BDBM13020 7-(prop-2-ene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinoline::7-sulfonyl-THIQ 10::CHEMBL280592

SMILES C=CCS(=O)(=O)c1ccc2CCNCc2c1

InChI Key InChIKey=NDEMHFPBEOKPIK-UHFFFAOYSA-N

Data  4 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 4 hits for monomerid = 13020   

TargetPhenylethanolamine N-methyltransferase(Bovine)
University of Kansas

Curated by ChEMBL
LigandPNGBDBM13020(CHEMBL280592 | 7-(prop-2-ene-1-sulfonyl)-1,2,3,4-t...)
Affinity DataKi:  6.67E+3nMAssay Description:Inhibitory activity against bovine adrenal phenylethanolamine N-methyl-transferase (PNMT)More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/19/2018
Entry Details Article
PubMed
TargetPhenylethanolamine N-methyltransferase(Human)
University of Kansas

LigandPNGBDBM13020(CHEMBL280592 | 7-(prop-2-ene-1-sulfonyl)-1,2,3,4-t...)
Affinity DataKi:  9.00E+3nM ΔG°:  -7.16kcal/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
TargetPhenylethanolamine N-methyltransferase(Bovine)
University of Kansas

Curated by ChEMBL
LigandPNGBDBM13020(CHEMBL280592 | 7-(prop-2-ene-1-sulfonyl)-1,2,3,4-t...)
Affinity DataKi:  9.80E+3nMAssay Description:In vitro inhibitory activity against bovine adrenal phenylethanolamine N-methyl-transferase (PNMT)More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2012
Entry Details Article
PubMed
LigandPNGBDBM13020(CHEMBL280592 | 7-(prop-2-ene-1-sulfonyl)-1,2,3,4-t...)
Affinity DataKi:  1.80E+4nMAssay Description:Inhibition of [3H]clonidine binding to the rat alpha-2-adrenoceptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/19/2018
Entry Details Article
PubMed