BDBM10774 (3R)-3-[methyl(prop-2-yn-1-yl)amino]-2,3-dihydro-1H-inden-5-yl N-ethyl-N-methylcarbamate::6-(N-methyl-N-ethyl-carbamoyloxy)-N-methyl-N-propargyl--1(R)-aminoindan::Aminoindan deriv. (R)19b::N-propargylaminoindan (R)19b::R-M6CPAI::rasagiline analog

SMILES CCN(C)C(=O)Oc1ccc2CC[C@@H](N(C)CC#C)c2c1

InChI Key InChIKey=UJHNPGCWWGEWLU-UHFFFAOYSA-N

Data  2 KI  4 IC50

  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 6 hits for monomerid = 10774   

TargetAcetylcholinesterase(Human)
Teva Pharmaceutical Industries

LigandPNGBDBM10774(rasagiline analog | N-propargylaminoindan (R)19b |...)
Affinity DataIC50: 1.20E+6nMAssay Description:The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/21/2006
Entry Details Article
PubMed
TargetCarboxylic ester hydrolase(Horse)
Teva Pharmaceutical Industries

LigandPNGBDBM10774(rasagiline analog | N-propargylaminoindan (R)19b |...)
Affinity DataIC50: 550nMAssay Description:The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/21/2006
Entry Details Article
PubMed
TargetAmine oxidase [flavin-containing] A(Rat)
Teva Pharmaceutical Industries

LigandPNGBDBM10774(rasagiline analog | N-propargylaminoindan (R)19b |...)
Affinity DataIC50: 4.00E+3nMAssay Description:The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/21/2006
Entry Details Article
PubMed
TargetAmine oxidase [flavin-containing] B(Rat)
Teva Pharmaceutical Industries

LigandPNGBDBM10774(rasagiline analog | N-propargylaminoindan (R)19b |...)
Affinity DataIC50: 1.20E+4nMAssay Description:The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/21/2006
Entry Details Article
PubMed
TargetAmine oxidase [flavin-containing] A(Human)
University of Pavia

LigandPNGBDBM10774(rasagiline analog | N-propargylaminoindan (R)19b |...)
Affinity DataKi:  2.95E+5nM ΔG°:  -4.81kcal/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 Depth
Date in BDB:
9/12/2006
Entry Details Article
PubMed
TargetAmine oxidase [flavin-containing] B(Human)
University of Pavia

LigandPNGBDBM10774(rasagiline analog | N-propargylaminoindan (R)19b |...)
Affinity DataKi:  1.37E+5nM ΔG°:  -5.27kcal/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 Depth
Date in BDB:
9/12/2006
Entry Details Article
PubMed