BDBM13029 3-(fluoromethyl)-N-methyl-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide::7-sulfonamide-THIQ 19::CHEMBL120975

SMILES CNS(=O)(=O)c1ccc2CC(CF)NCc2c1

InChI Key InChIKey=ZUWHVOMCHOIDKQ-UHFFFAOYSA-N

Data  3 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 3 hits for monomerid = 13029   

TargetPhenylethanolamine N-methyltransferase(Bovine)
University of Kansas

Curated by ChEMBL
LigandPNGBDBM13029(3-(fluoromethyl)-N-methyl-1,2,3,4-tetrahydroisoqui...)
Affinity DataKi:  2.40E+3nMAssay Description:Affinity for bovine Phenylethanolamine N-MethyltransferaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetPhenylethanolamine N-methyltransferase(Human)
University of Kansas

Curated by ChEMBL
LigandPNGBDBM13029(3-(fluoromethyl)-N-methyl-1,2,3,4-tetrahydroisoqui...)
Affinity DataKi:  3.70E+3nMAssay Description:Inhibition of [3H]methyl-AdoMet binding to human phenylethanolamine N-methyl-transferase expressed in Escherichia coli BL21More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetPhenylethanolamine N-methyltransferase(Human)
University of Kansas

Curated by ChEMBL
LigandPNGBDBM13029(3-(fluoromethyl)-N-methyl-1,2,3,4-tetrahydroisoqui...)
Affinity DataKi:  3.70E+3nM ΔG°:  -7.70kcal/molepH: 8.0 T: 2°CAssay Description:Enzyme activity is determined by measuring the amount of 3H incorporated into the substrate during the reaction. AdoMet/[methyl-3H]AdoMet serves as a...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/9/2007
Entry Details Article
PubMed