BDBM50170660 CHEMBL190883::CHEMBL521582::N,N-dipropyl-2-[4-methoxy-3-(2-phenylethoxy)phenyl]ethylamine::N-(4-methoxy-3-phenethoxyphenethyl)-N-propylpropan-1-amine::NE-100::[2-(4-Methoxy-3-phenethyloxy-phenyl)-ethyl]-dipropyl-amine

SMILES CCCN(CCC)CCc1ccc(OC)c(OCCc2ccccc2)c1

InChI Key InChIKey=YBLIQJGXRLZBCZ-UHFFFAOYSA-N

Data  12 KI  10 IC50  1 EC50

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 23 hits for monomerid = 50170660   

TargetD(1A) dopamine receptor(Human)
The University of Sydney

Curated by ChEMBL
LigandPNGBDBM50170660(CHEMBL521582 | [2-(4-Methoxy-3-phenethyloxy-phenyl...)
Affinity DataIC50: 1.00E+4nMAssay Description:Displacement of [3H]SCH233930 from human D1 receptor expressed in HEK cellsMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetSigma non-opioid intracellular receptor 1(Rat)
University of Bari Aldo Moro

Curated by ChEMBL
LigandPNGBDBM50170660(CHEMBL521582 | [2-(4-Methoxy-3-phenethyloxy-phenyl...)
Affinity DataEC50:  1.07E+4nMAssay Description:Antiproliferative activity mediated by sigma 1 receptor in rat C6 glioma cells by MTT assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetSigma non-opioid intracellular receptor 1(Human)
Taisho Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50170660(CHEMBL521582 | [2-(4-Methoxy-3-phenethyloxy-phenyl...)
Affinity DataIC50: 1.30nMAssay Description:In vitro binding affinity at Sigma opioid receptors on guinea pig brain membranes by [3H]3-PPP displacement.More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetD(2) dopamine receptor(Rat)
Taisho Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50170660(CHEMBL521582 | [2-(4-Methoxy-3-phenethyloxy-phenyl...)
Affinity DataIC50: 1.00E+3nMAssay Description:In vitro binding affinity at Dopamine receptor D2 of rat striatal membranes by [3H]-raclopride displacement.More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetSigma non-opioid intracellular receptor 1(Human)
Taisho Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50170660(CHEMBL521582 | [2-(4-Methoxy-3-phenethyloxy-phenyl...)
Affinity DataIC50: 85nMAssay Description:In vitro binding affinity at Sigma opioid receptor type 2 on guinea pig brain membranes by [3H]DTG displacement in the presence of [3H]pentazocine.More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetD(1A) dopamine receptor(Rat)
Taisho Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50170660(CHEMBL521582 | [2-(4-Methoxy-3-phenethyloxy-phenyl...)
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibitory concentration against radioligand [3H]SCH-23390 binding to Dopamine receptor D1 in ratMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetGlutamate receptor ionotropic, NMDA 1(Rat)
Taisho Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50170660(CHEMBL521582 | [2-(4-Methoxy-3-phenethyloxy-phenyl...)
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibitory concentration against radioligand [3H]PCP binding to PCP site of N-methyl-D-aspartate glutamate receptor in ratMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
Target5-hydroxytryptamine receptor 1A(Rat)
Taisho Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50170660(CHEMBL521582 | [2-(4-Methoxy-3-phenethyloxy-phenyl...)
Affinity DataIC50: 6.46E+3nMAssay Description:Inhibitory concentration against radioligand [3H]hydroxy-2-(di-n-propylamino)-tetralin binding to 5-hydroxytryptamine 1A receptor in ratMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetD(2) dopamine receptor(Rat)
Taisho Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50170660(CHEMBL521582 | [2-(4-Methoxy-3-phenethyloxy-phenyl...)
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibitory concentration against radioligand [3H](-)-sulpiride binding to Dopamine receptor D2 in ratMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetSigma non-opioid intracellular receptor 1(Rat)
University of Bari Aldo Moro

Curated by ChEMBL
LigandPNGBDBM50170660(CHEMBL521582 | [2-(4-Methoxy-3-phenethyloxy-phenyl...)
Affinity DataIC50: 1.30nMAssay Description:Inhibitory concentration against radioligand [3H]3-PPP binding to Sigma opioid receptor type 1 in rat brain membraneMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetD(2) dopamine receptor(Human)
The University of Sydney

Curated by ChEMBL
LigandPNGBDBM50170660(CHEMBL521582 | [2-(4-Methoxy-3-phenethyloxy-phenyl...)
Affinity DataIC50: 1.00E+4nMAssay Description:Displacement of [3H]N-methylspiperone from human D2 receptor expressed in HEK cellsMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetSigma non-opioid intracellular receptor 1(Human)
Taisho Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50170660(CHEMBL521582 | [2-(4-Methoxy-3-phenethyloxy-phenyl...)
Affinity DataKi:  1nMAssay Description:Affinity for sigma receptor type 1 of guinea pig using [3H]ifenprodil or (+)-[3H]pentazocine radioligandMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetSigma non-opioid intracellular receptor 1(Guinea pig)
Universita Degli Studi Di Bari

Curated by ChEMBL
LigandPNGBDBM50170660(CHEMBL521582 | [2-(4-Methoxy-3-phenethyloxy-phenyl...)
Affinity DataKi:  1nMAssay Description:Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane without cerebellumMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetSigma non-opioid intracellular receptor 1(Rat)
University of Bari Aldo Moro

Curated by ChEMBL
LigandPNGBDBM50170660(CHEMBL521582 | [2-(4-Methoxy-3-phenethyloxy-phenyl...)
Affinity DataKi:  1.03nMAssay Description:Displacement of [3H](+)-pentazocine from sigma 1 receptor in rat brain homogenateMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetSigma non-opioid intracellular receptor 1(Guinea pig)
Universita Degli Studi Di Bari

Curated by ChEMBL
LigandPNGBDBM50170660(CHEMBL521582 | [2-(4-Methoxy-3-phenethyloxy-phenyl...)
Affinity DataKi:  1.03nMAssay Description:Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membranesMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetSigma non-opioid intracellular receptor 1(Human)
Taisho Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50170660(CHEMBL521582 | [2-(4-Methoxy-3-phenethyloxy-phenyl...)
Affinity DataKi:  1.10nMAssay Description:Binding affinity to human sigma 1 receptorMore data for this Ligand-Target Pair
In DepthDetails
PubMedPDB3D3D Structure (crystal)
TargetSigma non-opioid intracellular receptor 1(Guinea pig)
Universita Degli Studi Di Bari

Curated by ChEMBL
LigandPNGBDBM50170660(CHEMBL521582 | [2-(4-Methoxy-3-phenethyloxy-phenyl...)
Affinity DataKi:  2.38nMAssay Description:Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membraneMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
Target3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase(Guinea pig)
University of Bari Aldo Moro

Curated by ChEMBL
LigandPNGBDBM50170660(CHEMBL521582 | [2-(4-Methoxy-3-phenethyloxy-phenyl...)
Affinity DataKi:  14.6nMAssay Description:Displacement of [3H](+/-)-emopamil from delta8-delta7 sterol isomerase (SI) site in guinea pig liver membranesMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
Target3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase(Guinea pig)
University of Bari Aldo Moro

Curated by ChEMBL
LigandPNGBDBM50170660(CHEMBL521582 | [2-(4-Methoxy-3-phenethyloxy-phenyl...)
Affinity DataKi:  15nMAssay Description:Displacement of [3H](-)-(S)-emopamil from EBP in guinea pig liver membraneMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
Target3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase(Human)
University of Innsbruck

Curated by ChEMBL
LigandPNGBDBM50170660(CHEMBL521582 | [2-(4-Methoxy-3-phenethyloxy-phenyl...)
Affinity DataKi:  15nMAssay Description:Affinity for human EMP expressed in ERG2 deficient strain of Saccharomyces cerevisiae using [3H]ifenprodil or (+)-[3H]pentazocine as radioligandMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetSigma intracellular receptor 2(Human)
University of Catania

Curated by ChEMBL
LigandPNGBDBM50170660(CHEMBL521582 | [2-(4-Methoxy-3-phenethyloxy-phenyl...)
Affinity DataKi:  170nMAssay Description:Binding affinity to human sigma 2 receptorMore data for this Ligand-Target Pair
In DepthDetails
PubMed
TargetSodium-dependent dopamine transporter(Rat)
National Institute On Drug Abuse-Intramural Research Program

Curated by ChEMBL
LigandPNGBDBM50170660(CHEMBL521582 | [2-(4-Methoxy-3-phenethyloxy-phenyl...)
Affinity DataKi:  3.62E+3nMAssay Description:Displacement of [3H]WIN-35428 from DAT in rat striatum membraneMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetSodium-dependent serotonin transporter(Rat)
National Institute On Drug Abuse-Intramural Research Program

Curated by ChEMBL
LigandPNGBDBM50170660(CHEMBL521582 | [2-(4-Methoxy-3-phenethyloxy-phenyl...)
Affinity DataKi: >1.00E+4nMAssay Description:Displacement of [3H]citalopram from SERT in rat brain stem membraneMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed