BDBM50008984 4-(4-Chloro-benzyl)-2-(1-methyl-azepan-4-yl)-2H-phthalazin-1-one::CHEMBL596::Duragesic-100::Duragesic-12::Duragesic-25::Duragesic-50::Duragesic-75::FENTANYL::FENTANYL CITRATE::FENTANYL-HCl::Fentanyl-100::Fentanyl-12::Fentanyl-25::Fentanyl-50::Fentanyl-75::Fentora::Innovar::Ionsys::N-(1-Phenethyl-piperidin-4-yl)-N-phenyl-propionamide::N-(1-Phenethyl-piperidin-4-yl)-N-phenyl-propionamide(Fentanyl)::N-(1-phenethylpiperidin-4-yl)-N-phenylpropionamide::US20230399418, Compound Fentanyl

SMILES CCC(=O)N(C1CCN(CCc2ccccc2)CC1)c1ccccc1

InChI Key InChIKey=PJMPHNIQZUBGLI-UHFFFAOYSA-N

Data  49 KI  33 IC50  1 Kd  9 EC50  1 Koff  1 Kon

PDB links: 13 PDB IDs match this monomer.

  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 92 hits for monomerid = 50008984   

TargetNuclear receptor subfamily 1 group I member 2(Human)
National Institutes of Health Chemical Genomics Center

Curated by ChEMBL
LigandPNGBDBM50008984(N-(1-Phenethyl-piperidin-4-yl)-N-phenyl-propionami...)
Affinity DataEC50:  3.16E+4nMAssay Description:Activation of human PXR expressed in human HepG2 (DPX-2) cells assessed as induction of CYP3A4 after 24 hrs by luminescent analysisMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetDelta-type opioid receptor(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50008984(N-(1-Phenethyl-piperidin-4-yl)-N-phenyl-propionami...)
Affinity DataIC50: 187nMAssay Description:Compound was tested in vitro for binding affinity towards delta opioid receptor by measuring displacement of [3H]DPDPE from guinea pig brain membrane...More data for this Ligand-Target Pair
In DepthDetails Article

TargetMu-type opioid receptor(Guinea pig)
Clinical Research Institute of Montreal

Curated by ChEMBL
LigandPNGBDBM50008984(N-(1-Phenethyl-piperidin-4-yl)-N-phenyl-propionami...)
Affinity DataIC50: 3.45nMAssay Description:Agonist activity at mu opioid receptor in guinea pig ileum assessed as inhibition of electrically-stimulated muscle contractionMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetATP-dependent translocase ABCB1(Human)
Vanderbilt University

Curated by ChEMBL
LigandPNGBDBM50008984(N-(1-Phenethyl-piperidin-4-yl)-N-phenyl-propionami...)
Affinity DataIC50: 6.50E+3nMAssay Description:TP_TRANSPORTER: inhibition of Digoxin transepithelial transport (basal to apical) (Digoxin: 5 uM) in Caco-2 cellsMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetHistamine H1 receptor(Rat)
University of Oxford

Curated by ChEMBL
LigandPNGBDBM50008984(N-(1-Phenethyl-piperidin-4-yl)-N-phenyl-propionami...)
Affinity DataIC50: 2.00E+4nMAssay Description:Displacement of [3H]mepyramine from histamine H1 receptor in Sprague-Dawley rat brain membrane after 2 hr by scintillation countingMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetHistamine H1 receptor(Human)
University of Oxford

Curated by ChEMBL
LigandPNGBDBM50008984(N-(1-Phenethyl-piperidin-4-yl)-N-phenyl-propionami...)
Affinity DataIC50: 1.48E+5nMAssay Description:Antagonist activity at H1 receptor in human HeLa cells assessed as inhibition of histamine-induced Ca2+ release by using fura-2AM-based fluorescence ...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetKappa-type opioid receptor(Human)
Universities of Lille

Curated by ChEMBL
LigandPNGBDBM50008984(N-(1-Phenethyl-piperidin-4-yl)-N-phenyl-propionami...)
Affinity DataIC50: 1.58E+3nMAssay Description:Binding affinity against opioid receptor kappa 1 using [3H]- U-69,593 radioligandMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetDelta-type opioid receptor(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50008984(N-(1-Phenethyl-piperidin-4-yl)-N-phenyl-propionami...)
Affinity DataIC50: 431nMAssay Description:Binding affinity against delta-opiate receptor (human) using [3H]-DPDPE radioligandMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetMu-type opioid receptor(Human)
Universities of Lille

Curated by ChEMBL
LigandPNGBDBM50008984(N-(1-Phenethyl-piperidin-4-yl)-N-phenyl-propionami...)
Affinity DataIC50: 1.30nMAssay Description:Binding affinity against mu-opiate receptor (human) using [3H]DAMGO radioligandMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetNuclear receptor subfamily 1 group I member 2(Human)
National Institutes of Health Chemical Genomics Center

Curated by ChEMBL
LigandPNGBDBM50008984(N-(1-Phenethyl-piperidin-4-yl)-N-phenyl-propionami...)
Affinity DataEC50:  3.16E+4nMAssay Description:Activation of human PXR expressed in human HepG2 (DPX-2) cells after 24 hrs by luciferase reporter gene based luminescent analysisMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetNuclear receptor subfamily 1 group I member 2(Human)
National Institutes of Health Chemical Genomics Center

Curated by ChEMBL
LigandPNGBDBM50008984(N-(1-Phenethyl-piperidin-4-yl)-N-phenyl-propionami...)
Affinity DataEC50:  3.16E+4nMAssay Description:Competitive binding affinity to human PXR LBD (111 to 434) by TR-FRET assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetKappa-type opioid receptor(Guinea pig)
TBA

Curated by ChEMBL
LigandPNGBDBM50008984(N-(1-Phenethyl-piperidin-4-yl)-N-phenyl-propionami...)
Affinity DataIC50: 5.89E+3nMAssay Description:Compound was tested in vitro for binding affinity towards kappa opioid receptor by measuring displacement of [3H]EKC from guinea pig brain membranesMore data for this Ligand-Target Pair
In DepthDetails Article

TargetMu-type opioid receptor(Rat)
University of Michigan

Curated by ChEMBL
LigandPNGBDBM50008984(N-(1-Phenethyl-piperidin-4-yl)-N-phenyl-propionami...)
Affinity DataEC50:  32nMAssay Description:Compound was tested for its ability to stimulate [35S]GTP-gamma-S, binding to membranes from C6 glioma cells stably expressing rat mu opioid receptor...More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetMu-type opioid receptor(Guinea pig)
Clinical Research Institute of Montreal

Curated by ChEMBL
LigandPNGBDBM50008984(N-(1-Phenethyl-piperidin-4-yl)-N-phenyl-propionami...)
Affinity DataIC50: 1.90nMAssay Description:Agonist activity at mu opioid receptor in Hartley guinea pig ileum/longitudinal muscle with myenteric plexus assessed as inhibition of PL-017-induced...More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetDelta-type opioid receptor(Mouse)
University of Arizona

Curated by ChEMBL
LigandPNGBDBM50008984(N-(1-Phenethyl-piperidin-4-yl)-N-phenyl-propionami...)
Affinity DataIC50: 3.5nMAssay Description:Agonist activity at delta opioid receptor in beta-funaltrexamine-treated mouse vas deferensMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetMu-type opioid receptor(Guinea pig)
Clinical Research Institute of Montreal

Curated by ChEMBL
LigandPNGBDBM50008984(N-(1-Phenethyl-piperidin-4-yl)-N-phenyl-propionami...)
Affinity DataIC50: 9.5nMAssay Description:Agonist activity at mu opioid receptor in beta-funaltrexamine-treated guinea pig isolated ileumMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetDelta-type opioid receptor(Mouse)
University of Arizona

