BDBM50617589 CHEMBL5419056

SMILES COc1cc(OC)c2c(=O)[nH]c(C3CCN(Cc4ccccc4)CC3)nc2c1

InChI Key InChIKey=MSFIPWKDPOSQLF-UHFFFAOYSA-N

Data  4 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50617589   

TargetBromodomain-containing protein 4(Human)
School of Medicine and Pharmacy

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50617589BDBM50617589(CHEMBL5419056)
Affinity DataIC50: 7.87E+3nMAssay Description:Inhibition of human recombinant BRD4 BD1 (42 to 167 residues) extracted from Escherichia coli BL21 (DE3) incubated for 2 hrs by TR-FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/5/2026
Entry Details
PubMed
TargetAcetylcholinesterase(Electric eel)
Ocean University of China

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50617589BDBM50617589(CHEMBL5419056)
Affinity DataIC50: 7.88E+3nMAssay Description:Inhibition of electric eel AChE using acetylthiocholine iodide as substrate incubated for 20 mins by Ellman's methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/14/2024
Entry Details
PubMed
TargetBromodomain-containing protein 4(Human)
School of Medicine and Pharmacy

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50617589BDBM50617589(CHEMBL5419056)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of human recombinant BRD4 BD2 (349 to 460 residues) extracted from Escherichia coli BL21 (DE3) incubated for 2 hrs by TR-FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/5/2026
Entry Details
PubMed
TargetCholinesterase(Horse)
Ocean University of China

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50617589BDBM50617589(CHEMBL5419056)
Affinity DataIC50: 3.69E+4nMAssay Description:Inhibition of equine serum BChE by Ellman's methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/14/2024
Entry Details
PubMed