BDBM50136680 CHEMBL424660::N-methyl-3-(1-naphthyloxy)-3-(2-thienyl)propan-1-amine::N-methyl-3-(naphthalen-1-yloxy)-3-(2-thienyl)propan-1-amine::duloxetine

SMILES CNCC[C@@H](c1cccs1)Oc2cccc3c2cccc3

InChI Key InChIKey=ZEUITGRIYCTCEM-UHFFFAOYSA-N

Data  14 KI

PDB links: 3 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 50136680   

TargetSodium-dependent serotonin transporter(Human)
Emory University

Curated by PDSP Ki Database
LigandPNGBDBM50136680(CHEMBL424660 | N-methyl-3-(1-naphthyloxy)-3-(2-thi...)
Affinity DataKi:  0.0700nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/29/2012
Entry Details Article
PubMed
TargetSodium-dependent serotonin transporter(Human)
Emory University

Curated by PDSP Ki Database
LigandPNGBDBM50136680(CHEMBL424660 | N-methyl-3-(1-naphthyloxy)-3-(2-thi...)
Affinity DataKi:  0.800nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/29/2012
Entry Details Article
PubMed
TargetSodium-dependent noradrenaline transporter(Human)
Emory University

Curated by PDSP Ki Database
LigandPNGBDBM50136680(CHEMBL424660 | N-methyl-3-(1-naphthyloxy)-3-(2-thi...)
Affinity DataKi:  1.17nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/29/2012
Entry Details Article
PubMed
TargetSodium-dependent serotonin transporter(Human)
Emory University

Curated by PDSP Ki Database
LigandPNGBDBM50136680(CHEMBL424660 | N-methyl-3-(1-naphthyloxy)-3-(2-thi...)
Affinity DataKi:  1.40nMAssay Description:Binding affinity to serotonin transporter, using [3H]citalopram as radioligandMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetSodium-dependent serotonin transporter(Human)
Emory University

Curated by PDSP Ki Database
LigandPNGBDBM50136680(CHEMBL424660 | N-methyl-3-(1-naphthyloxy)-3-(2-thi...)
Affinity DataKi:  3.70nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/29/2012
Entry Details Article
PubMed
TargetSodium-dependent serotonin transporter(Human)
Emory University

Curated by PDSP Ki Database
LigandPNGBDBM50136680(CHEMBL424660 | N-methyl-3-(1-naphthyloxy)-3-(2-thi...)
In Depth
Date in BDB:
6/12/2012
Entry Details Article
PubMed
TargetSodium-dependent noradrenaline transporter(Human)
Emory University

Curated by PDSP Ki Database
LigandPNGBDBM50136680(CHEMBL424660 | N-methyl-3-(1-naphthyloxy)-3-(2-thi...)
Affinity DataKi:  7.5nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/29/2012
Entry Details Article
PubMed
TargetSodium-dependent noradrenaline transporter(Human)
Emory University

Curated by PDSP Ki Database
LigandPNGBDBM50136680(CHEMBL424660 | N-methyl-3-(1-naphthyloxy)-3-(2-thi...)
Affinity DataKi:  20nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/29/2012
Entry Details Article
PubMed
TargetSodium-dependent noradrenaline transporter(Human)
Emory University

Curated by PDSP Ki Database
LigandPNGBDBM50136680(CHEMBL424660 | N-methyl-3-(1-naphthyloxy)-3-(2-thi...)
Affinity DataKi:  20nMAssay Description:Inhibition of [3H]nisoxetine binding to norepinephrine (NE) transporterMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetSodium-dependent noradrenaline transporter(Human)
Emory University

Curated by PDSP Ki Database
LigandPNGBDBM50136680(CHEMBL424660 | N-methyl-3-(1-naphthyloxy)-3-(2-thi...)
Affinity DataKi:  45nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/12/2012
Entry Details Article
PubMed
TargetSodium-dependent dopamine transporter(Human)
Emory University

Curated by PDSP Ki Database
LigandPNGBDBM50136680(CHEMBL424660 | N-methyl-3-(1-naphthyloxy)-3-(2-thi...)
Affinity DataKi:  230nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/29/2012
Entry Details Article
PubMed
TargetSodium-dependent dopamine transporter(Human)
Emory University

Curated by PDSP Ki Database
LigandPNGBDBM50136680(CHEMBL424660 | N-methyl-3-(1-naphthyloxy)-3-(2-thi...)
Affinity DataKi:  240nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/29/2012
Entry Details Article
PubMed
TargetSodium-dependent dopamine transporter(Human)
Emory University

Curated by PDSP Ki Database
LigandPNGBDBM50136680(CHEMBL424660 | N-methyl-3-(1-naphthyloxy)-3-(2-thi...)
Affinity DataKi:  435nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/12/2012
Entry Details Article
PubMed
TargetSodium-dependent dopamine transporter(Human)
Emory University

Curated by PDSP Ki Database
LigandPNGBDBM50136680(CHEMBL424660 | N-methyl-3-(1-naphthyloxy)-3-(2-thi...)
Affinity DataKi:  439nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/29/2012
Entry Details Article
PubMed