BDBM13025 7-sulfonamide-THIQ 15::CHEMBL176112::N-(4-chlorophenyl)-3-(hydroxymethyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide

SMILES OCC1Cc2ccc(cc2CN1)S(=O)(=O)Nc1ccc(Cl)cc1

InChI Key InChIKey=YTBGBMPLINFTBQ-UHFFFAOYSA-N

Data  3 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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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 13025   

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

Curated by ChEMBL
LigandPNGBDBM13025(7-sulfonamide-THIQ 15 | CHEMBL176112 | N-(4-chloro...)
Affinity DataKi:  39nMAssay 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
LigandPNGBDBM13025(7-sulfonamide-THIQ 15 | CHEMBL176112 | N-(4-chloro...)
Affinity DataKi:  63nM ΔG°:  -10.2kcal/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
LigandPNGBDBM13025(7-sulfonamide-THIQ 15 | CHEMBL176112 | N-(4-chloro...)
Affinity DataKi:  63nMAssay Description:In vitro binding affinity against human phenylethanolamine N-MethyltransferaseMore data for this Ligand-Target Pair