BDBM50217583 CHEMBL235794::N-methyl(2-(4-(methylthio)phenoxy)-4-(4-morpholinobut-1-ynyl)phenyl)methanamine

SMILES CNCc1ccc(cc1Oc1ccc(SC)cc1)C#CCCN1CCOCC1

InChI Key InChIKey=OARTTZNTSJLCDS-UHFFFAOYSA-N

Data  3 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50217583   

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

Curated by ChEMBL
LigandPNGBDBM50217583(N-methyl(2-(4-(methylthio)phenoxy)-4-(4-morpholino...)
Affinity DataKi:  1.80nMAssay 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
LigandPNGBDBM50217583(N-methyl(2-(4-(methylthio)phenoxy)-4-(4-morpholino...)
Affinity DataKi:  3.40nMAssay 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
LigandPNGBDBM50217583(N-methyl(2-(4-(methylthio)phenoxy)-4-(4-morpholino...)
Affinity DataKi:  423nMAssay 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