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Patent code US10023592

Compile Data Set for Download or QSAR

Found 505 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM284968
PNG
(N-[3-(2-methyl-1-oxoisoquinolin-4-yl) phenyl]ethan...)
Show SMILES CCS(=O)(=O)Nc1cccc(c1)-c1cn(C)c(=O)c2ccccc12
Show InChI InChI=1S/C18H18N2O3S/c1-3-24(22,23)19-14-8-6-7-13(11-14)17-12-20(2)18(21)16-10-5-4-9-15(16)17/h4-12,19H,3H2,1-2H3
PDB

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Celgene Quanticel Research, Inc.

US Patent


Assay Description
Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BRD4 was cloned, expr...


US Patent US10023592 (2018)

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


(Homo sapiens (Human))
BDBM284983
PNG
(N-[3-(2-methyl-1-oxoisoquinolin-4-yl) phenyl]propa...)
Show SMILES CCCS(=O)(=O)Nc1cccc(c1)-c1cn(C)c(=O)c2ccccc12
Show InChI InChI=1S/C19H20N2O3S/c1-3-11-25(23,24)20-15-8-6-7-14(12-15)18-13-21(2)19(22)17-10-5-4-9-16(17)18/h4-10,12-13,20H,3,11H2,1-2H3
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Celgene Quanticel Research, Inc.

US Patent


Assay Description
Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BRD4 was cloned, expr...


US Patent US10023592 (2018)

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


(Homo sapiens (Human))
BDBM285296
PNG
(2-methyl-4-(3-methylsulfonyl-5- phenylmethoxypheny...)
Show SMILES Cn1cc(-c2cc(OCc3ccccc3)cc(c2)S(C)(=O)=O)c2ccccc2c1=O
Show InChI InChI=1S/C24H21NO4S/c1-25-15-23(21-10-6-7-11-22(21)24(25)26)18-12-19(14-20(13-18)30(2,27)28)29-16-17-8-4-3-5-9-17/h3-15H,16H2,1-2H3
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Celgene Quanticel Research, Inc.

US Patent


Assay Description
Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BRD4 was cloned, expr...


US Patent US10023592 (2018)

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


(Homo sapiens (Human))
BDBM284998
PNG
(N-[2,4-difluoro-5-[2-methyl-6-(1- methylpyrazol-4-...)
Show SMILES Cn1cc(cn1)-c1ccc2c(c1)c(cn(C)c2=O)-c1cc(NS(C)(=O)=O)c(F)cc1F
Show InChI InChI=1S/C21H18F2N4O3S/c1-26-11-17(16-7-20(25-31(3,29)30)19(23)8-18(16)22)15-6-12(4-5-14(15)21(26)28)13-9-24-27(2)10-13/h4-11,25H,1-3H3
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Celgene Quanticel Research, Inc.

US Patent


Assay Description
Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BRD4 was cloned, expr...


US Patent US10023592 (2018)

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


(Homo sapiens (Human))
BDBM285027
PNG
(N-[3-[2-methyl-6-(6-methylpyridin-3-yl)-1- oxoisoq...)
Show SMILES CCS(=O)(=O)Nc1cccc(c1)-c1cn(C)c(=O)c2ccc(cc12)-c1ccc(C)nc1
Show InChI InChI=1S/C24H23N3O3S/c1-4-31(29,30)26-20-7-5-6-18(12-20)23-15-27(3)24(28)21-11-10-17(13-22(21)23)19-9-8-16(2)25-14-19/h5-15,26H,4H2,1-3H3
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Celgene Quanticel Research, Inc.

US Patent


Assay Description
Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BRD4 was cloned, expr...


US Patent US10023592 (2018)

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


(Homo sapiens (Human))
BDBM285031
PNG
(N-[3-(6-ethyl-2-methyl-1-oxoisoquinolin-4-yl) phen...)
Show SMILES CCc1ccc2c(c1)c(cn(C)c2=O)-c1cccc(NS(=O)(=O)CC)c1
Show InChI InChI=1S/C20H22N2O3S/c1-4-14-9-10-17-18(11-14)19(13-22(3)20(17)23)15-7-6-8-16(12-15)21-26(24,25)5-2/h6-13,21H,4-5H2,1-3H3
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Celgene Quanticel Research, Inc.

US Patent


Assay Description
Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BRD4 was cloned, expr...


US Patent US10023592 (2018)

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


(Homo sapiens (Human))
BDBM285041
PNG
(N-[2-fluoro-4-methoxy-5-[2-methyl-6-(1- methylpyra...)
Show SMILES CCS(=O)(=O)Nc1cc(c(OC)cc1F)-c1cn(C)c(=O)c2ccc(cc12)-c1cnn(C)c1
Show InChI InChI=1S/C23H23FN4O4S/c1-5-33(30,31)26-21-9-18(22(32-4)10-20(21)24)19-13-27(2)23(29)16-7-6-14(8-17(16)19)15-11-25-28(3)12-15/h6-13,26H,5H2,1-4H3
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Celgene Quanticel Research, Inc.

US Patent


Assay Description
Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BRD4 was cloned, expr...


US Patent US10023592 (2018)

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


(Homo sapiens (Human))
BDBM285043
PNG
(4-[4-fluoro-2-methoxy-5- (methylsulfonylmethyl)phe...)
Show SMILES COc1cc(F)c(NS(C)(=O)=O)cc1-c1cn(C)c(=O)c2ccc(cc12)-c1cnn(C)c1
Show InChI InChI=1S/C22H21FN4O4S/c1-26-12-18(17-8-20(25-32(4,29)30)19(23)9-21(17)31-3)16-7-13(5-6-15(16)22(26)28)14-10-24-27(2)11-14/h5-12,25H,1-4H3
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Celgene Quanticel Research, Inc.

US Patent


Assay Description
Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BRD4 was cloned, expr...


US Patent US10023592 (2018)

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


(Homo sapiens (Human))
BDBM285308
PNG
(N-[5-butyl-4-(5-methoxy-1-methyl-6- oxopyridin-3-y...)
Show SMILES CCCCc1cnc(NS(=O)(=O)CC)nc1-c1cc(OC)c(=O)n(C)c1
Show InChI InChI=1S/C17H24N4O4S/c1-5-7-8-12-10-18-17(20-26(23,24)6-2)19-15(12)13-9-14(25-4)16(22)21(3)11-13/h9-11H,5-8H2,1-4H3,(H,18,19,20)
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Celgene Quanticel Research, Inc.

US Patent


Assay Description
Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BRD4 was cloned, expr...


US Patent US10023592 (2018)

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


(Homo sapiens (Human))
BDBM285316
PNG
(7-methyl-5-[5-(methylsulfonylmethyl)-2- (2,2,2-tri...)
Show SMILES Cn1cc(-c2cc(CS(C)(=O)=O)ccc2OCC(F)(F)F)n2cncc2c1=O
Show InChI InChI=1S/C17H16F3N3O4S/c1-22-7-14(23-10-21-6-13(23)16(22)24)12-5-11(8-28(2,25)26)3-4-15(12)27-9-17(18,19)20/h3-7,10H,8-9H2,1-2H3
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Celgene Quanticel Research, Inc.

US Patent


Assay Description
Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BRD4 was cloned, expr...


US Patent US10023592 (2018)

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


(Homo sapiens (Human))
BDBM285318
PNG
(5-[2-(2,4-difluorophenoxy)-5- (methylsulfonylmethy...)
Show SMILES Cn1cc(-c2cc(CS(C)(=O)=O)ccc2Oc2ccc(F)cc2F)n2cncc2c1=O
Show InChI InChI=1S/C21H17F2N3O4S/c1-25-10-18(26-12-24-9-17(26)21(25)27)15-7-13(11-31(2,28)29)3-5-19(15)30-20-6-4-14(22)8-16(20)23/h3-10,12H,11H2,1-2H3
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Celgene Quanticel Research, Inc.

US Patent


Assay Description
Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BRD4 was cloned, expr...


US Patent US10023592 (2018)

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


(Homo sapiens (Human))
BDBM285320
PNG
(5-(2-cyclopentyloxy-5-ethylsulfonylphenyl)-7- meth...)
Show SMILES CCS(=O)(=O)c1ccc(OC2CCCC2)c(c1)-c1cn(C)c(=O)c2cncn12
Show InChI InChI=1S/C20H23N3O4S/c1-3-28(25,26)15-8-9-19(27-14-6-4-5-7-14)16(10-15)18-12-22(2)20(24)17-11-21-13-23(17)18/h8-14H,3-7H2,1-2H3
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Celgene Quanticel Research, Inc.

US Patent


Assay Description
Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BRD4 was cloned, expr...


US Patent US10023592 (2018)

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


(Homo sapiens (Human))
BDBM285321
PNG
(5-[2-(cyclopropylmethylamino)-5- ethylsulfonylphen...)
Show SMILES CCS(=O)(=O)c1ccc(NCC2CC2)c(c1)-c1cn(C)c(=O)c2cncn12
Show InChI InChI=1S/C19H22N4O3S/c1-3-27(25,26)14-6-7-16(21-9-13-4-5-13)15(8-14)18-11-22(2)19(24)17-10-20-12-23(17)18/h6-8,10-13,21H,3-5,9H2,1-2H3
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Celgene Quanticel Research, Inc.

US Patent


Assay Description
Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BRD4 was cloned, expr...


US Patent US10023592 (2018)

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


(Homo sapiens (Human))
BDBM285331
PNG
(5-[4-(2,4-difluorophenoxy)-1- (methylsulfonylmethy...)
Show SMILES Cc1cc(cn(C)c1=O)-c1cn(CS(C)(=O)=O)c(=O)cc1Oc1ccc(F)cc1F
Show InChI InChI=1S/C20H18F2N2O5S/c1-12-6-13(9-23(2)20(12)26)15-10-24(11-30(3,27)28)19(25)8-18(15)29-17-5-4-14(21)7-16(17)22/h4-10H,11H2,1-3H3
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Celgene Quanticel Research, Inc.

US Patent


Assay Description
Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BRD4 was cloned, expr...


US Patent US10023592 (2018)

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


(Homo sapiens (Human))
BDBM285341
PNG
(N-[3-(1,5-dimethyl-6-oxopyridin-3-yl)-5- phenylmet...)
Show SMILES CCS(=O)(=O)Nc1cc(OCc2ccccc2)cc(c1)-c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C22H24N2O4S/c1-4-29(26,27)23-20-11-18(19-10-16(2)22(25)24(3)14-19)12-21(13-20)28-15-17-8-6-5-7-9-17/h5-14,23H,4,15H2,1-3H3
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Celgene Quanticel Research, Inc.

US Patent


Assay Description
Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BRD4 was cloned, expr...


US Patent US10023592 (2018)

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


(Homo sapiens (Human))
BDBM285345
PNG
(5-[2-(cyclopropylmethoxy)-5- ethylsulfonylphenyl]-...)
Show SMILES CCS(=O)(=O)c1ccc(OCC2CC2)c(c1)-c1cc(OC)c(=O)n(C)c1
Show InChI InChI=1S/C19H23NO5S/c1-4-26(22,23)15-7-8-17(25-12-13-5-6-13)16(10-15)14-9-18(24-3)19(21)20(2)11-14/h7-11,13H,4-6,12H2,1-3H3
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Celgene Quanticel Research, Inc.

US Patent


Assay Description
Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BRD4 was cloned, expr...


US Patent US10023592 (2018)

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


(Homo sapiens (Human))
BDBM285054
PNG
(N-[4-(2,4-difluorophenoxy)-3-(1-methyl-6- oxopyrid...)
Show SMILES CCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(c1)-c1ccc(=O)n(C)c1
Show InChI InChI=1S/C20H18F2N2O4S/c1-3-29(26,27)23-15-6-8-18(28-19-7-5-14(21)10-17(19)22)16(11-15)13-4-9-20(25)24(2)12-13/h4-12,23H,3H2,1-2H3
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Celgene Quanticel Research, Inc.

US Patent


Assay Description
Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BRD4 was cloned, expr...


US Patent US10023592 (2018)

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


(Homo sapiens (Human))
BDBM285055
PNG
(N-[4-(2,4-difluorophenoxy)-3-(1-methyl-6- oxopyrid...)
Show SMILES Cn1cc(ccc1=O)-c1cc(NS(C)(=O)=O)ccc1Oc1ccc(F)cc1F
Show InChI InChI=1S/C19H16F2N2O4S/c1-23-11-12(3-8-19(23)24)15-10-14(22-28(2,25)26)5-7-17(15)27-18-6-4-13(20)9-16(18)21/h3-11,22H,1-2H3
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Celgene Quanticel Research, Inc.

US Patent


Assay Description
Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BRD4 was cloned, expr...


US Patent US10023592 (2018)

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


(Homo sapiens (Human))
BDBM285071
PNG
(3-amino-5-[2-(cyclopropylmethoxy)-5- methylsulfony...)
Show SMILES Cn1cc(cc(N)c1=O)-c1cc(ccc1OCC1CC1)S(C)(=O)=O
Show InChI InChI=1S/C17H20N2O4S/c1-19-9-12(7-15(18)17(19)20)14-8-13(24(2,21)22)5-6-16(14)23-10-11-3-4-11/h5-9,11H,3-4,10,18H2,1-2H3
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Celgene Quanticel Research, Inc.

US Patent


Assay Description
Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BRD4 was cloned, expr...


US Patent US10023592 (2018)

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


(Homo sapiens (Human))
BDBM285085
PNG
(5-[2-(cyclopropylmethoxy)-5-methyl- sulfonylphenyl...)
Show SMILES Cn1cc(-c2cc(ccc2OCC2CC2)S(C)(=O)=O)n2cncc2c1=O
Show InChI InChI=1S/C18H19N3O4S/c1-20-9-16(21-11-19-8-15(21)18(20)22)14-7-13(26(2,23)24)5-6-17(14)25-10-12-3-4-12/h5-9,11-12H,3-4,10H2,1-2H3
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Celgene Quanticel Research, Inc.

US Patent


Assay Description
Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BRD4 was cloned, expr...


US Patent US10023592 (2018)

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


(Homo sapiens (Human))
BDBM285098
PNG
(4-[5-(cyclopropylmethoxy)-2- (methylsulfonylmethyl...)
Show SMILES Cn1cc(-c2nc(CS(C)(=O)=O)ncc2OCC2CC2)c2ccccc2c1=O
Show InChI InChI=1S/C20H21N3O4S/c1-23-10-16(14-5-3-4-6-15(14)20(23)24)19-17(27-11-13-7-8-13)9-21-18(22-19)12-28(2,25)26/h3-6,9-10,13H,7-8,11-12H2,1-2H3
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Celgene Quanticel Research, Inc.

US Patent


Assay Description
Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BRD4 was cloned, expr...


US Patent US10023592 (2018)

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


(Homo sapiens (Human))
BDBM285372
PNG
(1,3-dimethyl-5-[5-methylsulfonyl-2-(oxolan- 3-ylox...)
Show SMILES Cc1cc(cn(C)c1=O)-c1cc(ccc1OC1CCOC1)S(C)(=O)=O
Show InChI InChI=1S/C18H21NO5S/c1-12-8-13(10-19(2)18(12)20)16-9-15(25(3,21)22)4-5-17(16)24-14-6-7-23-11-14/h4-5,8-10,14H,6-7,11H2,1-3H3
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Celgene Quanticel Research, Inc.

US Patent


Assay Description
Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BRD4 was cloned, expr...


US Patent US10023592 (2018)

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


(Homo sapiens (Human))
BDBM285374
PNG
(5-[2-(cyclopropylmethylamino)-5- methylsulfonylphe...)
Show SMILES CCn1cc(cc(C)c1=O)-c1cc(ccc1NCC1CC1)S(C)(=O)=O
Show InChI InChI=1S/C19H24N2O3S/c1-4-21-12-15(9-13(2)19(21)22)17-10-16(25(3,23)24)7-8-18(17)20-11-14-5-6-14/h7-10,12,14,20H,4-6,11H2,1-3H3
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Celgene Quanticel Research, Inc.

US Patent


Assay Description
Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BRD4 was cloned, expr...


US Patent US10023592 (2018)

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


(Homo sapiens (Human))
BDBM285394
PNG
(N-[3-(1,5-dimethyl-6-oxopyridin-3-yl)-4- (oxan-3-y...)
Show SMILES CCS(=O)(=O)Nc1ccc(OC2CCCOC2)c(c1)-c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C20H26N2O5S/c1-4-28(24,25)21-16-7-8-19(27-17-6-5-9-26-13-17)18(11-16)15-10-14(2)20(23)22(3)12-15/h7-8,10-12,17,21H,4-6,9,13H2,1-3H3
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Celgene Quanticel Research, Inc.

US Patent


Assay Description
Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BRD4 was cloned, expr...


US Patent US10023592 (2018)

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


(Homo sapiens (Human))
BDBM285400
PNG
(5-[2-(2,4-difluorophenoxy)-5- (methylsulfonylmethy...)
Show SMILES Cc1cc(=O)n(C)cc1-c1cc(CS(C)(=O)=O)ccc1Oc1ccc(F)cc1F
Show InChI InChI=1S/C21H19F2NO4S/c1-13-8-21(25)24(2)11-17(13)16-9-14(12-29(3,26)27)4-6-19(16)28-20-7-5-15(22)10-18(20)23/h4-11H,12H2,1-3H3
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Celgene Quanticel Research, Inc.

US Patent


Assay Description
Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BRD4 was cloned, expr...


US Patent US10023592 (2018)

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


(Homo sapiens (Human))
BDBM285405
PNG
(5-[2-(cyclobutylmethoxy)-5- methylsulfonylphenyl]-...)
Show SMILES Cc1cc(cn(C)c1=O)-c1cc(ccc1OCC1CCC1)S(C)(=O)=O
Show InChI InChI=1S/C19H23NO4S/c1-13-9-15(11-20(2)19(13)21)17-10-16(25(3,22)23)7-8-18(17)24-12-14-5-4-6-14/h7-11,14H,4-6,12H2,1-3H3
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Celgene Quanticel Research, Inc.

US Patent


Assay Description
Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BRD4 was cloned, expr...


US Patent US10023592 (2018)

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


(Homo sapiens (Human))
BDBM285408
PNG
(5-[2-(cyclopropylmethylamino)-5- methylsulfonylphe...)
Show SMILES Cc1cc(cn(C)c1=O)-c1cc(ccc1NCC1CC1)S(C)(=O)=O
Show InChI InChI=1S/C18H22N2O3S/c1-12-8-14(11-20(2)18(12)21)16-9-15(24(3,22)23)6-7-17(16)19-10-13-4-5-13/h6-9,11,13,19H,4-5,10H2,1-3H3
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Celgene Quanticel Research, Inc.

US Patent


Assay Description
Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BRD4 was cloned, expr...


US Patent US10023592 (2018)

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


(Homo sapiens (Human))
BDBM285112
PNG
(N-[5-(cyclopropylmethoxy)-4-(6-fluoro-2- methyl-1-...)
Show SMILES CCS(=O)(=O)Nc1ncc(OCC2CC2)c(n1)-c1cn(C)c(=O)c2ccc(F)cc12
Show InChI InChI=1S/C20H21FN4O4S/c1-3-30(27,28)24-20-22-9-17(29-11-12-4-5-12)18(23-20)16-10-25(2)19(26)14-7-6-13(21)8-15(14)16/h6-10,12H,3-5,11H2,1-2H3,(H,22,23,24)
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Celgene Quanticel Research, Inc.

US Patent


Assay Description
Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BRD4 was cloned, expr...


US Patent US10023592 (2018)

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


(Homo sapiens (Human))
BDBM285139
PNG
(4-(2-but-2-ynoxy-5-methylsulfonylphenyl)-2- methyl...)
Show SMILES CC#CCOc1ccc(cc1-c1cn(C)c(=O)c2ccccc12)S(C)(=O)=O
Show InChI InChI=1S/C21H19NO4S/c1-4-5-12-26-20-11-10-15(27(3,24)25)13-18(20)19-14-22(2)21(23)17-9-7-6-8-16(17)19/h6-11,13-14H,12H2,1-3H3
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Celgene Quanticel Research, Inc.

US Patent


Assay Description
Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BRD4 was cloned, expr...


US Patent US10023592 (2018)

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


(Homo sapiens (Human))
BDBM285141
PNG
(6-fluoro-4-[2-(trans-4-hydroxycyclohexyl)oxy- 5-me...)
Show SMILES Cn1cc(-c2cc(ccc2O[C@H]2CC[C@H](O)CC2)S(C)(=O)=O)c2cc(F)ccc2c1=O
Show InChI InChI=1S/C23H24FNO5S/c1-25-13-21(19-11-14(24)3-9-18(19)23(25)27)20-12-17(31(2,28)29)8-10-22(20)30-16-6-4-15(26)5-7-16/h3,8-13,15-16,26H,4-7H2,1-2H3/t15-,16-
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Celgene Quanticel Research, Inc.

US Patent


Assay Description
Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BRD4 was cloned, expr...


US Patent US10023592 (2018)

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


(Homo sapiens (Human))
BDBM285151
PNG
(4-[2-(cyclopropylmethylamino)-5- methylsulfonylphe...)
Show SMILES Cn1cc(-c2cc(ccc2NCC2CC2)S(C)(O)=O)c2ccc(F)cc2c1=O
Show InChI InChI=1S/C21H23FN2O3S/c1-24-12-19(16-7-5-14(22)9-18(16)21(24)25)17-10-15(28(2,26)27)6-8-20(17)23-11-13-3-4-13/h5-10,12-13,23,28H,3-4,11H2,1-2H3,(H,26,27)
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Celgene Quanticel Research, Inc.

US Patent


Assay Description
Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BRD4 was cloned, expr...


US Patent US10023592 (2018)

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


(Homo sapiens (Human))
BDBM285156
PNG
(4-[3-(cyclopropylmethoxy)-6- methylsulfonylpyridin...)
Show SMILES Cn1cc(-c2nc(ccc2OCC2CC2)S(C)(=O)=O)c2ccc(F)cc2c1=O
Show InChI InChI=1S/C20H19FN2O4S/c1-23-10-16(14-6-5-13(21)9-15(14)20(23)24)19-17(27-11-12-3-4-12)7-8-18(22-19)28(2,25)26/h5-10,12H,3-4,11H2,1-2H3
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Celgene Quanticel Research, Inc.

US Patent


Assay Description
Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BRD4 was cloned, expr...


US Patent US10023592 (2018)

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


(Homo sapiens (Human))
BDBM285160
PNG
(4-[2-(cyclopropylmethylamino)-5- ethylsulfonylthio...)
Show SMILES CCS(=O)(=O)c1cc(c(NCC2CC2)s1)-c1cn(C)c(=O)c2ccccc12
Show InChI InChI=1S/C20H22N2O3S2/c1-3-27(24,25)18-10-16(19(26-18)21-11-13-8-9-13)17-12-22(2)20(23)15-7-5-4-6-14(15)17/h4-7,10,12-13,21H,3,8-9,11H2,1-2H3
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Celgene Quanticel Research, Inc.

US Patent


Assay Description
Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BRD4 was cloned, expr...


US Patent US10023592 (2018)

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


(Homo sapiens (Human))
BDBM285414
PNG
(5-[2-(cyclopropylmethylamino)-5- methylsulfonylphe...)
Show SMILES Cn1cc(ccc1=O)-c1cc(ccc1NCC1CC1)S(C)(=O)=O
Show InChI InChI=1S/C17H20N2O3S/c1-19-11-13(5-8-17(19)20)15-9-14(23(2,21)22)6-7-16(15)18-10-12-3-4-12/h5-9,11-12,18H,3-4,10H2,1-2H3
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Celgene Quanticel Research, Inc.

US Patent


Assay Description
Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BRD4 was cloned, expr...


US Patent US10023592 (2018)

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


(Homo sapiens (Human))
BDBM285423
PNG
(5-[2-(cyclopropylmethoxy)-5- methylsulfonylphenyl]...)
Show SMILES Cn1cc(ccc1=O)-c1cc(ccc1OCC1CC1)S(C)(=O)=O
Show InChI InChI=1S/C17H19NO4S/c1-18-10-13(5-8-17(18)19)15-9-14(23(2,20)21)6-7-16(15)22-11-12-3-4-12/h5-10,12H,3-4,11H2,1-2H3
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Celgene Quanticel Research, Inc.

US Patent


Assay Description
Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BRD4 was cloned, expr...


US Patent US10023592 (2018)

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


(Homo sapiens (Human))
BDBM285434
PNG
(2-methyl-4-[5-(methylsulfonylmethyl)-2- (2,2,2-tri...)
Show SMILES Cn1cc(-c2cc(CS(C)(=O)=O)ccc2OCC(F)(F)F)c2ccccc2c1=O
Show InChI InChI=1S/C20H18F3NO4S/c1-24-10-17(14-5-3-4-6-15(14)19(24)25)16-9-13(11-29(2,26)27)7-8-18(16)28-12-20(21,22)23/h3-10H,11-12H2,1-2H3
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Celgene Quanticel Research, Inc.

US Patent


Assay Description
Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BRD4 was cloned, expr...


US Patent US10023592 (2018)

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


(Homo sapiens (Human))
BDBM285440
PNG
(4-(2-ethyl-5-methylsulfonyl-2,3-dihydro-1- benzofu...)
Show SMILES CCC1Cc2cc(cc(c2O1)-c1cn(C)c(=O)c2ccccc12)S(C)(=O)=O
Show InChI InChI=1S/C21H21NO4S/c1-4-14-9-13-10-15(27(3,24)25)11-18(20(13)26-14)19-12-22(2)21(23)17-8-6-5-7-16(17)19/h5-8,10-12,14H,4,9H2,1-3H3
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Celgene Quanticel Research, Inc.

US Patent


Assay Description
Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BRD4 was cloned, expr...


US Patent US10023592 (2018)

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


(Homo sapiens (Human))
BDBM285170
PNG
(US10023592, Example 215 | [4-(cyclopropylmethoxy)-...)
Show SMILES Cc1cc(cn(C)c1=O)-c1cc(OS(N)(=O)=O)ccc1OCC1CC1
Show InChI InChI=1S/C17H20N2O5S/c1-11-7-13(9-19(2)17(11)20)15-8-14(24-25(18,21)22)5-6-16(15)23-10-12-3-4-12/h5-9,12H,3-4,10H2,1-2H3,(H2,18,21,22)
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Celgene Quanticel Research, Inc.

US Patent


Assay Description
Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BRD4 was cloned, expr...


US Patent US10023592 (2018)

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


(Homo sapiens (Human))
BDBM285171
PNG
(4-(2-ethoxy-5-methylsulfonylphenyl)-2- methyl-5,6,...)
Show SMILES CCOc1ccc(cc1-c1cn(C)c(=O)c2CCCCc12)S(C)(=O)=O
Show InChI InChI=1S/C19H23NO4S/c1-4-24-18-10-9-13(25(3,22)23)11-16(18)17-12-20(2)19(21)15-8-6-5-7-14(15)17/h9-12H,4-8H2,1-3H3
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Celgene Quanticel Research, Inc.

US Patent


Assay Description
Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BRD4 was cloned, expr...


US Patent US10023592 (2018)

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


(Homo sapiens (Human))
BDBM285180
PNG
(8-(5-ethylsulfonyl-2-propoxyphenyl)-6-methyl- 2-(1...)
Show SMILES CCCOc1ccc(cc1-c1cn(C)c(=O)c2cnc(nc12)-c1cnn(C)c1)S(=O)(=O)CC
Show InChI InChI=1S/C23H25N5O4S/c1-5-9-32-20-8-7-16(33(30,31)6-2)10-17(20)19-14-27(3)23(29)18-12-24-22(26-21(18)19)15-11-25-28(4)13-15/h7-8,10-14H,5-6,9H2,1-4H3
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Celgene Quanticel Research, Inc.

US Patent


Assay Description
Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BRD4 was cloned, expr...


US Patent US10023592 (2018)

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


(Homo sapiens (Human))
BDBM285183
PNG
(6-methyl-2-(1-methylpyrazol-4-yl)-8-(5- methylsulf...)
Show SMILES CCCOc1ccc(cc1-c1cn(C)c(=O)c2cnc(nc12)-c1cnn(C)c1)S(C)(=O)=O
Show InChI InChI=1S/C22H23N5O4S/c1-5-8-31-19-7-6-15(32(4,29)30)9-16(19)18-13-26(2)22(28)17-11-23-21(25-20(17)18)14-10-24-27(3)12-14/h6-7,9-13H,5,8H2,1-4H3
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Celgene Quanticel Research, Inc.

US Patent


Assay Description
Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BRD4 was cloned, expr...


US Patent US10023592 (2018)

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


(Homo sapiens (Human))
BDBM285191
PNG
(N-[4-(2,4-difluorophenoxy)-3-(7-methyl-8- oxo-[1,2...)
Show SMILES CCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(c1)-c1cn(C)c(=O)c2nncn12
Show InChI InChI=1S/C20H17F2N5O4S/c1-3-32(29,30)25-13-5-7-17(31-18-6-4-12(21)8-15(18)22)14(9-13)16-10-26(2)20(28)19-24-23-11-27(16)19/h4-11,25H,3H2,1-2H3
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Celgene Quanticel Research, Inc.

US Patent


Assay Description
Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BRD4 was cloned, expr...


US Patent US10023592 (2018)

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


(Homo sapiens (Human))
BDBM285202
PNG
(N-[3-[1-(cyclopropylmethyl)-5-methyl-6- oxopyridin...)
Show SMILES CCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(c1)-c1cc(C)c(=O)n(CC2CC2)c1
Show InChI InChI=1S/C24H24F2N2O4S/c1-3-33(30,31)27-19-7-9-22(32-23-8-6-18(25)11-21(23)26)20(12-19)17-10-15(2)24(29)28(14-17)13-16-4-5-16/h6-12,14,16,27H,3-5,13H2,1-2H3
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Celgene Quanticel Research, Inc.

US Patent


Assay Description
Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BRD4 was cloned, expr...


US Patent US10023592 (2018)

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


(Homo sapiens (Human))
BDBM285205
PNG
(1-(cyclopropylmethyl)-5-[4-(2,4-difluoro- phenoxy)...)
Show SMILES Cc1cc(cn(CC2CC2)c1=O)-c1cn(CS(C)(=O)=O)c(=O)cc1Oc1ccc(F)cc1F
Show InChI InChI=1S/C23H22F2N2O5S/c1-14-7-16(11-26(23(14)29)10-15-3-4-15)18-12-27(13-33(2,30)31)22(28)9-21(18)32-20-6-5-17(24)8-19(20)25/h5-9,11-12,15H,3-4,10,13H2,1-2H3
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Celgene Quanticel Research, Inc.

US Patent


Assay Description
Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BRD4 was cloned, expr...


US Patent US10023592 (2018)

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


(Homo sapiens (Human))
BDBM285220
PNG
(4-[2-(cyclopropylmethoxy)-5- ethylsulfonylphenyl]-...)
Show SMILES CCS(=O)(=O)c1ccc(OCC2CC2)c(c1)-c1cn(C)c(=O)c2sc(cc12)C(N)=O
Show InChI InChI=1S/C21H22N2O5S2/c1-3-30(26,27)13-6-7-17(28-11-12-4-5-12)14(8-13)16-10-23(2)21(25)19-15(16)9-18(29-19)20(22)24/h6-10,12H,3-5,11H2,1-2H3,(H2,22,24)
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Celgene Quanticel Research, Inc.

US Patent


Assay Description
Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BRD4 was cloned, expr...


US Patent US10023592 (2018)

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


(Homo sapiens (Human))
BDBM285252
PNG
(N-[4-(1-butyl-5-methyl-6-oxopyridin-3-yl)-5- (2,4-...)
Show SMILES CCCCn1cc(cc(C)c1=O)-c1nc(NS(=O)(=O)CC)ncc1Oc1ccc(F)cc1F
Show InChI InChI=1S/C22H24F2N4O4S/c1-4-6-9-28-13-15(10-14(3)21(28)29)20-19(32-18-8-7-16(23)11-17(18)24)12-25-22(26-20)27-33(30,31)5-2/h7-8,10-13H,4-6,9H2,1-3H3,(H,25,26,27)
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n/an/a<500n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


Assay Description
Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BRD4 was cloned, expr...


US Patent US10023592 (2018)

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


(Homo sapiens (Human))
BDBM285255
PNG
(N-[5-ethyl-4-(2-methyl-1-oxoisoquinolin-4-yl) pyri...)
Show SMILES CCc1cnc(NS(=O)(=O)CC)nc1-c1cn(C)c(=O)c2ccccc12
Show InChI InChI=1S/C18H20N4O3S/c1-4-12-10-19-18(21-26(24,25)5-2)20-16(12)15-11-22(3)17(23)14-9-7-6-8-13(14)15/h6-11H,4-5H2,1-3H3,(H,19,20,21)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
UniChem
n/an/a<500n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


Assay Description
Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BRD4 was cloned, expr...


US Patent US10023592 (2018)

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


(Homo sapiens (Human))
BDBM285269
PNG
(5-(2-butyl-5-methylsulfonylphenyl)-1- methylpyridi...)
Show SMILES CCCCc1ccc(cc1-c1ccc(=O)n(C)c1)S(C)(=O)=O
Show InChI InChI=1S/C17H21NO3S/c1-4-5-6-13-7-9-15(22(3,20)21)11-16(13)14-8-10-17(19)18(2)12-14/h7-12H,4-6H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
UniChem
n/an/a<500n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


Assay Description
Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BRD4 was cloned, expr...


US Patent US10023592 (2018)

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


(Homo sapiens (Human))
BDBM285270
PNG
(4-(2-butyl-5-methylsulfonylphenyl)-2- methylisoqui...)
Show SMILES CCCCc1ccc(cc1-c1cn(C)c(=O)c2ccccc12)S(C)(=O)=O
Show InChI InChI=1S/C21H23NO3S/c1-4-5-8-15-11-12-16(26(3,24)25)13-19(15)20-14-22(2)21(23)18-10-7-6-9-17(18)20/h6-7,9-14H,4-5,8H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
UniChem
n/an/a<500n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


Assay Description
Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BRD4 was cloned, expr...


US Patent US10023592 (2018)

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


(Homo sapiens (Human))
BDBM285273
PNG
(4-[2-(cyclopropylmethoxy)-5- methylsulfonylpyridin...)
Show SMILES Cn1cc(-c2cc(cnc2OCC2CC2)S(C)(=O)=O)c2ccccc2c1=O
Show InChI InChI=1S/C20H20N2O4S/c1-22-11-18(15-5-3-4-6-16(15)20(22)23)17-9-14(27(2,24)25)10-21-19(17)26-12-13-7-8-13/h3-6,9-11,13H,7-8,12H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
UniChem
n/an/a<500n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


Assay Description
Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BRD4 was cloned, expr...


US Patent US10023592 (2018)

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