BDBM13028 3-(fluoromethyl)-N-(3,3,3-trifluoropropyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide::7-sulfonamide-THIQ 18::CHEMBL177621

SMILES FCC1Cc2ccc(cc2CN1)S(=O)(=O)NCCC(F)(F)F

InChI Key InChIKey=BBUDQLKRZPRPFD-UHFFFAOYSA-N

Data  6 KI

PDB links: 1 PDB ID matches this monomer.

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 13028   

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

Curated by ChEMBL
LigandPNGBDBM13028(3-(fluoromethyl)-N-(3,3,3-trifluoropropyl)-1,2,3,4...)
Affinity DataKi:  35nMAssay Description:Inhibition of wild type human PNMTMore data for this Ligand-Target Pair
TargetPhenylethanolamine N-methyltransferase(Homo sapiens (Human))
University Of Queensland

Curated by ChEMBL
LigandPNGBDBM13028(3-(fluoromethyl)-N-(3,3,3-trifluoropropyl)-1,2,3,4...)
Affinity DataKi:  220nMAssay 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 Queensland

Curated by ChEMBL
LigandPNGBDBM13028(3-(fluoromethyl)-N-(3,3,3-trifluoropropyl)-1,2,3,4...)
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(Homo sapiens (Human))
University Of Queensland

Curated by ChEMBL
LigandPNGBDBM13028(3-(fluoromethyl)-N-(3,3,3-trifluoropropyl)-1,2,3,4...)
Affinity DataKi:  220nMAssay Description:In vitro binding affinity against human phenylethanolamine N-MethyltransferaseMore data for this Ligand-Target Pair
TargetPhenylethanolamine N-methyltransferase(Homo sapiens (Human))
University Of Queensland

Curated by ChEMBL
LigandPNGBDBM13028(3-(fluoromethyl)-N-(3,3,3-trifluoropropyl)-1,2,3,4...)
Affinity DataKi:  220nMAssay Description:In vitro binding affinity against recombinant human Phenylethanolamine N-methyltransferase expressed in E. coli using [methyl-3H]-AdoMetMore data for this Ligand-Target Pair
TargetAlpha-2A adrenergic receptor [16-465](Rattus norvegicus (rat))
University Of Kansas

Curated by ChEMBL
LigandPNGBDBM13028(3-(fluoromethyl)-N-(3,3,3-trifluoropropyl)-1,2,3,4...)
Affinity DataKi:  6.60E+5nMAssay Description:In vitro binding affinity against rat Alpha-2 adrenergic receptor using [3H]-clonidineMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed