BDBM13030 7-sulfonamide-THIQ 20::CHEMBL177861::N-ethyl-3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide

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

InChI Key InChIKey=UKWVXNMBQJTJOS-UHFFFAOYSA-N

Data  5 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 13030   

TargetPhenylethanolamine N-methyltransferase(Human)
University of Kansas

Curated by ChEMBL
LigandPNGBDBM13030(CHEMBL177861 | N-ethyl-3-(fluoromethyl)-1,2,3,4-te...)
Affinity DataKi:  1.40E+3nMAssay Description:In vitro binding affinity against recombinant human Phenylethanolamine N-methyl-transferase expressed in Escherichia coli using [methyl-3H]-AdoMetMore 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
LigandPNGBDBM13030(CHEMBL177861 | N-ethyl-3-(fluoromethyl)-1,2,3,4-te...)
Affinity DataKi:  1.40E+3nMAssay Description:In vitro binding affinity against human 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
LigandPNGBDBM13030(CHEMBL177861 | N-ethyl-3-(fluoromethyl)-1,2,3,4-te...)
Affinity DataKi:  1.40E+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
LigandPNGBDBM13030(CHEMBL177861 | N-ethyl-3-(fluoromethyl)-1,2,3,4-te...)
Affinity DataKi:  1.40E+3nM ΔG°:  -8.30kcal/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
TargetAlpha-2A adrenergic receptor [16-465](Rat)
University of Kansas

Curated by ChEMBL
LigandPNGBDBM13030(CHEMBL177861 | N-ethyl-3-(fluoromethyl)-1,2,3,4-te...)
Affinity DataKi:  5.50E+5nMAssay Description:In vitro binding affinity against rat Alpha-2 adrenergic receptor using [3H]clonidineMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed