BDBM50217568 1-isopropyl-4-(4-(3-((methylamino)methyl)-4-(4-(methylthio)phenoxy)phenyl)but-3-ynyl)piperazin-2-one::CHEMBL393009

SMILES CNCc1cc(ccc1Oc1ccc(SC)cc1)C#CCCN1CCN(C(C)C)C(=O)C1

InChI Key InChIKey=UTVHDSOXYJJRDY-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 = 50217568   

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

Curated by ChEMBL
LigandPNGBDBM50217568(1-isopropyl-4-(4-(3-((methylamino)methyl)-4-(4-(me...)
Affinity DataKi:  1nMAssay 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
LigandPNGBDBM50217568(1-isopropyl-4-(4-(3-((methylamino)methyl)-4-(4-(me...)
Affinity DataKi:  1.20nMAssay 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
LigandPNGBDBM50217568(1-isopropyl-4-(4-(3-((methylamino)methyl)-4-(4-(me...)
Affinity DataKi:  1.87E+3nMAssay 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