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Compile Data Set for Download or QSAR

Found 448 hits with Last Name = 'starrett, jr.' and Initial = 'je'   
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))		BDBM331355
PNG
(N-(2-Methanesulfonylethyl)-5-[4-(2H3)methyl-1-meth...)
Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1nc(NCCS(C)(=O)=O)ccc21 |r|
Show InChI InChI=1S/C29H33N7O3S/c1-19-27(35(2)34-33-19)22-17-24-26(31-18-22)23-9-10-25(30-13-16-40(3,37)38)32-29(23)36(24)28(20-7-5-4-6-8-20)21-11-14-39-15-12-21/h4-10,17-18,21,28H,11-16H2,1-3H3,(H,30,32)/t28-/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))		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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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))		BDBM331380
PNG
(5-[5-(Dimethyl-1H-1,2,3-triazol-5-yl)-8-[(S)-oxan-...)
Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1nc(ccc21)N1CC2CC1CS2(=O)=O |r,TLB:29:33:39.38:36|
Show InChI InChI=1S/C31H33N7O3S/c1-19-29(36(2)35-34-19)22-14-26-28(32-16-22)25-8-9-27(37-17-24-15-23(37)18-42(24,39)40)33-31(25)38(26)30(20-6-4-3-5-7-20)21-10-12-41-13-11-21/h3-9,14,16,21,23-24,30H,10-13,15,17-18H2,1-2H3/t23?,24?,30-/m1/s1
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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))		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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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))		BDBM331385
PNG
((2-{[5-(Dimethyl-1H-1,2,3-triazol-5-yl)-8-[(S)-oxa...)
Show SMILES CCOP(O)(=O)CCNc1ccc2c(n1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(cnc21)-c1c(C)nnn1C |r|
Show InChI InChI=1S/C30H36N7O4P/c1-4-41-42(38,39)17-14-31-26-11-10-24-27-25(18-23(19-32-27)28-20(2)34-35-36(28)3)37(30(24)33-26)29(21-8-6-5-7-9-21)22-12-15-40-16-13-22/h5-11,18-19,22,29H,4,12-17H2,1-3H3,(H,31,33)(H,38,39)/t29-/m1/s1
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n/an/a<1n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


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

US Patent US9725449 (2017)


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))		BDBM331389
PNG
(2-[5-(Dimethyl-1,2-oxazol-4-yl)-8-[(S)-(4-fluoroph...)
Show SMILES Cc1noc(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccc(F)cc1)c1cc(ncc21)C(C)(C)O |r|
Show InChI InChI=1S/C30H31FN4O3/c1-17-27(18(2)38-34-17)21-13-25-28(33-15-21)23-16-32-26(30(3,4)36)14-24(23)35(25)29(20-9-11-37-12-10-20)19-5-7-22(31)8-6-19/h5-8,13-16,20,29,36H,9-12H2,1-4H3/t29-/m1/s1
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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))		BDBM331412
PNG
(8-[(3-Fluoropyridin-2-yl)(oxan-4-yl)methyl]-5,11-b...)
Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n(C(C1CCOCC1)c1ncccc1F)c1nc(ccc21)-c1c(C)nnn1C
Show InChI InChI=1S/C29H29FN10O/c1-16-26(38(3)36-34-16)19-14-23-24(32-15-19)20-7-8-22(27-17(2)35-37-39(27)4)33-29(20)40(23)28(18-9-12-41-13-10-18)25-21(30)6-5-11-31-25/h5-8,11,14-15,18,28H,9-10,12-13H2,1-4H3
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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))		BDBM331417
PNG
(11-[(3R,5S)-3,5-Dimethylpiperazin-1-yl]-5-[4-(2H3)...)
Show SMILES C[C@H]1CN(C[C@@H](C)N1)c1ccc2c(n1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(cnc21)-c1c(C)nnn1C |r|
Show InChI InChI=1S/C32H38N8O/c1-20-18-39(19-21(2)34-20)28-11-10-26-29-27(16-25(17-33-29)30-22(3)36-37-38(30)4)40(32(26)35-28)31(23-8-6-5-7-9-23)24-12-14-41-15-13-24/h5-11,16-17,20-21,24,31,34H,12-15,18-19H2,1-4H3/t20-,21+,31-/m1/s1
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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))		BDBM331441
PNG
(2-{10-Fluoro-5-[4-(2H3)methyl-1-methyl-1H-1,2,3-tr...)
Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1c(F)c(ncc21)C(C)(C)O |r|
Show InChI InChI=1S/C29H31FN6O2/c1-17-25(35(4)34-33-17)20-14-22-24(31-15-20)21-16-32-28(29(2,3)37)23(30)27(21)36(22)26(18-8-6-5-7-9-18)19-10-12-38-13-11-19/h5-9,14-16,19,26,37H,10-13H2,1-4H3/t26-/m1/s1
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Bristol-Myers Squibb Company

US Patent


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

US Patent US9725449 (2017)


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))		BDBM331446
PNG
(5-(Dimethyl-1H-1,2,3-triazol-5-yl)-11-methoxy-13-m...)
Show SMILES COc1cc2n([C@@H](C3CCOCC3)c3ccccc3)c3cc(cnc3c2c(C)n1)-c1c(C)nnn1C |r|
Show InChI InChI=1S/C28H30N6O2/c1-17-25-22(15-24(30-17)35-4)34(28(19-8-6-5-7-9-19)20-10-12-36-13-11-20)23-14-21(16-29-26(23)25)27-18(2)31-32-33(27)3/h5-9,14-16,20,28H,10-13H2,1-4H3/t28-/m1/s1
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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))		BDBM331447
PNG
(2-{5-[4-(2H3)Methyl-1-methyl-1H-1,2,3-triazol-5-yl...)
Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(ncc21)C(C)(C)O |r|
Show InChI InChI=1S/C29H32N6O2/c1-18-27(34(4)33-32-18)21-14-24-26(31-16-21)22-17-30-25(29(2,3)36)15-23(22)35(24)28(19-8-6-5-7-9-19)20-10-12-37-13-11-20/h5-9,14-17,20,28,36H,10-13H2,1-4H3/t28-/m1/s1
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Bristol-Myers Squibb Company

US Patent


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

US Patent US9725449 (2017)


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

US Patent


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

US Patent US9725449 (2017)


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

US Patent


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

US Patent US9725449 (2017)


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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Bristol-Myers Squibb Company

US Patent


Assay Description
The binding of compounds to 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
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Bristol-Myers Squibb Company

US Patent


Assay Description
The binding of compounds to 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
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Bristol-Myers Squibb Company

US Patent


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

US Patent


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

US Patent US9725449 (2017)


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

US Patent


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

US Patent US9725449 (2017)


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

US Patent


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

US Patent US9725449 (2017)


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

US Patent


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

US Patent US9725449 (2017)


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

US Patent


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

US Patent US9725449 (2017)


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

US Patent


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

US Patent US9725449 (2017)


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

US Patent


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

US Patent US9725449 (2017)


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

US Patent


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

US Patent US9725449 (2017)


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

US Patent


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

US Patent US9725449 (2017)


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

US Patent


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

US Patent US9725449 (2017)


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

US Patent


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

US Patent US9725449 (2017)


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

US Patent


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

US Patent US9725449 (2017)


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))		BDBM331458
PNG
(5-[4-(2H3)Methyl-1-methyl-1H-1,2,3-triazol-5-yl]-8...)
Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1nc(NCCc3nnn[nH]3)ccc21 |r|
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Bristol-Myers Squibb Company

US Patent


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

US Patent


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

US Patent US9725449 (2017)


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))		BDBM331462
PNG
(5-[4-(2H3)Methyl-1-methyl-1H-1,2,3-triazol-5-yl]-8...)
Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1cnccc21 |r|
Show InChI InChI=1S/C26H26N6O/c1-17-25(31(2)30-29-17)20-14-22-24(28-15-20)21-8-11-27-16-23(21)32(22)26(18-6-4-3-5-7-18)19-9-12-33-13-10-19/h3-8,11,14-16,19,26H,9-10,12-13H2,1-2H3/t26-/m1/s1
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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))		BDBM331463
PNG
(13-Methoxy-5-[4-(2H3)methyl-1-methyl-1H-1,2,3-tria...)
Show SMILES COc1cncc2n([C@@H](C3CCOCC3)c3ccccc3)c3cc(cnc3c12)-c1c(C)nnn1C |r|
Show InChI InChI=1S/C27H28N6O2/c1-17-26(32(2)31-30-17)20-13-21-25(29-14-20)24-22(15-28-16-23(24)34-3)33(21)27(18-7-5-4-6-8-18)19-9-11-35-12-10-19/h4-8,13-16,19,27H,9-12H2,1-3H3/t27-/m1/s1
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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))		BDBM331464
PNG
(5-[4-(2H3)Methyl-1-methyl-1H-1,2,3-triazol-5-yl]-8...)
Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1cncc(OCC(F)(F)F)c21 |r|
Show InChI InChI=1S/C28H27F3N6O2/c1-17-26(36(2)35-34-17)20-12-21-25(33-13-20)24-22(14-32-15-23(24)39-16-28(29,30)31)37(21)27(18-6-4-3-5-7-18)19-8-10-38-11-9-19/h3-7,12-15,19,27H,8-11,16H2,1-2H3/t27-/m1/s1
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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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