BDBM13032 3-(fluoromethyl)-N-(2-methoxyethyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide::7-sulfonamide-THIQ 22::CHEMBL184931

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

InChI Key InChIKey=LHCCAAULWCHZRM-UHFFFAOYSA-N

Data  2 KI

  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 2 hits for monomerid = 13032   

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

Curated by ChEMBL
LigandPNGBDBM13032(3-(fluoromethyl)-N-(2-methoxyethyl)-1,2,3,4-tetrah...)
Affinity DataKi:  5.10E+3nMAssay Description:Inhibition of [3H]-methyl-AdoMet binding to human phenylethnolamine N-methyltransferase expressed in E. coli BL21More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPhenylethanolamine N-methyltransferase(Homo sapiens (Human))
University Of Kansas

Curated by ChEMBL
LigandPNGBDBM13032(3-(fluoromethyl)-N-(2-methoxyethyl)-1,2,3,4-tetrah...)
Affinity DataKi:  5.10E+3nM ΔG°:  -7.51kcal/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