BDBM13016 1,2,3,4-tetrahydroisoquinoline::CHEMBL14346::THIQ 6::tetrahydroisoquinoline

SMILES c1ccc2c(c1)CCNC2

InChI Key InChIKey=UWYZHKAOTLEWKK-UHFFFAOYSA-N

Data  20 KI  1 IC50  2 Kd

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 23 hits for monomerid = 13016   

TargetCD44 antigen(Human)
University of Minnesota

Curated by ChEMBL
LigandPNGBDBM13016(1,2,3,4-tetrahydroisoquinoline | THIQ 6 | tetrahyd...)
Affinity DataKd:  6.90E+6nMAssay Description:Binding affinity to immobilized recombinant human CD44 hyaluronan binding domain by surface plasmon resonance assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/8/2015
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCD44 antigen(Mouse)
University of Minnesota

Curated by ChEMBL
LigandPNGBDBM13016(1,2,3,4-tetrahydroisoquinoline | THIQ 6 | tetrahyd...)
Affinity DataKd:  1.12E+7nMAssay Description:Binding affinity to immobilized recombinant mouse CD44 hyaluronan binding domain by surface plasmon resonance assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/8/2015
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCD44 antigen(Human)
University of Minnesota

Curated by ChEMBL
LigandPNGBDBM13016(1,2,3,4-tetrahydroisoquinoline | THIQ 6 | tetrahyd...)
Affinity DataIC50: 2.70E+7nMAssay Description:Inhibition of recombinant human hyaluronan binding domain of CD44 binding to immobilized polymeric hyaluronan by surface plasmon resonance assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/8/2015
Entry Details Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM13016(1,2,3,4-tetrahydroisoquinoline | THIQ 6 | tetrahyd...)
Affinity DataKi:  1.58E+3nMAssay 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
TargetPhenylethanolamine N-methyltransferase(Bovine)
The University of Kansas

Curated by ChEMBL
LigandPNGBDBM13016(1,2,3,4-tetrahydroisoquinoline | THIQ 6 | tetrahyd...)
Affinity DataKi:  5.00E+3nMAssay Description:Inhibition of bovine PNMT by radiochemical assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/11/2009
Entry Details Article
PubMed
TargetPhenylethanolamine N-methyltransferase(Human)
University of Kansas

Curated by ChEMBL
LigandPNGBDBM13016(1,2,3,4-tetrahydroisoquinoline | THIQ 6 | tetrahyd...)
Affinity DataKi:  5.80E+3nMAssay Description:Binding affinity to human PNMTMore 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
LigandPNGBDBM13016(1,2,3,4-tetrahydroisoquinoline | THIQ 6 | tetrahyd...)
Affinity DataKi:  5.80E+3nM ΔG°:  -7.43kcal/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)
The University of Kansas

Curated by ChEMBL
LigandPNGBDBM13016(1,2,3,4-tetrahydroisoquinoline | THIQ 6 | tetrahyd...)
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(Bovine)
The University of Kansas

Curated by ChEMBL
LigandPNGBDBM13016(1,2,3,4-tetrahydroisoquinoline | THIQ 6 | tetrahyd...)
Affinity DataKi:  9.67E+3nMAssay Description:In vitro for inhibition of Phenylethanolamine N-Methyltransferase (PNMT)More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetPhenylethanolamine N-methyltransferase(Bovine)
The University of Kansas

Curated by ChEMBL
LigandPNGBDBM13016(1,2,3,4-tetrahydroisoquinoline | THIQ 6 | tetrahyd...)
Affinity DataKi:  9.70E+3nMAssay Description:In vitro inhibitory activity against bovine adrenal phenylethanolamine N-methyltransferase(PNMT)More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2012
Entry Details Article
PubMed
TargetPhenylethanolamine N-methyltransferase(Bovine)
The University of Kansas

Curated by ChEMBL
LigandPNGBDBM13016(1,2,3,4-tetrahydroisoquinoline | THIQ 6 | tetrahyd...)
Affinity DataKi:  9.70E+3nMAssay Description:Inhibitory constant against bovine phenylethanolamine N-methyl-transferaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/3/2012
Entry Details Article
PubMed
TargetPhenylethanolamine N-methyltransferase(Bovine)
The University of Kansas

Curated by ChEMBL
LigandPNGBDBM13016(1,2,3,4-tetrahydroisoquinoline | THIQ 6 | tetrahyd...)
Affinity DataKi:  1.00E+4nMAssay Description:Inhibition of PNMT (Phenylethanolamine N-Methyltransferase) in vitro More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetPhenylethanolamine N-methyltransferase(Bovine)
The University of Kansas

Curated by ChEMBL
LigandPNGBDBM13016(1,2,3,4-tetrahydroisoquinoline | THIQ 6 | tetrahyd...)
Affinity DataKi:  1.00E+4nMAssay Description:In vitro inhibition of PNMT (Phenylethanolamine N-Methyltransferase).More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetPhenylethanolamine N-methyltransferase(Bovine)
The University of Kansas

Curated by ChEMBL
LigandPNGBDBM13016(1,2,3,4-tetrahydroisoquinoline | THIQ 6 | tetrahyd...)
Affinity DataKi:  1.00E+4nMAssay Description:In vitro inhibitory activity against bovine adrenal phenylethanolamine N-methyl transferaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetPhenylethanolamine N-methyltransferase(Bovine)
The University of Kansas

Curated by ChEMBL
LigandPNGBDBM13016(1,2,3,4-tetrahydroisoquinoline | THIQ 6 | tetrahyd...)
Affinity DataKi:  1.00E+4nMAssay Description:Binding affinity to phenylethanolamine N-methyltransferase(PNMT) in bovineMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetPhenylethanolamine N-methyltransferase(Bovine)
The University of Kansas

Curated by ChEMBL
LigandPNGBDBM13016(1,2,3,4-tetrahydroisoquinoline | THIQ 6 | tetrahyd...)
Affinity DataKi:  1.03E+4nMAssay Description:In vitro inhibition of bovine phenylethylamine N-methyl-transferase (PNMT) using radiochemical assay.More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/15/2012
Entry Details Article
PubMed
TargetPhenylethanolamine N-methyltransferase(Bovine)
The University of Kansas

Curated by ChEMBL
LigandPNGBDBM13016(1,2,3,4-tetrahydroisoquinoline | THIQ 6 | tetrahyd...)
Affinity DataKi:  1.03E+4nMAssay Description:Inhibition of phenylethanolamine N-methyl-transferase (PNMT)More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/16/2012
Entry Details Article
PubMed
TargetPhenylethanolamine N-methyltransferase(Bovine)
The University of Kansas

Curated by ChEMBL
LigandPNGBDBM13016(1,2,3,4-tetrahydroisoquinoline | THIQ 6 | tetrahyd...)
Affinity DataKi:  1.03E+4nMAssay Description:In vitro inhibitory activity measured against bovine adrenal phenylethanolamine N-methyltransferase(PNMT)More 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
LigandPNGBDBM13016(1,2,3,4-tetrahydroisoquinoline | THIQ 6 | tetrahyd...)
Affinity DataKi:  1.50E+4nMAssay Description:Inhibitory constant against human phenylethanolamine N-methyl-transferase over-expressed in Escherichia coliMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/3/2012
Entry Details Article
PubMed
TargetAmine oxidase [flavin-containing] B(Human)
University of Texas

Curated by ChEMBL
LigandPNGBDBM13016(1,2,3,4-tetrahydroisoquinoline | THIQ 6 | tetrahyd...)
Affinity DataKi:  1.50E+4nMAssay Description:Compounds were tested for inhibition against human liver Monoamine oxidase B (competitive inhibition was observed)More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/19/2012
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 1A(Rat)
Polish Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM13016(1,2,3,4-tetrahydroisoquinoline | THIQ 6 | tetrahyd...)
Affinity DataKi: >5.00E+4nMAssay Description:Binding affinity towards 5-hydroxytryptamine 1A receptor in the rat brain (hippocampus) using [3H]8-OH-DPATMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetAmine oxidase [flavin-containing] A(Human)
University of Texas

Curated by ChEMBL
LigandPNGBDBM13016(1,2,3,4-tetrahydroisoquinoline | THIQ 6 | tetrahyd...)
Affinity DataKi:  2.10E+5nMAssay Description:Compound was tested for inhibition against human placental Monoamine oxidase A (competitive inhibition was observed)More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/19/2012
Entry Details Article
PubMed
TargetNicotinamide N-methyltransferase(Human)
Utrecht University

LigandPNGBDBM13016(1,2,3,4-tetrahydroisoquinoline | THIQ 6 | tetrahyd...)
Affinity DataKi:  4.70E+7nM ΔG°:  -1.88kcal/molepH: 8.6 T: 2°CAssay Description:Enzyme activity assays were performed as previously described with NNMT (16.25 ug/mL, 550 nM) in 50 mM Tris buffer (pH 8.6) containing 1 mM DTT (all ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/18/2016
Entry Details Article
PubMed