BDBM10994 (1R)-1-(prop-2-yn-1-ylamino)-2,3-dihydro-1H-inden-4-ol::4-hydroxy-N-propargyl-1(R)-aminoindan::R-4HPAI::rasagiline analog

SMILES Oc1cccc2[C@@H](CCc12)NCC#C

InChI Key InChIKey=MQJZMFWAGYASSM-LLVKDONJSA-N

Data  2 KI

  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 2 hits for monomerid = 10994   

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

LigandPNGBDBM10994((1R)-1-(prop-2-yn-1-ylamino)-2,3-dihydro-1H-inden-...)
Affinity DataKi:  2.00E+3nM ΔG°:  -7.77kcal/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))
University of Pavia

LigandPNGBDBM10994((1R)-1-(prop-2-yn-1-ylamino)-2,3-dihydro-1H-inden-...)
Affinity DataKi:  3.10E+4nM ΔG°:  -6.15kcal/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