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Compile Data Set for Download or QSAR

Found 371 hits Enz. Inhib. hit(s) with all data for entry = 1573   
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 [1-477]/[333-460]/[44-168]/[44-460]


(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 |r|
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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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)


BindingDB Entry DOI: 10.7270/Q2P55QM6
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [1-477]/[333-460]/[44-168]/[44-460]


(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 |r|
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)


BindingDB Entry DOI: 10.7270/Q2P55QM6
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [1-477]/[333-460]/[44-168]/[44-460]


(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 |r|
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)


BindingDB Entry DOI: 10.7270/Q2P55QM6
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [1-477]/[333-460]/[44-168]/[44-460]


(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 |r|
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)


BindingDB Entry DOI: 10.7270/Q2P55QM6
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [1-477]/[333-460]/[44-168]/[44-460]


(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 |r|
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)


BindingDB Entry DOI: 10.7270/Q2P55QM6
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [1-477]/[333-460]/[44-168]/[44-460]


(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 |r|
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)


BindingDB Entry DOI: 10.7270/Q2P55QM6
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [1-477]/[333-460]/[44-168]/[44-460]


(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 |r|
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)


BindingDB Entry DOI: 10.7270/Q2P55QM6
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [1-477]/[333-460]/[44-168]/[44-460]


(Homo sapiens (Human))		BDBM331209
PNG
(10-Chloro-5-(dimethyl-1H-1,2,3-triazol-5-yl)-13-et...)
Show SMILES CCOc1ncc(Cl)c2n([C@@H](C3CCOCC3)c3ccccc3)c3cc(cnc3c12)-c1c(C)nnn1C |r|
Show InChI InChI=1S/C28H29ClN6O2/c1-4-37-28-23-24-22(14-20(15-30-24)25-17(2)32-33-34(25)3)35(27(23)21(29)16-31-28)26(18-8-6-5-7-9-18)19-10-12-36-13-11-19/h5-9,14-16,19,26H,4,10-13H2,1-3H3/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)


BindingDB Entry DOI: 10.7270/Q2P55QM6
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [1-477]/[333-460]/[44-168]/[44-460]


(Homo sapiens (Human))		BDBM331211
PNG
(5-(Dimethyl-1,2-oxazol-4-yl)-10-methanesulfonyl-13...)
Show SMILES COc1ncc(c2n([C@@H](C3CCOCC3)c3ccccc3)c3cc(cnc3c12)-c1c(C)noc1C)S(C)(=O)=O |r|
Show InChI InChI=1S/C29H30N4O5S/c1-17-24(18(2)38-32-17)21-14-22-26(30-15-21)25-28(23(39(4,34)35)16-31-29(25)36-3)33(22)27(19-8-6-5-7-9-19)20-10-12-37-13-11-20/h5-9,14-16,20,27H,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)


BindingDB Entry DOI: 10.7270/Q2P55QM6
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [1-477]/[333-460]/[44-168]/[44-460]


(Homo sapiens (Human))		BDBM331212
PNG
(5-(Dimethyl-1H-1,2,3-triazol-5-yl)-10-methanesulfo...)
Show SMILES COc1ncc(c2n([C@@H](C3CCOCC3)c3ccccc3)c3cc(cnc3c12)-c1c(C)nnn1C)S(C)(=O)=O |r|
Show InChI InChI=1S/C28H30N6O4S/c1-17-25(33(2)32-31-17)20-14-21-24(29-15-20)23-27(22(39(4,35)36)16-30-28(23)37-3)34(21)26(18-8-6-5-7-9-18)19-10-12-38-13-11-19/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)


BindingDB Entry DOI: 10.7270/Q2P55QM6
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [1-477]/[333-460]/[44-168]/[44-460]


(Homo sapiens (Human))		BDBM331215
PNG
(5-(Dimethyl-1,2-oxazol-4-yl)-8-[(S)-(4-fluoropheny...)
Show SMILES COc1ncc(c2n([C@@H](C3CCOCC3)c3ccc(F)cc3)c3cc(cnc3c12)-c1c(C)noc1C)S(C)(=O)=O |r|
Show InChI InChI=1S/C29H29FN4O5S/c1-16-24(17(2)39-33-16)20-13-22-26(31-14-20)25-28(23(40(4,35)36)15-32-29(25)37-3)34(22)27(19-9-11-38-12-10-19)18-5-7-21(30)8-6-18/h5-8,13-15,19,27H,9-12H2,1-4H3/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)


BindingDB Entry DOI: 10.7270/Q2P55QM6
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [1-477]/[333-460]/[44-168]/[44-460]


(Homo sapiens (Human))		BDBM331216
PNG
(5-(Dimethyl-1H-1,2,3-triazol-5-yl)-8-[(S)-(2-fluor...)
Show SMILES COc1ncc(c2n([C@@H](C3CCOCC3)c3ccccc3F)c3cc(cnc3c12)-c1c(C)nnn1C)S(C)(=O)=O |r|
Show InChI InChI=1S/C28H29FN6O4S/c1-16-25(34(2)33-32-16)18-13-21-24(30-14-18)23-27(22(40(4,36)37)15-31-28(23)38-3)35(21)26(17-9-11-39-12-10-17)19-7-5-6-8-20(19)29/h5-8,13-15,17,26H,9-12H2,1-4H3/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)


BindingDB Entry DOI: 10.7270/Q2P55QM6
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [1-477]/[333-460]/[44-168]/[44-460]


(Homo sapiens (Human))		BDBM331216
PNG
(5-(Dimethyl-1H-1,2,3-triazol-5-yl)-8-[(S)-(2-fluor...)
Show SMILES COc1ncc(c2n([C@@H](C3CCOCC3)c3ccccc3F)c3cc(cnc3c12)-c1c(C)nnn1C)S(C)(=O)=O |r|
Show InChI InChI=1S/C28H29FN6O4S/c1-16-25(34(2)33-32-16)18-13-21-24(30-14-18)23-27(22(40(4,36)37)15-31-28(23)38-3)35(21)26(17-9-11-39-12-10-17)19-7-5-6-8-20(19)29/h5-8,13-15,17,26H,9-12H2,1-4H3/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)


BindingDB Entry DOI: 10.7270/Q2P55QM6
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [1-477]/[333-460]/[44-168]/[44-460]


(Homo sapiens (Human))		BDBM331218
PNG
(5-(Dimethyl-1H-1,2,3-triazol-5-yl)-8-[(S)-(4-fluor...)
Show SMILES COc1ncc(c2n([C@@H](C3CCOCC3)c3ccc(F)cc3)c3cc(cnc3c12)-c1c(C)nnn1C)S(C)(=O)=O |r|
Show InChI InChI=1S/C28H29FN6O4S/c1-16-25(34(2)33-32-16)19-13-21-24(30-14-19)23-27(22(40(4,36)37)15-31-28(23)38-3)35(21)26(18-9-11-39-12-10-18)17-5-7-20(29)8-6-17/h5-8,13-15,18,26H,9-12H2,1-4H3/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)


BindingDB Entry DOI: 10.7270/Q2P55QM6
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [1-477]/[333-460]/[44-168]/[44-460]


(Homo sapiens (Human))		BDBM331219
PNG
(5-(Dimethyl-1H-1,2,3-triazol-5-yl)-13-ethoxy-10-me...)
Show SMILES CCOc1ncc(c2n([C@@H](C3CCOCC3)c3ccccc3)c3cc(cnc3c12)-c1c(C)nnn1C)S(C)(=O)=O |r|
Show InChI InChI=1S/C29H32N6O4S/c1-5-39-29-24-25-22(15-21(16-30-25)26-18(2)32-33-34(26)3)35(28(24)23(17-31-29)40(4,36)37)27(19-9-7-6-8-10-19)20-11-13-38-14-12-20/h6-10,15-17,20,27H,5,11-14H2,1-4H3/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)


BindingDB Entry DOI: 10.7270/Q2P55QM6
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [1-477]/[333-460]/[44-168]/[44-460]


(Homo sapiens (Human))		BDBM331219
PNG
(5-(Dimethyl-1H-1,2,3-triazol-5-yl)-13-ethoxy-10-me...)
Show SMILES CCOc1ncc(c2n([C@@H](C3CCOCC3)c3ccccc3)c3cc(cnc3c12)-c1c(C)nnn1C)S(C)(=O)=O |r|
Show InChI InChI=1S/C29H32N6O4S/c1-5-39-29-24-25-22(15-21(16-30-25)26-18(2)32-33-34(26)3)35(28(24)23(17-31-29)40(4,36)37)27(19-9-7-6-8-10-19)20-11-13-38-14-12-20/h6-10,15-17,20,27H,5,11-14H2,1-4H3/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)


BindingDB Entry DOI: 10.7270/Q2P55QM6
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [1-477]/[333-460]/[44-168]/[44-460]


(Homo sapiens (Human))		BDBM331223
PNG
(5-(Dimethyl-1H-1,2,3-triazol-5-yl)-10-methanesulfo...)
Show SMILES CC(C)Oc1ncc(c2n([C@@H](C3CCOCC3)c3ccccc3)c3cc(cnc3c12)-c1c(C)nnn1C)S(C)(=O)=O |r|
Show InChI InChI=1S/C30H34N6O4S/c1-18(2)40-30-25-26-23(15-22(16-31-26)27-19(3)33-34-35(27)4)36(29(25)24(17-32-30)41(5,37)38)28(20-9-7-6-8-10-20)21-11-13-39-14-12-21/h6-10,15-18,21,28H,11-14H2,1-5H3/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)


BindingDB Entry DOI: 10.7270/Q2P55QM6
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [1-477]/[333-460]/[44-168]/[44-460]


(Homo sapiens (Human))		BDBM331225
PNG
(13-(Cyclopropylmethoxy)-10-methanesulfonyl-5-[4-(2...)
Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1c(cnc(OCC3CC3)c21)S(C)(=O)=O |r|
Show InChI InChI=1S/C31H34N6O4S/c1-19-28(36(2)35-34-19)23-15-24-27(32-16-23)26-30(25(42(3,38)39)17-33-31(26)41-18-20-9-10-20)37(24)29(21-7-5-4-6-8-21)22-11-13-40-14-12-22/h4-8,15-17,20,22,29H,9-14,18H2,1-3H3/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)


BindingDB Entry DOI: 10.7270/Q2P55QM6
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [1-477]/[333-460]/[44-168]/[44-460]


(Homo sapiens (Human))		BDBM331227
PNG
(2-({10-Methanesulfonyl-5-[4-(2H3)methyl-1-methyl-1...)
Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1c(cnc(COCO)c21)S(C)(=O)=O |r|
Show InChI InChI=1S/C29H32N6O5S/c1-18-27(34(2)33-32-18)21-13-23-26(31-14-21)25-22(16-40-17-36)30-15-24(41(3,37)38)29(25)35(23)28(19-7-5-4-6-8-19)20-9-11-39-12-10-20/h4-8,13-15,20,28,36H,9-12,16-17H2,1-3H3/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 US9725449 (2017)


BindingDB Entry DOI: 10.7270/Q2P55QM6
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [1-477]/[333-460]/[44-168]/[44-460]


(Homo sapiens (Human))		BDBM331230
PNG
(8-[(3-Fluoropyridin-2-yl)(oxan-4-yl)methyl]-10-met...)
Show SMILES COc1ncc(c2n(C(C3CCOCC3)c3ncccc3F)c3cc(cnc3c12)-c1c(C)nnn1C)S(C)(=O)=O
Show InChI InChI=1S/C27H28FN7O4S/c1-15-24(34(2)33-32-15)17-12-19-23(30-13-17)21-26(20(40(4,36)37)14-31-27(21)38-3)35(19)25(16-7-10-39-11-8-16)22-18(28)6-5-9-29-22/h5-6,9,12-14,16,25H,7-8,10-11H2,1-4H3
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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)


BindingDB Entry DOI: 10.7270/Q2P55QM6
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [1-477]/[333-460]/[44-168]/[44-460]


(Homo sapiens (Human))		BDBM331242
PNG
(13-(Cyclopropylmethoxy)-8-[(S)-(2-fluorophenyl)(ox...)
Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1F)c1c(cnc(OCC3CC3)c21)S(C)(=O)=O |r|
Show InChI InChI=1S/C31H33FN6O4S/c1-18-28(37(2)36-35-18)21-14-24-27(33-15-21)26-30(25(43(3,39)40)16-34-31(26)42-17-19-8-9-19)38(24)29(20-10-12-41-13-11-20)22-6-4-5-7-23(22)32/h4-7,14-16,19-20,29H,8-13,17H2,1-3H3/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)


BindingDB Entry DOI: 10.7270/Q2P55QM6
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [1-477]/[333-460]/[44-168]/[44-460]


(Homo sapiens (Human))		BDBM331243
PNG
(13-Ethoxy-8-[(S)-(4-fluorophenyl)(oxan-4-yl)methyl...)
Show SMILES CCOc1ncc(c2n([C@@H](C3CCOCC3)c3ccc(F)cc3)c3cc(cnc3c12)-c1c(C)nnn1C)S(C)(=O)=O |r|
Show InChI InChI=1S/C29H31FN6O4S/c1-5-40-29-24-25-22(14-20(15-31-25)26-17(2)33-34-35(26)3)36(28(24)23(16-32-29)41(4,37)38)27(19-10-12-39-13-11-19)18-6-8-21(30)9-7-18/h6-9,14-16,19,27H,5,10-13H2,1-4H3/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)


BindingDB Entry DOI: 10.7270/Q2P55QM6
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [1-477]/[333-460]/[44-168]/[44-460]


(Homo sapiens (Human))		BDBM331245
PNG
(8-[(S)-(4-Fluorophenyl)(oxan-4-yl)methyl]-10-metha...)
Show SMILES CC(C)Oc1ncc(c2n([C@@H](C3CCOCC3)c3ccc(F)cc3)c3cc(cnc3c12)-c1c(C)nnn1C)S(C)(=O)=O |r|
Show InChI InChI=1S/C30H33FN6O4S/c1-17(2)41-30-25-26-23(14-21(15-32-26)27-18(3)34-35-36(27)4)37(29(25)24(16-33-30)42(5,38)39)28(20-10-12-40-13-11-20)19-6-8-22(31)9-7-19/h6-9,14-17,20,28H,10-13H2,1-5H3/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)


BindingDB Entry DOI: 10.7270/Q2P55QM6
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [1-477]/[333-460]/[44-168]/[44-460]


(Homo sapiens (Human))		BDBM331249
PNG
(10-Methanesulfonyl-13-methoxy-5-[4-(2H3)methyl-1-m...)
Show SMILES COc1ncc(c2n(C(C3CCOCC3)c3c(F)cc(F)cc3F)c3cc(cnc3c12)-c1c(C)nnn1C)S(C)(=O)=O
Show InChI InChI=1S/C28H27F3N6O4S/c1-14-25(36(2)35-34-14)16-9-20-24(32-12-16)23-27(21(42(4,38)39)13-33-28(23)40-3)37(20)26(15-5-7-41-8-6-15)22-18(30)10-17(29)11-19(22)31/h9-13,15,26H,5-8H2,1-4H3
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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)


