BDBM50217595 CHEMBL237317::N-methyl(2-(4-(methylthio)phenoxy)-5-(4-thiomorpholinobut-1-ynyl)phenyl)methanamine

SMILES CNCc1cc(ccc1Oc1ccc(SC)cc1)C#CCCN1CCSCC1

InChI Key InChIKey=KECSEMPMGDAAQZ-UHFFFAOYSA-N

Data  3 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50217595   

TargetSodium-dependent serotonin transporter(Rat)
Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL
LigandPNGBDBM50217595(N-methyl(2-(4-(methylthio)phenoxy)-5-(4-thiomorpho...)
Affinity DataKi:  0.900nMAssay Description:Binding affinity to rat SERTMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetSodium-dependent serotonin transporter(Human)
Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL
LigandPNGBDBM50217595(N-methyl(2-(4-(methylthio)phenoxy)-5-(4-thiomorpho...)
Affinity DataKi:  2.5nMAssay Description:Binding affinity to human SERTMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetHistamine H3 receptor(Human)
Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL
LigandPNGBDBM50217595(N-methyl(2-(4-(methylthio)phenoxy)-5-(4-thiomorpho...)
Affinity DataKi:  5.40nMAssay Description:Binding affinity to human histamine H3 receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed