/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 US10174024 (2019)

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


(Homo sapiens (Human))
BDBM320287
PNG
(4-[3-(Dimethyl-1H-1,2,3-triazol-5-yl)-5-[(S)-oxan-...)
Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1ccc(cc21)C1CCNCC1
Show InChI InChI=1S/C32H36N6O/c1-21-31(37(2)36-35-21)26-19-29-30(34-20-26)27-18-25(22-10-14-33-15-11-22)8-9-28(27)38(29)32(23-6-4-3-5-7-23)24-12-16-39-17-13-24/h3-9,18-20,22,24,32-33H,10-17H2,1-2H3/t32-/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 US10174024 (2019)

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


(Homo sapiens (Human))
BDBM320317
PNG
(2-{5-[(S)-(2-Fluorophenyl)(oxan-4-yl)methyl]-6-met...)
Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1F)c1c(ccc(N3CCCS3(=O)=O)c21)S(C)(=O)=O
Show InChI InChI=1S/C31H33FN6O5S2/c1-19-29(36(2)35-34-19)21-17-25-28(33-18-21)27-24(37-13-6-16-45(37,41)42)9-10-26(44(3,39)40)31(27)38(25)30(20-11-14-43-15-12-20)22-7-4-5-8-23(22)32/h4-5,7-10,17-18,20,30H,6,11-16H2,1-3H3/t30-/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 US10174024 (2019)

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


(Homo sapiens (Human))
BDBM320342
PNG
(3-{6-Fluoro-3-[4-(2H3)methyl-1-methyl-1H-1,2,3-tri...)
Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1c(F)c(ccc21)N1CCOC1=O
Show InChI InChI=1S/C30H29FN6O3/c1-18-27(35(2)34-33-18)21-16-24-26(32-17-21)22-8-9-23(36-12-15-40-30(36)38)25(31)29(22)37(24)28(19-6-4-3-5-7-19)20-10-13-39-14-11-20/h3-9,16-17,20,28H,10-15H2,1-2H3/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 US10174024 (2019)

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


(Homo sapiens (Human))
BDBM320314
PNG
(4-(2H3)Methyl-1-methyl-5-{7-[4-(2H3)methyl-1-methy...)
Show SMILES CC1N=N[N](C)=C1c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(ccc21)-c1c(C)nnn1C
Show InChI InChI=1S/C31H33N8O/c1-19-29(37(3)35-33-19)23-10-11-25-26(16-23)39(31(21-8-6-5-7-9-21)22-12-14-40-15-13-22)27-17-24(18-32-28(25)27)30-20(2)34-36-38(30)4/h5-11,16-18,20,22,31H,12-15H2,1-4H3/t20?,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 US10174024 (2019)

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


(Homo sapiens (Human))
BDBM320353
PNG
(1-[3-(Dimethyl-1H-1,2,3-triazol-5-yl)-5-[(S)-oxan-...)
Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(ccc21)N1CCC(F)(F)CC1
Show InChI InChI=1S/C32H34F2N6O/c1-21-30(38(2)37-36-21)24-18-28-29(35-20-24)26-9-8-25(39-14-12-32(33,34)13-15-39)19-27(26)40(28)31(22-6-4-3-5-7-22)23-10-16-41-17-11-23/h3-9,18-20,23,31H,10-17H2,1-2H3/t31-/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 US10174024 (2019)

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


(Homo sapiens (Human))
BDBM320323
PNG
(1-{5-[(S)-(4-Fluorophenyl)(oxan-4-yl)methyl]-3-[4-...)
Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccc(F)cc1)c1ccc(cc21)N1CCN(CC1)S(C)(=O)=O
Show InChI InChI=1S/C32H36FN7O3S/c1-21-31(37(2)36-35-21)24-18-29-30(34-20-24)27-19-26(38-12-14-39(15-13-38)44(3,41)42)8-9-28(27)40(29)32(23-10-16-43-17-11-23)22-4-6-25(33)7-5-22/h4-9,18-20,23,32H,10-17H2,1-3H3/t32-/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 US10174024 (2019)

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


(Homo sapiens (Human))
BDBM320334
PNG
((2S)-4-{5-[(S)-(2-Fluorophenyl)(oxan-4-yl)methyl]-...)
Show SMILES C[C@H]1CN(CCS1(=O)=O)c1ccc2n([C@@H](C3CCOCC3)c3ccccc3F)c3cc(cnc3c2c1)-c1c(C)nnn1C
Show InChI InChI=1S/C32H35FN6O3S/c1-20-19-38(12-15-43(20,40)41)24-8-9-28-26(17-24)30-29(16-23(18-34-30)31-21(2)35-36-37(31)3)39(28)32(22-10-13-42-14-11-22)25-6-4-5-7-27(25)33/h4-9,16-18,20,22,32H,10-15,19H2,1-3H3/t20-,32-/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 US10174024 (2019)

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


(Homo sapiens (Human))
BDBM320340
PNG
(2-{6-Fluoro-3-[4-(2H3)methyl-1-methyl-1H-1,2,3-tri...)
Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1c(F)c(ccc21)N1CCCS1(=O)=O
Show InChI InChI=1S/C30H31FN6O3S/c1-19-28(35(2)34-33-19)22-17-25-27(32-18-22)23-9-10-24(36-13-6-16-41(36,38)39)26(31)30(23)37(25)29(20-7-4-3-5-8-20)21-11-14-40-15-12-21/h3-5,7-10,17-18,21,29H,6,11-16H2,1-2H3/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 US10174024 (2019)

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


(Homo sapiens (Human))
BDBM320344
PNG
(4-{6-Fluoro-3-[4-(2H3)methyl-1-methyl-1H-1,2,3-tri...)
Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1c(F)c(ccc21)C1(O)CCOCC1
Show InChI InChI=1S/C32H34FN5O3/c1-20-29(37(2)36-35-20)23-18-26-28(34-19-23)24-8-9-25(32(39)12-16-41-17-13-32)27(33)31(24)38(26)30(21-6-4-3-5-7-21)22-10-14-40-15-11-22/h3-9,18-19,22,30,39H,10-17H2,1-2H3/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 US10174024 (2019)

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


(Homo sapiens (Human))
BDBM320290
PNG
(1-{4-[3-(Dimethyl-1,2-oxazol-4-yl)-5-[(S)-oxan-4-y...)
Show SMILES CC(=O)N1CCN(CC1)c1ccc2n([C@@H](C3CCOCC3)c3ccccc3)c3cc(cnc3c2c1)-c1c(C)nnn1C
Show InChI InChI=1S/C33H37N7O2/c1-22-32(37(3)36-35-22)26-19-30-31(34-21-26)28-20-27(39-15-13-38(14-16-39)23(2)41)9-10-29(28)40(30)33(24-7-5-4-6-8-24)25-11-17-42-18-12-25/h4-10,19-21,25,33H,11-18H2,1-3H3/t33-/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 US10174024 (2019)

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


(Homo sapiens (Human))
BDBM320294
PNG
(5-[3-(Dimethyl-1H-1,2,3-triazol-5-yl)-5-[(S)-oxan-...)
Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(ccc21)-c1nnn[nH]1
Show InChI InChI=1S/C28H27N9O/c1-17-26(36(2)35-30-17)21-15-24-25(29-16-21)22-9-8-20(28-31-33-34-32-28)14-23(22)37(24)27(18-6-4-3-5-7-18)19-10-12-38-13-11-19/h3-9,14-16,19,27H,10-13H2,1-2H3,(H,31,32,33,34)/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 US10174024 (2019)

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


(Homo sapiens (Human))
BDBM320337
PNG
(4-{6-Fluoro-3-[4-(2H3)methyl-1-methyl-1H-1,2,3-tri...)
Show SMILES Cc1n[nH]n(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1c(F)c(ccc21)C1(C)COC(=O)N1
Show InChI InChI=1S/C31H31FN6O3/c1-18-27(37(3)36-35-18)21-15-24-26(33-16-21)22-9-10-23(31(2)17-41-30(39)34-31)25(32)29(22)38(24)28(19-7-5-4-6-8-19)20-11-13-40-14-12-20/h4-10,15-16,20,28H,11-14,17H2,1-3H3,(H,34,39)/t28-,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 US10174024 (2019)

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


(Homo sapiens (Human))
BDBM320337
PNG
(4-{6-Fluoro-3-[4-(2H3)methyl-1-methyl-1H-1,2,3-tri...)
Show SMILES Cc1n[nH]n(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1c(F)c(ccc21)C1(C)COC(=O)N1
Show InChI InChI=1S/C31H31FN6O3/c1-18-27(37(3)36-35-18)21-15-24-26(33-16-21)22-9-10-23(31(2)17-41-30(39)34-31)25(32)29(22)38(24)28(19-7-5-4-6-8-19)20-11-13-40-14-12-20/h4-10,15-16,20,28H,11-14,17H2,1-3H3,(H,34,39)/t28-,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 US10174024 (2019)

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


(Homo sapiens (Human))
BDBM320347
PNG
(2-{[7-(4,4-Difluoropiperidin-1-yl)-3-[4-(2H3)methy...)
Show SMILES Cc1n[nH]n(C)c1-c1cnc2c(c1)n(C(C1CCOCC1)c1ncccc1F)c1cc(ccc21)N1CCC(F)(F)CC1
Show InChI InChI=1S/C31H32F3N7O/c1-19-29(39(2)38-37-19)21-16-26-27(36-18-21)23-6-5-22(40-12-9-31(33,34)10-13-40)17-25(23)41(26)30(20-7-14-42-15-8-20)28-24(32)4-3-11-35-28/h3-6,11,16-18,20,30H,7-10,12-15H2,1-2H3
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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 US10174024 (2019)

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


(Homo sapiens (Human))
BDBM320354
PNG
(1-[3-(Dimethyl-1H-1,2,3-triazol-5-yl)-5-[(S)-oxan-...)
Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(ccc21)N1CCC(CC1)C(F)(F)F
Show InChI InChI=1S/C33H35F3N6O/c1-21-31(40(2)39-38-21)24-18-29-30(37-20-24)27-9-8-26(41-14-10-25(11-15-41)33(34,35)36)19-28(27)42(29)32(22-6-4-3-5-7-22)23-12-16-43-17-13-23/h3-9,18-20,23,25,32H,10-17H2,1-2H3/t32-/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 US10174024 (2019)

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


(Homo sapiens (Human))
BDBM320359
PNG
(1-{5-[(4,4-Difluorocyclohexyl)(phenyl)methyl]-3-(d...)
Show SMILES Cc1n[nH]n(C)c1-c1cnc2c(c1)n(C(C1CCC(F)(F)CC1)c1ccccc1)c1cc(ccc21)N1CCC(CC1)C(F)(F)F
Show InChI InChI=1S/C34H35F5N6/c1-21-31(43(2)42-41-21)24-18-29-30(40-20-24)27-9-8-26(44-16-12-25(13-17-44)34(37,38)39)19-28(27)45(29)32(22-6-4-3-5-7-22)23-10-14-33(35,36)15-11-23/h3-9,18-20,23,25,32H,10-17H2,1-2H3
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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 US10174024 (2019)

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


(Homo sapiens (Human))
BDBM320300
PNG
(5-[7-(3,5-Dimethyl-1H-pyrazol-4-yl)-5-[(S)-oxan-4-...)
Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(ccc21)-c1c(C)n[nH]c1C
Show InChI InChI=1S/C32H33N7O/c1-19-29(20(2)35-34-19)24-10-11-26-27(16-24)39(32(22-8-6-5-7-9-22)23-12-14-40-15-13-23)28-17-25(18-33-30(26)28)31-21(3)36-37-38(31)4/h5-11,16-18,23,32H,12-15H2,1-4H3,(H,34,35)/t32-/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 US10174024 (2019)

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


(Homo sapiens (Human))
BDBM320303
PNG
(2-[3-(Dimethyl-1H-1,2,3-triazol-5-yl)-6-methanesul...)
Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1c(ccc(N3CCCCS3(=O)=O)c21)S(C)(=O)=O
Show InChI InChI=1S/C32H36N6O5S2/c1-21-30(36(2)35-34-21)24-19-26-29(33-20-24)28-25(37-15-7-8-18-45(37,41)42)11-12-27(44(3,39)40)32(28)38(26)31(22-9-5-4-6-10-22)23-13-16-43-17-14-23/h4-6,9-12,19-20,23,31H,7-8,13-18H2,1-3H3/t31-/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 US10174024 (2019)

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


(Homo sapiens (Human))
BDBM320313
PNG
(4-Methoxy-5-{7-[4-methoxy-1-(2H3)methyl-1H-1,2,3-t...)
Show SMILES COc1nnn(C)c1-c1ccc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(cnc21)-c1c(OC)nnn1C
Show InChI InChI=1S/C31H32N8O3/c1-37-28(30(40-3)33-35-37)21-10-11-23-24(16-21)39(27(19-8-6-5-7-9-19)20-12-14-42-15-13-20)25-17-22(18-32-26(23)25)29-31(41-4)34-36-38(29)2/h5-11,16-18,20,27H,12-15H2,1-4H3/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 US10174024 (2019)

