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BDBM50178216 CHEMBL3814920::US10206931, Example 131

SMILES: C[C@@H]1CC(=O)Nc2ccccc2N1

InChI Key: InChIKey=BBPWQLMHOSRDMA-SSDOTTSWSA-N

Data: 5 IC50

PDB links: 1 PDB ID matches 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 5 hits for monomerid = 50178216   
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))
BDBM50178216
PNG
(CHEMBL3814920 | US10206931, Example 131)
Show SMILES C[C@@H]1CC(=O)Nc2ccccc2N1
Show InChI InChI=1S/C10H12N2O/c1-7-6-10(13)12-9-5-3-2-4-8(9)11-7/h2-5,7,11H,6H2,1H3,(H,12,13)/t7-/m1/s1
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Article
PubMed
n/an/a 2.60E+5n/an/an/an/an/an/a



Constellation Pharmaceuticals

Curated by ChEMBL


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


ACS Med Chem Lett 7: 531-6 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00075
BindingDB Entry DOI: 10.7270/Q20G3N3S
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50178216
PNG
(CHEMBL3814920 | US10206931, Example 131)
Show SMILES C[C@@H]1CC(=O)Nc2ccccc2N1
Show InChI InChI=1S/C10H12N2O/c1-7-6-10(13)12-9-5-3-2-4-8(9)11-7/h2-5,7,11H,6H2,1H3,(H,12,13)/t7-/m1/s1
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Article
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n/an/a 2.70E+4n/an/an/an/an/an/a



Constellation Pharmaceuticals

Curated by ChEMBL


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


ACS Med Chem Lett 7: 531-6 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00075
BindingDB Entry DOI: 10.7270/Q20G3N3S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
CREB-binding protein/Histone acetyltransferase p300


(Homo sapiens (Human))
BDBM50178216
PNG
(CHEMBL3814920 | US10206931, Example 131)
Show SMILES C[C@@H]1CC(=O)Nc2ccccc2N1
Show InChI InChI=1S/C10H12N2O/c1-7-6-10(13)12-9-5-3-2-4-8(9)11-7/h2-5,7,11H,6H2,1H3,(H,12,13)/t7-/m1/s1
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n/an/a 1.40E+4n/an/an/an/an/an/a



Jilin University

Curated by ChEMBL


Assay Description
Inhibition of human His-FLAG tagged CBP/EP300 (1082 to 1197 residues) using H4-TetraAc-biotin peptide as substrate after 90 mins by AlphaLISA method


Bioorg Med Chem 26: 712-720 (2018)


BindingDB Entry DOI: 10.7270/Q2VH5RFC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
BRD4 BD1 (aa 42-168)


(Homo sapiens (Human))
BDBM50178216
PNG
(CHEMBL3814920 | US10206931, Example 131)
Show SMILES C[C@@H]1CC(=O)Nc2ccccc2N1
Show InChI InChI=1S/C10H12N2O/c1-7-6-10(13)12-9-5-3-2-4-8(9)11-7/h2-5,7,11H,6H2,1H3,(H,12,13)/t7-/m1/s1
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US Patent
n/an/a>1.97E+4n/an/an/an/an/an/a



Genentech 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 US10206931 (2019)


BindingDB Entry DOI: 10.7270/Q2GM89FR
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50178216
PNG
(CHEMBL3814920 | US10206931, Example 131)
Show SMILES C[C@@H]1CC(=O)Nc2ccccc2N1
Show InChI InChI=1S/C10H12N2O/c1-7-6-10(13)12-9-5-3-2-4-8(9)11-7/h2-5,7,11H,6H2,1H3,(H,12,13)/t7-/m1/s1
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PDB
US Patent
n/an/a 2.13E+3n/an/an/an/an/an/a



Genentech 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 US10206931 (2019)


BindingDB Entry DOI: 10.7270/Q2GM89FR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)