BindingDB Entry DOI: 10.7270/Q2P55QM6
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [1-477]/[333-460]/[44-168]/[44-460]


(Homo sapiens (Human))		BDBM331251
PNG
(8-[(S)-(2-Fluorophenyl)(oxan-4-yl)methyl]-13-(3-fl...)
Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1F)c1c(cnc(OCCCF)c21)S(C)(=O)=O |r|
Show InChI InChI=1S/C30H32F2N6O4S/c1-18-27(37(2)36-35-18)20-15-23-26(33-16-20)25-29(24(43(3,39)40)17-34-30(25)42-12-6-11-31)38(23)28(19-9-13-41-14-10-19)21-7-4-5-8-22(21)32/h4-5,7-8,15-17,19,28H,6,9-14H2,1-3H3/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)


BindingDB Entry DOI: 10.7270/Q2P55QM6
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [1-477]/[333-460]/[44-168]/[44-460]


(Homo sapiens (Human))		BDBM331263
PNG
(N-[5-(Dimethyl-1H-1,2,3-triazol-5-yl)-10-methanesu...)
Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1c(cnc(NS(=O)(=O)C3CC3)c21)S(C)(=O)=O |r|
Show InChI InChI=1S/C30H33N7O5S2/c1-18-27(36(2)35-33-18)21-15-23-26(31-16-21)25-29(24(43(3,38)39)17-32-30(25)34-44(40,41)22-9-10-22)37(23)28(19-7-5-4-6-8-19)20-11-13-42-14-12-20/h4-8,15-17,20,22,28H,9-14H2,1-3H3,(H,32,34)/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)


BindingDB Entry DOI: 10.7270/Q2P55QM6
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [1-477]/[333-460]/[44-168]/[44-460]


(Homo sapiens (Human))		BDBM331265
PNG
(N-[5-(Dimethyl-1,2-oxazol-4-yl)-10-methanesulfonyl...)
Show SMILES CCS(=O)(=O)Nc1ncc(c2n([C@@H](C3CCOCC3)c3ccccc3)c3cc(cnc3c12)-c1c(C)noc1C)S(C)(=O)=O |r|
Show InChI InChI=1S/C30H33N5O6S2/c1-5-43(38,39)34-30-26-27-23(15-22(16-31-27)25-18(2)33-41-19(25)3)35(29(26)24(17-32-30)42(4,36)37)28(20-9-7-6-8-10-20)21-11-13-40-14-12-21/h6-10,15-17,21,28H,5,11-14H2,1-4H3,(H,32,34)/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)


BindingDB Entry DOI: 10.7270/Q2P55QM6
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [1-477]/[333-460]/[44-168]/[44-460]


(Homo sapiens (Human))		BDBM331278
PNG
(13-(2,2-Difluoroethoxy)-10-methanesulfonyl-5-[4-(2...)
Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1c(cnc(OCC(F)F)c21)S(C)(=O)=O |r|
Show InChI InChI=1S/C29H30F2N6O4S/c1-17-26(36(2)35-34-17)20-13-21-25(32-14-20)24-28(22(42(3,38)39)15-33-29(24)41-16-23(30)31)37(21)27(18-7-5-4-6-8-18)19-9-11-40-12-10-19/h4-8,13-15,19,23,27H,9-12,16H2,1-3H3/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)


BindingDB Entry DOI: 10.7270/Q2P55QM6
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [1-477]/[333-460]/[44-168]/[44-460]


(Homo sapiens (Human))		BDBM331281
PNG
(N-Ethyl-10-methanesulfonyl-N-methyl-5-[4-(2H3)meth...)
Show SMILES CCN(C)c1ncc(c2n([C@@H](C3CCOCC3)c3ccccc3)c3cc(cnc3c12)-c1c(C)nnn1C)S(C)(=O)=O |r|
Show InChI InChI=1S/C30H35N7O3S/c1-6-35(3)30-25-26-23(16-22(17-31-26)27-19(2)33-34-36(27)4)37(29(25)24(18-32-30)41(5,38)39)28(20-10-8-7-9-11-20)21-12-14-40-15-13-21/h7-11,16-18,21,28H,6,12-15H2,1-5H3/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)


BindingDB Entry DOI: 10.7270/Q2P55QM6
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [1-477]/[333-460]/[44-168]/[44-460]


(Homo sapiens (Human))		BDBM331282
PNG
(10-Methanesulfonyl-N-methyl-5-[4-(2H3)methyl-1-met...)
Show SMILES CC(C)N(C)c1ncc(c2n([C@@H](C3CCOCC3)c3ccccc3)c3cc(cnc3c12)-c1c(C)nnn1C)S(C)(=O)=O |r|
Show InChI InChI=1S/C31H37N7O3S/c1-19(2)36(4)31-26-27-24(16-23(17-32-27)28-20(3)34-35-37(28)5)38(30(26)25(18-33-31)42(6,39)40)29(21-10-8-7-9-11-21)22-12-14-41-15-13-22/h7-11,16-19,22,29H,12-15H2,1-6H3/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)


BindingDB Entry DOI: 10.7270/Q2P55QM6
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [1-477]/[333-460]/[44-168]/[44-460]


(Homo sapiens (Human))		BDBM331295
PNG
(13-Ethoxy-5-[4-(2H3)methyl-1-methyl-1H-1,2,3-triaz...)
Show SMILES CCOc1nccc2n([C@@H](C3CCOCC3)c3ccccc3)c3cc(cnc3c12)-c1c(C)nnn1C |r|
Show InChI InChI=1S/C28H30N6O2/c1-4-36-28-24-22(10-13-29-28)34(27(19-8-6-5-7-9-19)20-11-14-35-15-12-20)23-16-21(17-30-25(23)24)26-18(2)31-32-33(26)3/h5-10,13,16-17,20,27H,4,11-12,14-15H2,1-3H3/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)


BindingDB Entry DOI: 10.7270/Q2P55QM6
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [1-477]/[333-460]/[44-168]/[44-460]


(Homo sapiens (Human))		BDBM331299
PNG
(N-(2,2-Difluoroethyl)-5-[4-(2H3)methyl-1-methyl-1H...)
Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1ccnc(NCC(F)F)c21 |r|
Show InChI InChI=1S/C28H29F2N7O/c1-17-26(36(2)35-34-17)20-14-22-25(32-15-20)24-21(8-11-31-28(24)33-16-23(29)30)37(22)27(18-6-4-3-5-7-18)19-9-12-38-13-10-19/h3-8,11,14-15,19,23,27H,9-10,12-13,16H2,1-2H3,(H,31,33)/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)


BindingDB Entry DOI: 10.7270/Q2P55QM6
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [1-477]/[333-460]/[44-168]/[44-460]


(Homo sapiens (Human))		BDBM331300
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)c1ccnc(NCC(F)(F)F)c21 |r|
Show InChI InChI=1S/C28H28F3N7O/c1-17-25(37(2)36-35-17)20-14-22-24(33-15-20)23-21(8-11-32-27(23)34-16-28(29,30)31)38(22)26(18-6-4-3-5-7-18)19-9-12-39-13-10-19/h3-8,11,14-15,19,26H,9-10,12-13,16H2,1-2H3,(H,32,34)/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)


BindingDB Entry DOI: 10.7270/Q2P55QM6
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [1-477]/[333-460]/[44-168]/[44-460]


(Homo sapiens (Human))		BDBM331329
PNG
(5,11-Bis(dimethyl-1H-1,2,3-triazol-5-yl)-8-[(S)-ox...)
Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1nc(ccc21)-c1c(C)nnn1C |r|
Show InChI InChI=1S/C30H31N9O/c1-18-27(37(3)35-33-18)22-16-25-26(31-17-22)23-10-11-24(28-19(2)34-36-38(28)4)32-30(23)39(25)29(20-8-6-5-7-9-20)21-12-14-40-15-13-21/h5-11,16-17,21,29H,12-15H2,1-4H3/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)


BindingDB Entry DOI: 10.7270/Q2P55QM6
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [1-477]/[333-460]/[44-168]/[44-460]


(Homo sapiens (Human))		BDBM331334
PNG
(5,11-Bis[4-(2H3)methyl-1-methyl-1H-1,2,3-triazol-5...)
Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(ncc21)-c1c(C)nnn1C |r|
Show InChI InChI=1S/C30H31N9O/c1-18-28(37(3)35-33-18)22-14-26-27(32-16-22)23-17-31-24(29-19(2)34-36-38(29)4)15-25(23)39(26)30(20-8-6-5-7-9-20)21-10-12-40-13-11-21/h5-9,14-17,21,30H,10-13H2,1-4H3/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)


BindingDB Entry DOI: 10.7270/Q2P55QM6
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [1-477]/[333-460]/[44-168]/[44-460]


(Homo sapiens (Human))		BDBM331340
PNG
(2-[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)C(C)(C)O |r|
Show InChI InChI=1S/C29H32N6O2/c1-18-26(34(4)33-32-18)21-16-23-25(30-17-21)22-10-11-24(29(2,3)36)31-28(22)35(23)27(19-8-6-5-7-9-19)20-12-14-37-15-13-20/h5-11,16-17,20,27,36H,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 US9725449 (2017)


BindingDB Entry DOI: 10.7270/Q2P55QM6
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [1-477]/[333-460]/[44-168]/[44-460]


(Homo sapiens (Human))		BDBM331340
PNG
(2-[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)C(C)(C)O |r|
Show InChI InChI=1S/C29H32N6O2/c1-18-26(34(4)33-32-18)21-16-23-25(30-17-21)22-10-11-24(29(2,3)36)31-28(22)35(23)27(19-8-6-5-7-9-19)20-12-14-37-15-13-20/h5-11,16-17,20,27,36H,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 US9725449 (2017)


BindingDB Entry DOI: 10.7270/Q2P55QM6
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [1-477]/[333-460]/[44-168]/[44-460]


(Homo sapiens (Human))		BDBM331344
PNG
(5-(Dimethyl-1H-1,2,3-triazol-5-yl)-11-(morpholin-4...)
Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1nc(ccc21)N1CCOCC1 |r|
Show InChI InChI=1S/C30H33N7O2/c1-20-28(35(2)34-33-20)23-18-25-27(31-19-23)24-8-9-26(36-12-16-39-17-13-36)32-30(24)37(25)29(21-6-4-3-5-7-21)22-10-14-38-15-11-22/h3-9,18-19,22,29H,10-17H2,1-2H3/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 US9725449 (2017)


BindingDB Entry DOI: 10.7270/Q2P55QM6
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [1-477]/[333-460]/[44-168]/[44-460]


(Homo sapiens (Human))		BDBM331345
PNG
(1-[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)N1CC(O)C1 |r|
Show InChI InChI=1S/C29H31N7O2/c1-18-27(34(2)33-32-18)21-14-24-26(30-15-21)23-8-9-25(35-16-22(37)17-35)31-29(23)36(24)28(19-6-4-3-5-7-19)20-10-12-38-13-11-20/h3-9,14-15,20,22,28,37H,10-13,16-17H2,1-2H3/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 US9725449 (2017)


BindingDB Entry DOI: 10.7270/Q2P55QM6
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [1-477]/[333-460]/[44-168]/[44-460]


(Homo sapiens (Human))		BDBM331346
PNG
(1-[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)N1CCC(C)(O)CC1 |r|
Show InChI InChI=1S/C32H37N7O2/c1-21-29(37(3)36-35-21)24-19-26-28(33-20-24)25-9-10-27(38-15-13-32(2,40)14-16-38)34-31(25)39(26)30(22-7-5-4-6-8-22)23-11-17-41-18-12-23/h4-10,19-20,23,30,40H,11-18H2,1-3H3/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)


BindingDB Entry DOI: 10.7270/Q2P55QM6
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [1-477]/[333-460]/[44-168]/[44-460]


(Homo sapiens (Human))		BDBM331347
PNG
(5-(Dimethyl-1H-1,2,3-triazol-5-yl)-N,N-dimethyl-8-...)
Show SMILES CN(C)c1ccc2c(n1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(cnc21)-c1c(C)nnn1C |r|
Show InChI InChI=1S/C28H31N7O/c1-18-26(34(4)32-31-18)21-16-23-25(29-17-21)22-10-11-24(33(2)3)30-28(22)35(23)27(19-8-6-5-7-9-19)20-12-14-36-15-13-20/h5-11,16-17,20,27H,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 US9725449 (2017)


BindingDB Entry DOI: 10.7270/Q2P55QM6
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [1-477]/[333-460]/[44-168]/[44-460]


(Homo sapiens (Human))		BDBM331354
PNG
(5-(Dimethyl-1H-1,2,3-triazol-5-yl)-11-(4-methanesu...)
Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1nc(ccc21)N1CCN(CC1)S(C)(=O)=O |r|
Show InChI InChI=1S/C31H36N8O3S/c1-21-29(36(2)35-34-21)24-19-26-28(32-20-24)25-9-10-27(37-13-15-38(16-14-37)43(3,40)41)33-31(25)39(26)30(22-7-5-4-6-8-22)23-11-17-42-18-12-23/h4-10,19-20,23,30H,11-18H2,1-3H3/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)


BindingDB Entry DOI: 10.7270/Q2P55QM6
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [1-477]/[333-460]/[44-168]/[44-460]


(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 |r|
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)


BindingDB Entry DOI: 10.7270/Q2P55QM6
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [1-477]/[333-460]/[44-168]/[44-460]


(Homo sapiens (Human))		BDBM331358
PNG
(5-(Dimethyl-1H-1,2,3-triazol-5-yl)-11-(4-methanesu...)
Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1nc(ccc21)N1CCC(CC1)S(C)(=O)=O |r|
Show InChI InChI=1S/C32H37N7O3S/c1-21-30(37(2)36-35-21)24-19-27-29(33-20-24)26-9-10-28(38-15-11-25(12-16-38)43(3,40)41)34-32(26)39(27)31(22-7-5-4-6-8-22)23-13-17-42-18-14-23/h4-10,19-20,23,25,31H,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 US9725449 (2017)


BindingDB Entry DOI: 10.7270/Q2P55QM6
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [1-477]/[333-460]/[44-168]/[44-460]


(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 |r|
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)


BindingDB Entry DOI: 10.7270/Q2P55QM6
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [1-477]/[333-460]/[44-168]/[44-460]


(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 |r|
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)


BindingDB Entry DOI: 10.7270/Q2P55QM6
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [1-477]/[333-460]/[44-168]/[44-460]


(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 |r|
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)


BindingDB Entry DOI: 10.7270/Q2P55QM6
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [1-477]/[333-460]/[44-168]/[44-460]


(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 |r|
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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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)


BindingDB Entry DOI: 10.7270/Q2P55QM6
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [1-477]/[333-460]/[44-168]/[44-460]


(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 |r|
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
PDB
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UniProtKB/SwissProt

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US Patent
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)


BindingDB Entry DOI: 10.7270/Q2P55QM6
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [1-477]/[333-460]/[44-168]/[44-460]


(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 |r|
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
PDB
MMDB

Reactome pathway
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UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
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)


BindingDB Entry DOI: 10.7270/Q2P55QM6
More data for this
Ligand-Target Pair
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