BDBM14061 8,9-Dichloro-2,3,4,5-tetrahydro-1H-2-benzazepine::CHEMBL38681::LY134046::tetrahydrobenzazepine (THBA) deriv.

SMILES c1cc(c(c2c1CCCNC2)Cl)Cl

InChI Key InChIKey=IADAQXMUWITWNG-UHFFFAOYSA-N

Data  11 KI

PDB links: 1 PDB ID matches this monomer.

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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 14061   

TargetPhenylethanolamine N-methyltransferase(Human)
University of Michigan

Curated by ChEMBL
LigandPNGBDBM14061(8,9-Dichloro-2,3,4,5-tetrahydro-1H-2-benzazepine |...)
Affinity DataKi:  10nMAssay Description:Inhibitory binding affinity for phenylethanolamine N-methyl-transferase (PNMT)More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetPhenylethanolamine N-methyltransferase(Bovine)
University of Kansas

Curated by ChEMBL
LigandPNGBDBM14061(8,9-Dichloro-2,3,4,5-tetrahydro-1H-2-benzazepine |...)
Affinity DataKi:  220nMAssay 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)
University of Kansas

Curated by ChEMBL
LigandPNGBDBM14061(8,9-Dichloro-2,3,4,5-tetrahydro-1H-2-benzazepine |...)
Affinity DataKi:  260nM ΔG°:  -9.34kcal/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:
3/6/2007
Entry Details Article
PubMed
TargetPhenylethanolamine N-methyltransferase(Bovine)
University of Kansas

Curated by ChEMBL
LigandPNGBDBM14061(8,9-Dichloro-2,3,4,5-tetrahydro-1H-2-benzazepine |...)
Affinity DataKi:  260nMAssay 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)
University of Kansas

Curated by ChEMBL
LigandPNGBDBM14061(8,9-Dichloro-2,3,4,5-tetrahydro-1H-2-benzazepine |...)
Affinity DataKi:  260nMAssay Description:Affinity for bovine 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)
University of Kansas

Curated by ChEMBL
LigandPNGBDBM14061(8,9-Dichloro-2,3,4,5-tetrahydro-1H-2-benzazepine |...)
Affinity DataKi:  260nMAssay Description:Ability to inhibit phenylethanolamine N-methyl-transferase (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 Michigan

Curated by ChEMBL
LigandPNGBDBM14061(8,9-Dichloro-2,3,4,5-tetrahydro-1H-2-benzazepine |...)
Affinity DataKi:  280nMAssay 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
PubMedPDB3D3D Structure (crystal)
TargetPhenylethanolamine N-methyltransferase(Bovine)
University of Kansas

Curated by ChEMBL
LigandPNGBDBM14061(8,9-Dichloro-2,3,4,5-tetrahydro-1H-2-benzazepine |...)
Affinity DataKi:  1.39E+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 Michigan

Curated by ChEMBL
LigandPNGBDBM14061(8,9-Dichloro-2,3,4,5-tetrahydro-1H-2-benzazepine |...)
Affinity DataKi:  4.40E+3nMAssay Description:Binding affinity to human wild type his-tagged PNMTMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/10/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetAlpha-2A adrenergic receptor [16-465](Rat)
University of Queensland

LigandPNGBDBM14061(8,9-Dichloro-2,3,4,5-tetrahydro-1H-2-benzazepine |...)
Affinity DataKi:  4.50E+3nM ΔG°:  -7.29kcal/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 Depth
Date in BDB:
3/6/2007
Entry Details Article
PubMed
LigandPNGBDBM14061(8,9-Dichloro-2,3,4,5-tetrahydro-1H-2-benzazepine |...)
Affinity DataKi:  4.56E+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