BDBM13041 3-(fluoromethyl)-7-methanesulfonyl-1,2,3,4-tetrahydroisoquinoline::7-sulfonyl-THIQ 31::CHEMBL333578

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

InChI Key InChIKey=SQNBJAXUYRWSKN-UHFFFAOYSA-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 = 13041   

TargetPhenylethanolamine N-methyltransferase(Homo sapiens (Human))
University of Kansas

LigandPNGBDBM13041(3-(fluoromethyl)-7-methanesulfonyl-1,2,3,4-tetrahy...)
Affinity DataKi:  1.10E+3nM ΔG°:  -8.45kcal/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 DepthDetails ArticlePubMed
TargetPhenylethanolamine N-methyltransferase(Bos taurus (bovine))
University Of Kansas

Curated by ChEMBL
LigandPNGBDBM13041(3-(fluoromethyl)-7-methanesulfonyl-1,2,3,4-tetrahy...)
Affinity DataKi:  1.60E+3nMAssay Description:Affinity for bovine Phenylethanolamine N-MethyltransferaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed