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Patent code US10683290

Compile Data Set for Download or QSAR
Found 84 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
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Bromodomain-containing protein 4 (BRD4)(1-477)


(Homo sapiens (Human))
BDBM445578
PNG
(US10683290, Example 71)
Show SMILES Cc1nnn(C)c1-c1ccc2c(c1)n([C@H](C1CCOCC1)c1ncccc1F)c1cc(cnc21)C(C)(C)O
Show InChI InChI=1S/C29H31FN6O2/c1-17-27(35(4)34-33-17)19-7-8-21-23(14-19)36(24-15-20(29(2,3)37)16-32-25(21)24)28(18-9-12-38-13-10-18)26-22(30)6-5-11-31-26/h5-8,11,14-16,18,28,37H,9-10,12-13H2,1-4H3/t28-/m1/s1
PDB

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US Patent
n/an/a<1n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
All assay components were dissolved in buffer composition 20 mM Hepes pH 7.5, 150 mM NaCl, 5 mM DTT, 0.005% Tween 20, and 100 ug/ml BSA for BRD4 (1-4...


US Patent US10683290 (2020)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(1-477)


(Homo sapiens (Human))
BDBM445579
PNG
(US10683290, Example 72)
Show SMILES Cc1nnn(C)c1-c1ccc2c(c1)n([C@@H](C1CCOCC1)c1ncccc1F)c1cc(cnc21)C(C)(C)O
Show InChI InChI=1S/C29H31FN6O2/c1-17-27(35(4)34-33-17)19-7-8-21-23(14-19)36(24-15-20(29(2,3)37)16-32-25(21)24)28(18-9-12-38-13-10-18)26-22(30)6-5-11-31-26/h5-8,11,14-16,18,28,37H,9-10,12-13H2,1-4H3/t28-/m0/s1
PDB

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US Patent
n/an/a<1n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
All assay components were dissolved in buffer composition 20 mM Hepes pH 7.5, 150 mM NaCl, 5 mM DTT, 0.005% Tween 20, and 100 ug/ml BSA for BRD4 (1-4...


US Patent US10683290 (2020)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(1-477)


(Homo sapiens (Human))
BDBM445529
PNG
(2-[7-(Dimethyl-1H-1,2,3-triazol-5-yl)-8-fluoro-5-[...)
Show SMILES Cc1nnn(C)c1-c1cc2n([C@@H](C3CCOCC3)c3ccccc3F)c3cc(cnc3c2cc1F)C(C)(C)O
Show InChI InChI=1S/C30H31F2N5O2/c1-17-28(36(4)35-34-17)21-15-25-22(14-24(21)32)27-26(13-19(16-33-27)30(2,3)38)37(25)29(18-9-11-39-12-10-18)20-7-5-6-8-23(20)31/h5-8,13-16,18,29,38H,9-12H2,1-4H3/t29-/m0/s1
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US Patent
n/an/a<1n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
All assay components were dissolved in buffer composition 20 mM Hepes pH 7.5, 150 mM NaCl, 5 mM DTT, 0.005% Tween 20, and 100 ug/ml BSA for BRD4 (1-4...


US Patent US10683290 (2020)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(1-477)


(Homo sapiens (Human))
BDBM445542
PNG
(2-{8-Fluoro-5-[(5-methyl-1,2-oxazol-3-yl)(oxan-4-y...)
Show SMILES Cc1cc(no1)C(C1CCOCC1)n1c2cc(-c3c(C)nnn3C)c(F)cc2c2ncc(cc12)C(C)(C)O
Show InChI InChI=1S/C28H31FN6O3/c1-15-10-22(32-38-15)27(17-6-8-37-9-7-17)35-23-13-19(26-16(2)31-33-34(26)5)21(29)12-20(23)25-24(35)11-18(14-30-25)28(3,4)36/h10-14,17,27,36H,6-9H2,1-5H3
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n/an/a<1n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
All assay components were dissolved in buffer composition 20 mM Hepes pH 7.5, 150 mM NaCl, 5 mM DTT, 0.005% Tween 20, and 100 ug/ml BSA for BRD4 (1-4...


US Patent US10683290 (2020)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(1-477)


(Homo sapiens (Human))
BDBM445507
PNG
(2-[7-(Dimethyl-1H-1,2,3-triazol-5-yl)-5-[(S)-(4-fl...)
Show SMILES Cc1nnn(C)c1-c1ccc2c(c1)n(C(C1CCOCC1)c1ccc(F)cc1)c1cc(cnc21)C(C)(C)O
Show InChI InChI=1S/C30H32FN5O2/c1-18-28(35(4)34-33-18)21-7-10-24-25(15-21)36(26-16-22(30(2,3)37)17-32-27(24)26)29(20-11-13-38-14-12-20)19-5-8-23(31)9-6-19/h5-10,15-17,20,29,37H,11-14H2,1-4H3
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n/an/a<1n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
All assay components were dissolved in buffer composition 20 mM Hepes pH 7.5, 150 mM NaCl, 5 mM DTT, 0.005% Tween 20, and 100 ug/ml BSA for BRD4 (1-4...


US Patent US10683290 (2020)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(1-477)


(Homo sapiens (Human))
BDBM445515
PNG
(2-[7-(Dimethyl-1H-1,2,3-triazol-5-yl)-9-fluoro-5-[...)
Show SMILES Cc1nnn(C)c1-c1cc(F)c2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(cnc21)C(C)(C)O
Show InChI InChI=1S/C30H32FN5O2/c1-18-28(35(4)34-33-18)21-14-23(31)26-24(15-21)36(25-16-22(30(2,3)37)17-32-27(25)26)29(19-8-6-5-7-9-19)20-10-12-38-13-11-20/h5-9,14-17,20,29,37H,10-13H2,1-4H3/t29-/m1/s1
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US Patent
n/an/a<1n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
All assay components were dissolved in buffer composition 20 mM Hepes pH 7.5, 150 mM NaCl, 5 mM DTT, 0.005% Tween 20, and 100 ug/ml BSA for BRD4 (1-4...


US Patent US10683290 (2020)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(1-477)


(Homo sapiens (Human))
BDBM445541
PNG
(2-{8-Fluoro-7-[5-(2H3)methyl-3-methyl-1,2-oxazol-4...)
Show SMILES Cc1noc(C)c1-c1cc2n([C@@H](C3CCOCC3)c3ccccc3)c3cc(cnc3c2cc1F)C(C)(C)O
Show InChI InChI=1S/C31H32FN3O3/c1-18-28(19(2)38-34-18)23-16-26-24(15-25(23)32)29-27(14-22(17-33-29)31(3,4)36)35(26)30(20-8-6-5-7-9-20)21-10-12-37-13-11-21/h5-9,14-17,21,30,36H,10-13H2,1-4H3/t30-/m1/s1
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n/an/a<1n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
All assay components were dissolved in buffer composition 20 mM Hepes pH 7.5, 150 mM NaCl, 5 mM DTT, 0.005% Tween 20, and 100 ug/ml BSA for BRD4 (1-4...


US Patent US10683290 (2020)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(1-477)


(Homo sapiens (Human))
BDBM445567
PNG
(US10683290, Example 66)
Show SMILES Cc1nnn(C)c1-c1cc2n(C(CC3COC3)c3ccccc3)c3cc(cnc3c2cc1F)C(C)(C)O
Show InChI InChI=1S/C29H30FN5O2/c1-17-28(34(4)33-32-17)21-13-25-22(12-23(21)30)27-26(11-20(14-31-27)29(2,3)36)35(25)24(10-18-15-37-16-18)19-8-6-5-7-9-19/h5-9,11-14,18,24,36H,10,15-16H2,1-4H3
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n/an/a<1n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
All assay components were dissolved in buffer composition 20 mM Hepes pH 7.5, 150 mM NaCl, 5 mM DTT, 0.005% Tween 20, and 100 ug/ml BSA for BRD4 (1-4...


US Patent US10683290 (2020)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(1-477)


(Homo sapiens (Human))
BDBM445512
PNG
(US10683290, Example 8)
Show SMILES Cc1nnn(C)c1-c1ccc2c(c1)n(C(C1CCOCC1)c1ccccc1)c1cc(cnc21)C(C)(C)O
Show InChI InChI=1S/C30H33N5O2/c1-19-28(34(4)33-32-19)22-10-11-24-25(16-22)35(26-17-23(30(2,3)36)18-31-27(24)26)29(20-8-6-5-7-9-20)21-12-14-37-15-13-21/h5-11,16-18,21,29,36H,12-15H2,1-4H3
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US Patent
n/an/a<1n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
All assay components were dissolved in buffer composition 20 mM Hepes pH 7.5, 150 mM NaCl, 5 mM DTT, 0.005% Tween 20, and 100 ug/ml BSA for BRD4 (1-4...


US Patent US10683290 (2020)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(1-477)


(Homo sapiens (Human))
BDBM445536
PNG
(5-{8-Fluoro-5-[(S)-(2-fluorophenyl)(oxan-4-yl)meth...)
Show SMILES Cc1nnn(C)c1-c1cc2n([C@@H](C3CCOCC3)c3ccccc3F)c3cc(cnc3c2cc1F)S(C)(=O)=O
Show InChI InChI=1S/C28H27F2N5O3S/c1-16-27(34(2)33-32-16)20-14-24-21(13-23(20)30)26-25(12-18(15-31-26)39(3,36)37)35(24)28(17-8-10-38-11-9-17)19-6-4-5-7-22(19)29/h4-7,12-15,17,28H,8-11H2,1-3H3/t28-/m0/s1
PDB

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US Patent
n/an/a<1n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
All assay components were dissolved in buffer composition 20 mM Hepes pH 7.5, 150 mM NaCl, 5 mM DTT, 0.005% Tween 20, and 100 ug/ml BSA for BRD4 (1-4...


US Patent US10683290 (2020)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(1-477)


(Homo sapiens (Human))
BDBM445540
PNG
(2-{8-Fluoro-7-[4-(2H3)methyl-1-methyl-1H-1,2,3-tri...)
Show SMILES Cc1nnn(C)c1-c1cc2n([C@H](C3CCOCC3)c3ccccc3)c3cc(cnc3c2cc1F)C(C)(C)O
Show InChI InChI=1S/C30H32FN5O2/c1-18-28(35(4)34-33-18)22-16-25-23(15-24(22)31)27-26(14-21(17-32-27)30(2,3)37)36(25)29(19-8-6-5-7-9-19)20-10-12-38-13-11-20/h5-9,14-17,20,29,37H,10-13H2,1-4H3/t29-/m0/s1
PDB

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US Patent
n/an/a<1n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
All assay components were dissolved in buffer composition 20 mM Hepes pH 7.5, 150 mM NaCl, 5 mM DTT, 0.005% Tween 20, and 100 ug/ml BSA for BRD4 (1-4...


US Patent US10683290 (2020)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(1-477)


(Homo sapiens (Human))
BDBM445544
PNG
(US10683290, Example 36)
Show SMILES Cc1nnn(C)c1-c1cc2n([C@H](C3CCOCC3)c3ccccn3)c3cc(cnc3c2cc1F)C(C)(C)O
Show InChI InChI=1S/C29H31FN6O2/c1-17-27(35(4)34-33-17)20-15-24-21(14-22(20)30)26-25(13-19(16-32-26)29(2,3)37)36(24)28(18-8-11-38-12-9-18)23-7-5-6-10-31-23/h5-7,10,13-16,18,28,37H,8-9,11-12H2,1-4H3/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
All assay components were dissolved in buffer composition 20 mM Hepes pH 7.5, 150 mM NaCl, 5 mM DTT, 0.005% Tween 20, and 100 ug/ml BSA for BRD4 (1-4...


US Patent US10683290 (2020)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(1-477)


(Homo sapiens (Human))
BDBM445530
PNG
(2-{8-Fluoro-5-[(S)-(2-fluorophenyl)(oxan-4-yl)meth...)
Show SMILES Cc1nnn(C)c1-c1cc2n([C@@H](C3CCOCC3)c3ccccc3F)c3cc(cnc3c2cc1F)C(C)(C)O
Show InChI InChI=1S/C30H31F2N5O2/c1-17-28(36(4)35-34-17)21-15-25-22(14-24(21)32)27-26(13-19(16-33-27)30(2,3)38)37(25)29(18-9-11-39-12-10-18)20-7-5-6-8-23(20)31/h5-8,13-16,18,29,38H,9-12H2,1-4H3/t29-/m0/s1
PDB

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n/an/a<1n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
All assay components were dissolved in buffer composition 20 mM Hepes pH 7.5, 150 mM NaCl, 5 mM DTT, 0.005% Tween 20, and 100 ug/ml BSA for BRD4 (1-4...


US Patent US10683290 (2020)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(1-477)


(Homo sapiens (Human))
BDBM445533
PNG
(5-{8-Fluoro-5-[(S)-(2-fluorophenyl)(oxan-4-yl)meth...)
Show SMILES Cc1nnn(C)c1-c1cc2n([C@@H](C3CCOCC3)c3ccccc3F)c3cc(C)cnc3c2cc1F
Show InChI InChI=1S/C28H27F2N5O/c1-16-12-25-26(31-15-16)21-13-23(30)20(27-17(2)32-33-34(27)3)14-24(21)35(25)28(18-8-10-36-11-9-18)19-6-4-5-7-22(19)29/h4-7,12-15,18,28H,8-11H2,1-3H3/t28-/m0/s1
PDB

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US Patent
n/an/a<1n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
All assay components were dissolved in buffer composition 20 mM Hepes pH 7.5, 150 mM NaCl, 5 mM DTT, 0.005% Tween 20, and 100 ug/ml BSA for BRD4 (1-4...


US Patent US10683290 (2020)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(1-477)


(Homo sapiens (Human))
BDBM445538
PNG
(2-{8-Fluoro-5-[(3-fluoropyridin-2-yl)(oxan-4-yl)me...)
Show SMILES Cc1nnn(C)c1-c1cc2n(C(C3CCOCC3)c3ncccc3F)c3cc(cnc3c2cc1F)C(C)(C)O
Show InChI InChI=1S/C29H30F2N6O2/c1-16-27(36(4)35-34-16)19-14-23-20(13-22(19)31)25-24(12-18(15-33-25)29(2,3)38)37(23)28(17-7-10-39-11-8-17)26-21(30)6-5-9-32-26/h5-6,9,12-15,17,28,38H,7-8,10-11H2,1-4H3
PDB

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n/an/a<1n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
All assay components were dissolved in buffer composition 20 mM Hepes pH 7.5, 150 mM NaCl, 5 mM DTT, 0.005% Tween 20, and 100 ug/ml BSA for BRD4 (1-4...


US Patent US10683290 (2020)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(1-477)


(Homo sapiens (Human))
BDBM445545
PNG
(US10683290, Example 38)
Show SMILES CCCC[C@H](c1ncccc1F)n1c2cc(-c3c(C)nnn3C)c(F)cc2c2ncc(cc12)C(C)(C)O
Show InChI InChI=1S/C28H30F2N6O/c1-6-7-10-22(26-20(29)9-8-11-31-26)36-23-14-18(27-16(2)33-34-35(27)5)21(30)13-19(23)25-24(36)12-17(15-32-25)28(3,4)37/h8-9,11-15,22,37H,6-7,10H2,1-5H3/t22-/m1/s1
PDB

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n/an/a<1n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
All assay components were dissolved in buffer composition 20 mM Hepes pH 7.5, 150 mM NaCl, 5 mM DTT, 0.005% Tween 20, and 100 ug/ml BSA for BRD4 (1-4...


US Patent US10683290 (2020)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(1-477)


(Homo sapiens (Human))
BDBM445517
PNG
(2-[9-Chloro-7-(dimethyl-1H-1,2,3-triazol-5-yl)-5-[...)
Show SMILES Cc1nnn(C)c1-c1cc(Cl)c2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(cnc21)C(C)(C)O
Show InChI InChI=1S/C30H32ClN5O2/c1-18-28(35(4)34-33-18)21-14-23(31)26-24(15-21)36(25-16-22(30(2,3)37)17-32-27(25)26)29(19-8-6-5-7-9-19)20-10-12-38-13-11-20/h5-9,14-17,20,29,37H,10-13H2,1-4H3/t29-/m1/s1
PDB

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UniChem
US Patent
n/an/a<1n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
All assay components were dissolved in buffer composition 20 mM Hepes pH 7.5, 150 mM NaCl, 5 mM DTT, 0.005% Tween 20, and 100 ug/ml BSA for BRD4 (1-4...


US Patent US10683290 (2020)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(1-477)


(Homo sapiens (Human))
BDBM445528
PNG
(2-[7-(Dimethyl-1H-1,2,3-triazol-5-yl)-6-fluoro-5-[...)
Show SMILES Cc1nnn(C)c1-c1ccc2c3ncc(cc3n([C@@H](C3CCOCC3)c3ccccc3)c2c1F)C(C)(C)O
Show InChI InChI=1S/C30H32FN5O2/c1-18-27(35(4)34-33-18)22-10-11-23-26-24(16-21(17-32-26)30(2,3)37)36(29(23)25(22)31)28(19-8-6-5-7-9-19)20-12-14-38-15-13-20/h5-11,16-17,20,28,37H,12-15H2,1-4H3/t28-/m1/s1
PDB

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PC sid
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US Patent
n/an/a<5n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
All assay components were dissolved in buffer composition 20 mM Hepes pH 7.5, 150 mM NaCl, 5 mM DTT, 0.005% Tween 20, and 100 ug/ml BSA for BRD4 (1-4...


US Patent US10683290 (2020)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(1-477)


(Homo sapiens (Human))
BDBM445572
PNG
(US10683290, Example 39)
Show SMILES CCCC[C@@H](c1ncccc1F)n1c2cc(-c3c(C)nnn3C)c(F)cc2c2ncc(cc12)C(C)(C)O
Show InChI InChI=1S/C28H30F2N6O/c1-6-7-10-22(26-20(29)9-8-11-31-26)36-23-14-18(27-16(2)33-34-35(27)5)21(30)13-19(23)25-24(36)12-17(15-32-25)28(3,4)37/h8-9,11-15,22,37H,6-7,10H2,1-5H3/t22-/m0/s1
PDB

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US Patent
n/an/a<5n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
All assay components were dissolved in buffer composition 20 mM Hepes pH 7.5, 150 mM NaCl, 5 mM DTT, 0.005% Tween 20, and 100 ug/ml BSA for BRD4 (1-4...


US Patent US10683290 (2020)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(1-477)


(Homo sapiens (Human))
BDBM445591
PNG
(US10683290, Example 84)
Show SMILES Cc1nnn(C)c1-c1ccc2c3ncc(cc3n([C@H](C3CCOCC3)c3ncccc3F)c2c1F)C(C)(C)O
Show InChI InChI=1S/C29H30F2N6O2/c1-16-26(36(4)35-34-16)19-7-8-20-24-22(14-18(15-33-24)29(2,3)38)37(28(20)23(19)31)27(17-9-12-39-13-10-17)25-21(30)6-5-11-32-25/h5-8,11,14-15,17,27,38H,9-10,12-13H2,1-4H3/t27-/m1/s1
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Bristol-Myers Squibb Company

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Assay Description
All assay components were dissolved in buffer composition 20 mM Hepes pH 7.5, 150 mM NaCl, 5 mM DTT, 0.005% Tween 20, and 100 ug/ml BSA for BRD4 (1-4...


US Patent US10683290 (2020)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(1-477)


(Homo sapiens (Human))
BDBM445525
PNG
(2-[7-(Dimethyl-1,2-oxazol-4-yl)-6-fluoro-5-[(S)-ox...)
Show SMILES Cc1noc(C)c1-c1cc2n([C@@H](C3CCOCC3)c3ccccc3)c3cc(cnc3c2cc1F)C(C)(C)O
Show InChI InChI=1S/C31H32FN3O3/c1-18-28(19(2)38-34-18)23-16-26-24(15-25(23)32)29-27(14-22(17-33-29)31(3,4)36)35(26)30(20-8-6-5-7-9-20)21-10-12-37-13-11-21/h5-9,14-17,21,30,36H,10-13H2,1-4H3/t30-/m1/s1
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Bristol-Myers Squibb Company

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Assay Description
All assay components were dissolved in buffer composition 20 mM Hepes pH 7.5, 150 mM NaCl, 5 mM DTT, 0.005% Tween 20, and 100 ug/ml BSA for BRD4 (1-4...


US Patent US10683290 (2020)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(1-477)


(Homo sapiens (Human))
BDBM445560
PNG
(US10683290, Example 59)
Show SMILES CCC[C@@H](c1ccc(F)cn1)n1c2cc(-c3c(C)nnn3C)c(F)cc2c2ncc(cc12)C(C)(C)O
Show InChI InChI=1S/C27H28F2N6O/c1-6-7-22(21-9-8-17(28)14-30-21)35-23-12-18(26-15(2)32-33-34(26)5)20(29)11-19(23)25-24(35)10-16(13-31-25)27(3,4)36/h8-14,22,36H,6-7H2,1-5H3/t22-/m0/s1
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Bristol-Myers Squibb Company

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Assay Description
All assay components were dissolved in buffer composition 20 mM Hepes pH 7.5, 150 mM NaCl, 5 mM DTT, 0.005% Tween 20, and 100 ug/ml BSA for BRD4 (1-4...


US Patent US10683290 (2020)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(1-477)


(Homo sapiens (Human))
BDBM445590
PNG
(US10683290, Example 83)
Show SMILES CCC[C@@H](c1ncccc1F)n1c2cc(-c3c(C)nnn3C)c(Cl)cc2c2ncc(cc12)C(C)(C)O
Show InChI InChI=1S/C27H28ClFN6O/c1-6-8-21(25-20(29)9-7-10-30-25)35-22-13-17(26-15(2)32-33-34(26)5)19(28)12-18(22)24-23(35)11-16(14-31-24)27(3,4)36/h7,9-14,21,36H,6,8H2,1-5H3/t21-/m0/s1
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Bristol-Myers Squibb Company

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Assay Description
All assay components were dissolved in buffer composition 20 mM Hepes pH 7.5, 150 mM NaCl, 5 mM DTT, 0.005% Tween 20, and 100 ug/ml BSA for BRD4 (1-4...


US Patent US10683290 (2020)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(1-477)


(Homo sapiens (Human))
BDBM445511
PNG
(US10683290, Example 7)
Show SMILES Cc1nnn(C)c1-c1ccc2c(c1)n(C(CCC(C)(F)F)c1ccccn1)c1cc(cnc21)C(C)(C)O
Show InChI InChI=1S/C28H30F2N6O/c1-17-26(35(5)34-33-17)18-9-10-20-23(14-18)36(24-15-19(27(2,3)37)16-32-25(20)24)22(11-12-28(4,29)30)21-8-6-7-13-31-21/h6-10,13-16,22,37H,11-12H2,1-5H3
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Bristol-Myers Squibb Company

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Assay Description
All assay components were dissolved in buffer composition 20 mM Hepes pH 7.5, 150 mM NaCl, 5 mM DTT, 0.005% Tween 20, and 100 ug/ml BSA for BRD4 (1-4...


US Patent US10683290 (2020)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(1-477)


(Homo sapiens (Human))
BDBM445549
PNG
(US10683290, Example 46)
Show SMILES Cc1nnn(C)c1-c1cc2n([C@@H](C3CCOCC3)c3ncccn3)c3cc(cnc3c2cc1F)C(C)(C)O
Show InChI InChI=1S/C28H30FN7O2/c1-16-25(35(4)34-33-16)19-14-22-20(13-21(19)29)24-23(12-18(15-32-24)28(2,3)37)36(22)26(17-6-10-38-11-7-17)27-30-8-5-9-31-27/h5,8-9,12-15,17,26,37H,6-7,10-11H2,1-4H3/t26-/m0/s1
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Bristol-Myers Squibb Company

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Assay Description
All assay components were dissolved in buffer composition 20 mM Hepes pH 7.5, 150 mM NaCl, 5 mM DTT, 0.005% Tween 20, and 100 ug/ml BSA for BRD4 (1-4...


US Patent US10683290 (2020)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(1-477)


(Homo sapiens (Human))
BDBM445580
PNG
(US10683290, Example 73)
Show SMILES Cc1cc(no1)[C@@H](C1CCOCC1)n1c2cc(ccc2c2ncc(cc12)C(C)(C)O)-c1c(C)nnn1C
Show InChI InChI=1S/C28H32N6O3/c1-16-12-22(31-37-16)27(18-8-10-36-11-9-18)34-23-13-19(26-17(2)30-32-33(26)5)6-7-21(23)25-24(34)14-20(15-29-25)28(3,4)35/h6-7,12-15,18,27,35H,8-11H2,1-5H3/t27-/m1/s1
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Bristol-Myers Squibb Company

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Assay Description
All assay components were dissolved in buffer composition 20 mM Hepes pH 7.5, 150 mM NaCl, 5 mM DTT, 0.005% Tween 20, and 100 ug/ml BSA for BRD4 (1-4...


US Patent US10683290 (2020)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(1-477)


(Homo sapiens (Human))
BDBM445592
PNG
(US10683290, Example 85)
Show SMILES Cc1nnn(C)c1-c1ccc2c3ncc(cc3n([C@@H](C3CCOCC3)c3ncccc3F)c2c1F)C(C)(C)O
Show InChI InChI=1S/C29H30F2N6O2/c1-16-26(36(4)35-34-16)19-7-8-20-24-22(14-18(15-33-24)29(2,3)38)37(28(20)23(19)31)27(17-9-12-39-13-10-17)25-21(30)6-5-11-32-25/h5-8,11,14-15,17,27,38H,9-10,12-13H2,1-4H3/t27-/m0/s1
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Bristol-Myers Squibb Company

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Assay Description
All assay components were dissolved in buffer composition 20 mM Hepes pH 7.5, 150 mM NaCl, 5 mM DTT, 0.005% Tween 20, and 100 ug/ml BSA for BRD4 (1-4...


US Patent US10683290 (2020)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(1-477)


(Homo sapiens (Human))
BDBM445516
PNG
(2-[9-Chloro-7-(dimethyl-1H-1,2,3-triazol-5-yl)-5-(...)
Show SMILES Cc1nnn(C)c1-c1cc(Cl)c2c(c1)n(C(CCC(F)(F)F)CCC(F)(F)F)c1cc(cnc21)C(C)(C)O
Show InChI InChI=1S/C25H26ClF6N5O/c1-13-22(36(4)35-34-13)14-9-17(26)20-18(10-14)37(19-11-15(23(2,3)38)12-33-21(19)20)16(5-7-24(27,28)29)6-8-25(30,31)32/h9-12,16,38H,5-8H2,1-4H3
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Bristol-Myers Squibb Company

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Assay Description
All assay components were dissolved in buffer composition 20 mM Hepes pH 7.5, 150 mM NaCl, 5 mM DTT, 0.005% Tween 20, and 100 ug/ml BSA for BRD4 (1-4...


US Patent US10683290 (2020)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(1-477)


(Homo sapiens (Human))
BDBM445524
PNG
(2-{7-[4-(2H3)Methyl-1-methyl-1H-1,2,3-triazol-5-yl...)
Show SMILES Cc1nnn(C)c1-c1ccc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(cnc21)C(C)(C)O
Show InChI InChI=1S/C30H33N5O2/c1-19-28(34(4)33-32-19)22-10-11-24-25(16-22)35(26-17-23(30(2,3)36)18-31-27(24)26)29(20-8-6-5-7-9-20)21-12-14-37-15-13-21/h5-11,16-18,21,29,36H,12-15H2,1-4H3/t29-/m1/s1
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Bristol-Myers Squibb Company

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Assay Description
All assay components were dissolved in buffer composition 20 mM Hepes pH 7.5, 150 mM NaCl, 5 mM DTT, 0.005% Tween 20, and 100 ug/ml BSA for BRD4 (1-4...


US Patent US10683290 (2020)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(1-477)


(Homo sapiens (Human))
BDBM445525
PNG
(2-[7-(Dimethyl-1,2-oxazol-4-yl)-6-fluoro-5-[(S)-ox...)
Show SMILES Cc1noc(C)c1-c1cc2n([C@@H](C3CCOCC3)c3ccccc3)c3cc(cnc3c2cc1F)C(C)(C)O
Show InChI InChI=1S/C31H32FN3O3/c1-18-28(19(2)38-34-18)23-16-26-24(15-25(23)32)29-27(14-22(17-33-29)31(3,4)36)35(26)30(20-8-6-5-7-9-20)21-10-12-37-13-11-21/h5-9,14-17,21,30,36H,10-13H2,1-4H3/t30-/m1/s1
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Bristol-Myers Squibb Company

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Assay Description
All assay components were dissolved in buffer composition 20 mM Hepes pH 7.5, 150 mM NaCl, 5 mM DTT, 0.005% Tween 20, and 100 ug/ml BSA for BRD4 (1-4...


US Patent US10683290 (2020)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(1-477)


(Homo sapiens (Human))
BDBM445537
PNG
(7-(Dimethyl-1H-1,2,3-triazol-5-yl)-5-[(S)-(2-fluor...)
Show SMILES Cc1nnn(C)c1-c1ccc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1F)c1cc(cnc21)C(O)=O
Show InChI InChI=1S/C28H26FN5O3/c1-16-26(33(2)32-31-16)18-7-8-21-23(13-18)34(24-14-19(28(35)36)15-30-25(21)24)27(17-9-11-37-12-10-17)20-5-3-4-6-22(20)29/h3-8,13-15,17,27H,9-12H2,1-2H3,(H,35,36)/t27-/m0/s1
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Bristol-Myers Squibb Company

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Assay Description
All assay components were dissolved in buffer composition 20 mM Hepes pH 7.5, 150 mM NaCl, 5 mM DTT, 0.005% Tween 20, and 100 ug/ml BSA for BRD4 (1-4...


US Patent US10683290 (2020)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(1-477)


(Homo sapiens (Human))
BDBM445539
PNG
(2-{8-Fluoro-5-[(3-fluoropyridin-2-yl)(oxan-4-yl)me...)
Show SMILES Cc1nnn(C)c1-c1cc2n([C@@H](C3CCOCC3)c3ccccc3)c3cc(cnc3c2cc1F)C(C)(C)O
Show InChI InChI=1S/C30H32FN5O2/c1-18-28(35(4)34-33-18)22-16-25-23(15-24(22)31)27-26(14-21(17-32-27)30(2,3)37)36(25)29(19-8-6-5-7-9-19)20-10-12-38-13-11-20/h5-9,14-17,20,29,37H,10-13H2,1-4H3/t29-/m1/s1
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Bristol-Myers Squibb Company

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Assay Description
All assay components were dissolved in buffer composition 20 mM Hepes pH 7.5, 150 mM NaCl, 5 mM DTT, 0.005% Tween 20, and 100 ug/ml BSA for BRD4 (1-4...


US Patent US10683290 (2020)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(1-477)


(Homo sapiens (Human))
BDBM445552
PNG
(US10683290, Example 50)
Show SMILES COc1ccnc(c1)[C@H](C1CCOCC1)n1c2cc(-c3c(C)nnn3C)c(F)cc2c2ncc(cc12)C(C)(C)O
Show InChI InChI=1S/C30H33FN6O3/c1-17-28(36(4)35-34-17)21-15-25-22(14-23(21)31)27-26(12-19(16-33-27)30(2,3)38)37(25)29(18-7-10-40-11-8-18)24-13-20(39-5)6-9-32-24/h6,9,12-16,18,29,38H,7-8,10-11H2,1-5H3/t29-/m0/s1
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Bristol-Myers Squibb Company

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Assay Description
All assay components were dissolved in buffer composition 20 mM Hepes pH 7.5, 150 mM NaCl, 5 mM DTT, 0.005% Tween 20, and 100 ug/ml BSA for BRD4 (1-4...


US Patent US10683290 (2020)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(1-477)


(Homo sapiens (Human))
BDBM445561
PNG
(US10683290, Example 60)
Show SMILES Cc1nnn(C)c1-c1cc2n(C(C3CCOCC3)c3cc(F)ccn3)c3cc(cnc3c2cc1F)C(C)(C)O
Show InChI InChI=1S/C29H30F2N6O2/c1-16-27(36(4)35-34-16)20-14-24-21(13-22(20)31)26-25(11-18(15-33-26)29(2,3)38)37(24)28(17-6-9-39-10-7-17)23-12-19(30)5-8-32-23/h5,8,11-15,17,28,38H,6-7,9-10H2,1-4H3
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Bristol-Myers Squibb Company

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Assay Description
All assay components were dissolved in buffer composition 20 mM Hepes pH 7.5, 150 mM NaCl, 5 mM DTT, 0.005% Tween 20, and 100 ug/ml BSA for BRD4 (1-4...


US Patent US10683290 (2020)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(1-477)


(Homo sapiens (Human))
BDBM445564
PNG
(US10683290, Example 63)
Show SMILES COCC[C@@H](c1ccccc1)n1c2cc(-c3c(C)nnn3C)c(F)cc2c2ncc(cc12)C(C)(C)O
Show InChI InChI=1S/C28H30FN5O2/c1-17-27(33(4)32-31-17)20-15-24-21(14-22(20)29)26-25(13-19(16-30-26)28(2,3)35)34(24)23(11-12-36-5)18-9-7-6-8-10-18/h6-10,13-16,23,35H,11-12H2,1-5H3/t23-/m0/s1
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Bristol-Myers Squibb Company

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Assay Description
All assay components were dissolved in buffer composition 20 mM Hepes pH 7.5, 150 mM NaCl, 5 mM DTT, 0.005% Tween 20, and 100 ug/ml BSA for BRD4 (1-4...


US Patent US10683290 (2020)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(1-477)


(Homo sapiens (Human))
BDBM445509
PNG
(US10683290, Example 5)
Show SMILES CCCC(CCC)n1c2cc(ccc2c2ncc(cc12)C(C)(C)O)-c1c(C)nnn1C
Show InChI InChI=1S/C25H33N5O/c1-7-9-19(10-8-2)30-21-13-17(24-16(3)27-28-29(24)6)11-12-20(21)23-22(30)14-18(15-26-23)25(4,5)31/h11-15,19,31H,7-10H2,1-6H3
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Bristol-Myers Squibb Company

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Assay Description
All assay components were dissolved in buffer composition 20 mM Hepes pH 7.5, 150 mM NaCl, 5 mM DTT, 0.005% Tween 20, and 100 ug/ml BSA for BRD4 (1-4...


US Patent US10683290 (2020)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(1-477)


(Homo sapiens (Human))
BDBM445510
PNG
(US10683290, Example 6)
Show SMILES Cc1nnn(C)c1-c1ccc2c(c1)n(C(CCC(F)(F)F)c1ccccc1)c1cc(cnc21)C(C)(C)O
Show InChI InChI=1S/C28H28F3N5O/c1-17-26(35(4)34-33-17)19-10-11-21-23(14-19)36(24-15-20(27(2,3)37)16-32-25(21)24)22(12-13-28(29,30)31)18-8-6-5-7-9-18/h5-11,14-16,22,37H,12-13H2,1-4H3
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Bristol-Myers Squibb Company

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Assay Description
All assay components were dissolved in buffer composition 20 mM Hepes pH 7.5, 150 mM NaCl, 5 mM DTT, 0.005% Tween 20, and 100 ug/ml BSA for BRD4 (1-4...


US Patent US10683290 (2020)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(1-477)


(Homo sapiens (Human))
BDBM445513
PNG
(US10683290, Example 9)
Show SMILES Cc1nnn(C)c1-c1ccc2c(c1)n(C(C1CCOCC1)c1ccccc1F)c1cc(cnc21)C(C)(C)O
Show InChI InChI=1S/C30H32FN5O2/c1-18-28(35(4)34-33-18)20-9-10-23-25(15-20)36(26-16-21(30(2,3)37)17-32-27(23)26)29(19-11-13-38-14-12-19)22-7-5-6-8-24(22)31/h5-10,15-17,19,29,37H,11-14H2,1-4H3
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Bristol-Myers Squibb Company

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Assay Description
All assay components were dissolved in buffer composition 20 mM Hepes pH 7.5, 150 mM NaCl, 5 mM DTT, 0.005% Tween 20, and 100 ug/ml BSA for BRD4 (1-4...


US Patent US10683290 (2020)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(1-477)


(Homo sapiens (Human))
BDBM445514
PNG
(2-[7-(Dimethyl-1H-1,2,3-triazol-5-yl)-9-fluoro-5-(...)
Show SMILES Cc1nnn(C)c1-c1cc(F)c2c(c1)n(C(CCC(F)(F)F)CCC(F)(F)F)c1cc(cnc21)C(C)(C)O
Show InChI InChI=1S/C25H26F7N5O/c1-13-22(36(4)35-34-13)14-9-17(26)20-18(10-14)37(19-11-15(23(2,3)38)12-33-21(19)20)16(5-7-24(27,28)29)6-8-25(30,31)32/h9-12,16,38H,5-8H2,1-4H3
PDB

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Bristol-Myers Squibb Company

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Assay Description
All assay components were dissolved in buffer composition 20 mM Hepes pH 7.5, 150 mM NaCl, 5 mM DTT, 0.005% Tween 20, and 100 ug/ml BSA for BRD4 (1-4...


US Patent US10683290 (2020)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(1-477)


(Homo sapiens (Human))
BDBM445518
PNG
(2-[7-(Dimethyl-1,2-oxazol-4-yl)-5-[(S)-oxan-4-yl(p...)
Show SMILES Cc1noc(C)c1-c1ccc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(cnc21)C(C)(C)O
Show InChI InChI=1S/C31H33N3O3/c1-19-28(20(2)37-33-19)23-10-11-25-26(16-23)34(27-17-24(31(3,4)35)18-32-29(25)27)30(21-8-6-5-7-9-21)22-12-14-36-15-13-22/h5-11,16-18,22,30,35H,12-15H2,1-4H3/t30-/m1/s1
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Bristol-Myers Squibb Company

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Assay Description
All assay components were dissolved in buffer composition 20 mM Hepes pH 7.5, 150 mM NaCl, 5 mM DTT, 0.005% Tween 20, and 100 ug/ml BSA for BRD4 (1-4...


US Patent US10683290 (2020)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(1-477)


(Homo sapiens (Human))
BDBM445531
PNG
(1-Cyclopropyl-1-[7-(dimethyl-1H-1,2,3-triazol-5-yl...)
Show SMILES Cc1nnn(C)c1-c1cc2n([C@@H](C3CCOCC3)c3ccccc3F)c3cc(cnc3c2cc1F)C(C)(O)C1CC1
Show InChI InChI=1S/C32H33F2N5O2/c1-18-30(38(3)37-36-18)23-16-27-24(15-26(23)34)29-28(14-21(17-35-29)32(2,40)20-8-9-20)39(27)31(19-10-12-41-13-11-19)22-6-4-5-7-25(22)33/h4-7,14-17,19-20,31,40H,8-13H2,1-3H3/t31-,32?/m0/s1
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Bristol-Myers Squibb Company

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Assay Description
All assay components were dissolved in buffer composition 20 mM Hepes pH 7.5, 150 mM NaCl, 5 mM DTT, 0.005% Tween 20, and 100 ug/ml BSA for BRD4 (1-4...


US Patent US10683290 (2020)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(1-477)


(Homo sapiens (Human))
BDBM445556
PNG
(US10683290, Example 54)
Show SMILES Cc1nnn(C)c1-c1cc2n([C@@H](C3CCOCC3)c3ncccn3)c3cc(cnc3c2cc1F)C(C)(C)O
Show InChI InChI=1S/C28H30FN7O2/c1-16-25(35(4)34-33-16)19-14-22-20(13-21(19)29)24-23(12-18(15-32-24)28(2,3)37)36(22)26(17-6-10-38-11-7-17)27-30-8-5-9-31-27/h5,8-9,12-15,17,26,37H,6-7,10-11H2,1-4H3/t26-/m0/s1
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Bristol-Myers Squibb Company

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Assay Description
All assay components were dissolved in buffer composition 20 mM Hepes pH 7.5, 150 mM NaCl, 5 mM DTT, 0.005% Tween 20, and 100 ug/ml BSA for BRD4 (1-4...


US Patent US10683290 (2020)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(1-477)


(Homo sapiens (Human))
BDBM445558
PNG
(US10683290, Example 56)
Show SMILES Cc1nnn(C)c1-c1cc2n([C@H](C3CCOCC3)c3ccc(C)cn3)c3cc(cnc3c2cc1F)C(C)(C)O
Show InChI InChI=1S/C30H33FN6O2/c1-17-6-7-24(32-15-17)29(19-8-10-39-11-9-19)37-25-14-21(28-18(2)34-35-36(28)5)23(31)13-22(25)27-26(37)12-20(16-33-27)30(3,4)38/h6-7,12-16,19,29,38H,8-11H2,1-5H3/t29-/m1/s1
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Bristol-Myers Squibb Company

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Assay Description
All assay components were dissolved in buffer composition 20 mM Hepes pH 7.5, 150 mM NaCl, 5 mM DTT, 0.005% Tween 20, and 100 ug/ml BSA for BRD4 (1-4...


US Patent US10683290 (2020)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(1-477)


(Homo sapiens (Human))
BDBM445568
PNG
(US10683290, Example 67)
Show SMILES Cc1nnn(C)c1-c1cc2n([C@H](C3COC3)c3ccccc3)c3cc(cnc3c2cc1F)C(C)(C)O
Show InChI InChI=1S/C28H28FN5O2/c1-16-26(33(4)32-31-16)20-12-23-21(11-22(20)29)25-24(10-19(13-30-25)28(2,3)35)34(23)27(18-14-36-15-18)17-8-6-5-7-9-17/h5-13,18,27,35H,14-15H2,1-4H3/t27-/m0/s1
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Bristol-Myers Squibb Company

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Assay Description
All assay components were dissolved in buffer composition 20 mM Hepes pH 7.5, 150 mM NaCl, 5 mM DTT, 0.005% Tween 20, and 100 ug/ml BSA for BRD4 (1-4...


US Patent US10683290 (2020)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(1-477)


(Homo sapiens (Human))
BDBM445508
PNG
(US10683290, Example 4)
Show SMILES Cc1nnn(C)c1-c1ccc2c(c1)n(C(CCC(F)(F)F)CCC(F)(F)F)c1cc(cnc21)C(C)(C)O
Show InChI InChI=1S/C25H27F6N5O/c1-14-22(35(4)34-33-14)15-5-6-18-19(11-15)36(20-12-16(23(2,3)37)13-32-21(18)20)17(7-9-24(26,27)28)8-10-25(29,30)31/h5-6,11-13,17,37H,7-10H2,1-4H3
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Bristol-Myers Squibb Company

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Assay Description
All assay components were dissolved in buffer composition 20 mM Hepes pH 7.5, 150 mM NaCl, 5 mM DTT, 0.005% Tween 20, and 100 ug/ml BSA for BRD4 (1-4...


US Patent US10683290 (2020)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(1-477)


(Homo sapiens (Human))
BDBM445534
PNG
(5-{3-Methanesulfonyl-5-[(S)-oxan-4-yl(phenyl)methy...)
Show SMILES Cc1nnn(C)c1-c1ccc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(C)cnc21
Show InChI InChI=1S/C28H29N5O/c1-18-15-25-26(29-17-18)23-10-9-22(27-19(2)30-31-32(27)3)16-24(23)33(25)28(20-7-5-4-6-8-20)21-11-13-34-14-12-21/h4-10,15-17,21,28H,11-14H2,1-3H3/t28-/m1/s1
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Bristol-Myers Squibb Company

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Assay Description
All assay components were dissolved in buffer composition 20 mM Hepes pH 7.5, 150 mM NaCl, 5 mM DTT, 0.005% Tween 20, and 100 ug/ml BSA for BRD4 (1-4...


US Patent US10683290 (2020)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(1-477)


(Homo sapiens (Human))
BDBM445575
PNG
(US10683290, Example 45)
Show SMILES Cc1nnn(C)c1-c1cc2n([C@H](C3CCOCC3)c3ccc(F)cn3)c3cc(cnc3c2cc1F)C(C)(C)O
Show InChI InChI=1S/C29H30F2N6O2/c1-16-27(36(4)35-34-16)20-13-24-21(12-22(20)31)26-25(11-18(14-33-26)29(2,3)38)37(24)28(17-7-9-39-10-8-17)23-6-5-19(30)15-32-23/h5-6,11-15,17,28,38H,7-10H2,1-4H3/t28-/m1/s1
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Bristol-Myers Squibb Company

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Assay Description
All assay components were dissolved in buffer composition 20 mM Hepes pH 7.5, 150 mM NaCl, 5 mM DTT, 0.005% Tween 20, and 100 ug/ml BSA for BRD4 (1-4...


US Patent US10683290 (2020)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(1-477)


(Homo sapiens (Human))
BDBM445551
PNG
(US10683290, Example 49)
Show SMILES CCCC[C@H](c1ccccn1)n1c2cc(-c3c(C)nnn3C)c(F)cc2c2ncc(cc12)C(C)(C)O
Show InChI InChI=1S/C28H31FN6O/c1-6-7-11-23(22-10-8-9-12-30-22)35-24-15-19(27-17(2)32-33-34(27)5)21(29)14-20(24)26-25(35)13-18(16-31-26)28(3,4)36/h8-10,12-16,23,36H,6-7,11H2,1-5H3/t23-/m1/s1
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Bristol-Myers Squibb Company

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Assay Description
All assay components were dissolved in buffer composition 20 mM Hepes pH 7.5, 150 mM NaCl, 5 mM DTT, 0.005% Tween 20, and 100 ug/ml BSA for BRD4 (1-4...


US Patent US10683290 (2020)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(1-477)


(Homo sapiens (Human))
BDBM445571
PNG
(US10683290, Example 37)
Show SMILES Cc1nnn(C)c1-c1cc2n([C@@H](C3CCOCC3)c3ccccn3)c3cc(cnc3c2cc1F)C(C)(C)O
Show InChI InChI=1S/C29H31FN6O2/c1-17-27(35(4)34-33-17)20-15-24-21(14-22(20)30)26-25(13-19(16-32-26)29(2,3)37)36(24)28(18-8-11-38-12-9-18)23-7-5-6-10-31-23/h5-7,10,13-16,18,28,37H,8-9,11-12H2,1-4H3/t28-/m0/s1
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Bristol-Myers Squibb Company

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Assay Description
All assay components were dissolved in buffer composition 20 mM Hepes pH 7.5, 150 mM NaCl, 5 mM DTT, 0.005% Tween 20, and 100 ug/ml BSA for BRD4 (1-4...


US Patent US10683290 (2020)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(1-477)


(Homo sapiens (Human))
BDBM445574
PNG
(US10683290, Example 43)
Show SMILES Cc1nnn(C)c1-c1cc2n([C@H](C3CCOCC3)c3ncccc3C)c3cc(cnc3c2cc1F)C(C)(C)O
Show InChI InChI=1S/C30H33FN6O2/c1-17-7-6-10-32-26(17)29(19-8-11-39-12-9-19)37-24-15-21(28-18(2)34-35-36(28)5)23(31)14-22(24)27-25(37)13-20(16-33-27)30(3,4)38/h6-7,10,13-16,19,29,38H,8-9,11-12H2,1-5H3/t29-/m1/s1
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Bristol-Myers Squibb Company

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Assay Description
All assay components were dissolved in buffer composition 20 mM Hepes pH 7.5, 150 mM NaCl, 5 mM DTT, 0.005% Tween 20, and 100 ug/ml BSA for BRD4 (1-4...


US Patent US10683290 (2020)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(1-477)


(Homo sapiens (Human))
BDBM445554
PNG
(US10683290, Example 52)
Show SMILES Cc1nnn(C)c1-c1cc2n([C@H](C3CCOCC3)c3cc(C)ccn3)c3cc(cnc3c2cc1F)C(C)(C)O
Show InChI InChI=1S/C30H33FN6O2/c1-17-6-9-32-24(12-17)29(19-7-10-39-11-8-19)37-25-15-21(28-18(2)34-35-36(28)5)23(31)14-22(25)27-26(37)13-20(16-33-27)30(3,4)38/h6,9,12-16,19,29,38H,7-8,10-11H2,1-5H3/t29-/m1/s1
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Bristol-Myers Squibb Company

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Assay Description
All assay components were dissolved in buffer composition 20 mM Hepes pH 7.5, 150 mM NaCl, 5 mM DTT, 0.005% Tween 20, and 100 ug/ml BSA for BRD4 (1-4...


US Patent US10683290 (2020)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(1-477)


(Homo sapiens (Human))
BDBM445562
PNG
(US10683290, Example 61)
Show SMILES Cc1nnn(C)c1-c1cc2n(C(C3=CCCOC3)c3ccccc3)c3cc(cnc3c2cc1F)C(C)(C)O
Show InChI InChI=1S/C30H30FN5O2/c1-18-28(35(4)34-33-18)22-15-25-23(14-24(22)31)27-26(13-21(16-32-27)30(2,3)37)36(25)29(19-9-6-5-7-10-19)20-11-8-12-38-17-20/h5-7,9-11,13-16,29,37H,8,12,17H2,1-4H3
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Bristol-Myers Squibb Company

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Assay Description
All assay components were dissolved in buffer composition 20 mM Hepes pH 7.5, 150 mM NaCl, 5 mM DTT, 0.005% Tween 20, and 100 ug/ml BSA for BRD4 (1-4...


US Patent US10683290 (2020)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(1-477)


(Homo sapiens (Human))
BDBM445523
PNG
(2-[7-(Dimethyl-1,2-oxazol-4-yl)-5-[(S)-(2-fluoroph...)
Show SMILES Cc1noc(C)c1-c1ccc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1F)c1cc(cnc21)C(C)(C)O
Show InChI InChI=1S/C31H32FN3O3/c1-18-28(19(2)38-34-18)21-9-10-24-26(15-21)35(27-16-22(31(3,4)36)17-33-29(24)27)30(20-11-13-37-14-12-20)23-7-5-6-8-25(23)32/h5-10,15-17,20,30,36H,11-14H2,1-4H3/t30-/m0/s1
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Bristol-Myers Squibb Company

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Assay Description
All assay components were dissolved in buffer composition 20 mM Hepes pH 7.5, 150 mM NaCl, 5 mM DTT, 0.005% Tween 20, and 100 ug/ml BSA for BRD4 (1-4...


US Patent US10683290 (2020)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(1-477)


(Homo sapiens (Human))
BDBM445531
PNG
(1-Cyclopropyl-1-[7-(dimethyl-1H-1,2,3-triazol-5-yl...)
Show SMILES Cc1nnn(C)c1-c1cc2n([C@@H](C3CCOCC3)c3ccccc3F)c3cc(cnc3c2cc1F)C(C)(O)C1CC1
Show InChI InChI=1S/C32H33F2N5O2/c1-18-30(38(3)37-36-18)23-16-27-24(15-26(23)34)29-28(14-21(17-35-29)32(2,40)20-8-9-20)39(27)31(19-10-12-41-13-11-19)22-6-4-5-7-25(22)33/h4-7,14-17,19-20,31,40H,8-13H2,1-3H3/t31-,32?/m0/s1
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Bristol-Myers Squibb Company

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Assay Description
All assay components were dissolved in buffer composition 20 mM Hepes pH 7.5, 150 mM NaCl, 5 mM DTT, 0.005% Tween 20, and 100 ug/ml BSA for BRD4 (1-4...


US Patent US10683290 (2020)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(1-477)


(Homo sapiens (Human))
BDBM445535
PNG
(5-{3-Methanesulfonyl-5-[(S)-oxan-4-yl(phenyl)methy...)
Show SMILES Cc1nnn(C)c1-c1ccc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(cnc21)S(C)(=O)=O
Show InChI InChI=1S/C28H29N5O3S/c1-18-27(32(2)31-30-18)21-9-10-23-24(15-21)33(25-16-22(37(3,34)35)17-29-26(23)25)28(19-7-5-4-6-8-19)20-11-13-36-14-12-20/h4-10,15-17,20,28H,11-14H2,1-3H3/t28-/m1/s1
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Bristol-Myers Squibb Company

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Assay Description
All assay components were dissolved in buffer composition 20 mM Hepes pH 7.5, 150 mM NaCl, 5 mM DTT, 0.005% Tween 20, and 100 ug/ml BSA for BRD4 (1-4...


US Patent US10683290 (2020)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(1-477)


(Homo sapiens (Human))
BDBM445573
PNG
(US10683290, Example 41)
Show SMILES COc1cccnc1[C@@H](C1CCOCC1)n1c2cc(-c3c(C)nnn3C)c(F)cc2c2ncc(cc12)C(C)(C)O
Show InChI InChI=1S/C30H33FN6O3/c1-17-28(36(4)35-34-17)20-15-23-21(14-22(20)31)26-24(13-19(16-33-26)30(2,3)38)37(23)29(18-8-11-40-12-9-18)27-25(39-5)7-6-10-32-27/h6-7,10,13-16,18,29,38H,8-9,11-12H2,1-5H3/t29-/m1/s1
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Bristol-Myers Squibb Company

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Assay Description
All assay components were dissolved in buffer composition 20 mM Hepes pH 7.5, 150 mM NaCl, 5 mM DTT, 0.005% Tween 20, and 100 ug/ml BSA for BRD4 (1-4...


US Patent US10683290 (2020)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(1-477)


(Homo sapiens (Human))
BDBM445547
PNG
(US10683290, Example 42)
Show SMILES Cc1nnn(C)c1-c1cc2n([C@@H](C3CCOCC3)c3ncccc3C)c3cc(cnc3c2cc1F)C(C)(C)O
Show InChI InChI=1S/C30H33FN6O2/c1-17-7-6-10-32-26(17)29(19-8-11-39-12-9-19)37-24-15-21(28-18(2)34-35-36(28)5)23(31)14-22(24)27-25(37)13-20(16-33-27)30(3,4)38/h6-7,10,13-16,19,29,38H,8-9,11-12H2,1-5H3/t29-/m0/s1
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Bristol-Myers Squibb Company

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Assay Description
All assay components were dissolved in buffer composition 20 mM Hepes pH 7.5, 150 mM NaCl, 5 mM DTT, 0.005% Tween 20, and 100 ug/ml BSA for BRD4 (1-4...


US Patent US10683290 (2020)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(1-477)


(Homo sapiens (Human))
BDBM445576
PNG
(US10683290, Example 47)
Show SMILES Cc1nnn(C)c1-c1cc2n(C(C3CCOCC3)c3ncccn3)c3cc(cnc3c2cc1F)C(C)(C)O
Show InChI InChI=1S/C28H30FN7O2/c1-16-25(35(4)34-33-16)19-14-22-20(13-21(19)29)24-23(12-18(15-32-24)28(2,3)37)36(22)26(17-6-10-38-11-7-17)27-30-8-5-9-31-27/h5,8-9,12-15,17,26,37H,6-7,10-11H2,1-4H3
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Bristol-Myers Squibb Company

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Assay Description
All assay components were dissolved in buffer composition 20 mM Hepes pH 7.5, 150 mM NaCl, 5 mM DTT, 0.005% Tween 20, and 100 ug/ml BSA for BRD4 (1-4...


US Patent US10683290 (2020)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(1-477)


(Homo sapiens (Human))
BDBM445565
PNG
(US10683290, Example 64)
Show SMILES Cc1nnn(C)c1-c1cc2n([C@H](c3ccccc3)C3(C)COC3)c3cc(cnc3c2cc1F)C(C)(C)O
Show InChI InChI=1S/C29H30FN5O2/c1-17-26(34(5)33-32-17)20-13-23-21(12-22(20)30)25-24(11-19(14-31-25)28(2,3)36)35(23)27(29(4)15-37-16-29)18-9-7-6-8-10-18/h6-14,27,36H,15-16H2,1-5H3/t27-/m1/s1
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n/an/a<5n/an/an/an/an/an/a



Bristol-Myers Squibb Company

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Assay Description
All assay components were dissolved in buffer composition 20 mM Hepes pH 7.5, 150 mM NaCl, 5 mM DTT, 0.005% Tween 20, and 100 ug/ml BSA for BRD4 (1-4...


US Patent US10683290 (2020)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(1-477)


(Homo sapiens (Human))
BDBM445570
PNG
(US10683290, Example 69 | US10683290, Example 70)
Show SMILES Cc1nnn(C)c1-c1cc2n([C@@H](C3CCOCC3)c3ccc(F)cn3)c3cc(cnc3c2cc1F)C(C)(C)O
Show InChI InChI=1S/C29H30F2N6O2/c1-16-27(36(4)35-34-16)20-13-24-21(12-22(20)31)26-25(11-18(14-33-26)29(2,3)38)37(24)28(17-7-9-39-10-8-17)23-6-5-19(30)15-32-23/h5-6,11-15,17,28,38H,7-10H2,1-4H3/t28-/m0/s1
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n/an/a<5n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
All assay components were dissolved in buffer composition 20 mM Hepes pH 7.5, 150 mM NaCl, 5 mM DTT, 0.005% Tween 20, and 100 ug/ml BSA for BRD4 (1-4...


US Patent US10683290 (2020)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(1-477)


(Homo sapiens (Human))
BDBM445548
PNG
(US10683290, Example 44)
Show SMILES Cc1nnn(C)c1-c1cc2n([C@@H](C3CCOCC3)c3ccc(F)cn3)c3cc(cnc3c2cc1F)C(C)(C)O
Show InChI InChI=1S/C29H30F2N6O2/c1-16-27(36(4)35-34-16)20-13-24-21(12-22(20)31)26-25(11-18(14-33-26)29(2,3)38)37(24)28(17-7-9-39-10-8-17)23-6-5-19(30)15-32-23/h5-6,11-15,17,28,38H,7-10H2,1-4H3/t28-/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
All assay components were dissolved in buffer composition 20 mM Hepes pH 7.5, 150 mM NaCl, 5 mM DTT, 0.005% Tween 20, and 100 ug/ml BSA for BRD4 (1-4...


US Patent US10683290 (2020)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(1-477)


(Homo sapiens (Human))
BDBM445589
PNG
(US10683290, Example 82)
Show SMILES CCC[C@H](c1ncccc1F)n1c2cc(-c3c(C)nnn3C)c(Cl)cc2c2ncc(cc12)C(C)(C)O
Show InChI InChI=1S/C27H28ClFN6O/c1-6-8-21(25-20(29)9-7-10-30-25)35-22-13-17(26-15(2)32-33-34(26)5)19(28)12-18(22)24-23(35)11-16(14-31-24)27(3,4)36/h7,9-14,21,36H,6,8H2,1-5H3/t21-/m1/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
All assay components were dissolved in buffer composition 20 mM Hepes pH 7.5, 150 mM NaCl, 5 mM DTT, 0.005% Tween 20, and 100 ug/ml BSA for BRD4 (1-4...


US Patent US10683290 (2020)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(1-477)


(Homo sapiens (Human))
BDBM445584
PNG
(US10683290, Example 77)
Show SMILES Cc1nnn(C)c1-c1cc2n([C@@H](C3CCOCC3)c3ccccc3)c3cc(cnc3c2cc1Cl)C(C)(C)O
Show InChI InChI=1S/C30H32ClN5O2/c1-18-28(35(4)34-33-18)22-16-25-23(15-24(22)31)27-26(14-21(17-32-27)30(2,3)37)36(25)29(19-8-6-5-7-9-19)20-10-12-38-13-11-20/h5-9,14-17,20,29,37H,10-13H2,1-4H3/t29-/m1/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
All assay components were dissolved in buffer composition 20 mM Hepes pH 7.5, 150 mM NaCl, 5 mM DTT, 0.005% Tween 20, and 100 ug/ml BSA for BRD4 (1-4...


US Patent US10683290 (2020)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(1-477)


(Homo sapiens (Human))
BDBM445527
PNG
(2-[7-(Dimethyl-1H-1,2,3-triazol-5-yl)-8-fluoro-5-[...)
Show SMILES Cc1nnn(C)c1-c1cc2n([C@@H](C3CCOCC3)c3ccccc3)c3cc(cnc3c2cc1F)C(C)(C)O
Show InChI InChI=1S/C30H32FN5O2/c1-18-28(35(4)34-33-18)22-16-25-23(15-24(22)31)27-26(14-21(17-32-27)30(2,3)37)36(25)29(19-8-6-5-7-9-19)20-10-12-38-13-11-20/h5-9,14-17,20,29,37H,10-13H2,1-4H3/t29-/m1/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
All assay components were dissolved in buffer composition 20 mM Hepes pH 7.5, 150 mM NaCl, 5 mM DTT, 0.005% Tween 20, and 100 ug/ml BSA for BRD4 (1-4...


US Patent US10683290 (2020)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(1-477)


(Homo sapiens (Human))
BDBM445553
PNG
(US10683290, Example 51)
Show SMILES COc1ccnc(c1)[C@@H](C1CCOCC1)n1c2cc(-c3c(C)nnn3C)c(F)cc2c2ncc(cc12)C(C)(C)O
Show InChI InChI=1S/C30H33FN6O3/c1-17-28(36(4)35-34-17)21-15-25-22(14-23(21)31)27-26(12-19(16-33-27)30(2,3)38)37(25)29(18-7-10-40-11-8-18)24-13-20(39-5)6-9-32-24/h6,9,12-16,18,29,38H,7-8,10-11H2,1-5H3/t29-/m1/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
All assay components were dissolved in buffer composition 20 mM Hepes pH 7.5, 150 mM NaCl, 5 mM DTT, 0.005% Tween 20, and 100 ug/ml BSA for BRD4 (1-4...


US Patent US10683290 (2020)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(1-477)


(Homo sapiens (Human))
BDBM445563
PNG
(US10683290, Example 62)
Show SMILES COCC[C@H](c1ccccc1)n1c2cc(-c3c(C)nnn3C)c(F)cc2c2ncc(cc12)C(C)(C)O
Show InChI InChI=1S/C28H30FN5O2/c1-17-27(33(4)32-31-17)20-15-24-21(14-22(20)29)26-25(13-19(16-30-26)28(2,3)35)34(24)23(11-12-36-5)18-9-7-6-8-10-18/h6-10,13-16,23,35H,11-12H2,1-5H3/t23-/m1/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
All assay components were dissolved in buffer composition 20 mM Hepes pH 7.5, 150 mM NaCl, 5 mM DTT, 0.005% Tween 20, and 100 ug/ml BSA for BRD4 (1-4...


US Patent US10683290 (2020)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(1-477)


(Homo sapiens (Human))
BDBM445566
PNG
(US10683290, Example 65)
Show SMILES Cc1nnn(C)c1-c1cc2n([C@@H](c3ccccc3)C3(C)COC3)c3cc(cnc3c2cc1F)C(C)(C)O
Show InChI InChI=1S/C29H30FN5O2/c1-17-26(34(5)33-32-17)20-13-23-21(12-22(20)30)25-24(11-19(14-31-25)28(2,3)36)35(23)27(29(4)15-37-16-29)18-9-7-6-8-10-18/h6-14,27,36H,15-16H2,1-5H3/t27-/m0/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
All assay components were dissolved in buffer composition 20 mM Hepes pH 7.5, 150 mM NaCl, 5 mM DTT, 0.005% Tween 20, and 100 ug/ml BSA for BRD4 (1-4...


US Patent US10683290 (2020)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(1-477)


(Homo sapiens (Human))
BDBM445570
PNG
(US10683290, Example 69 | US10683290, Example 70)
Show SMILES Cc1nnn(C)c1-c1cc2n([C@@H](C3CCOCC3)c3ccc(F)cn3)c3cc(cnc3c2cc1F)C(C)(C)O
Show InChI InChI=1S/C29H30F2N6O2/c1-16-27(36(4)35-34-16)20-13-24-21(12-22(20)31)26-25(11-18(14-33-26)29(2,3)38)37(24)28(17-7-9-39-10-8-17)23-6-5-19(30)15-32-23/h5-6,11-15,17,28,38H,7-10H2,1-4H3/t28-/m0/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
All assay components were dissolved in buffer composition 20 mM Hepes pH 7.5, 150 mM NaCl, 5 mM DTT, 0.005% Tween 20, and 100 ug/ml BSA for BRD4 (1-4...


US Patent US10683290 (2020)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(1-477)


(Homo sapiens (Human))
BDBM445585
PNG
(US10683290, Example 78)
Show SMILES Cc1cc(no1)[C@@H](C1CCOCC1)n1c2cc(-c3c(C)nnn3C)c(Cl)cc2c2ncc(cc12)C(C)(C)O
Show InChI InChI=1S/C28H31ClN6O3/c1-15-10-22(32-38-15)27(17-6-8-37-9-7-17)35-23-13-19(26-16(2)31-33-34(26)5)21(29)12-20(23)25-24(35)11-18(14-30-25)28(3,4)36/h10-14,17,27,36H,6-9H2,1-5H3/t27-/m1/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
All assay components were dissolved in buffer composition 20 mM Hepes pH 7.5, 150 mM NaCl, 5 mM DTT, 0.005% Tween 20, and 100 ug/ml BSA for BRD4 (1-4...


US Patent US10683290 (2020)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(1-477)


(Homo sapiens (Human))
BDBM445588
PNG
(US10683290, Example 81)
Show SMILES Cc1nnn(C)c1-c1cc2n([C@@H](C3CCOCC3)c3ccccn3)c3cc(cnc3c2cc1Cl)C(C)(C)O
Show InChI InChI=1S/C29H31ClN6O2/c1-17-27(35(4)34-33-17)20-15-24-21(14-22(20)30)26-25(13-19(16-32-26)29(2,3)37)36(24)28(18-8-11-38-12-9-18)23-7-5-6-10-31-23/h5-7,10,13-16,18,28,37H,8-9,11-12H2,1-4H3/t28-/m0/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
All assay components were dissolved in buffer composition 20 mM Hepes pH 7.5, 150 mM NaCl, 5 mM DTT, 0.005% Tween 20, and 100 ug/ml BSA for BRD4 (1-4...


US Patent US10683290 (2020)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(1-477)


(Homo sapiens (Human))
BDBM445506
PNG
(4-{5-Benzyl-2-methyl-5H-pyrido[3,2-b]indol-7-yl}-3...)
Show SMILES Cc1noc(C)c1-c1ccc2c(c1)n(Cc1ccccc1)c1ccc(C)nc21
Show InChI InChI=1S/C24H21N3O/c1-15-9-12-21-24(25-15)20-11-10-19(23-16(2)26-28-17(23)3)13-22(20)27(21)14-18-7-5-4-6-8-18/h4-13H,14H2,1-3H3
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Bristol-Myers Squibb Company

US Patent


Assay Description
All assay components were dissolved in buffer composition 20 mM Hepes pH 7.5, 150 mM NaCl, 5 mM DTT, 0.005% Tween 20, and 100 ug/ml BSA for BRD4 (1-4...


US Patent US10683290 (2020)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(1-477)


(Homo sapiens (Human))
BDBM445550
PNG
(US10683290, Example 48)
Show SMILES CCCC[C@@H](c1ccccn1)n1c2cc(-c3c(C)nnn3C)c(F)cc2c2ncc(cc12)C(C)(C)O
Show InChI InChI=1S/C28H31FN6O/c1-6-7-11-23(22-10-8-9-12-30-22)35-24-15-19(27-17(2)32-33-34(27)5)21(29)14-20(24)26-25(35)13-18(16-31-26)28(3,4)36/h8-10,12-16,23,36H,6-7,11H2,1-5H3/t23-/m0/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
All assay components were dissolved in buffer composition 20 mM Hepes pH 7.5, 150 mM NaCl, 5 mM DTT, 0.005% Tween 20, and 100 ug/ml BSA for BRD4 (1-4...


US Patent US10683290 (2020)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(1-477)


(Homo sapiens (Human))
BDBM445581
PNG
(US10683290, Example 74)
Show SMILES Cc1cc(no1)[C@H](C1CCOCC1)n1c2cc(ccc2c2ncc(cc12)C(C)(C)O)-c1c(C)nnn1C
Show InChI InChI=1S/C28H32N6O3/c1-16-12-22(31-37-16)27(18-8-10-36-11-9-18)34-23-13-19(26-17(2)30-32-33(26)5)6-7-21(23)25-24(34)14-20(15-29-25)28(3,4)35/h6-7,12-15,18,27,35H,8-11H2,1-5H3/t27-/m0/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
All assay components were dissolved in buffer composition 20 mM Hepes pH 7.5, 150 mM NaCl, 5 mM DTT, 0.005% Tween 20, and 100 ug/ml BSA for BRD4 (1-4...


US Patent US10683290 (2020)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(1-477)


(Homo sapiens (Human))
BDBM445583
PNG
(US10683290, Example 76)
Show SMILES Cc1nnn(C)c1-c1cc2n([C@@H](C3CCOCC3)c3ncccc3F)c3cc(cnc3c2cc1Cl)C(C)(C)O
Show InChI InChI=1S/C29H30ClFN6O2/c1-16-27(36(4)35-34-16)19-14-23-20(13-21(19)30)25-24(12-18(15-33-25)29(2,3)38)37(23)28(17-7-10-39-11-8-17)26-22(31)6-5-9-32-26/h5-6,9,12-15,17,28,38H,7-8,10-11H2,1-4H3/t28-/m0/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
All assay components were dissolved in buffer composition 20 mM Hepes pH 7.5, 150 mM NaCl, 5 mM DTT, 0.005% Tween 20, and 100 ug/ml BSA for BRD4 (1-4...


US Patent US10683290 (2020)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(1-477)


(Homo sapiens (Human))
BDBM445587
PNG
(US10683290, Example 80)
Show SMILES Cc1nnn(C)c1-c1cc2n([C@H](C3CCOCC3)c3ccccn3)c3cc(cnc3c2cc1Cl)C(C)(C)O
Show InChI InChI=1S/C29H31ClN6O2/c1-17-27(35(4)34-33-17)20-15-24-21(14-22(20)30)26-25(13-19(16-32-26)29(2,3)37)36(24)28(18-8-11-38-12-9-18)23-7-5-6-10-31-23/h5-7,10,13-16,18,28,37H,8-9,11-12H2,1-4H3/t28-/m1/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
All assay components were dissolved in buffer composition 20 mM Hepes pH 7.5, 150 mM NaCl, 5 mM DTT, 0.005% Tween 20, and 100 ug/ml BSA for BRD4 (1-4...


US Patent US10683290 (2020)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(1-477)


(Homo sapiens (Human))
BDBM445475
PNG
(5-Benzyl-7-(dimethyl-1,2-oxazol-4-yl)-2-methyl-5H-...)
Show SMILES Cc1noc(C)c1-c1cc(C(N)=O)c2c(c1)n(Cc1ccccc1)c1ccc(C)nc21
Show InChI InChI=1S/C25H22N4O2/c1-14-9-10-20-24(27-14)23-19(25(26)30)11-18(22-15(2)28-31-16(22)3)12-21(23)29(20)13-17-7-5-4-6-8-17/h4-12H,13H2,1-3H3,(H2,26,30)
PDB

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Bristol-Myers Squibb Company

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Assay Description
All assay components were dissolved in buffer composition 20 mM Hepes pH 7.5, 150 mM NaCl, 5 mM DTT, 0.005% Tween 20, and 100 ug/ml BSA for BRD4 (1-4...


US Patent US10683290 (2020)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(1-477)


(Homo sapiens (Human))
BDBM445557
PNG
(US10683290, Example 55)
Show SMILES Cc1nnn(C)c1-c1cc2n([C@H](C3CCOCC3)c3ncccn3)c3cc(cnc3c2cc1F)C(C)(C)O
Show InChI InChI=1S/C28H30FN7O2/c1-16-25(35(4)34-33-16)19-14-22-20(13-21(19)29)24-23(12-18(15-32-24)28(2,3)37)36(22)26(17-6-10-38-11-7-17)27-30-8-5-9-31-27/h5,8-9,12-15,17,26,37H,6-7,10-11H2,1-4H3/t26-/m1/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
All assay components were dissolved in buffer composition 20 mM Hepes pH 7.5, 150 mM NaCl, 5 mM DTT, 0.005% Tween 20, and 100 ug/ml BSA for BRD4 (1-4...


US Patent US10683290 (2020)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(1-477)


(Homo sapiens (Human))
BDBM445569
PNG
(US10683290, Example 68)
Show SMILES Cc1nnn(C)c1-c1cc2n([C@@H](C3COC3)c3ccccc3)c3cc(cnc3c2cc1F)C(C)(C)O
Show InChI InChI=1S/C28H28FN5O2/c1-16-26(33(4)32-31-16)20-12-23-21(11-22(20)29)25-24(10-19(13-30-25)28(2,3)35)34(23)27(18-14-36-15-18)17-8-6-5-7-9-17/h5-13,18,27,35H,14-15H2,1-4H3/t27-/m1/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
All assay components were dissolved in buffer composition 20 mM Hepes pH 7.5, 150 mM NaCl, 5 mM DTT, 0.005% Tween 20, and 100 ug/ml BSA for BRD4 (1-4...


US Patent US10683290 (2020)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(1-477)


(Homo sapiens (Human))
BDBM445582
PNG
(US10683290, Example 75)
Show SMILES Cc1nnn(C)c1-c1cc2n([C@H](C3CCOCC3)c3ncccc3F)c3cc(cnc3c2cc1Cl)C(C)(C)O
Show InChI InChI=1S/C29H30ClFN6O2/c1-16-27(36(4)35-34-16)19-14-23-20(13-21(19)30)25-24(12-18(15-33-25)29(2,3)38)37(23)28(17-7-10-39-11-8-17)26-22(31)6-5-9-32-26/h5-6,9,12-15,17,28,38H,7-8,10-11H2,1-4H3/t28-/m1/s1
PDB

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PC sid
UniChem
US Patent
n/an/a<1.50E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
All assay components were dissolved in buffer composition 20 mM Hepes pH 7.5, 150 mM NaCl, 5 mM DTT, 0.005% Tween 20, and 100 ug/ml BSA for BRD4 (1-4...


US Patent US10683290 (2020)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(1-477)


(Homo sapiens (Human))
BDBM445555
PNG
(US10683290, Example 53)
Show SMILES Cc1nnn(C)c1-c1cc2n([C@@H](C3CCOCC3)c3cc(C)ccn3)c3cc(cnc3c2cc1F)C(C)(C)O
Show InChI InChI=1S/C30H33FN6O2/c1-17-6-9-32-24(12-17)29(19-7-10-39-11-8-19)37-25-15-21(28-18(2)34-35-36(28)5)23(31)14-22(25)27-26(37)13-20(16-33-27)30(3,4)38/h6,9,12-16,19,29,38H,7-8,10-11H2,1-5H3/t29-/m0/s1
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UniChem
US Patent
n/an/a<1.50E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
All assay components were dissolved in buffer composition 20 mM Hepes pH 7.5, 150 mM NaCl, 5 mM DTT, 0.005% Tween 20, and 100 ug/ml BSA for BRD4 (1-4...


US Patent US10683290 (2020)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(1-477)


(Homo sapiens (Human))
BDBM445542
PNG
(2-{8-Fluoro-5-[(5-methyl-1,2-oxazol-3-yl)(oxan-4-y...)
Show SMILES Cc1cc(no1)C(C1CCOCC1)n1c2cc(-c3c(C)nnn3C)c(F)cc2c2ncc(cc12)C(C)(C)O
Show InChI InChI=1S/C28H31FN6O3/c1-15-10-22(32-38-15)27(17-6-8-37-9-7-17)35-23-13-19(26-16(2)31-33-34(26)5)21(29)12-20(23)25-24(35)11-18(14-30-25)28(3,4)36/h10-14,17,27,36H,6-9H2,1-5H3
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UniChem
US Patent
n/an/a<1.50E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
All assay components were dissolved in buffer composition 20 mM Hepes pH 7.5, 150 mM NaCl, 5 mM DTT, 0.005% Tween 20, and 100 ug/ml BSA for BRD4 (1-4...


US Patent US10683290 (2020)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(1-477)


(Homo sapiens (Human))
BDBM445546
PNG
(US10683290, Example 40)
Show SMILES COc1cccnc1[C@H](C1CCOCC1)n1c2cc(-c3c(C)nnn3C)c(F)cc2c2ncc(cc12)C(C)(C)O
Show InChI InChI=1S/C30H33FN6O3/c1-17-28(36(4)35-34-17)20-15-23-21(14-22(20)31)26-24(13-19(16-33-26)30(2,3)38)37(23)29(18-8-11-40-12-9-18)27-25(39-5)7-6-10-32-27/h6-7,10,13-16,18,29,38H,8-9,11-12H2,1-5H3/t29-/m0/s1
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US Patent
n/an/a<1.50E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
All assay components were dissolved in buffer composition 20 mM Hepes pH 7.5, 150 mM NaCl, 5 mM DTT, 0.005% Tween 20, and 100 ug/ml BSA for BRD4 (1-4...


US Patent US10683290 (2020)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(1-477)


(Homo sapiens (Human))
BDBM445586
PNG
(US10683290, Example 79)
Show SMILES Cc1cc(no1)[C@H](C1CCOCC1)n1c2cc(-c3c(C)nnn3C)c(Cl)cc2c2ncc(cc12)C(C)(C)O
Show InChI InChI=1S/C28H31ClN6O3/c1-15-10-22(32-38-15)27(17-6-8-37-9-7-17)35-23-13-19(26-16(2)31-33-34(26)5)21(29)12-20(23)25-24(35)11-18(14-30-25)28(3,4)36/h10-14,17,27,36H,6-9H2,1-5H3/t27-/m0/s1
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UniChem
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n/an/a<1.50E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
All assay components were dissolved in buffer composition 20 mM Hepes pH 7.5, 150 mM NaCl, 5 mM DTT, 0.005% Tween 20, and 100 ug/ml BSA for BRD4 (1-4...


US Patent US10683290 (2020)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)(1-477)


(Homo sapiens (Human))
BDBM445559
PNG
(US10683290, Example 57)
Show SMILES Cc1nnn(C)c1-c1cc2n([C@@H](C3CCOCC3)c3ccc(C)cn3)c3cc(cnc3c2cc1F)C(C)(C)O
Show InChI InChI=1S/C30H33FN6O2/c1-17-6-7-24(32-15-17)29(19-8-10-39-11-9-19)37-25-14-21(28-18(2)34-35-36(28)5)23(31)13-22(25)27-26(37)12-20(16-33-27)30(3,4)38/h6-7,12-16,19,29,38H,8-11H2,1-5H3/t29-/m0/s1
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US Patent
n/an/a<1.50E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
All assay components were dissolved in buffer composition 20 mM Hepes pH 7.5, 150 mM NaCl, 5 mM DTT, 0.005% Tween 20, and 100 ug/ml BSA for BRD4 (1-4...


US Patent US10683290 (2020)

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