BDBM50338990 1-(3,4-dimethoxyphenethyl)-4-(3-phenylpropyl)piperazine::CHEMBL2311153::CHEMBL408867::N-phenylpropyl-N''-3,4-dimethoxyphenethyl piperazine

SMILES COc1ccc(CCN2CCN(CCCc3ccccc3)CC2)cc1OC

InChI Key InChIKey=UVSWWUWQVAQPJR-UHFFFAOYSA-N

Data  20 KI  1 IC50

  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 21 hits for monomerid = 50338990   

TargetSigma non-opioid intracellular receptor 1(Guinea pig)
Soochow University

Curated by ChEMBL
LigandPNGBDBM50338990(CHEMBL2311153 | N-phenylpropyl-N''-3,4-dimethoxyph...)
Affinity DataIC50: 17nMAssay Description:Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membranes by scintillation counting methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/27/2022
Entry Details Article
PubMed
Target3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase(Human)
Key Laboratory of Radiopharmaceuticals (Beijing Normal University)

Curated by ChEMBL
LigandPNGBDBM50338990(CHEMBL2311153 | N-phenylpropyl-N''-3,4-dimethoxyph...)
Affinity DataKi:  1.70nMAssay Description:Binding affinity to emopamil binding proteinMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/4/2011
Entry Details Article
PubMed
Target3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase(Human)
Key Laboratory of Radiopharmaceuticals (Beijing Normal University)

Curated by ChEMBL
LigandPNGBDBM50338990(CHEMBL2311153 | N-phenylpropyl-N''-3,4-dimethoxyph...)
Affinity DataKi:  1.70nMAssay Description:Binding affinity to EBPMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/22/2012
Entry Details Article
PubMed
Target3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase(Human)
Key Laboratory of Radiopharmaceuticals (Beijing Normal University)

Curated by ChEMBL
LigandPNGBDBM50338990(CHEMBL2311153 | N-phenylpropyl-N''-3,4-dimethoxyph...)
Affinity DataKi:  1.70nMAssay Description:Binding affinity to EBPMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
Target3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase(Human)
Key Laboratory of Radiopharmaceuticals (Beijing Normal University)

Curated by ChEMBL
LigandPNGBDBM50338990(CHEMBL2311153 | N-phenylpropyl-N''-3,4-dimethoxyph...)
Affinity DataKi:  1.70nMAssay Description:Binding affinity to EBP (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMed
TargetSigma non-opioid intracellular receptor 1(Human)
Helmholtz-Zentrum Dresden-Rossendor

Curated by ChEMBL
LigandPNGBDBM50338990(CHEMBL2311153 | N-phenylpropyl-N''-3,4-dimethoxyph...)
Affinity DataKi:  3.80nMAssay Description:Displacement of [3H]pentazocine from human sigma 1 receptor expressed in HEK293 cell membrane incubated for 2 hrs by liquid scintillation counting me...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/28/2022
Entry Details Article
PubMed
TargetSigma non-opioid intracellular receptor 1(Guinea pig)
Soochow University

Curated by ChEMBL
LigandPNGBDBM50338990(CHEMBL2311153 | N-phenylpropyl-N''-3,4-dimethoxyph...)
Affinity DataKi:  4.34nMAssay Description:Displacement of [3H]-(+)-pentazocine from Sigma1-receptor in guinea pig brain membraneMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/24/2011
Entry Details Article
PubMed
TargetSigma non-opioid intracellular receptor 1(Guinea pig)
Soochow University

Curated by ChEMBL
LigandPNGBDBM50338990(CHEMBL2311153 | N-phenylpropyl-N''-3,4-dimethoxyph...)
Affinity DataKi:  4.34nMAssay Description:Displacement of [3H](+)-PTZ from sigma1 receptor in Hartley guinea pig brainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2012
Entry Details Article
PubMed
TargetSigma non-opioid intracellular receptor 1(Guinea pig)
Soochow University

Curated by ChEMBL
LigandPNGBDBM50338990(CHEMBL2311153 | N-phenylpropyl-N''-3,4-dimethoxyph...)
Affinity DataKi:  4.40nMAssay Description:Displacement of (+)-[3H]pentazocine from sigma 1 receptor in guinea pig brain membrane homogenates after 90 mins by liquid scintillation countingMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2012
Entry Details Article
PubMed
TargetSigma non-opioid intracellular receptor 1(Human)
Helmholtz-Zentrum Dresden-Rossendor

Curated by ChEMBL
LigandPNGBDBM50338990(CHEMBL2311153 | N-phenylpropyl-N''-3,4-dimethoxyph...)
Affinity DataKi:  4.40nMAssay Description:Binding affinity to human brain sigma1 receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMed
TargetSigma non-opioid intracellular receptor 1(Human)
Helmholtz-Zentrum Dresden-Rossendor

