BDBM50220528 2-methyl-4-(4-(methylthio)phenyl)-7-(4-(piperidin-1-ylmethyl)pyridin-2-yloxy)-1,2,3,4-tetrahydroisoquinoline::CHEMBL236784

SMILES CSc1ccc(cc1)C1CN(C)Cc2cc(Oc3cc(CN4CCCCC4)ccn3)ccc12

InChI Key InChIKey=AWKILERFBATDPB-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 = 50220528   

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

Curated by ChEMBL
LigandPNGBDBM50220528(2-methyl-4-(4-(methylthio)phenyl)-7-(4-(piperidin-...)
Affinity DataKi:  2.40nMAssay Description:Binding affinity at human SERTMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetSodium-dependent serotonin transporter(Rat)
Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL
LigandPNGBDBM50220528(2-methyl-4-(4-(methylthio)phenyl)-7-(4-(piperidin-...)
Affinity DataKi:  8.70nMAssay Description:Binding affinity at 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 and Development

Curated by ChEMBL
LigandPNGBDBM50220528(2-methyl-4-(4-(methylthio)phenyl)-7-(4-(piperidin-...)
Affinity DataKi:  34.3nMAssay Description:Binding affinity at human histamine H3More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed