BDBM50646410 CHEMBL5591458

SMILES c1ccc(cc1)C/[N+](=C/c2ccc3cccc(c3n2)O)/[O-]

InChI Key InChIKey=SHXQVJVENHOUOF-UHFFFAOYSA-N

PDB links: 2 PDB IDs match this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50646410   

TargetCholinesterase(Human)
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50646410BDBM50646410(CHEMBL5591458)
Ligand InfoPC cidPC sidPDB
In Depth
Date in BDB:
6/6/2026
Entry Details PubMedPDB3D3D Structure (crystal)
TargetAcetylcholinesterase(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50646410BDBM50646410(CHEMBL5591458)
Affinity DataIC50: 29nMAssay Description:Inhibition of human AChE using acetylthiocholine iodide as substrate incubated for 1 mins by spectrophotometric Ellman's methodMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetAcetylcholinesterase(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50646410BDBM50646410(CHEMBL5591458)
Affinity DataIC50: 30nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In Depth
Date in BDB:
6/6/2026
Entry Details PubMed
TargetAmine oxidase [flavin-containing] B(Human)
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50646410BDBM50646410(CHEMBL5591458)
Affinity DataIC50: 4.46E+3nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In Depth
Date in BDB:
6/6/2026
Entry Details PubMedPDB3D3D Structure (crystal)
TargetAmine oxidase [flavin-containing] B(Human)
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50646410BDBM50646410(CHEMBL5591458)
Affinity DataIC50: 4.46E+3nMAssay Description:Inhibition of human recombinant MAO-B using benzylamine as substrate by fluorescence based analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetAmine oxidase [flavin-containing] A(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50646410BDBM50646410(CHEMBL5591458)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of human recombinant MAO-A using kynuramine as substrate by incubated for 75 mins by spectrophotometric analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed