BDBM50217582 CHEMBL237512::N-methyl-N-(4-(3-((methylamino)methyl)-4-(4-(methylthio)phenoxy)phenyl)but-3-ynyl)cyclopropanamine

SMILES CNCc1cc(ccc1Oc1ccc(SC)cc1)C#CCCN(C)C1CC1

InChI Key InChIKey=FWJKAQILVAFVQQ-UHFFFAOYSA-N

Data  5 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 5 hits for monomerid = 50217582   

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

Curated by ChEMBL
LigandPNGBDBM50217582(N-methyl-N-(4-(3-((methylamino)methyl)-4-(4-(methy...)
Affinity DataKi:  1.10nMAssay Description:Binding affinity to 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 & Development

Curated by ChEMBL
LigandPNGBDBM50217582(N-methyl-N-(4-(3-((methylamino)methyl)-4-(4-(methy...)
Affinity DataKi:  1.30nMAssay Description:Binding affinity to rat 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
LigandPNGBDBM50217582(N-methyl-N-(4-(3-((methylamino)methyl)-4-(4-(methy...)
Affinity DataKi:  6.10nMAssay 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
TargetSodium-dependent noradrenaline transporter(Human)
Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL
LigandPNGBDBM50217582(N-methyl-N-(4-(3-((methylamino)methyl)-4-(4-(methy...)
Affinity DataKi:  250nMAssay Description:Binding affinity to human NETMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetSodium-dependent dopamine transporter(Human)
Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL
LigandPNGBDBM50217582(N-methyl-N-(4-(3-((methylamino)methyl)-4-(4-(methy...)
Affinity DataKi:  400nMAssay Description:Binding affinity to human DATMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed