BDBM50151343 (+)-3-(fluoromethyl)-7-(thiomorpholinosulfonyl)-1,2,3,4-tetrahydroisoquinoline::3-Fluoromethyl-7-(thiomorpholine-4-sulfonyl)-1,2,3,4-tetrahydro-isoquinoline::CHEMBL355581

SMILES c1cc2c(cc1S(=O)(=O)N3CCSCC3)CN[C@H](C2)CF

InChI Key InChIKey=SBUKSNPHYWXCDG-UHFFFAOYSA-N

Data  5 KI

PDB links: 2 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50151343   

TargetPhenylethanolamine N-methyltransferase(Human)
University of Queensland

Curated by ChEMBL
LigandPNGBDBM50151343((+)-3-(fluoromethyl)-7-(thiomorpholinosulfonyl)-1,...)
Affinity DataKi:  315nMAssay Description:Inhibition of wild type human PNMTMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetPhenylethanolamine N-methyltransferase(Human)
University of Queensland

Curated by ChEMBL
LigandPNGBDBM50151343((+)-3-(fluoromethyl)-7-(thiomorpholinosulfonyl)-1,...)
Affinity DataKi:  1.20E+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
PubMedPDB3D3D Structure (crystal)
TargetPhenylethanolamine N-methyltransferase(Human)
University of Queensland

Curated by ChEMBL
LigandPNGBDBM50151343((+)-3-(fluoromethyl)-7-(thiomorpholinosulfonyl)-1,...)
Affinity DataKi:  1.20E+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
PubMedPDB3D3D Structure (crystal)
TargetPhenylethanolamine N-methyltransferase(Human)
University of Queensland

Curated by ChEMBL
LigandPNGBDBM50151343((+)-3-(fluoromethyl)-7-(thiomorpholinosulfonyl)-1,...)
Affinity DataKi:  1.20E+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
PubMedPDB3D3D Structure (crystal)
TargetAlpha-2A adrenergic receptor [16-465](Rat)
University of Kansas

Curated by ChEMBL
LigandPNGBDBM50151343((+)-3-(fluoromethyl)-7-(thiomorpholinosulfonyl)-1,...)
Affinity DataKi:  1.90E+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