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SMILES: CN(C)C(=O)c1cccc(c1)-c1cn(C)c(=O)c2[nH]ccc12

InChI Key: InChIKey=YHMNROQTPUKNLA-UHFFFAOYSA-N

PDB links: 3 PDB IDs match this monomer.

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 38 hits for monomerid = 310898   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Bromodomain-containing protein 9 [134-239]


(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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US Patent
n/an/a 53n/an/an/an/an/an/a



Genentech, Inc.; Constellation Pharmaceuticals Inc.

US Patent


Assay Description
His/Flag epitope tagged BRD9134-239 was cloned, expressed, and purified to homogeneity. BRD9 binding and inhibition was assessed by monitoring the en...


US Patent US10150767 (2018)


BindingDB Entry DOI: 10.7270/Q2V98B5W
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Probable global transcription activator SNF2L2


(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 6.70E+3n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Binding affinity to human partial length SMARCA2 expressed in bacterial expression system by BROMOscan assay


J Med Chem 59: 5391-402 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00264
More data for this
Ligand-Target Pair
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 Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged BRD4 bromodomain 2 (unknown origin) after 10 mins by TR-FRET assay


J Med Chem 61: 9301-9315 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01225
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 Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged CECR2 (unknown origin) after 10 mins by TR-FRET assay


J Med Chem 61: 9301-9315 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01225
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 Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged CBP (unknown origin) after 10 mins by TR-FRET assay


J Med Chem 61: 9301-9315 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01225
More data for this
Ligand-Target Pair
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 Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged BRD4 bromodomain 1 (unknown origin) after 10 mins by TR-FRET assay


J Med Chem 61: 9301-9315 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01225
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 3.60E+3n/an/an/an/an/an/a



Genentech Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged TAF1 bromodomain 1 (unknown origin) after 10 mins by TR-FRET assay


J Med Chem 61: 9301-9315 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01225
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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n/an/a 230n/an/an/an/an/an/a



Genentech Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged BRD9 (unknown origin) after 10 mins by TR-FRET assay


J Med Chem 61: 9301-9315 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01225
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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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n/an/a 880n/an/an/an/an/an/a



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
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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n/an/a 910n/an/an/an/an/an/a



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
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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n/an/a 270n/an/an/an/an/an/a



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
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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n/an/a 3.60E+3n/an/an/an/an/an/a



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
More data for this
Ligand-Target Pair
Transcription activator BRG1


(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 9.00E+3n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Binding affinity to human partial length SMARCA4 expressed in bacterial expression system by BROMOscan assay


J Med Chem 59: 5391-402 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00264
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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n/an/a 240n/an/an/an/an/an/a



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
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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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
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 3.60E+3n/an/an/an/an/an/a



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
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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n/an/a 230n/an/an/an/an/an/a



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
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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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n/an/a 560n/an/an/an/an/an/a



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
More data for this
Ligand-Target Pair
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
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
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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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n/an/a 270n/an/an/an/an/an/a



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
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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n/an/a 3.60E+3n/an/an/an/an/an/a



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
More data for this
Ligand-Target Pair
Transcription activator BRG1


(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 9.00E+3n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Binding affinity to human partial length SMARCA4 expressed in bacterial expression system by BROMOscan assay


J Med Chem 59: 5391-402 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00264
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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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
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 3.60E+3n/an/an/an/an/an/a



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
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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n/an/a 230n/an/an/an/an/an/a



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
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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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n/an/a 560n/an/an/an/an/an/a



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
More data for this
Ligand-Target Pair
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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n/an/a 65n/an/an/an/an/an/a



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
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
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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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n/an/a 910n/an/an/an/an/an/a



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
More data for this
Ligand-Target Pair
Protein polybromo-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 7.60E+3n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Binding affinity to human partial length PBRM1(2) expressed in bacterial expression system by BROMOscan assay


J Med Chem 59: 5391-402 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00264
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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n/an/a 1.50E+3n/an/an/an/an/an/a



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
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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n/an/a 1.50E+3n/an/an/an/an/an/a



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
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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n/an/a 880n/an/an/an/an/an/a



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
More data for this
Ligand-Target Pair
Protein polybromo-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 7.60E+3n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Binding affinity to human partial length PBRM1(2) expressed in bacterial expression system by BROMOscan assay


J Med Chem 59: 5391-402 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00264
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
More data for this
Ligand-Target Pair
Probable global transcription activator SNF2L2


(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 6.70E+3n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Binding affinity to human partial length SMARCA2 expressed in bacterial expression system by BROMOscan assay


J Med Chem 59: 5391-402 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00264
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 Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged TAF1 bromodomain 2 (unknown origin) after 10 mins by TR-FRET assay


J Med Chem 61: 9301-9315 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01225
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)