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2 similar compounds to monomer 50200385

Compile data set for download or QSAR
Wt: 284.3
BDBM50200387
Wt: 323.3
BDBM50200391

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50200387,50200391   
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 4


(Homo sapiens (Human))
BDBM50200391
PNG
(CHEMBL3928531 | US9763922, Example 214)
Show SMILES CC(=O)N1CCc2c(C1)c(Nc1cccc(C)c1)nn2CCC#N
Show InChI InChI=1S/C18H21N5O/c1-13-5-3-6-15(11-13)20-18-16-12-22(14(2)24)10-7-17(16)23(21-18)9-4-8-19/h3,5-6,11H,4,7,9-10,12H2,1-2H3,(H,20,21)
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Article
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Displacement of biotinylated ligand from recombinant His-tagged BRD4 bromodomain-1 (unknown origin) measured after 10 mins by TR-FRET assay


J Med Chem 59: 10549-10563 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01022
BindingDB Entry DOI: 10.7270/Q27083DF
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50200387
PNG
(CHEMBL3972721 | US9763922, Example 198)
Show SMILES CC(=O)N1CCc2c(C1)c(Nc1cccc(C)c1)nn2C
Show InChI InChI=1S/C16H20N4O/c1-11-5-4-6-13(9-11)17-16-14-10-20(12(2)21)8-7-15(14)19(3)18-16/h4-6,9H,7-8,10H2,1-3H3,(H,17,18)
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PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Displacement of biotinylated ligand from recombinant His-tagged BRD4 bromodomain-1 (unknown origin) measured after 10 mins by TR-FRET assay


J Med Chem 59: 10549-10563 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01022
BindingDB Entry DOI: 10.7270/Q27083DF
More data for this
Ligand-Target Pair
CREB-binding protein/Histone acetyltransferase p300


(Homo sapiens (Human))
BDBM50200387
PNG
(CHEMBL3972721 | US9763922, Example 198)
Show SMILES CC(=O)N1CCc2c(C1)c(Nc1cccc(C)c1)nn2C
Show InChI InChI=1S/C16H20N4O/c1-11-5-4-6-13(9-11)17-16-14-10-20(12(2)21)8-7-15(14)19(3)18-16/h4-6,9H,7-8,10H2,1-3H3,(H,17,18)
PDB
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n/an/a 200n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Displacement of biotinylated ligand from recombinant His-tagged CBP/EP300 (unknown origin) measured after 10 mins by TR-FRET assay


J Med Chem 59: 10549-10563 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01022
BindingDB Entry DOI: 10.7270/Q27083DF
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50200391
PNG
(CHEMBL3928531 | US9763922, Example 214)
Show SMILES CC(=O)N1CCc2c(C1)c(Nc1cccc(C)c1)nn2CCC#N
Show InChI InChI=1S/C18H21N5O/c1-13-5-3-6-15(11-13)20-18-16-12-22(14(2)24)10-7-17(16)23(21-18)9-4-8-19/h3,5-6,11H,4,7,9-10,12H2,1-2H3,(H,20,21)
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US Patent
n/an/a 1.46E+4n/an/an/an/an/an/a



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
His/Flag epitope tagged BRD4 BD142-168 was cloned, expressed, and purified to. BRD4 binding and inhibition was assessed by monitoring the engagement ...


US Patent US9763922 (2017)


BindingDB Entry DOI: 10.7270/Q23N25G6
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50200387
PNG
(CHEMBL3972721 | US9763922, Example 198)
Show SMILES CC(=O)N1CCc2c(C1)c(Nc1cccc(C)c1)nn2C
Show InChI InChI=1S/C16H20N4O/c1-11-5-4-6-13(9-11)17-16-14-10-20(12(2)21)8-7-15(14)19(3)18-16/h4-6,9H,7-8,10H2,1-3H3,(H,17,18)
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US Patent
n/an/a 260n/an/an/an/an/an/a



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
His/Flag epitope tagged CBP was cloned, expressed, and purified to homogeneity. CBP binding and inhibition was assessed by monitoring the engagement ...


US Patent US9763922 (2017)


BindingDB Entry DOI: 10.7270/Q23N25G6
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50200387
PNG
(CHEMBL3972721 | US9763922, Example 198)
Show SMILES CC(=O)N1CCc2c(C1)c(Nc1cccc(C)c1)nn2C
Show InChI InChI=1S/C16H20N4O/c1-11-5-4-6-13(9-11)17-16-14-10-20(12(2)21)8-7-15(14)19(3)18-16/h4-6,9H,7-8,10H2,1-3H3,(H,17,18)
PDB

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US Patent
n/an/a 2.57E+4n/an/an/an/an/an/a



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
His/Flag epitope tagged BRD4 BD142-168 was cloned, expressed, and purified to. BRD4 binding and inhibition was assessed by monitoring the engagement ...


US Patent US9763922 (2017)


BindingDB Entry DOI: 10.7270/Q23N25G6
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50200391
PNG
(CHEMBL3928531 | US9763922, Example 214)
Show SMILES CC(=O)N1CCc2c(C1)c(Nc1cccc(C)c1)nn2CCC#N
Show InChI InChI=1S/C18H21N5O/c1-13-5-3-6-15(11-13)20-18-16-12-22(14(2)24)10-7-17(16)23(21-18)9-4-8-19/h3,5-6,11H,4,7,9-10,12H2,1-2H3,(H,20,21)
PDB
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US Patent
n/an/a 220n/an/an/an/an/an/a



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
His/Flag epitope tagged CBP was cloned, expressed, and purified to homogeneity. CBP binding and inhibition was assessed by monitoring the engagement ...


US Patent US9763922 (2017)


BindingDB Entry DOI: 10.7270/Q23N25G6
More data for this
Ligand-Target Pair
CREB-binding protein/Histone acetyltransferase p300


(Homo sapiens (Human))
BDBM50200391
PNG
(CHEMBL3928531 | US9763922, Example 214)
Show SMILES CC(=O)N1CCc2c(C1)c(Nc1cccc(C)c1)nn2CCC#N
Show InChI InChI=1S/C18H21N5O/c1-13-5-3-6-15(11-13)20-18-16-12-22(14(2)24)10-7-17(16)23(21-18)9-4-8-19/h3,5-6,11H,4,7,9-10,12H2,1-2H3,(H,20,21)
PDB
MMDB

Reactome pathway

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PC sid
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Article
PubMed
n/an/a 220n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Displacement of biotinylated ligand from recombinant His-tagged CBP/EP300 (unknown origin) measured after 10 mins by TR-FRET assay


J Med Chem 59: 10549-10563 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01022
BindingDB Entry DOI: 10.7270/Q27083DF
More data for this
Ligand-Target Pair