BDBM15581 CHEMBL8706::CLG::CLORGILINE::Clorgyline::N-[3-(2,4-dichlorophenoxy)propyl]-N-methyl-prop-2-yn-1-amine::US8633208, Clorgyline::US9603833, Clorgyline::[3-(2,4-dichlorophenoxy)propyl](methyl)prop-2-yn-1-ylamine

SMILES C[N@](CCCOc1ccc(cc1Cl)Cl)CC#C

InChI Key InChIKey=BTFHLQRNAMSNLC-UHFFFAOYSA-N

Data  19 KI  215 IC50

PDB links: 3 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 15581   

TargetAmine oxidase [flavin-containing] A(Human)
Guizhou Medical University

Curated by ChEMBL
LigandPNGBDBM15581(US8633208, Clorgyline | [3-(2,4-dichlorophenoxy)pr...)
Affinity DataIC50: 2.90nMAssay Description:Inhibition of recombinant human MAOA expressed in baculovirus infected in BTI cells using kynuramine as substrate after 30 mins by fluorescence based...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/14/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetAmine oxidase [flavin-containing] B(Human)
Guizhou Medical University

Curated by ChEMBL
LigandPNGBDBM15581(US8633208, Clorgyline | [3-(2,4-dichlorophenoxy)pr...)
Affinity DataIC50: 2.34E+3nMAssay Description:Inhibition of recombinant human MAOB expressed in baculovirus infected in BTI cells using kynuramine as substrate after 30 mins by fluorescence based...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/14/2021
Entry Details Article
PubMed