BDBM11000 (1S)-N-(prop-2-yn-1-yl)-2,3-dihydro-1H-inden-1-amine::N-propargyl-1(S)-aminoindan::S-PAI::rasagiline analogue

SMILES C#CCN[C@H]1CCc2ccccc12

InChI Key InChIKey=RUOKEQAAGRXIBM-LBPRGKRZSA-N

Data  2 KI

PDB links: 5 PDB IDs match this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 11000   

TargetAmine oxidase [flavin-containing] A(Homo sapiens (Human))
Emory University

LigandPNGBDBM11000((1S)-N-(prop-2-yn-1-yl)-2,3-dihydro-1H-inden-1-ami...)
Affinity DataKi:  1.12E+5nM ΔG°:  -5.39kcal/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] B(Homo sapiens (Human))
Emory University

LigandPNGBDBM11000((1S)-N-(prop-2-yn-1-yl)-2,3-dihydro-1H-inden-1-ami...)
Affinity DataKi:  1.27E+5nM ΔG°:  -5.31kcal/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