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


(Homo sapiens (Human))
BDBM320316
PNG
(2-{5-[(S)-(4-Fluorophenyl)(oxan-4-yl)methyl]-6-met...)
Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccc(F)cc1)c1c(ccc(N3CCCS3(=O)=O)c21)S(C)(=O)=O
Show InChI InChI=1S/C31H33FN6O5S2/c1-19-29(36(2)35-34-19)22-17-25-28(33-18-22)27-24(37-13-4-16-45(37,41)42)9-10-26(44(3,39)40)31(27)38(25)30(21-11-14-43-15-12-21)20-5-7-23(32)8-6-20/h5-10,17-18,21,30H,4,11-16H2,1-3H3/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 US10174024 (2019)

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


(Homo sapiens (Human))
BDBM320318
PNG
(2-{5-[(3-Fluoropyridin-2-yl)(oxan-4-yl)methyl]-6-m...)
Show SMILES Cc1[nH]nn(C)c1-c1cnc2c(c1)n(C(C1CCOCC1)c1ncccc1F)c1c(ccc(N3CCCS3(=O)=O)c21)S(C)(=O)=O
Show InChI InChI=1S/C30H32FN7O5S2/c1-18-28(36(2)35-34-18)20-16-23-27(33-17-20)25-22(37-12-5-15-45(37,41)42)7-8-24(44(3,39)40)30(25)38(23)29(19-9-13-43-14-10-19)26-21(31)6-4-11-32-26/h4,6-8,11,16-17,19,29H,5,9-10,12-15H2,1-3H3
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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 US10174024 (2019)

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


(Homo sapiens (Human))
BDBM320329
PNG
(1-Methanesulfonyl-4-{3-[4-(2H3)methyl-1-methyl-1H-...)
Show SMILES CN1CCN(CC1)c1ccc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(cnc21)-c1c(C)nnn1C
Show InChI InChI=1S/C32H37N7O/c1-22-31(37(3)35-34-22)25-19-29-30(33-21-25)27-10-9-26(38-15-13-36(2)14-16-38)20-28(27)39(29)32(23-7-5-4-6-8-23)24-11-17-40-18-12-24/h4-10,19-21,24,32H,11-18H2,1-3H3/t32-/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 US10174024 (2019)

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


(Homo sapiens (Human))
BDBM320339
PNG
(1-{6-Fluoro-3-[4-(2H3)methyl-1-methyl-1H-1,2,3-tri...)
Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1c(F)c(ccc21)N1CCCC1=O
Show InChI InChI=1S/C31H31FN6O2/c1-19-29(36(2)35-34-19)22-17-25-28(33-18-22)23-10-11-24(37-14-6-9-26(37)39)27(32)31(23)38(25)30(20-7-4-3-5-8-20)21-12-15-40-16-13-21/h3-5,7-8,10-11,17-18,21,30H,6,9,12-16H2,1-2H3/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 US10174024 (2019)

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


(Homo sapiens (Human))
BDBM320351
PNG
(3-Fluoro-2-{[7-(4-methanesulfonylpiperidin-1-yl)-3...)
Show SMILES Cc1n[nH]n(C)c1-c1cnc2c(c1)n(C(C1CCOCC1)c1ncccc1F)c1cc(ccc21)N1CCC(CC1)S(C)(=O)=O
Show InChI InChI=1S/C32H36FN7O3S/c1-20-31(38(2)37-36-20)22-17-28-29(35-19-22)25-7-6-23(39-13-8-24(9-14-39)44(3,41)42)18-27(25)40(28)32(21-10-15-43-16-11-21)30-26(33)5-4-12-34-30/h4-7,12,17-19,21,24,32H,8-11,13-16H2,1-3H3
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 US10174024 (2019)

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


(Homo sapiens (Human))
BDBM320351
PNG
(3-Fluoro-2-{[7-(4-methanesulfonylpiperidin-1-yl)-3...)
Show SMILES Cc1n[nH]n(C)c1-c1cnc2c(c1)n(C(C1CCOCC1)c1ncccc1F)c1cc(ccc21)N1CCC(CC1)S(C)(=O)=O
Show InChI InChI=1S/C32H36FN7O3S/c1-20-31(38(2)37-36-20)22-17-28-29(35-19-22)25-7-6-23(39-13-8-24(9-14-39)44(3,41)42)18-27(25)40(28)32(21-10-15-43-16-11-21)30-26(33)5-4-12-34-30/h4-7,12,17-19,21,24,32H,8-11,13-16H2,1-3H3
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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 US10174024 (2019)

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


(Homo sapiens (Human))
BDBM320301
PNG
(5-[3-(Dimethyl-1H-1,2,3-triazol-5-yl)-5-[(S)-oxan-...)
Show SMILES Cc1nnn(C)c1-c1ccc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(cnc21)-c1c(C)nnn1C
Show InChI InChI=1S/C31H32N8O/c1-19-29(37(3)35-33-19)23-10-11-25-26(16-23)39(31(21-8-6-5-7-9-21)22-12-14-40-15-13-22)27-17-24(18-32-28(25)27)30-20(2)34-36-38(30)4/h5-11,16-18,22,31H,12-15H2,1-4H3/t31-/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 US10174024 (2019)

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


(Homo sapiens (Human))
BDBM320327
PNG
(4-[3-(Dimethyl-1H-1,2,3-triazol-5-yl)-5-[(S)-oxan-...)
Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(ccc21)N1CCS(=O)(=O)CC1
Show InChI InChI=1S/C31H34N6O3S/c1-21-30(35(2)34-33-21)24-18-28-29(32-20-24)26-9-8-25(36-12-16-41(38,39)17-13-36)19-27(26)37(28)31(22-6-4-3-5-7-22)23-10-14-40-15-11-23/h3-9,18-20,23,31H,10-17H2,1-2H3/t31-/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 US10174024 (2019)

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


(Homo sapiens (Human))
BDBM320330
PNG
(1-[3-(Dimethyl-1H-1,2,3-triazol-5-yl)-5-[(S)-oxan-...)
Show SMILES CN1CCC(CC1)N1CCN(CC1)c1ccc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(cnc21)-c1c(C)nnn1C
Show InChI InChI=1S/C37H46N8O/c1-26-36(42(3)40-39-26)29-23-34-35(38-25-29)32-10-9-31(44-19-17-43(18-20-44)30-11-15-41(2)16-12-30)24-33(32)45(34)37(27-7-5-4-6-8-27)28-13-21-46-22-14-28/h4-10,23-25,28,30,37H,11-22H2,1-3H3/t37-/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 US10174024 (2019)

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


(Homo sapiens (Human))
BDBM320345
PNG
(3-{6-Fluoro-3-[4-(2H3)methyl-1-methyl-1H-1,2,3-tri...)
Show SMILES Cc1n[nH]n(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1c(F)c(ccc21)C1(O)CCOC1
Show InChI InChI=1S/C31H32FN5O3/c1-19-28(36(2)35-34-19)22-16-25-27(33-17-22)23-8-9-24(31(38)12-15-40-18-31)26(32)30(23)37(25)29(20-6-4-3-5-7-20)21-10-13-39-14-11-21/h3-9,16-17,21,29,38H,10-15,18H2,1-2H3/t29-,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 US10174024 (2019)

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


(Homo sapiens (Human))
BDBM320292
PNG
(5-[3-(Dimethyl-1H-1,2,3-triazol-5-yl)-5-[(S)-oxan-...)
Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(ccc21)C1(C)CNC(=O)O1
Show InChI InChI=1S/C31H32N6O3/c1-19-28(36(3)35-34-19)22-15-26-27(32-17-22)24-10-9-23(31(2)18-33-30(38)40-31)16-25(24)37(26)29(20-7-5-4-6-8-20)21-11-13-39-14-12-21/h4-10,15-17,21,29H,11-14,18H2,1-3H3,(H,33,38)/t29-,31?/m1/s1
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n/an/a<5n/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 US10174024 (2019)

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


(Homo sapiens (Human))
BDBM320308
PNG
(US10174024, Example 25 | tert-Butyl 4-[3-(dimethyl...)
Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1c(ccc(N3CCN(CC3)C(=O)OC(C)(C)C)c21)S(C)(=O)=O
Show InChI InChI=1S/C37H45N7O5S/c1-24-33(41(5)40-39-24)27-22-29-32(38-23-27)31-28(42-16-18-43(19-17-42)36(45)49-37(2,3)4)12-13-30(50(6,46)47)35(31)44(29)34(25-10-8-7-9-11-25)26-14-20-48-21-15-26/h7-13,22-23,26,34H,14-21H2,1-6H3/t34-/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 US10174024 (2019)

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


(Homo sapiens (Human))
BDBM320309
PNG
(2-{6-Methanesulfonyl-3-[4-(2H3)methyl-1-methyl-1H-...)
Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1c(ccc(N3CCCS3(=O)=O)c21)S(C)(=O)=O
Show InChI InChI=1S/C31H34N6O5S2/c1-20-29(35(2)34-33-20)23-18-25-28(32-19-23)27-24(36-14-7-17-44(36,40)41)10-11-26(43(3,38)39)31(27)37(25)30(21-8-5-4-6-9-21)22-12-15-42-16-13-22/h4-6,8-11,18-19,22,30H,7,12-17H2,1-3H3/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 US10174024 (2019)

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


(Homo sapiens (Human))
BDBM320331
PNG
(4-[3-(Dimethyl-1H-1,2,3-triazol-5-yl)-5-[(S)-oxan-...)
Show SMILES CN(C)C(=O)N1CCN(CC1)c1ccc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(cnc21)-c1c(C)nnn1C
Show InChI InChI=1S/C34H40N8O2/c1-23-32(39(4)37-36-23)26-20-30-31(35-22-26)28-11-10-27(40-14-16-41(17-15-40)34(43)38(2)3)21-29(28)42(30)33(24-8-6-5-7-9-24)25-12-18-44-19-13-25/h5-11,20-22,25,33H,12-19H2,1-4H3/t33-/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 US10174024 (2019)

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


(Homo sapiens (Human))
BDBM320343
PNG
(2-{6-Fluoro-5-[(S)-(3-fluoropyridin-2-yl)(oxan-4-y...)
Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ncccc1F)c1c(F)c(ccc21)N1CCCS1(=O)=O
Show InChI InChI=1S/C29H29F2N7O3S/c1-17-27(36(2)35-34-17)19-15-23-25(33-16-19)20-6-7-22(37-11-4-14-42(37,39)40)24(31)29(20)38(23)28(18-8-12-41-13-9-18)26-21(30)5-3-10-32-26/h3,5-7,10,15-16,18,28H,4,8-9,11-14H2,1-2H3/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 US10174024 (2019)

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


(Homo sapiens (Human))
BDBM320289
PNG
(1-{4-[3-(Dimethyl-1,2-oxazol-4-yl)-5-[(S)-oxan-4-y...)
Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1ccc(cc21)N1CCN(CC1)C(=O)CO
Show InChI InChI=1S/C33H37N7O3/c1-22-32(37(2)36-35-22)25-18-29-31(34-20-25)27-19-26(38-12-14-39(15-13-38)30(42)21-41)8-9-28(27)40(29)33(23-6-4-3-5-7-23)24-10-16-43-17-11-24/h3-9,18-20,24,33,41H,10-17,21H2,1-2H3/t33-/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 US10174024 (2019)

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


(Homo sapiens (Human))
BDBM320292
PNG
(5-[3-(Dimethyl-1H-1,2,3-triazol-5-yl)-5-[(S)-oxan-...)
Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(ccc21)C1(C)CNC(=O)O1
Show InChI InChI=1S/C31H32N6O3/c1-19-28(36(3)35-34-19)22-15-26-27(32-17-22)24-10-9-23(31(2)18-33-30(38)40-31)16-25(24)37(26)29(20-7-5-4-6-8-20)21-11-13-39-14-12-21/h4-10,15-17,21,29H,11-14,18H2,1-3H3,(H,33,38)/t29-,31?/m1/s1
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n/an/a<5n/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 US10174024 (2019)

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


(Homo sapiens (Human))
BDBM320304
PNG
(1-[3-(Dimethyl-1H-1,2,3-triazol-5-yl)-6-methanesul...)
Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1c(ccc(N3CCNCC3)c21)S(C)(=O)=O
Show InChI InChI=1S/C32H37N7O3S/c1-21-30(37(2)36-35-21)24-19-26-29(34-20-24)28-25(38-15-13-33-14-16-38)9-10-27(43(3,40)41)32(28)39(26)31(22-7-5-4-6-8-22)23-11-17-42-18-12-23/h4-10,19-20,23,31,33H,11-18H2,1-3H3/t31-/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 US10174024 (2019)

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


(Homo sapiens (Human))
BDBM320357
PNG
(1-{5-[(4,4-Difluorocyclohexyl)(phenyl)methyl]-3-(d...)
Show SMILES Cc1n[nH]n(C)c1-c1cnc2c(c1)n(C(C1CCC(F)(F)CC1)c1ccccc1)c1cc(ccc21)N1CCC(F)(F)CC1
Show InChI InChI=1S/C33H34F4N6/c1-21-30(41(2)40-39-21)24-18-28-29(38-20-24)26-9-8-25(42-16-14-33(36,37)15-17-42)19-27(26)43(28)31(22-6-4-3-5-7-22)23-10-12-32(34,35)13-11-23/h3-9,18-20,23,31H,10-17H2,1-2H3
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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 US10174024 (2019)

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


(Homo sapiens (Human))
BDBM320357
PNG
(1-{5-[(4,4-Difluorocyclohexyl)(phenyl)methyl]-3-(d...)
Show SMILES Cc1n[nH]n(C)c1-c1cnc2c(c1)n(C(C1CCC(F)(F)CC1)c1ccccc1)c1cc(ccc21)N1CCC(F)(F)CC1
Show InChI InChI=1S/C33H34F4N6/c1-21-30(41(2)40-39-21)24-18-28-29(38-20-24)26-9-8-25(42-16-14-33(36,37)15-17-42)19-27(26)43(28)31(22-6-4-3-5-7-22)23-10-12-32(34,35)13-11-23/h3-9,18-20,23,31H,10-17H2,1-2H3
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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 US10174024 (2019)

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


(Homo sapiens (Human))
BDBM320306
PNG
(1-[3-(Dimethyl-1H-1,2,3-triazol-5-yl)-6-methanesul...)
Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1c(ccc(N3CCN(CC3)C3COC3)c21)S(C)(=O)=O
Show InChI InChI=1S/C35H41N7O4S/c1-23-33(39(2)38-37-23)26-19-29-32(36-20-26)31-28(41-15-13-40(14-16-41)27-21-46-22-27)9-10-30(47(3,43)44)35(31)42(29)34(24-7-5-4-6-8-24)25-11-17-45-18-12-25/h4-10,19-20,25,27,34H,11-18,21-22H2,1-3H3/t34-/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 US10174024 (2019)

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


(Homo sapiens (Human))
BDBM320349
PNG
(4-{5-[(3-Fluoropyridin-2-yl)(oxan-4-yl)methyl]-3-[...)
Show SMILES Cc1n[nH]n(C)c1-c1cnc2c(c1)n(C(C1CCOCC1)c1ncccc1F)c1cc(ccc21)N1CCS(=O)(=O)CC1
Show InChI InChI=1S/C30H32FN7O3S/c1-19-29(36(2)35-34-19)21-16-26-27(33-18-21)23-6-5-22(37-10-14-42(39,40)15-11-37)17-25(23)38(26)30(20-7-12-41-13-8-20)28-24(31)4-3-9-32-28/h3-6,9,16-18,20,30H,7-8,10-15H2,1-2H3
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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 US10174024 (2019)

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


(Homo sapiens (Human))
BDBM320359
PNG
(1-{5-[(4,4-Difluorocyclohexyl)(phenyl)methyl]-3-(d...)
Show SMILES Cc1n[nH]n(C)c1-c1cnc2c(c1)n(C(C1CCC(F)(F)CC1)c1ccccc1)c1cc(ccc21)N1CCC(CC1)C(F)(F)F
Show InChI InChI=1S/C34H35F5N6/c1-21-31(43(2)42-41-21)24-18-29-30(40-20-24)27-9-8-26(44-16-12-25(13-17-44)34(37,38)39)19-28(27)45(29)32(22-6-4-3-5-7-22)23-10-14-33(35,36)15-11-23/h3-9,18-20,23,25,32H,10-17H2,1-2H3
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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 US10174024 (2019)

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


(Homo sapiens (Human))
BDBM320286
PNG
((2R,6S)-4-[3-(Dimethyl-1H-1,2,3-triazol-5-yl)-5-[(...)
Show SMILES C[C@H]1CN(C[C@@H](C)O1)c1ccc2n([C@@H](C3CCOCC3)c3ccccc3)c3cc(cnc3c2c1)-c1c(C)nnn1C
Show InChI InChI=1S/C33H38N6O2/c1-21-19-38(20-22(2)41-21)27-10-11-29-28(17-27)31-30(16-26(18-34-31)32-23(3)35-36-37(32)4)39(29)33(24-8-6-5-7-9-24)25-12-14-40-15-13-25/h5-11,16-18,21-22,25,33H,12-15,19-20H2,1-4H3/t21-,22+,33-/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 US10174024 (2019)

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


(Homo sapiens (Human))
BDBM320296
PNG
(1-[3-(Dimethyl-1H-1,2,3-triazol-5-yl)-5-[(S)-oxan-...)
Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1ccc(cc21)N1CCNCC1
Show InChI InChI=1S/C31H35N7O/c1-21-30(36(2)35-34-21)24-18-28-29(33-20-24)26-19-25(37-14-12-32-13-15-37)8-9-27(26)38(28)31(22-6-4-3-5-7-22)23-10-16-39-17-11-23/h3-9,18-20,23,31-32H,10-17H2,1-2H3/t31-/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 US10174024 (2019)

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


(Homo sapiens (Human))
BDBM320305
PNG
(2-{4-[3-(Dimethyl-1H-1,2,3-triazol-5-yl)-6-methane...)
Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1c(ccc(N3CCN(CC(N)=O)CC3)c21)S(C)(=O)=O
Show InChI InChI=1S/C34H40N8O4S/c1-22-32(39(2)38-37-22)25-19-27-31(36-20-25)30-26(41-15-13-40(14-16-41)21-29(35)43)9-10-28(47(3,44)45)34(30)42(27)33(23-7-5-4-6-8-23)24-11-17-46-18-12-24/h4-10,19-20,24,33H,11-18,21H2,1-3H3,(H2,35,43)/t33-/m1/s1
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Bristol-Myers Squibb Company

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


US Patent US10174024 (2019)

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


(Homo sapiens (Human))
BDBM320326
PNG
(2-{5-[(S)-(4-Fluorophenyl)(oxan-4-yl)methyl]-3-[4-...)
Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccc(F)cc1)c1ccc(cc21)N1CCc2ccccc2C1
Show InChI InChI=1S/C36H35FN6O/c1-23-35(41(2)40-39-23)28-19-33-34(38-21-28)31-20-30(42-16-13-24-5-3-4-6-27(24)22-42)11-12-32(31)43(33)36(26-14-17-44-18-15-26)25-7-9-29(37)10-8-25/h3-12,19-21,26,36H,13-18,22H2,1-2H3/t36-/m1/s1
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Bristol-Myers Squibb Company

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


US Patent US10174024 (2019)

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


(Homo sapiens (Human))
BDBM320341
PNG
(1-{6-Fluoro-3-[4-(2H3)methyl-1-methyl-1H-1,2,3-tri...)
Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1c(F)c(ccc21)N1CCNC1=O
Show InChI InChI=1S/C30H30FN7O2/c1-18-27(36(2)35-34-18)21-16-24-26(33-17-21)22-8-9-23(37-13-12-32-30(37)39)25(31)29(22)38(24)28(19-6-4-3-5-7-19)20-10-14-40-15-11-20/h3-9,16-17,20,28H,10-15H2,1-2H3,(H,32,39)/t28-/m1/s1
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Bristol-Myers Squibb Company

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


US Patent US10174024 (2019)

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


(Homo sapiens (Human))
BDBM320291
PNG
(2-{4-[3-(Dimethyl-1H-1,2,3-triazol-5-yl)-5-[(S)-ox...)
Show SMILES CC(=O)OCC(=O)N1CCC(CC1)c1ccc2n([C@@H](C3CCOCC3)c3ccccc3)c3cc(cnc3c2c1)-c1c(C)nnn1C
Show InChI InChI=1S/C36H40N6O4/c1-23-35(40(3)39-38-23)29-20-32-34(37-21-29)30-19-28(25-11-15-41(16-12-25)33(44)22-46-24(2)43)9-10-31(30)42(32)36(26-7-5-4-6-8-26)27-13-17-45-18-14-27/h4-10,19-21,25,27,36H,11-18,22H2,1-3H3/t36-/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 US10174024 (2019)

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


(Homo sapiens (Human))
BDBM320298
PNG
(1-[3-(Dimethyl-1H-1,2,3-triazol-5-yl)-5-[(S)-oxan-...)
Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1ccc(cc21)N1CCN(CC1)C1COC1
Show InChI InChI=1S/C34H39N7O2/c1-23-33(38(2)37-36-23)26-18-31-32(35-20-26)29-19-27(39-12-14-40(15-13-39)28-21-43-22-28)8-9-30(29)41(31)34(24-6-4-3-5-7-24)25-10-16-42-17-11-25/h3-9,18-20,25,28,34H,10-17,21-22H2,1-2H3/t34-/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 US10174024 (2019)

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


(Homo sapiens (Human))
BDBM320310
PNG
(2-({3,7-Bis[4-(2H3)methyl-1-methyl-1H-1,2,3-triazo...)
Show SMILES Cc1nnn(C)c1-c1ccc2c(c1)n(C(C1CCOCC1)c1ncccc1F)c1cc(cnc21)-c1c(C)[nH]nn1C
Show InChI InChI=1S/C30H30FN9O/c1-17-28(38(3)36-34-17)20-7-8-22-24(14-20)40(25-15-21(16-33-26(22)25)29-18(2)35-37-39(29)4)30(19-9-12-41-13-10-19)27-23(31)6-5-11-32-27/h5-8,11,14-16,19,30H,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 US10174024 (2019)

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


(Homo sapiens (Human))
BDBM320312
PNG
(4-(2H3)Methoxy-5-{7-[4-(2H)methoxy-1-methyl-1H-1,2...)
Show SMILES [H][O]([H])[H]#Cc1nnn(C)c1-c1ccc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(cnc21)-c1c(OC)nnn1C
Show InChI InChI=1S/C31H32N8O3/c1-37-29(24(18-43-40)33-35-37)21-9-10-23-25(15-21)39(28(19-7-5-4-6-8-19)20-11-13-42-14-12-20)26-16-22(17-32-27(23)26)30-31(41-3)34-36-38(30)2/h4-10,15-17,20,28H,11-14,40H2,1-3H3/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 US10174024 (2019)

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


(Homo sapiens (Human))
BDBM320325
PNG
(1-{5-[(S)-(2-Fluorophenyl)(oxan-4-yl)methyl]-3-[4-...)
Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1F)c1ccc(cc21)N1CCN(CC1)S(C)(=O)=O
Show InChI InChI=1S/C32H36FN7O3S/c1-21-31(37(2)36-35-21)23-18-29-30(34-20-23)26-19-24(38-12-14-39(15-13-38)44(3,41)42)8-9-28(26)40(29)32(22-10-16-43-17-11-22)25-6-4-5-7-27(25)33/h4-9,18-20,22,32H,10-17H2,1-3H3/t32-/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 US10174024 (2019)

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


(Homo sapiens (Human))
BDBM320349
PNG
(4-{5-[(3-Fluoropyridin-2-yl)(oxan-4-yl)methyl]-3-[...)
Show SMILES Cc1n[nH]n(C)c1-c1cnc2c(c1)n(C(C1CCOCC1)c1ncccc1F)c1cc(ccc21)N1CCS(=O)(=O)CC1
Show InChI InChI=1S/C30H32FN7O3S/c1-19-29(36(2)35-34-19)21-16-26-27(33-18-21)23-6-5-22(37-10-14-42(39,40)15-11-37)17-25(23)38(26)30(20-7-12-41-13-8-20)28-24(31)4-3-9-32-28/h3-6,9,16-18,20,30H,7-8,10-15H2,1-2H3
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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 US10174024 (2019)

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


(Homo sapiens (Human))
BDBM320313
PNG
(4-Methoxy-5-{7-[4-methoxy-1-(2H3)methyl-1H-1,2,3-t...)
Show SMILES COc1nnn(C)c1-c1ccc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(cnc21)-c1c(OC)nnn1C
Show InChI InChI=1S/C31H32N8O3/c1-37-28(30(40-3)33-35-37)21-10-11-23-24(16-21)39(27(19-8-6-5-7-9-19)20-12-14-42-15-13-20)25-17-22(18-32-26(23)25)29-31(41-4)34-36-38(29)2/h5-11,16-18,20,27H,12-15H2,1-4H3/t27-/m1/s1
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 US10174024 (2019)

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


(Homo sapiens (Human))
BDBM320285
PNG
(1,4-Dimethyl-5-{5-[(S)-oxan-4-yl(phenyl)methyl]-7-...)
Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(ccc21)-c1ccon1
Show InChI InChI=1S/C30H28N6O2/c1-19-29(35(2)34-32-19)23-17-27-28(31-18-23)24-9-8-22(25-12-15-38-33-25)16-26(24)36(27)30(20-6-4-3-5-7-20)21-10-13-37-14-11-21/h3-9,12,15-18,21,30H,10-11,13-14H2,1-2H3/t30-/m1/s1
PDB

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Bristol-Myers Squibb Company

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


US Patent US10174024 (2019)

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


(Homo sapiens (Human))
BDBM320288
PNG
(US10174024, Example 5 | tert-Butyl 4-[3-(dimethyl-...)
Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1ccc(cc21)C1CCN(CC1)C(=O)OC(C)(C)C
Show InChI InChI=1S/C37H44N6O3/c1-24-34(41(5)40-39-24)29-22-32-33(38-23-29)30-21-28(25-13-17-42(18-14-25)36(44)46-37(2,3)4)11-12-31(30)43(32)35(26-9-7-6-8-10-26)27-15-19-45-20-16-27/h6-12,21-23,25,27,35H,13-20H2,1-5H3/t35-/m1/s1
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 US10174024 (2019)

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


(Homo sapiens (Human))
BDBM320297
PNG
(2-{4-[3-(Dimethyl-1H-1,2,3-triazol-5-yl)-5-[(S)-ox...)
Show SMILES CC(=O)OCC(=O)N1CCN(CC1)c1ccc2n([C@@H](C3CCOCC3)c3ccccc3)c3cc(cnc3c2c1)-c1c(C)nnn1C
Show InChI InChI=1S/C35H39N7O4/c1-23-34(39(3)38-37-23)27-19-31-33(36-21-27)29-20-28(40-13-15-41(16-14-40)32(44)22-46-24(2)43)9-10-30(29)42(31)35(25-7-5-4-6-8-25)26-11-17-45-18-12-26/h4-10,19-21,26,35H,11-18,22H2,1-3H3/t35-/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 US10174024 (2019)

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


(Homo sapiens (Human))
BDBM320307
PNG
(4-{6-Methanesulfonyl-3-[4-(2H3)methyl-1-methyl-1H-...)
Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1c(ccc(N3CCS(=O)(=O)CC3)c21)S(C)(=O)=O
Show InChI InChI=1S/C32H36N6O5S2/c1-21-30(36(2)35-34-21)24-19-26-29(33-20-24)28-25(37-13-17-45(41,42)18-14-37)9-10-27(44(3,39)40)32(28)38(26)31(22-7-5-4-6-8-22)23-11-15-43-16-12-23/h4-10,19-20,23,31H,11-18H2,1-3H3/t31-/m1/s1
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 US10174024 (2019)

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


(Homo sapiens (Human))
BDBM320310
PNG
(2-({3,7-Bis[4-(2H3)methyl-1-methyl-1H-1,2,3-triazo...)
Show SMILES Cc1nnn(C)c1-c1ccc2c(c1)n(C(C1CCOCC1)c1ncccc1F)c1cc(cnc21)-c1c(C)[nH]nn1C
Show InChI InChI=1S/C30H30FN9O/c1-17-28(38(3)36-34-17)20-7-8-22-24(14-20)40(25-15-21(16-33-26(22)25)29-18(2)35-37-39(29)4)30(19-9-12-41-13-10-19)27-23(31)6-5-11-32-27/h5-8,11,14-16,19,30H,9-10,12-13H2,1-4H3
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 US10174024 (2019)

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


(Homo sapiens (Human))
BDBM320322
PNG
(4-{5-[(S)-(4-Fluorophenyl)(oxan-4-yl)methyl]-3-[4-...)
Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccc(F)cc1)c1ccc(cc21)N1CCS(=O)(=O)CC1
Show InChI InChI=1S/C31H33FN6O3S/c1-20-30(36(2)35-34-20)23-17-28-29(33-19-23)26-18-25(37-11-15-42(39,40)16-12-37)7-8-27(26)38(28)31(22-9-13-41-14-10-22)21-3-5-24(32)6-4-21/h3-8,17-19,22,31H,9-16H2,1-2H3/t31-/m1/s1
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 US10174024 (2019)

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


(Homo sapiens (Human))
BDBM320332
PNG
(4-[3-(Dimethyl-1H-1,2,3-triazol-5-yl)-5-[(S)-oxan-...)
Show SMILES CN(C)S(=O)(=O)N1CCN(CC1)c1ccc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(cnc21)-c1c(C)nnn1C
Show InChI InChI=1S/C33H40N8O3S/c1-23-32(38(4)36-35-23)26-20-30-31(34-22-26)28-11-10-27(39-14-16-40(17-15-39)45(42,43)37(2)3)21-29(28)41(30)33(24-8-6-5-7-9-24)25-12-18-44-19-13-25/h5-11,20-22,25,33H,12-19H2,1-4H3/t33-/m1/s1
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 US10174024 (2019)

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


(Homo sapiens (Human))
BDBM320284
PNG
(1,4-Dimethyl-5-[7-(1-methyl-1H-pyrazol-5-yl)-5-[(S...)
Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(ccc21)-c1ccnn1C
Show InChI InChI=1S/C31H31N7O/c1-20-30(37(3)35-34-20)24-18-28-29(32-19-24)25-10-9-23(26-11-14-33-36(26)2)17-27(25)38(28)31(21-7-5-4-6-8-21)22-12-15-39-16-13-22/h4-11,14,17-19,22,31H,12-13,15-16H2,1-3H3/t31-/m1/s1
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 US10174024 (2019)

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


(Homo sapiens (Human))
BDBM320295
PNG
(3-[3-(Dimethyl-1H-1,2,3-triazol-5-yl)-5-[(S)-oxan-...)
Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(ccc21)N1CCCOC1=O
Show InChI InChI=1S/C31H32N6O3/c1-20-29(35(2)34-33-20)23-17-27-28(32-19-23)25-10-9-24(36-13-6-14-40-31(36)38)18-26(25)37(27)30(21-7-4-3-5-8-21)22-11-15-39-16-12-22/h3-5,7-10,17-19,22,30H,6,11-16H2,1-2H3/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 US10174024 (2019)

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


(Homo sapiens (Human))
BDBM320299
PNG
(1,4-Dimethyl-5-{5-[(S)-oxan-4-yl(phenyl)methyl]-7-...)
Show SMILES CC(C)n1cc(cn1)-c1ccc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(cnc21)-c1c(C)nnn1C
Show InChI InChI=1S/C33H35N7O/c1-21(2)39-20-27(19-35-39)25-10-11-28-29(16-25)40(33(23-8-6-5-7-9-23)24-12-14-41-15-13-24)30-17-26(18-34-31(28)30)32-22(3)36-37-38(32)4/h5-11,16-21,24,33H,12-15H2,1-4H3/t33-/m1/s1
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 US10174024 (2019)

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


(Homo sapiens (Human))
BDBM320317
PNG
(2-{5-[(S)-(2-Fluorophenyl)(oxan-4-yl)methyl]-6-met...)
Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1F)c1c(ccc(N3CCCS3(=O)=O)c21)S(C)(=O)=O
Show InChI InChI=1S/C31H33FN6O5S2/c1-19-29(36(2)35-34-19)21-17-25-28(33-18-21)27-24(37-13-6-16-45(37,41)42)9-10-26(44(3,39)40)31(27)38(25)30(20-11-14-43-15-12-20)22-7-4-5-8-23(22)32/h4-5,7-10,17-18,20,30H,6,11-16H2,1-3H3/t30-/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 US10174024 (2019)

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


(Homo sapiens (Human))
BDBM320328
PNG
(4-{3-[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(ccc21)N1CCS(=O)(=O)CC1
Show InChI InChI=1S/C31H34N6O3S/c1-21-30(35(2)34-33-21)24-18-28-29(32-20-24)26-9-8-25(36-12-16-41(38,39)17-13-36)19-27(26)37(28)31(22-6-4-3-5-7-22)23-10-14-40-15-11-23/h3-9,18-20,23,31H,10-17H2,1-2H3/t31-/m1/s1
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 US10174024 (2019)

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


(Homo sapiens (Human))
BDBM320347
PNG
(2-{[7-(4,4-Difluoropiperidin-1-yl)-3-[4-(2H3)methy...)
Show SMILES Cc1n[nH]n(C)c1-c1cnc2c(c1)n(C(C1CCOCC1)c1ncccc1F)c1cc(ccc21)N1CCC(F)(F)CC1
Show InChI InChI=1S/C31H32F3N7O/c1-19-29(39(2)38-37-19)21-16-26-27(36-18-21)23-6-5-22(40-12-9-31(33,34)10-13-40)17-25(23)41(26)30(20-7-14-42-15-8-20)28-24(32)4-3-11-35-28/h3-6,11,16-18,20,30H,7-10,12-15H2,1-2H3
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n/an/a<5n/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 US10174024 (2019)

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


(Homo sapiens (Human))
BDBM320355
PNG
(1-{5-[(4,4-Difluorocyclohexyl)(phenyl)methyl]-6-me...)
Show SMILES Cc1[nH]nn(C)c1-c1cnc2c(c1)n(C(C1CCC(F)(F)CC1)c1ccccc1)c1c(C)ccc(N3CCC(F)(F)CC3)c21
Show InChI InChI=1S/C34H36F4N6/c1-21-9-10-26(43-17-15-34(37,38)16-18-43)28-29-27(19-25(20-39-29)31-22(2)40-41-42(31)3)44(30(21)28)32(23-7-5-4-6-8-23)24-11-13-33(35,36)14-12-24/h4-10,19-20,24,32H,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 US10174024 (2019)

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


(Homo sapiens (Human))
BDBM320309
PNG
(2-{6-Methanesulfonyl-3-[4-(2H3)methyl-1-methyl-1H-...)
Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1c(ccc(N3CCCS3(=O)=O)c21)S(C)(=O)=O
Show InChI InChI=1S/C31H34N6O5S2/c1-20-29(35(2)34-33-20)23-18-25-28(32-19-23)27-24(36-14-7-17-44(36,40)41)10-11-26(43(3,38)39)31(27)37(25)30(21-8-5-4-6-9-21)22-12-15-42-16-13-22/h4-6,8-11,18-19,22,30H,7,12-17H2,1-3H3/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 US10174024 (2019)

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


(Homo sapiens (Human))
BDBM320355
PNG
(1-{5-[(4,4-Difluorocyclohexyl)(phenyl)methyl]-6-me...)
Show SMILES Cc1[nH]nn(C)c1-c1cnc2c(c1)n(C(C1CCC(F)(F)CC1)c1ccccc1)c1c(C)ccc(N3CCC(F)(F)CC3)c21
Show InChI InChI=1S/C34H36F4N6/c1-21-9-10-26(43-17-15-34(37,38)16-18-43)28-29-27(19-25(20-39-29)31-22(2)40-41-42(31)3)44(30(21)28)32(23-7-5-4-6-8-23)24-11-13-33(35,36)14-12-24/h4-10,19-20,24,32H,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 US10174024 (2019)

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


(Homo sapiens (Human))
BDBM320324
PNG
(4-{5-[(S)-(2-Fluorophenyl)(oxan-4-yl)methyl]-3-[4-...)
Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1F)c1ccc(cc21)N1CCS(=O)(=O)CC1
Show InChI InChI=1S/C31H33FN6O3S/c1-20-30(36(2)35-34-20)22-17-28-29(33-19-22)25-18-23(37-11-15-42(39,40)16-12-37)7-8-27(25)38(28)31(21-9-13-41-14-10-21)24-5-3-4-6-26(24)32/h3-8,17-19,21,31H,9-16H2,1-2H3/t31-/m0/s1
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n/an/a<1.50E+3n/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 US10174024 (2019)

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


(Homo sapiens (Human))
BDBM320318
PNG
(2-{5-[(3-Fluoropyridin-2-yl)(oxan-4-yl)methyl]-6-m...)
Show SMILES Cc1[nH]nn(C)c1-c1cnc2c(c1)n(C(C1CCOCC1)c1ncccc1F)c1c(ccc(N3CCCS3(=O)=O)c21)S(C)(=O)=O
Show InChI InChI=1S/C30H32FN7O5S2/c1-18-28(36(2)35-34-18)20-16-23-27(33-17-20)25-22(37-12-5-15-45(37,41)42)7-8-24(44(3,39)40)30(25)38(23)29(19-9-13-43-14-10-19)26-21(31)6-4-11-32-26/h4,6-8,11,16-17,19,29H,5,9-10,12-15H2,1-3H3
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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 US10174024 (2019)

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