Curated by ChEMBL
LigandPNGBDBM50338990(CHEMBL2311153 | N-phenylpropyl-N''-3,4-dimethoxyph...)
Affinity DataKi:  4.60nMAssay Description:Binding affinity to sigma 1 receptor (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/18/2024
Entry Details
PubMed
TargetSigma non-opioid intracellular receptor 1(Human)
Helmholtz-Zentrum Dresden-Rossendor

Curated by ChEMBL
LigandPNGBDBM50338990(CHEMBL2311153 | N-phenylpropyl-N''-3,4-dimethoxyph...)
Affinity DataKi:  4.60nMAssay Description:Binding affinity to sigma 1 receptor (unknown origin) assessed as inhibition constantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed
TargetSigma non-opioid intracellular receptor 1(Guinea pig)
Soochow University

Curated by ChEMBL
LigandPNGBDBM50338990(CHEMBL2311153 | N-phenylpropyl-N''-3,4-dimethoxyph...)
Affinity DataKi:  4.60nMAssay Description:Binding affinity to sigma1 receptor in guinea pig brain homogenateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/8/2013
Entry Details Article
PubMed
TargetSigma non-opioid intracellular receptor 1(Rat)
The University of Sydney

Curated by ChEMBL
LigandPNGBDBM50338990(CHEMBL2311153 | N-phenylpropyl-N''-3,4-dimethoxyph...)
Affinity DataKi:  4.60nMAssay Description:Displacement of [3H](+)-pentazocine from rat brain sigma1 receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetSigma non-opioid intracellular receptor 1(Guinea pig)
Soochow University

Curated by ChEMBL
LigandPNGBDBM50338990(CHEMBL2311153 | N-phenylpropyl-N''-3,4-dimethoxyph...)
Affinity DataKi:  4.60nMAssay Description:Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membrane after 150 mins by scintillation counting analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/17/2016
Entry Details Article
PubMed
TargetSigma non-opioid intracellular receptor 1(Rat)
The University of Sydney

Curated by ChEMBL
LigandPNGBDBM50338990(CHEMBL2311153 | N-phenylpropyl-N''-3,4-dimethoxyph...)
Affinity DataKi:  14nMAssay Description:Displacement of (+)-[3H]pentazocine from sigma1 receptor in rat brain membranes after 60 mins by liquid scintillation counting methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/27/2020
Entry Details Article
PubMed
TargetVesicular acetylcholine transporter(Rat)
Key Laboratory of Radiopharmaceuticals Beijing Normal University

Curated by ChEMBL
LigandPNGBDBM50338990(CHEMBL2311153 | N-phenylpropyl-N''-3,4-dimethoxyph...)
Affinity DataKi:  50nMAssay Description:Binding affinity to rat VAChTMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMed
TargetSigma intracellular receptor 2(Rat)
Iqog, Csic

Curated by ChEMBL
LigandPNGBDBM50338990(CHEMBL2311153 | N-phenylpropyl-N''-3,4-dimethoxyph...)
Affinity DataKi:  62nMAssay Description:Displacement of [3H]DTG from sigma2 receptor in rat liver membranes after 60 mins by liquid scintillation counting methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/27/2020
Entry Details Article
PubMed
TargetSigma intracellular receptor 2(Human)
University of Pavia

Curated by ChEMBL
LigandPNGBDBM50338990(CHEMBL2311153 | N-phenylpropyl-N''-3,4-dimethoxyph...)
Affinity DataKi:  63nMAssay Description:Binding affinity to sigma 2 receptor (unknown origin) assessed as inhibition constantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed
TargetVesicular acetylcholine transporter(Rat)
Key Laboratory of Radiopharmaceuticals Beijing Normal University

Curated by ChEMBL
LigandPNGBDBM50338990(CHEMBL2311153 | N-phenylpropyl-N''-3,4-dimethoxyph...)
Affinity DataKi:  492nMAssay Description:Displacement of (-)-[3H]vesamicol from rat VAChT expressed in rat PC12 cell membranes after 60 mins by liquid scintillation counting methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/27/2020
Entry Details Article
PubMed
TargetSodium-dependent serotonin transporter(Mouse)
University of Missouri

Curated by ChEMBL
LigandPNGBDBM50338990(CHEMBL2311153 | N-phenylpropyl-N''-3,4-dimethoxyph...)
Affinity DataKi:  760nMAssay Description:Displacement of [3H]paroxetine from mouse SERT in whole brain membraneMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/17/2016
Entry Details Article
PubMed