BDBM10989 (1R)-N-(prop-2-yn-1-yl)-2,3-dihydro-1H-inden-1-amine::CHEMBL887::Rasagiline::US9034303, Rasagiline

SMILES C#CCN[C@@H]1CCc2ccccc12

InChI Key InChIKey=RUOKEQAAGRXIBM-GFCCVEGCSA-N

Data  9 KI  121 IC50

PDB links: 1 PDB ID matches 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 = 10989   

TargetAmine oxidase [flavin-containing] B(Homo sapiens (Human))
University of Pavia

LigandPNGBDBM10989((1R)-N-(prop-2-yn-1-yl)-2,3-dihydro-1H-inden-1-ami...)
Affinity DataKi:  700nM ΔG°:  -8.39kcal/molepH: 7.5 T: 2°CAssay Description:MAO A and MAO B activities were determined spectrophotometrically at 316 nm and 250 nm using kynuramine and benzylamine as substrates, respectively. ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAmine oxidase [flavin-containing] A(Homo sapiens (Human))
University of Pavia

LigandPNGBDBM10989((1R)-N-(prop-2-yn-1-yl)-2,3-dihydro-1H-inden-1-ami...)
Affinity DataKi:  9.70E+3nM ΔG°:  -6.83kcal/molepH: 7.5 T: 2°CAssay Description:MAO A and MAO B activities were determined spectrophotometrically at 316 nm and 250 nm using kynuramine and benzylamine as substrates, respectively. ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed