BDBM13014 7,8-Dichloro-1,2,3,4-tetrahydro-isoquinoline; hydrochloride::7,8-dichloro-1,2,3,4-tetrahydroisoquinoline::CHEMBL287837::CHEMBL541797::SKF 64139::tetrahydroisoquinoline (THIQ) analogue

SMILES Clc1ccc2CCNCc2c1Cl

InChI Key InChIKey=WFPUBEDBBOGGIQ-UHFFFAOYSA-N

Data  23 KI  4 IC50

PDB links: 1 PDB ID matches this monomer.

  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 27 hits for monomerid = 13014   

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

Curated by ChEMBL
LigandPNGBDBM13014(7,8-Dichloro-1,2,3,4-tetrahydro-isoquinoline; hydr...)
Affinity DataKi:  1.55nMAssay Description:Binding affinity to human wild type his-tagged PNMTMore data for this Ligand-Target Pair
TargetPhenylethanolamine N-methyltransferase(Homo sapiens (Human))
University Of Michigan

Curated by ChEMBL
LigandPNGBDBM13014(7,8-Dichloro-1,2,3,4-tetrahydro-isoquinoline; hydr...)
Affinity DataKi:  3nMAssay Description:Binding affinity for phenylethanolamine N-methyl-transferase was determined.More data for this Ligand-Target Pair
TargetPhenylethanolamine N-methyltransferase(Homo sapiens (Human))
University Of Michigan

Curated by ChEMBL
LigandPNGBDBM13014(7,8-Dichloro-1,2,3,4-tetrahydro-isoquinoline; hydr...)
Affinity DataKi:  3nMAssay Description:Dissociation constant(Ki) of compound was determined to measure PNMT-inhibitory potencyMore data for this Ligand-Target Pair
TargetPhenylethanolamine N-methyltransferase(Bos taurus (bovine))
The University Of Kansas

Curated by ChEMBL
LigandPNGBDBM13014(7,8-Dichloro-1,2,3,4-tetrahydro-isoquinoline; hydr...)
Affinity DataKi:  3.10nMAssay Description:Inhibition of bovine PNMT by radiochemical assayMore data for this Ligand-Target Pair
TargetPhenylethanolamine N-methyltransferase(Homo sapiens (Human))
University Of Michigan

Curated by ChEMBL
LigandPNGBDBM13014(7,8-Dichloro-1,2,3,4-tetrahydro-isoquinoline; hydr...)
Affinity DataKi:  3.10nMAssay Description:Inhibition of [3H]-methyl-AdoMet binding to human phenylethnolamine N-methyltransferase expressed in E. coli BL21More data for this Ligand-Target Pair
TargetPhenylethanolamine N-methyltransferase(Homo sapiens (Human))
University Of Michigan

Curated by ChEMBL
LigandPNGBDBM13014(7,8-Dichloro-1,2,3,4-tetrahydro-isoquinoline; hydr...)
Affinity DataKi:  3.10nM ΔG°:  -12.1kcal/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
TargetPhenylethanolamine N-methyltransferase(Homo sapiens (Human))
University Of Michigan

Curated by ChEMBL
LigandPNGBDBM13014(7,8-Dichloro-1,2,3,4-tetrahydro-isoquinoline; hydr...)
Affinity DataKi:  3.10nMAssay Description:In vitro binding affinity against human phenylethanolamine N-MethyltransferaseMore data for this Ligand-Target Pair
TargetPhenylethanolamine N-methyltransferase(Homo sapiens (Human))
University Of Michigan

Curated by ChEMBL
LigandPNGBDBM13014(7,8-Dichloro-1,2,3,4-tetrahydro-isoquinoline; hydr...)
Affinity DataKi:  3.10nMAssay Description:Inhibitory activity against human PNMTMore data for this Ligand-Target Pair
TargetPhenylethanolamine N-methyltransferase(Homo sapiens (Human))
University Of Michigan

Curated by ChEMBL
LigandPNGBDBM13014(7,8-Dichloro-1,2,3,4-tetrahydro-isoquinoline; hydr...)
Affinity DataKi:  3.10nMAssay Description:Binding affinity to human PNMTMore data for this Ligand-Target Pair
TargetPhenylethanolamine N-methyltransferase(Homo sapiens (Human))
University Of Michigan

Curated by ChEMBL
LigandPNGBDBM13014(7,8-Dichloro-1,2,3,4-tetrahydro-isoquinoline; hydr...)
Affinity DataKi:  3.10nMAssay Description:Inhibitory binding affinity for phenylethanolamine N-methyltransferase (PNMT)More data for this Ligand-Target Pair
TargetAlpha-2A adrenergic receptor [16-465](Rattus norvegicus (rat))
University Of Queensland

LigandPNGBDBM13014(7,8-Dichloro-1,2,3,4-tetrahydro-isoquinoline; hydr...)
Affinity DataKi:  21nM ΔG°:  -10.5kcal/molepH: 7.7 T: 2°CAssay Description:The binding affinity of compound was evaluated using [3H] Clonidine as ligand in competition binding experiments. Nonspecific binding was determined ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPhenylethanolamine N-methyltransferase(Bos taurus (bovine))
The University Of Kansas

Curated by ChEMBL
LigandPNGBDBM13014(7,8-Dichloro-1,2,3,4-tetrahydro-isoquinoline; hydr...)
Affinity DataKi:  200nMAssay Description:Inhibition of Phenylethanolamine N-methyltransferase (PNMT)More data for this Ligand-Target Pair
TargetPhenylethanolamine N-methyltransferase(Bos taurus (bovine))
The University Of Kansas

Curated by ChEMBL
LigandPNGBDBM13014(7,8-Dichloro-1,2,3,4-tetrahydro-isoquinoline; hydr...)
Affinity DataKi:  220nMAssay Description:Ability to inhibit phenylethanolamine N-methyltransferase (PNMT)More data for this Ligand-Target Pair
TargetPhenylethanolamine N-methyltransferase(Bos taurus (bovine))
The University Of Kansas

Curated by ChEMBL
LigandPNGBDBM13014(7,8-Dichloro-1,2,3,4-tetrahydro-isoquinoline; hydr...)
Affinity DataKi:  220nMAssay Description:Affinity for bovine Phenylethanolamine N-Methyltransferase (PNMT)More data for this Ligand-Target Pair
TargetPhenylethanolamine N-methyltransferase(Bos taurus (bovine))
The University Of Kansas

Curated by ChEMBL
LigandPNGBDBM13014(7,8-Dichloro-1,2,3,4-tetrahydro-isoquinoline; hydr...)
Affinity DataKi:  220nMAssay Description:Inhibition of PNMT (Phenylethanolamine N-Methyltransferase) in vitro More data for this Ligand-Target Pair
TargetPhenylethanolamine N-methyltransferase(Bos taurus (bovine))
The University Of Kansas

Curated by ChEMBL
LigandPNGBDBM13014(7,8-Dichloro-1,2,3,4-tetrahydro-isoquinoline; hydr...)
Affinity DataKi:  220nMAssay Description:In vitro inhibition of PNMT (Phenylethanolamine N-Methyltransferase).More data for this Ligand-Target Pair
TargetPhenylethanolamine N-methyltransferase(Bos taurus (bovine))
The University Of Kansas

Curated by ChEMBL
LigandPNGBDBM13014(7,8-Dichloro-1,2,3,4-tetrahydro-isoquinoline; hydr...)
Affinity DataKi:  220nM ΔG°:  -9.44kcal/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
TargetPhenylethanolamine N-methyltransferase(Bos taurus (bovine))
The University Of Kansas

Curated by ChEMBL
LigandPNGBDBM13014(7,8-Dichloro-1,2,3,4-tetrahydro-isoquinoline; hydr...)
Affinity DataKi:  220nMAssay Description:Inhibitory constant against bovine phenylethanolamine N-methyl-transferaseMore data for this Ligand-Target Pair
TargetPhenylethanolamine N-methyltransferase(Bos taurus (bovine))
The University Of Kansas

Curated by ChEMBL
LigandPNGBDBM13014(7,8-Dichloro-1,2,3,4-tetrahydro-isoquinoline; hydr...)
Affinity DataKi:  240nMAssay Description:In vitro inhibitory activity measured against bovine adrenal phenylethanolamine N-methyltransferase(PNMT)More data for this Ligand-Target Pair
TargetPhenylethanolamine N-methyltransferase(Homo sapiens (Human))
University Of Michigan

Curated by ChEMBL
LigandPNGBDBM13014(7,8-Dichloro-1,2,3,4-tetrahydro-isoquinoline; hydr...)
Affinity DataKi:  300nMAssay Description:Inhibitory constant against human phenylethanolamine N-methyl-transferase over-expressed in Escherichia coliMore data for this Ligand-Target Pair
LigandPNGBDBM13014(7,8-Dichloro-1,2,3,4-tetrahydro-isoquinoline; hydr...)
Affinity DataKi:  471nMAssay Description:Inhibition of [3H]clonidine binding to the rat alpha-2-adrenoceptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPhenylethanolamine N-methyltransferase(Bos taurus (bovine))
The University Of Kansas

Curated by ChEMBL
LigandPNGBDBM13014(7,8-Dichloro-1,2,3,4-tetrahydro-isoquinoline; hydr...)
Affinity DataKi:  1.24E+3nMAssay Description:Inhibitory activity against bovine adrenal phenylethanolamine N-methyl-transferase (PNMT)More data for this Ligand-Target Pair
TargetAlpha-2A adrenergic receptor(Homo sapiens (Human))
University Of Kansas

Curated by ChEMBL
LigandPNGBDBM13014(7,8-Dichloro-1,2,3,4-tetrahydro-isoquinoline; hydr...)
Affinity DataKi:  6.52E+3nMAssay Description:Binding affinity against human alpha 2A adrenergic receptor in CHO cells using [3H]-RX-821002 as radioligandMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPhenylethanolamine N-methyltransferase(Homo sapiens (Human))
University Of Michigan

Curated by ChEMBL
LigandPNGBDBM13014(7,8-Dichloro-1,2,3,4-tetrahydro-isoquinoline; hydr...)
Affinity DataIC50:  1.00E+4nMAssay Description:In vitro inhibitory activity against human phenylethanolamine N-methyl-transferaseMore data for this Ligand-Target Pair
TargetPhenylethanolamine N-methyltransferase(Homo sapiens (Human))
University Of Michigan

Curated by ChEMBL
LigandPNGBDBM13014(7,8-Dichloro-1,2,3,4-tetrahydro-isoquinoline; hydr...)
Affinity DataIC50:  10nMAssay Description:Dissociation constant(Ki) of compound was determined to measure PNMT-inhibitory potencyMore data for this Ligand-Target Pair
TargetPhenylethanolamine N-methyltransferase(Homo sapiens (Human))
University Of Michigan

Curated by ChEMBL
LigandPNGBDBM13014(7,8-Dichloro-1,2,3,4-tetrahydro-isoquinoline; hydr...)
Affinity DataIC50:  3nMAssay Description:Inhibition of PNMTMore data for this Ligand-Target Pair
TargetPhenylethanolamine N-methyltransferase(Homo sapiens (Human))
University Of Michigan

Curated by ChEMBL
LigandPNGBDBM13014(7,8-Dichloro-1,2,3,4-tetrahydro-isoquinoline; hydr...)
Affinity DataIC50:  10nMAssay Description:Inhibition of rabbit adrenal phenylethanolamine N-methyl-transferaseMore data for this Ligand-Target Pair