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Compile Data Set for Download or QSAR

Found 94 hits Enz. Inhib. hit(s) with all data for entry = 50009815   
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
Transcription initiation factor TFIID subunit 1


(Homo sapiens (Human))
BDBM321448
PNG
(3-(6-but-3-enyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-y...)
Show SMILES CN(C)C(=O)c1cccc(c1)-c1cn(CCC=C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C20H21N3O2/c1-4-5-11-23-13-17(16-9-10-21-18(16)20(23)25)14-7-6-8-15(12-14)19(24)22(2)3/h4,6-10,12-13,21H,1,5,11H2,2-3H3
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n/an/a 46n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged TAF1 isoform-2 (unknown origin) using biotinylated ligand incubated for 10 mins by TR-FRET assay


J Med Chem 59: 5391-402 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00264
BindingDB Entry DOI: 10.7270/Q2VQ3641
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Transcription initiation factor TFIID subunit 1


(Homo sapiens (Human))
BDBM321448
PNG
(3-(6-but-3-enyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-y...)
Show SMILES CN(C)C(=O)c1cccc(c1)-c1cn(CCC=C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C20H21N3O2/c1-4-5-11-23-13-17(16-9-10-21-18(16)20(23)25)14-7-6-8-15(12-14)19(24)22(2)3/h4,6-10,12-13,21H,1,5,11H2,2-3H3
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n/an/a 46n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged TAF1 isoform-2 (unknown origin) using biotinylated ligand incubated for 10 mins by TR-FRET assay


J Med Chem 59: 5391-402 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00264
BindingDB Entry DOI: 10.7270/Q2VQ3641
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Transcription initiation factor TFIID subunit 1


(Homo sapiens (Human))
BDBM310898
PNG
(N,N-dimethyl-3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]py...)
Show SMILES CN(C)C(=O)c1cccc(c1)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C17H17N3O2/c1-19(2)16(21)12-6-4-5-11(9-12)14-10-20(3)17(22)15-13(14)7-8-18-15/h4-10,18H,1-3H3
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n/an/a 59n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged TAF1 isoform-2 (unknown origin) using biotinylated ligand incubated for 10 mins by TR-FRET assay


J Med Chem 59: 5391-402 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00264
BindingDB Entry DOI: 10.7270/Q2VQ3641
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Transcription initiation factor TFIID subunit 1


(Homo sapiens (Human))
BDBM310898
PNG
(N,N-dimethyl-3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]py...)
Show SMILES CN(C)C(=O)c1cccc(c1)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C17H17N3O2/c1-19(2)16(21)12-6-4-5-11(9-12)14-10-20(3)17(22)15-13(14)7-8-18-15/h4-10,18H,1-3H3
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Genentech

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged TAF1 isoform-2 (unknown origin) using biotinylated ligand incubated for 10 mins by TR-FRET assay


J Med Chem 59: 5391-402 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00264
BindingDB Entry DOI: 10.7270/Q2VQ3641
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM310898
PNG
(N,N-dimethyl-3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]py...)
Show SMILES CN(C)C(=O)c1cccc(c1)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C17H17N3O2/c1-19(2)16(21)12-6-4-5-11(9-12)14-10-20(3)17(22)15-13(14)7-8-18-15/h4-10,18H,1-3H3
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Genentech

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged BRD4 bromodomain2 (unknown origin) using biotinylated ligand incubated for 10 mins by TR-FRET assay


J Med Chem 59: 5391-402 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00264
BindingDB Entry DOI: 10.7270/Q2VQ3641
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM310898
PNG
(N,N-dimethyl-3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]py...)
Show SMILES CN(C)C(=O)c1cccc(c1)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C17H17N3O2/c1-19(2)16(21)12-6-4-5-11(9-12)14-10-20(3)17(22)15-13(14)7-8-18-15/h4-10,18H,1-3H3
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Genentech

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged BRD4 bromodomain2 (unknown origin) using biotinylated ligand incubated for 10 mins by TR-FRET assay


J Med Chem 59: 5391-402 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00264
BindingDB Entry DOI: 10.7270/Q2VQ3641
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM310898
PNG
(N,N-dimethyl-3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]py...)
Show SMILES CN(C)C(=O)c1cccc(c1)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C17H17N3O2/c1-19(2)16(21)12-6-4-5-11(9-12)14-10-20(3)17(22)15-13(14)7-8-18-15/h4-10,18H,1-3H3
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Genentech

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged BRD4 bromodomain1 (unknown origin) using biotinylated ligand incubated for 10 mins by TR-FRET assay


J Med Chem 59: 5391-402 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00264
BindingDB Entry DOI: 10.7270/Q2VQ3641
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM310898
PNG
(N,N-dimethyl-3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]py...)
Show SMILES CN(C)C(=O)c1cccc(c1)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C17H17N3O2/c1-19(2)16(21)12-6-4-5-11(9-12)14-10-20(3)17(22)15-13(14)7-8-18-15/h4-10,18H,1-3H3
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Genentech

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged BRD4 bromodomain1 (unknown origin) using biotinylated ligand incubated for 10 mins by TR-FRET assay


J Med Chem 59: 5391-402 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00264
BindingDB Entry DOI: 10.7270/Q2VQ3641
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 9


(Homo sapiens (Human))
BDBM50532326
PNG
(CHEMBL4519632)
Show SMILES C\C=C\Cn1cc(-c2cccc(c2)C(=O)N(C)C)c2cc[nH]c2c1=O
Show InChI InChI=1S/C20H21N3O2/c1-4-5-11-23-13-17(16-9-10-21-18(16)20(23)25)14-7-6-8-15(12-14)19(24)22(2)3/h4-10,12-13,21H,11H2,1-3H3/b5-4+
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Genentech

Curated by ChEMBL


Assay Description
Displacement of biotinylated JQ1 analog from recombinant His-tagged BRD9 (unknown origin) incubated for 10 mins by TR-FRET assay


J Med Chem 59: 5391-402 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00264
BindingDB Entry DOI: 10.7270/Q2VQ3641
More data for this
Ligand-Target Pair
Bromodomain-containing protein 9


(Homo sapiens (Human))
BDBM50532326
PNG
(CHEMBL4519632)
Show SMILES C\C=C\Cn1cc(-c2cccc(c2)C(=O)N(C)C)c2cc[nH]c2c1=O
Show InChI InChI=1S/C20H21N3O2/c1-4-5-11-23-13-17(16-9-10-21-18(16)20(23)25)14-7-6-8-15(12-14)19(24)22(2)3/h4-10,12-13,21H,11H2,1-3H3/b5-4+
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Genentech

Curated by ChEMBL


Assay Description
Displacement of biotinylated JQ1 analog from recombinant His-tagged BRD9 (unknown origin) incubated for 10 mins by TR-FRET assay


J Med Chem 59: 5391-402 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00264
BindingDB Entry DOI: 10.7270/Q2VQ3641
More data for this
Ligand-Target Pair
Chromatin remodeling regulator CECR2


(Homo sapiens (Human))
BDBM321443
PNG
(3-(6-allyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-N,...)
Show SMILES CN(C)C(=O)c1cccc(c1)-c1cn(CC=C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C19H19N3O2/c1-4-10-22-12-16(15-8-9-20-17(15)19(22)24)13-6-5-7-14(11-13)18(23)21(2)3/h4-9,11-12,20H,1,10H2,2-3H3
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Genentech

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged CECR2 (unknown origin) using biotinylated ligand incubated for 10 mins by TR-FRET assay


J Med Chem 59: 5391-402 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00264
BindingDB Entry DOI: 10.7270/Q2VQ3641
More data for this
Ligand-Target Pair
Chromatin remodeling regulator CECR2


(Homo sapiens (Human))
BDBM321443
PNG
(3-(6-allyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-N,...)
Show SMILES CN(C)C(=O)c1cccc(c1)-c1cn(CC=C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C19H19N3O2/c1-4-10-22-12-16(15-8-9-20-17(15)19(22)24)13-6-5-7-14(11-13)18(23)21(2)3/h4-9,11-12,20H,1,10H2,2-3H3
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Genentech

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged CECR2 (unknown origin) using biotinylated ligand incubated for 10 mins by TR-FRET assay


J Med Chem 59: 5391-402 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00264
BindingDB Entry DOI: 10.7270/Q2VQ3641
More data for this
Ligand-Target Pair
Bromodomain-containing protein 9


(Homo sapiens (Human))
BDBM310898
PNG
(N,N-dimethyl-3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]py...)
Show SMILES CN(C)C(=O)c1cccc(c1)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C17H17N3O2/c1-19(2)16(21)12-6-4-5-11(9-12)14-10-20(3)17(22)15-13(14)7-8-18-15/h4-10,18H,1-3H3
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Genentech

Curated by ChEMBL


Assay Description
Displacement of biotinylated JQ1 analog from recombinant His-tagged BRD9 (unknown origin) incubated for 10 mins by TR-FRET assay


J Med Chem 59: 5391-402 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00264
BindingDB Entry DOI: 10.7270/Q2VQ3641
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 9


(Homo sapiens (Human))
BDBM310898
PNG
(N,N-dimethyl-3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]py...)
Show SMILES CN(C)C(=O)c1cccc(c1)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C17H17N3O2/c1-19(2)16(21)12-6-4-5-11(9-12)14-10-20(3)17(22)15-13(14)7-8-18-15/h4-10,18H,1-3H3
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Genentech

Curated by ChEMBL


Assay Description
Displacement of biotinylated JQ1 analog from recombinant His-tagged BRD9 (unknown origin) incubated for 10 mins by TR-FRET assay


J Med Chem 59: 5391-402 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00264
BindingDB Entry DOI: 10.7270/Q2VQ3641
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Chromatin remodeling regulator CECR2


(Homo sapiens (Human))
BDBM310898
PNG
(N,N-dimethyl-3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]py...)
Show SMILES CN(C)C(=O)c1cccc(c1)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C17H17N3O2/c1-19(2)16(21)12-6-4-5-11(9-12)14-10-20(3)17(22)15-13(14)7-8-18-15/h4-10,18H,1-3H3
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Genentech

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged CECR2 (unknown origin) using biotinylated ligand incubated for 10 mins by TR-FRET assay


J Med Chem 59: 5391-402 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00264
BindingDB Entry DOI: 10.7270/Q2VQ3641
More data for this
Ligand-Target Pair
Chromatin remodeling regulator CECR2


(Homo sapiens (Human))
BDBM310898
PNG
(N,N-dimethyl-3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]py...)
Show SMILES CN(C)C(=O)c1cccc(c1)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C17H17N3O2/c1-19(2)16(21)12-6-4-5-11(9-12)14-10-20(3)17(22)15-13(14)7-8-18-15/h4-10,18H,1-3H3
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Genentech

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged CECR2 (unknown origin) using biotinylated ligand incubated for 10 mins by TR-FRET assay


J Med Chem 59: 5391-402 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00264
BindingDB Entry DOI: 10.7270/Q2VQ3641
More data for this
Ligand-Target Pair
Histone acetyltransferase p300


(Homo sapiens (Human))
BDBM310898
PNG
(N,N-dimethyl-3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]py...)
Show SMILES CN(C)C(=O)c1cccc(c1)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C17H17N3O2/c1-19(2)16(21)12-6-4-5-11(9-12)14-10-20(3)17(22)15-13(14)7-8-18-15/h4-10,18H,1-3H3
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Genentech

Curated by ChEMBL


Assay Description
Binding affinity to human partial length EP300 expressed in bacterial expression system by BROMOscan assay


J Med Chem 59: 5391-402 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00264
BindingDB Entry DOI: 10.7270/Q2VQ3641
More data for this
Ligand-Target Pair
Histone acetyltransferase p300


(Homo sapiens (Human))
BDBM310898
PNG
(N,N-dimethyl-3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]py...)
Show SMILES CN(C)C(=O)c1cccc(c1)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C17H17N3O2/c1-19(2)16(21)12-6-4-5-11(9-12)14-10-20(3)17(22)15-13(14)7-8-18-15/h4-10,18H,1-3H3
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Genentech

Curated by ChEMBL


Assay Description
Binding affinity to human partial length EP300 expressed in bacterial expression system by BROMOscan assay


J Med Chem 59: 5391-402 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00264
BindingDB Entry DOI: 10.7270/Q2VQ3641
More data for this
Ligand-Target Pair
Bromodomain-containing protein 9


(Homo sapiens (Human))
BDBM321443
PNG
(3-(6-allyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-N,...)
Show SMILES CN(C)C(=O)c1cccc(c1)-c1cn(CC=C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C19H19N3O2/c1-4-10-22-12-16(15-8-9-20-17(15)19(22)24)13-6-5-7-14(11-13)18(23)21(2)3/h4-9,11-12,20H,1,10H2,2-3H3
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Genentech

Curated by ChEMBL


Assay Description
Displacement of biotinylated JQ1 analog from recombinant His-tagged BRD9 (unknown origin) incubated for 10 mins by TR-FRET assay


J Med Chem 59: 5391-402 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00264
BindingDB Entry DOI: 10.7270/Q2VQ3641
More data for this
Ligand-Target Pair
Bromodomain-containing protein 9


(Homo sapiens (Human))
BDBM321443
PNG
(3-(6-allyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-N,...)
Show SMILES CN(C)C(=O)c1cccc(c1)-c1cn(CC=C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C19H19N3O2/c1-4-10-22-12-16(15-8-9-20-17(15)19(22)24)13-6-5-7-14(11-13)18(23)21(2)3/h4-9,11-12,20H,1,10H2,2-3H3
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Genentech

Curated by ChEMBL


Assay Description
Displacement of biotinylated JQ1 analog from recombinant His-tagged BRD9 (unknown origin) incubated for 10 mins by TR-FRET assay


J Med Chem 59: 5391-402 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00264
BindingDB Entry DOI: 10.7270/Q2VQ3641
More data for this
Ligand-Target Pair
Transcription initiation factor TFIID subunit 1


(Homo sapiens (Human))
BDBM50532326
PNG
(CHEMBL4519632)
Show SMILES C\C=C\Cn1cc(-c2cccc(c2)C(=O)N(C)C)c2cc[nH]c2c1=O
Show InChI InChI=1S/C20H21N3O2/c1-4-5-11-23-13-17(16-9-10-21-18(16)20(23)25)14-7-6-8-15(12-14)19(24)22(2)3/h4-10,12-13,21H,11H2,1-3H3/b5-4+
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Genentech

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged TAF1 isoform-2 (unknown origin) using biotinylated ligand incubated for 10 mins by TR-FRET assay


J Med Chem 59: 5391-402 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00264
BindingDB Entry DOI: 10.7270/Q2VQ3641
More data for this
Ligand-Target Pair
Transcription initiation factor TFIID subunit 1


(Homo sapiens (Human))
BDBM50532326
PNG
(CHEMBL4519632)
Show SMILES C\C=C\Cn1cc(-c2cccc(c2)C(=O)N(C)C)c2cc[nH]c2c1=O
Show InChI InChI=1S/C20H21N3O2/c1-4-5-11-23-13-17(16-9-10-21-18(16)20(23)25)14-7-6-8-15(12-14)19(24)22(2)3/h4-10,12-13,21H,11H2,1-3H3/b5-4+
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Genentech

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged TAF1 isoform-2 (unknown origin) using biotinylated ligand incubated for 10 mins by TR-FRET assay


J Med Chem 59: 5391-402 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00264
BindingDB Entry DOI: 10.7270/Q2VQ3641
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50532326
PNG
(CHEMBL4519632)
Show SMILES C\C=C\Cn1cc(-c2cccc(c2)C(=O)N(C)C)c2cc[nH]c2c1=O
Show InChI InChI=1S/C20H21N3O2/c1-4-5-11-23-13-17(16-9-10-21-18(16)20(23)25)14-7-6-8-15(12-14)19(24)22(2)3/h4-10,12-13,21H,11H2,1-3H3/b5-4+
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Genentech

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged BRD4 bromodomain1 (unknown origin) using biotinylated ligand incubated for 10 mins by TR-FRET assay


J Med Chem 59: 5391-402 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00264
BindingDB Entry DOI: 10.7270/Q2VQ3641
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50532326
PNG
(CHEMBL4519632)
Show SMILES C\C=C\Cn1cc(-c2cccc(c2)C(=O)N(C)C)c2cc[nH]c2c1=O
Show InChI InChI=1S/C20H21N3O2/c1-4-5-11-23-13-17(16-9-10-21-18(16)20(23)25)14-7-6-8-15(12-14)19(24)22(2)3/h4-10,12-13,21H,11H2,1-3H3/b5-4+
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Genentech

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged BRD4 bromodomain1 (unknown origin) using biotinylated ligand incubated for 10 mins by TR-FRET assay


J Med Chem 59: 5391-402 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00264
BindingDB Entry DOI: 10.7270/Q2VQ3641
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM310898
PNG
(N,N-dimethyl-3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]py...)
Show SMILES CN(C)C(=O)c1cccc(c1)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C17H17N3O2/c1-19(2)16(21)12-6-4-5-11(9-12)14-10-20(3)17(22)15-13(14)7-8-18-15/h4-10,18H,1-3H3
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Genentech

Curated by ChEMBL


Assay Description
Displacement of biotinylated JQ1 analog from recombinant His-tagged CBP (unknown origin) incubated for 10 mins by TR-FRET assay


J Med Chem 59: 5391-402 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00264
BindingDB Entry DOI: 10.7270/Q2VQ3641
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM310898
PNG
(N,N-dimethyl-3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]py...)
Show SMILES CN(C)C(=O)c1cccc(c1)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C17H17N3O2/c1-19(2)16(21)12-6-4-5-11(9-12)14-10-20(3)17(22)15-13(14)7-8-18-15/h4-10,18H,1-3H3
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Genentech

Curated by ChEMBL


Assay Description
Displacement of biotinylated JQ1 analog from recombinant His-tagged CBP (unknown origin) incubated for 10 mins by TR-FRET assay


J Med Chem 59: 5391-402 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00264
BindingDB Entry DOI: 10.7270/Q2VQ3641
More data for this
Ligand-Target Pair
Transcription initiation factor TFIID subunit 1


(Homo sapiens (Human))
BDBM321443
PNG
(3-(6-allyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-N,...)
Show SMILES CN(C)C(=O)c1cccc(c1)-c1cn(CC=C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C19H19N3O2/c1-4-10-22-12-16(15-8-9-20-17(15)19(22)24)13-6-5-7-14(11-13)18(23)21(2)3/h4-9,11-12,20H,1,10H2,2-3H3
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Genentech

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged TAF1 isoform-2 (unknown origin) using biotinylated ligand incubated for 10 mins by TR-FRET assay


J Med Chem 59: 5391-402 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00264
BindingDB Entry DOI: 10.7270/Q2VQ3641
More data for this
Ligand-Target Pair
Transcription initiation factor TFIID subunit 1


(Homo sapiens (Human))
BDBM321443
PNG
(3-(6-allyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-N,...)
Show SMILES CN(C)C(=O)c1cccc(c1)-c1cn(CC=C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C19H19N3O2/c1-4-10-22-12-16(15-8-9-20-17(15)19(22)24)13-6-5-7-14(11-13)18(23)21(2)3/h4-9,11-12,20H,1,10H2,2-3H3
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Genentech

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged TAF1 isoform-2 (unknown origin) using biotinylated ligand incubated for 10 mins by TR-FRET assay


J Med Chem 59: 5391-402 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00264
BindingDB Entry DOI: 10.7270/Q2VQ3641
More data for this
Ligand-Target Pair
Bromodomain adjacent to zinc finger domain protein 2A


(Homo sapiens (Human))
BDBM310898
PNG
(N,N-dimethyl-3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]py...)
Show SMILES CN(C)C(=O)c1cccc(c1)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C17H17N3O2/c1-19(2)16(21)12-6-4-5-11(9-12)14-10-20(3)17(22)15-13(14)7-8-18-15/h4-10,18H,1-3H3
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Genentech

Curated by ChEMBL


Assay Description
Binding affinity to human partial length BAZ2A expressed in bacterial expression system by BROMOscan assay


J Med Chem 59: 5391-402 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00264
BindingDB Entry DOI: 10.7270/Q2VQ3641
More data for this
Ligand-Target Pair
Bromodomain adjacent to zinc finger domain protein 2A


(Homo sapiens (Human))
BDBM310898
PNG
(N,N-dimethyl-3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]py...)
Show SMILES CN(C)C(=O)c1cccc(c1)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C17H17N3O2/c1-19(2)16(21)12-6-4-5-11(9-12)14-10-20(3)17(22)15-13(14)7-8-18-15/h4-10,18H,1-3H3
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Genentech

Curated by ChEMBL


Assay Description
Binding affinity to human partial length BAZ2A expressed in bacterial expression system by BROMOscan assay


J Med Chem 59: 5391-402 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00264
BindingDB Entry DOI: 10.7270/Q2VQ3641
More data for this
Ligand-Target Pair
Transcription intermediary factor 1-alpha


(Homo sapiens (Human))
BDBM310898
PNG
(N,N-dimethyl-3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]py...)
Show SMILES CN(C)C(=O)c1cccc(c1)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C17H17N3O2/c1-19(2)16(21)12-6-4-5-11(9-12)14-10-20(3)17(22)15-13(14)7-8-18-15/h4-10,18H,1-3H3
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Genentech

Curated by ChEMBL


Assay Description
Binding affinity to human partial length TRIM24 expressed in bacterial expression system by BROMOscan assay


J Med Chem 59: 5391-402 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00264
BindingDB Entry DOI: 10.7270/Q2VQ3641
More data for this
Ligand-Target Pair
Transcription intermediary factor 1-alpha


(Homo sapiens (Human))
BDBM310898
PNG
(N,N-dimethyl-3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]py...)
Show SMILES CN(C)C(=O)c1cccc(c1)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C17H17N3O2/c1-19(2)16(21)12-6-4-5-11(9-12)14-10-20(3)17(22)15-13(14)7-8-18-15/h4-10,18H,1-3H3
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Genentech

Curated by ChEMBL


Assay Description
Binding affinity to human partial length TRIM24 expressed in bacterial expression system by BROMOscan assay


J Med Chem 59: 5391-402 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00264
BindingDB Entry DOI: 10.7270/Q2VQ3641
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50532326
PNG
(CHEMBL4519632)
Show SMILES C\C=C\Cn1cc(-c2cccc(c2)C(=O)N(C)C)c2cc[nH]c2c1=O
Show InChI InChI=1S/C20H21N3O2/c1-4-5-11-23-13-17(16-9-10-21-18(16)20(23)25)14-7-6-8-15(12-14)19(24)22(2)3/h4-10,12-13,21H,11H2,1-3H3/b5-4+
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Genentech

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged BRD4 bromodomain2 (unknown origin) using biotinylated ligand incubated for 10 mins by TR-FRET assay


J Med Chem 59: 5391-402 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00264
BindingDB Entry DOI: 10.7270/Q2VQ3641
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50532326
PNG
(CHEMBL4519632)
Show SMILES C\C=C\Cn1cc(-c2cccc(c2)C(=O)N(C)C)c2cc[nH]c2c1=O
Show InChI InChI=1S/C20H21N3O2/c1-4-5-11-23-13-17(16-9-10-21-18(16)20(23)25)14-7-6-8-15(12-14)19(24)22(2)3/h4-10,12-13,21H,11H2,1-3H3/b5-4+
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Genentech

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged BRD4 bromodomain2 (unknown origin) using biotinylated ligand incubated for 10 mins by TR-FRET assay


J Med Chem 59: 5391-402 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00264
BindingDB Entry DOI: 10.7270/Q2VQ3641
More data for this
Ligand-Target Pair
Bromodomain-containing protein 9


(Homo sapiens (Human))
BDBM321448
PNG
(3-(6-but-3-enyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-y...)
Show SMILES CN(C)C(=O)c1cccc(c1)-c1cn(CCC=C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C20H21N3O2/c1-4-5-11-23-13-17(16-9-10-21-18(16)20(23)25)14-7-6-8-15(12-14)19(24)22(2)3/h4,6-10,12-13,21H,1,5,11H2,2-3H3
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Genentech

Curated by ChEMBL


Assay Description
Displacement of biotinylated JQ1 analog from recombinant His-tagged BRD9 (unknown origin) incubated for 10 mins by TR-FRET assay


J Med Chem 59: 5391-402 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00264
BindingDB Entry DOI: 10.7270/Q2VQ3641
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 9


(Homo sapiens (Human))
BDBM321448
PNG
(3-(6-but-3-enyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-y...)
Show SMILES CN(C)C(=O)c1cccc(c1)-c1cn(CCC=C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C20H21N3O2/c1-4-5-11-23-13-17(16-9-10-21-18(16)20(23)25)14-7-6-8-15(12-14)19(24)22(2)3/h4,6-10,12-13,21H,1,5,11H2,2-3H3
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Genentech

Curated by ChEMBL


Assay Description
Displacement of biotinylated JQ1 analog from recombinant His-tagged BRD9 (unknown origin) incubated for 10 mins by TR-FRET assay


J Med Chem 59: 5391-402 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00264
BindingDB Entry DOI: 10.7270/Q2VQ3641
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peregrin


(Homo sapiens (Human))
BDBM310898
PNG
(N,N-dimethyl-3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]py...)
Show SMILES CN(C)C(=O)c1cccc(c1)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C17H17N3O2/c1-19(2)16(21)12-6-4-5-11(9-12)14-10-20(3)17(22)15-13(14)7-8-18-15/h4-10,18H,1-3H3
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Genentech

Curated by ChEMBL


Assay Description
Displacement of biotinylated JQ1 analog from recombinant His-tagged BRPF1 (unknown origin) incubated for 10 mins by TR-FRET assay


J Med Chem 59: 5391-402 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00264
BindingDB Entry DOI: 10.7270/Q2VQ3641
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM321443
PNG
(3-(6-allyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-N,...)
Show SMILES CN(C)C(=O)c1cccc(c1)-c1cn(CC=C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C19H19N3O2/c1-4-10-22-12-16(15-8-9-20-17(15)19(22)24)13-6-5-7-14(11-13)18(23)21(2)3/h4-9,11-12,20H,1,10H2,2-3H3
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Genentech

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged BRD4 bromodomain2 (unknown origin) using biotinylated ligand incubated for 10 mins by TR-FRET assay


J Med Chem 59: 5391-402 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00264
BindingDB Entry DOI: 10.7270/Q2VQ3641
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM321443
PNG
(3-(6-allyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-N,...)
Show SMILES CN(C)C(=O)c1cccc(c1)-c1cn(CC=C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C19H19N3O2/c1-4-10-22-12-16(15-8-9-20-17(15)19(22)24)13-6-5-7-14(11-13)18(23)21(2)3/h4-9,11-12,20H,1,10H2,2-3H3
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Genentech

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged BRD4 bromodomain2 (unknown origin) using biotinylated ligand incubated for 10 mins by TR-FRET assay


J Med Chem 59: 5391-402 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00264
BindingDB Entry DOI: 10.7270/Q2VQ3641
More data for this
Ligand-Target Pair
Peregrin


(Homo sapiens (Human))
BDBM310898
PNG
(N,N-dimethyl-3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]py...)
Show SMILES CN(C)C(=O)c1cccc(c1)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C17H17N3O2/c1-19(2)16(21)12-6-4-5-11(9-12)14-10-20(3)17(22)15-13(14)7-8-18-15/h4-10,18H,1-3H3
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Genentech

Curated by ChEMBL


Assay Description
Displacement of biotinylated JQ1 analog from recombinant His-tagged BRPF1 (unknown origin) incubated for 10 mins by TR-FRET assay


J Med Chem 59: 5391-402 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00264
BindingDB Entry DOI: 10.7270/Q2VQ3641
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM321448
PNG
(3-(6-but-3-enyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-y...)
Show SMILES CN(C)C(=O)c1cccc(c1)-c1cn(CCC=C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C20H21N3O2/c1-4-5-11-23-13-17(16-9-10-21-18(16)20(23)25)14-7-6-8-15(12-14)19(24)22(2)3/h4,6-10,12-13,21H,1,5,11H2,2-3H3
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Genentech

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged BRD4 bromodomain1 (unknown origin) using biotinylated ligand incubated for 10 mins by TR-FRET assay


J Med Chem 59: 5391-402 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00264
BindingDB Entry DOI: 10.7270/Q2VQ3641
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM321448
PNG
(3-(6-but-3-enyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-y...)
Show SMILES CN(C)C(=O)c1cccc(c1)-c1cn(CCC=C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C20H21N3O2/c1-4-5-11-23-13-17(16-9-10-21-18(16)20(23)25)14-7-6-8-15(12-14)19(24)22(2)3/h4,6-10,12-13,21H,1,5,11H2,2-3H3
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Genentech

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged BRD4 bromodomain1 (unknown origin) using biotinylated ligand incubated for 10 mins by TR-FRET assay


J Med Chem 59: 5391-402 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00264
BindingDB Entry DOI: 10.7270/Q2VQ3641
More data for this
Ligand-Target Pair
Bromodomain adjacent to zinc finger domain protein 2B


(Homo sapiens (Human))
BDBM310898
PNG
(N,N-dimethyl-3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]py...)
Show SMILES CN(C)C(=O)c1cccc(c1)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C17H17N3O2/c1-19(2)16(21)12-6-4-5-11(9-12)14-10-20(3)17(22)15-13(14)7-8-18-15/h4-10,18H,1-3H3
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Genentech

Curated by ChEMBL


Assay Description
Binding affinity to human partial length BAZ2B expressed in bacterial expression system by BROMOscan assay


J Med Chem 59: 5391-402 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00264
BindingDB Entry DOI: 10.7270/Q2VQ3641
More data for this
Ligand-Target Pair
Transcription initiation factor TFIID subunit 1


(Homo sapiens (Human))
BDBM310898
PNG
(N,N-dimethyl-3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]py...)
Show SMILES CN(C)C(=O)c1cccc(c1)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C17H17N3O2/c1-19(2)16(21)12-6-4-5-11(9-12)14-10-20(3)17(22)15-13(14)7-8-18-15/h4-10,18H,1-3H3
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Genentech

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged TAF1 isoform-1 (unknown origin) using biotinylated ligand incubated for 10 mins by TR-FRET assay


J Med Chem 59: 5391-402 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00264
BindingDB Entry DOI: 10.7270/Q2VQ3641
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain adjacent to zinc finger domain protein 2B


(Homo sapiens (Human))
BDBM310898
PNG
(N,N-dimethyl-3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]py...)
Show SMILES CN(C)C(=O)c1cccc(c1)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C17H17N3O2/c1-19(2)16(21)12-6-4-5-11(9-12)14-10-20(3)17(22)15-13(14)7-8-18-15/h4-10,18H,1-3H3
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Genentech

Curated by ChEMBL


Assay Description
Binding affinity to human partial length BAZ2B expressed in bacterial expression system by BROMOscan assay


J Med Chem 59: 5391-402 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00264
BindingDB Entry DOI: 10.7270/Q2VQ3641
More data for this
Ligand-Target Pair
Transcription initiation factor TFIID subunit 1


(Homo sapiens (Human))
BDBM310898
PNG
(N,N-dimethyl-3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]py...)
Show SMILES CN(C)C(=O)c1cccc(c1)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C17H17N3O2/c1-19(2)16(21)12-6-4-5-11(9-12)14-10-20(3)17(22)15-13(14)7-8-18-15/h4-10,18H,1-3H3
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Genentech

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged TAF1 isoform-1 (unknown origin) using biotinylated ligand incubated for 10 mins by TR-FRET assay


J Med Chem 59: 5391-402 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00264
BindingDB Entry DOI: 10.7270/Q2VQ3641
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Chromatin remodeling regulator CECR2


(Homo sapiens (Human))
BDBM321448
PNG
(3-(6-but-3-enyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-y...)
Show SMILES CN(C)C(=O)c1cccc(c1)-c1cn(CCC=C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C20H21N3O2/c1-4-5-11-23-13-17(16-9-10-21-18(16)20(23)25)14-7-6-8-15(12-14)19(24)22(2)3/h4,6-10,12-13,21H,1,5,11H2,2-3H3
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Genentech

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged CECR2 (unknown origin) using biotinylated ligand incubated for 10 mins by TR-FRET assay


J Med Chem 59: 5391-402 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00264
BindingDB Entry DOI: 10.7270/Q2VQ3641
More data for this
Ligand-Target Pair
Chromatin remodeling regulator CECR2


(Homo sapiens (Human))
BDBM321448
PNG
(3-(6-but-3-enyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-y...)
Show SMILES CN(C)C(=O)c1cccc(c1)-c1cn(CCC=C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C20H21N3O2/c1-4-5-11-23-13-17(16-9-10-21-18(16)20(23)25)14-7-6-8-15(12-14)19(24)22(2)3/h4,6-10,12-13,21H,1,5,11H2,2-3H3
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Genentech

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged CECR2 (unknown origin) using biotinylated ligand incubated for 10 mins by TR-FRET assay


J Med Chem 59: 5391-402 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00264
BindingDB Entry DOI: 10.7270/Q2VQ3641
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM321448
PNG
(3-(6-but-3-enyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-y...)
Show SMILES CN(C)C(=O)c1cccc(c1)-c1cn(CCC=C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C20H21N3O2/c1-4-5-11-23-13-17(16-9-10-21-18(16)20(23)25)14-7-6-8-15(12-14)19(24)22(2)3/h4,6-10,12-13,21H,1,5,11H2,2-3H3
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Genentech

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged BRD4 bromodomain2 (unknown origin) using biotinylated ligand incubated for 10 mins by TR-FRET assay


J Med Chem 59: 5391-402 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00264
BindingDB Entry DOI: 10.7270/Q2VQ3641
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM321448
PNG
(3-(6-but-3-enyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-y...)
Show SMILES CN(C)C(=O)c1cccc(c1)-c1cn(CCC=C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C20H21N3O2/c1-4-5-11-23-13-17(16-9-10-21-18(16)20(23)25)14-7-6-8-15(12-14)19(24)22(2)3/h4,6-10,12-13,21H,1,5,11H2,2-3H3
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Genentech

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged BRD4 bromodomain2 (unknown origin) using biotinylated ligand incubated for 10 mins by TR-FRET assay


J Med Chem 59: 5391-402 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00264
BindingDB Entry DOI: 10.7270/Q2VQ3641
More data for this
Ligand-Target Pair
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