BDBM13026 3-(fluoromethyl)-N-(2,2,2-trifluoroethyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide::7-sulfonamide-THIQ 16::CHEMBL178695

SMILES FCC1Cc2ccc(cc2CN1)S(=O)(=O)NCC(F)(F)F

InChI Key InChIKey=GFLULHGGFBMVRA-UHFFFAOYSA-N

Data  5 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 5 hits for monomerid = 13026   

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

LigandPNGBDBM13026(3-(fluoromethyl)-N-(2,2,2-trifluoroethyl)-1,2,3,4-...)
Affinity DataKi:  130nM ΔG°:  -9.77kcal/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(Homo sapiens (Human))
University Of Kansas

LigandPNGBDBM13026(3-(fluoromethyl)-N-(2,2,2-trifluoroethyl)-1,2,3,4-...)
Affinity DataKi:  130nMAssay 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

LigandPNGBDBM13026(3-(fluoromethyl)-N-(2,2,2-trifluoroethyl)-1,2,3,4-...)
Affinity DataKi:  130nMAssay Description:In vitro binding affinity against recombinant human Phenylethanolamine N-methyltransferase expressed in E. coli using [methyl-3H]-AdoMetMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPhenylethanolamine N-methyltransferase(Homo sapiens (Human))
University Of Kansas

LigandPNGBDBM13026(3-(fluoromethyl)-N-(2,2,2-trifluoroethyl)-1,2,3,4-...)
Affinity DataKi:  130nMAssay Description:In vitro binding affinity against human phenylethanolamine N-MethyltransferaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAlpha-2A adrenergic receptor [16-465](Rattus norvegicus (rat))
University Of Kansas

Curated by ChEMBL
LigandPNGBDBM13026(3-(fluoromethyl)-N-(2,2,2-trifluoroethyl)-1,2,3,4-...)
Affinity DataKi:  1.20E+6nMAssay Description:In vitro binding affinity against rat Alpha-2 adrenergic receptor using [3H]-clonidineMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed