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Compile Data Set for Download or QSAR

Found 880 hits of ph data with Target = 'Bromodomain-containing protein 4'   
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))
BDBM284956
PNG
(4-(3-methoxyphenyl)-2-methylisoquinolin-1-one | US...)
Show SMILES Cc1ccccc1-c1cn(C)c(=O)c2ccccc12
Show InChI InChI=1S/C17H15NO/c1-12-7-3-4-8-13(12)16-11-18(2)17(19)15-10-6-5-9-14(15)16/h3-11H,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/a 2.75E+3n/an/an/an/a7.3n/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))
BDBM284957
PNG
(4-(3-methoxyphenyl)-2- methylisoquinolin-1-one | U...)
Show SMILES COc1cccc(c1)-c1cn(C)c(=O)c2ccccc12
Show InChI InChI=1S/C17H15NO2/c1-18-11-16(12-6-5-7-13(10-12)20-2)14-8-3-4-9-15(14)17(18)19/h3-11H,1-2H3
PDB

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UniProtKB/SwissProt

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PC sid
UniChem
US Patent
n/an/a 2.75E+3n/an/an/an/a7.3n/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))
BDBM284958
PNG
(4-(2-fluorophenyl)-2- methylisoquinolin-1-one | US...)
Show SMILES Cn1cc(-c2ccccc2F)c2ccccc2c1=O
Show InChI InChI=1S/C16H12FNO/c1-18-10-14(12-7-4-5-9-15(12)17)11-6-2-3-8-13(11)16(18)19/h2-10H,1H3
PDB

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UniProtKB/SwissProt

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UniChem
US Patent
n/an/a>5.00E+3n/an/an/an/a7.3n/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))
BDBM284959
PNG
(4-(2-methoxyphenyl)-2- methylisoquinolin-1-one | U...)
Show SMILES COc1ccccc1-c1cn(C)c(=O)c2ccccc12
Show InChI InChI=1S/C17H15NO2/c1-18-11-15(13-8-5-6-10-16(13)20-2)12-7-3-4-9-14(12)17(18)19/h3-11H,1-2H3
PDB

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UniProtKB/SwissProt

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PC sid
UniChem
US Patent
n/an/a>5.00E+3n/an/an/an/a7.3n/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))
BDBM284960
PNG
(4-(3-aminophenyl)-2- methylisoquinolin-1-one | US1...)
Show SMILES Cn1cc(-c2cccc(N)c2)c2ccccc2c1=O
Show InChI InChI=1S/C16H14N2O/c1-18-10-15(11-5-4-6-12(17)9-11)13-7-2-3-8-14(13)16(18)19/h2-10H,17H2,1H3
PDB

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n/an/a 2.75E+3n/an/an/an/a7.3n/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))
BDBM284961
PNG
(N-cyclopropyl-3-(2-methyl-1-oxoiso- quinolin-4-yl)...)
Show SMILES Cn1cc(-c2cccc(c2)S(=O)(=O)NC2CC2)c2ccccc2c1=O
Show InChI InChI=1S/C19H18N2O3S/c1-21-12-18(16-7-2-3-8-17(16)19(21)22)13-5-4-6-15(11-13)25(23,24)20-14-9-10-14/h2-8,11-12,14,20H,9-10H2,1H3
PDB

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UniChem
US Patent
n/an/a 2.75E+3n/an/an/an/a7.3n/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))
BDBM284962
PNG
(2-methyl-4-(3-pyrrolidin-1-ylsulfonylphenyl) isoqu...)
Show SMILES Cn1cc(-c2cccc(c2)S(=O)(=O)N2CCCC2)c2ccccc2c1=O
Show InChI InChI=1S/C20H20N2O3S/c1-21-14-19(17-9-2-3-10-18(17)20(21)23)15-7-6-8-16(13-15)26(24,25)22-11-4-5-12-22/h2-3,6-10,13-14H,4-5,11-12H2,1H3
PDB

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US Patent
n/an/a 2.75E+3n/an/an/an/a7.3n/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))
BDBM284963
PNG
(N-[[3-(2-methyl-1-oxoisoquinolin-4-yl) phenyl]meth...)
Show SMILES Cn1cc(-c2cccc(CNS(C)(=O)=O)c2)c2ccccc2c1=O
Show InChI InChI=1S/C18H18N2O3S/c1-20-12-17(15-8-3-4-9-16(15)18(20)21)14-7-5-6-13(10-14)11-19-24(2,22)23/h3-10,12,19H,11H2,1-2H3
PDB

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US Patent
n/an/a 2.75E+3n/an/an/an/a7.3n/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))
BDBM284964
PNG
(N-[3-(2-methyl-1-oxoisoquinolin-4-yl) phenyl]metha...)
Show SMILES Cn1cc(-c2cccc(NS(C)(=O)=O)c2)c2ccccc2c1=O
Show InChI InChI=1S/C17H16N2O3S/c1-19-11-16(14-8-3-4-9-15(14)17(19)20)12-6-5-7-13(10-12)18-23(2,21)22/h3-11,18H,1-2H3
PDB

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n/an/a<500n/an/an/an/a7.3n/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))
BDBM284965
PNG
(N-ethyl-3-(2-methyl-1-oxo-isoquinolin-4-yl) benzen...)
Show SMILES CCNS(=O)(=O)c1cccc(c1)-c1cn(C)c(=O)c2ccccc12
Show InChI InChI=1S/C18H18N2O3S/c1-3-19-24(22,23)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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US Patent
n/an/a 2.75E+3n/an/an/an/a7.3n/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))
BDBM284966
PNG
(4-(3-ethylsulfonylphenyl)-2- methylisoquinolin-1-o...)
Show SMILES CCS(=O)(=O)c1cccc(c1)-c1cn(C)c(=O)c2ccccc12
Show InChI InChI=1S/C18H17NO3S/c1-3-23(21,22)14-8-6-7-13(11-14)17-12-19(2)18(20)16-10-5-4-9-15(16)17/h4-12H,3H2,1-2H3
PDB

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UniProtKB/SwissProt

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UniChem
US Patent
n/an/a 2.75E+3n/an/an/an/a7.3n/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))
BDBM284967
PNG
(4-[3-(dimethylsulfamoylamino)phenyl]- 2-methyl-1-o...)
Show SMILES CN(C)S(=O)(=O)Nc1cccc(c1)-c1cn(C)c(=O)c2ccccc12
Show InChI InChI=1S/C18H19N3O3S/c1-20(2)25(23,24)19-14-8-6-7-13(11-14)17-12-21(3)18(22)16-10-5-4-9-15(16)17/h4-12,19H,1-3H3
PDB

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UniProtKB/SwissProt

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PC sid
UniChem
US Patent
n/an/a<500n/an/an/an/a7.3n/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))
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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US Patent
n/an/a<500n/an/an/an/a7.3n/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))
BDBM284969
PNG
(2-methyl-4-(3-morpholin-4-yl- sulfonylphenyl)isoqu...)
Show SMILES Cn1cc(-c2cccc(c2)S(=O)(=O)N2CCOCC2)c2ccccc2c1=O
Show InChI InChI=1S/C20H20N2O4S/c1-21-14-19(17-7-2-3-8-18(17)20(21)23)15-5-4-6-16(13-15)27(24,25)22-9-11-26-12-10-22/h2-8,13-14H,9-12H2,1H3
PDB

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UniChem
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n/an/a 2.75E+3n/an/an/an/a7.3n/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))
BDBM284970
PNG
(N-benzyl-2-methoxy-5-(2-methyl-1- oxoisoquinolin-4...)
Show SMILES COc1ccc(cc1S(=O)(=O)NCc1ccccc1)-c1cn(C)c(=O)c2ccccc12
Show InChI InChI=1S/C24H22N2O4S/c1-26-16-21(19-10-6-7-11-20(19)24(26)27)18-12-13-22(30-2)23(14-18)31(28,29)25-15-17-8-4-3-5-9-17/h3-14,16,25H,15H2,1-2H3
PDB

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UniChem
US Patent
n/an/a 2.75E+3n/an/an/an/a7.3n/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))
BDBM284971
PNG
(2-methoxy-5-(2-methyl-1-oxoisoquinolin-4-yl) benze...)
Show SMILES COc1ccc(cc1S(N)(=O)=O)-c1cn(C)c(=O)c2ccccc12
Show InChI InChI=1S/C17H16N2O4S/c1-19-10-14(12-5-3-4-6-13(12)17(19)20)11-7-8-15(23-2)16(9-11)24(18,21)22/h3-10H,1-2H3,(H2,18,21,22)
PDB

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n/an/a 2.75E+3n/an/an/an/a7.3n/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))
BDBM284972
PNG
(N-[2-methyl-5-(2-methyl-1-oxoiso- quinolin-4-yl)ph...)
Show SMILES Cc1ccc(cc1NS(C)(=O)=O)-c1cn(C)c(=O)c2ccccc12
Show InChI InChI=1S/C18H18N2O3S/c1-12-8-9-13(10-17(12)19-24(3,22)23)16-11-20(2)18(21)15-7-5-4-6-14(15)16/h4-11,19H,1-3H3
PDB

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US Patent
n/an/a<500n/an/an/an/a7.3n/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))
BDBM284973
PNG
(N-benzyl-2-methoxy-5-(2-methyl-1- oxoisoquinolin-4...)
Show SMILES COc1ccc(cc1C(=O)NCc1ccccc1)-c1cn(C)c(=O)c2ccccc12
Show InChI InChI=1S/C25H22N2O3/c1-27-16-22(19-10-6-7-11-20(19)25(27)29)18-12-13-23(30-2)21(14-18)24(28)26-15-17-8-4-3-5-9-17/h3-14,16H,15H2,1-2H3,(H,26,28)
PDB

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n/an/a 2.75E+3n/an/an/an/a7.3n/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))
BDBM284974
PNG
(4-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2- methylis...)
Show SMILES Cn1cc(-c2ccc3OCCNc3c2)c2ccccc2c1=O
Show InChI InChI=1S/C18H16N2O2/c1-20-11-15(13-4-2-3-5-14(13)18(20)21)12-6-7-17-16(10-12)19-8-9-22-17/h2-7,10-11,19H,8-9H2,1H3
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))
BDBM284975
PNG
(2-methyl-4-(2-oxo-1,3-dihydroindo1-6- yl)isoquinol...)
Show SMILES Cn1cc(-c2ccc3CC(=O)Nc3c2)c2ccccc2c1=O
Show InChI InChI=1S/C18H14N2O2/c1-20-10-15(13-4-2-3-5-14(13)18(20)22)11-6-7-12-9-17(21)19-16(12)8-11/h2-8,10H,9H2,1H3,(H,19,21)
PDB

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n/an/a>5.00E+3n/an/an/an/a7.3n/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))
BDBM284976
PNG
(3-(2-methyl-1-oxoisoquinolin-4- yl)benzenesulfonam...)
Show SMILES Cn1cc(-c2cccc(c2)S(N)(=O)=O)c2ccccc2c1=O
Show InChI InChI=1S/C16H14N2O3S/c1-18-10-15(13-7-2-3-8-14(13)16(18)19)11-5-4-6-12(9-11)22(17,20)21/h2-10H,1H3,(H2,17,20,21)
PDB

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n/an/a 2.75E+3n/an/an/an/a7.3n/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))
BDBM284977
PNG
(N-(2-hydroxyethyl)-3-(2-methyl-1- oxoisoquinolin-4...)
Show SMILES Cn1cc(-c2cccc(c2)S(=O)(=O)NCCO)c2ccccc2c1=O
Show InChI InChI=1S/C18H18N2O4S/c1-20-12-17(15-7-2-3-8-16(15)18(20)22)13-5-4-6-14(11-13)25(23,24)19-9-10-21/h2-8,11-12,19,21H,9-10H2,1H3
PDB

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n/an/a 2.75E+3n/an/an/an/a7.3n/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))
BDBM284978
PNG
(4-(5-amino-2-fluorophenyl)-2- methylisoquinolin-1-...)
Show SMILES Cn1cc(-c2cc(N)ccc2F)c2ccccc2c1=O
Show InChI InChI=1S/C16H13FN2O/c1-19-9-14(13-8-10(18)6-7-15(13)17)11-4-2-3-5-12(11)16(19)20/h2-9H,18H2,1H3
PDB

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n/an/a 2.75E+3n/an/an/an/a7.3n/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))
BDBM284979
PNG
(4-(5-amino-2,4-difluorophenyl)-2- methylisoquinoli...)
Show SMILES Cn1cc(-c2cc(N)c(F)cc2F)c2ccccc2c1=O
Show InChI InChI=1S/C16H12F2N2O/c1-20-8-12(9-4-2-3-5-10(9)16(20)21)11-6-15(19)14(18)7-13(11)17/h2-8H,19H2,1H3
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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))
BDBM284980
PNG
(4-(3-amino-5-fluorophenyl)-2- methylisoquinolin-1-...)
Show SMILES Cn1cc(-c2cc(N)cc(F)c2)c2ccccc2c1=O
Show InChI InChI=1S/C16H13FN2O/c1-19-9-15(10-6-11(17)8-12(18)7-10)13-4-2-3-5-14(13)16(19)20/h2-9H,18H2,1H3
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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))
BDBM284981
PNG
(4-(3-amino-4-fluorophenyl)-2- methylisoquinolin-1-...)
Show SMILES Cn1cc(-c2ccc(F)c(N)c2)c2ccccc2c1=O
Show InChI InChI=1S/C16H13FN2O/c1-19-9-13(10-6-7-14(17)15(18)8-10)11-4-2-3-5-12(11)16(19)20/h2-9H,18H2,1H3
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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))
BDBM284982
PNG
(N-benzyl-3-(2-methyl-1-oxoisoquinolin-4-yl) benzen...)
Show SMILES Cn1cc(-c2cccc(c2)S(=O)(=O)NCc2ccccc2)c2ccccc2c1=O
Show InChI InChI=1S/C23H20N2O3S/c1-25-16-22(20-12-5-6-13-21(20)23(25)26)18-10-7-11-19(14-18)29(27,28)24-15-17-8-3-2-4-9-17/h2-14,16,24H,15H2,1H3
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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))
BDBM284984
PNG
(N-[3-(2-methyl-1-oxoisoquinolin-4-yl) phenyl]butan...)
Show SMILES CCCCS(=O)(=O)Nc1cccc(c1)-c1cn(C)c(=O)c2ccccc12
Show InChI InChI=1S/C20H22N2O3S/c1-3-4-12-26(24,25)21-16-9-7-8-15(13-16)19-14-22(2)20(23)18-11-6-5-10-17(18)19/h5-11,13-14,21H,3-4,12H2,1-2H3
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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))
BDBM284985
PNG
(N-[2-methoxy-5-(2-methyl-1-oxoiso- quinolin-4-yl)p...)
Show SMILES COc1ccc(cc1NS(C)(=O)=O)-c1cn(C)c(=O)c2ccccc12
Show InChI InChI=1S/C18H18N2O4S/c1-20-11-15(13-6-4-5-7-14(13)18(20)21)12-8-9-17(24-2)16(10-12)19-25(3,22)23/h4-11,19H,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))
BDBM284986
PNG
(US10023592, Example 31 | tert-butyl N-methyl-N-[3-...)
Show SMILES CN(C(=O)OC(C)(C)C)c1cccc(c1)-c1cn(C)c(=O)c2ccccc12
Show InChI InChI=1S/C22H24N2O3/c1-22(2,3)27-21(26)24(5)16-10-8-9-15(13-16)19-14-23(4)20(25)18-12-7-6-11-17(18)19/h6-14H,1-5H3
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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))
BDBM284987
PNG
(2-methyl-4-[3-(methylamino)phenyl] isoquinolin-1-o...)
Show SMILES CNc1cccc(c1)-c1cn(C)c(=O)c2ccccc12
Show InChI InChI=1S/C17H16N2O/c1-18-13-7-5-6-12(10-13)16-11-19(2)17(20)15-9-4-3-8-14(15)16/h3-11,18H,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))
BDBM284988
PNG
(N-methyl-N-[3-(2-methyl-1-oxoiso- quinolin-4-yl)ph...)
Show SMILES CN(c1cccc(c1)-c1cn(C)c(=O)c2ccccc12)S(C)(=O)=O
Show InChI InChI=1S/C18H18N2O3S/c1-19-12-17(15-9-4-5-10-16(15)18(19)21)13-7-6-8-14(11-13)20(2)24(3,22)23/h4-12H,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))
BDBM284989
PNG
(N-[4-fluoro-3-(2-methyl-1-oxoisoquinolin-4-yl) phe...)
Show SMILES Cn1cc(-c2cc(NS(C)(=O)=O)ccc2F)c2ccccc2c1=O
Show InChI InChI=1S/C17H15FN2O3S/c1-20-10-15(12-5-3-4-6-13(12)17(20)21)14-9-11(7-8-16(14)18)19-24(2,22)23/h3-10,19H,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))
BDBM284990
PNG
(N-[2,4-difluoro-5-(2-methyl-1-oxoisoquinolin- 4-yl...)
Show SMILES Cn1cc(-c2cc(NS(C)(=O)=O)c(F)cc2F)c2ccccc2c1=O
Show InChI InChI=1S/C17H14F2N2O3S/c1-21-9-13(10-5-3-4-6-11(10)17(21)22)12-7-16(20-25(2,23)24)15(19)8-14(12)18/h3-9,20H,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))
BDBM284991
PNG
(N-[3-fluoro-5-(2-methyl-1-oxoisoquinolin-4-yl) phe...)
Show SMILES Cn1cc(-c2cc(F)cc(NS(C)(=O)=O)c2)c2ccccc2c1=O
Show InChI InChI=1S/C17H15FN2O3S/c1-20-10-16(14-5-3-4-6-15(14)17(20)21)11-7-12(18)9-13(8-11)19-24(2,22)23/h3-10,19H,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))
BDBM284992
PNG
(N-[2-fluoro-5-(2-methyl-1-oxoisoquinolin-4-yl) phe...)
Show SMILES Cn1cc(-c2ccc(F)c(NS(C)(=O)=O)c2)c2ccccc2c1=O
Show InChI InChI=1S/C17H15FN2O3S/c1-20-10-14(12-5-3-4-6-13(12)17(20)21)11-7-8-15(18)16(9-11)19-24(2,22)23/h3-10,19H,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))
BDBM284993
PNG
(N-[4-chloro-3-(2-methyl-1-oxoisoquinolin- 4-yl)phe...)
Show SMILES Cn1cc(-c2cc(NS(C)(=O)=O)ccc2Cl)c2ccccc2c1=O
Show InChI InChI=1S/C17H15ClN2O3S/c1-20-10-15(12-5-3-4-6-13(12)17(20)21)14-9-11(7-8-16(14)18)19-24(2,22)23/h3-10,19H,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))
BDBM284994
PNG
(N-[4-methyl-3-(2-methyl-1-oxoisoquinolin- 4-yl)phe...)
Show SMILES Cc1ccc(NS(C)(=O)=O)cc1-c1cn(C)c(=O)c2ccccc12
Show InChI InChI=1S/C18H18N2O3S/c1-12-8-9-13(19-24(3,22)23)10-16(12)17-11-20(2)18(21)15-7-5-4-6-14(15)17/h4-11,19H,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))
BDBM284995
PNG
(N-[3-(2-methyl-1-oxoisoquinolin-4-yl)-5- (trifluor...)
Show SMILES Cn1cc(-c2cc(NS(C)(=O)=O)cc(c2)C(F)(F)F)c2ccccc2c1=O
Show InChI InChI=1S/C18H15F3N2O3S/c1-23-10-16(14-5-3-4-6-15(14)17(23)24)11-7-12(18(19,20)21)9-13(8-11)22-27(2,25)26/h3-10,22H,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))
BDBM284996
PNG
(N-[4-fluoro-3-[2-methyl-6-(1-methylpyrazol-4- yl)-...)
Show SMILES Cn1cc(cn1)-c1ccc2c(c1)c(cn(C)c2=O)-c1cc(NS(C)(=O)=O)ccc1F
Show InChI InChI=1S/C21H19FN4O3S/c1-25-12-19(18-9-15(5-7-20(18)22)24-30(3,28)29)17-8-13(4-6-16(17)21(25)27)14-10-23-26(2)11-14/h4-12,24H,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))
BDBM284997
PNG
(N-[3-[2-methyl-6-(1-methylpyrazol-4-yl)-1- oxoisoq...)
Show SMILES Cn1cc(cn1)-c1ccc2c(c1)c(cn(C)c2=O)-c1cccc(NS(C)(=O)=O)c1
Show InChI InChI=1S/C21H20N4O3S/c1-24-13-20(15-5-4-6-17(9-15)23-29(3,27)28)19-10-14(7-8-18(19)21(24)26)16-11-22-25(2)12-16/h4-13,23H,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))
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))
BDBM284999
PNG
(4-(3-ethylsulfonylphenyl)-2-methyl-6-(1- methylpyr...)
Show SMILES CCS(=O)(=O)c1cccc(c1)-c1cn(C)c(=O)c2ccc(cc12)-c1cnn(C)c1
Show InChI InChI=1S/C22H21N3O3S/c1-4-29(27,28)18-7-5-6-16(10-18)21-14-24(2)22(26)19-9-8-15(11-20(19)21)17-12-23-25(3)13-17/h5-14H,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))
BDBM285000
PNG
(N-[4-chloro-3-[2-methyl-6-(1-methylpyrazol- 4-yl)-...)
Show SMILES CCS(=O)(=O)Nc1ccc(Cl)c(c1)-c1cn(C)c(=O)c2ccc(cc12)-c1cnn(C)c1
Show InChI InChI=1S/C22H21ClN4O3S/c1-4-31(29,30)25-16-6-8-21(23)19(10-16)20-13-26(2)22(28)17-7-5-14(9-18(17)20)15-11-24-27(3)12-15/h5-13,25H,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))
BDBM285001
PNG
(4-[2-(cyclopropylmethoxy)-5- methylsulfonylphenyl]...)
Show SMILES Cn1cc(cn1)-c1ccc2c(c1)c(cn(C)c2=O)-c1cc(ccc1OCC1CC1)S(C)(=O)=O
Show InChI InChI=1S/C25H25N3O4S/c1-27-14-23(21-10-17(6-8-20(21)25(27)29)18-12-26-28(2)13-18)22-11-19(33(3,30)31)7-9-24(22)32-15-16-4-5-16/h6-14,16H,4-5,15H2,1-3H3
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UniChem
US Patent
n/an/a<500n/an/an/an/a7.3n/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))
BDBM285002
PNG
(N-[3-(6-fluoro-2-methyl-1-oxoisoquinolin-4-yl) phe...)
Show SMILES Cn1cc(-c2cccc(NS(C)(=O)=O)c2)c2cc(F)ccc2c1=O
Show InChI InChI=1S/C17H15FN2O3S/c1-20-10-16(15-9-12(18)6-7-14(15)17(20)21)11-4-3-5-13(8-11)19-24(2,22)23/h3-10,19H,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<500n/an/an/an/a7.3n/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))
BDBM285003
PNG
(3-(6-fluoro-2-methyl-1-oxoisoquinolin-4-yl) benzen...)
Show SMILES Cn1cc(-c2cccc(c2)S(N)(O)O)c2cc(F)ccc2c1=O
Show InChI InChI=1S/C16H15FN2O3S/c1-19-9-15(10-3-2-4-12(7-10)23(18,21)22)14-8-11(17)5-6-13(14)16(19)20/h2-9,21-22H,18H2,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.75E+3n/an/an/an/a7.3n/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))
BDBM285004
PNG
(N-ethyl-3-(6-fluoro-2-methyl-1- oxoisoquinolin-4-y...)
Show SMILES CCNS(O)(O)c1cccc(c1)-c1cn(C)c(=O)c2ccc(F)cc12
Show InChI InChI=1S/C18H19FN2O3S/c1-3-20-25(23,24)14-6-4-5-12(9-14)17-11-21(2)18(22)15-8-7-13(19)10-16(15)17/h4-11,20,23-24H,3H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.75E+3n/an/an/an/a7.3n/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))
BDBM285005
PNG
(N-[4-chloro-3-(6-fluoro-2-methyl-1- oxoisoquinolin...)
Show SMILES CCS(=O)(=O)Nc1ccc(Cl)c(c1)-c1cn(C)c(=O)c2ccc(F)cc12
Show InChI InChI=1S/C18H16ClFN2O3S/c1-3-26(24,25)21-12-5-7-17(19)15(9-12)16-10-22(2)18(23)13-6-4-11(20)8-14(13)16/h4-10,21H,3H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<500n/an/an/an/a7.3n/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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