Curated by ChEMBL
LigandPNGBDBM50008984(N-(1-Phenethyl-piperidin-4-yl)-N-phenyl-propionami...)
Affinity DataIC50: 9.5nMAssay Description:Agonist activity at delta opioid receptor in mouse vas deferens assessed as inhibition of electrically stimulated muscle contractionMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetMu-type opioid receptor(Guinea pig)
Clinical Research Institute of Montreal

Curated by ChEMBL
LigandPNGBDBM50008984(N-(1-Phenethyl-piperidin-4-yl)-N-phenyl-propionami...)
Affinity DataIC50: 3.40nMAssay Description:Agonist activity at mu opioid receptor in guinea pig ileum assessed as inhibition of electrically stimulated muscle contractionMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetDelta-type opioid receptor(Mouse)
University of Arizona

Curated by ChEMBL
LigandPNGBDBM50008984(N-(1-Phenethyl-piperidin-4-yl)-N-phenyl-propionami...)
Affinity DataIC50: 7.20nMAssay Description:Agonist activity at delta opioid receptor in ICR mouse vas deferens assessed as inhibition of MVD contraction heightMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetMu-type opioid receptor(Rat)
University of Michigan

Curated by ChEMBL
LigandPNGBDBM50008984(N-(1-Phenethyl-piperidin-4-yl)-N-phenyl-propionami...)
Affinity DataIC50: 1.26E+3nMAssay Description:Displacement of [3H] DAMGO from rat mu-opioid receptorMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetMu-type opioid receptor(Guinea pig)
Clinical Research Institute of Montreal

Curated by ChEMBL
LigandPNGBDBM50008984(N-(1-Phenethyl-piperidin-4-yl)-N-phenyl-propionami...)
Affinity DataIC50: 3.40E+3nMAssay Description:Agonist activity at mu opioid receptor in guinea pig isolated ileum assessed as inhibition of electric stimulation-induced contractionMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetDelta-type opioid receptor(Mouse)
University of Arizona

Curated by ChEMBL
LigandPNGBDBM50008984(N-(1-Phenethyl-piperidin-4-yl)-N-phenyl-propionami...)
Affinity DataIC50: 9.40E+3nMAssay Description:Agonist activity at delta opioid receptor in mouse vas deferens assessed as inhibition of electric stimulation-induced contractionMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetSolute carrier family 22 member 1(Human)
University Medicine Greifswald

Curated by ChEMBL
LigandPNGBDBM50008984(N-(1-Phenethyl-piperidin-4-yl)-N-phenyl-propionami...)
Affinity DataIC50: 4.62E+4nMAssay Description:Inhibition of human OCT1 expressed in HEK293 cells assessed as reduction in ASP+ substrate uptake by microplate reader based analysisMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetOpioid-binding protein/cell adhesion molecule(Human)
The Scripps Research Institute

US Patent
LigandPNGBDBM50008984(N-(1-Phenethyl-piperidin-4-yl)-N-phenyl-propionami...)
Affinity DataKd:  0.219nM Kon:  0.00207M-1s-1 Koff:  9.46E+6s-1Assay Description:The direct binding kinetics of JBZ-4 to fentanyl and related analogues was thoroughly characterized by surface plasmon resonance (SPR) single cycle k...More data for this Ligand-Target Pair
In DepthDetails
US Patent

TargetMu-type opioid receptor(Human)
Universities of Lille

Curated by ChEMBL
LigandPNGBDBM50008984(N-(1-Phenethyl-piperidin-4-yl)-N-phenyl-propionami...)
Affinity DataEC50:  17nMAssay Description:Agonist activity at mu opioid receptor (unknown origin) expressed in HEK293-A cells assessed as inhibition of forskolin-stimulated cAMP accumulation ...More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetMu-type opioid receptor(Human)
Universities of Lille

Curated by ChEMBL
LigandPNGBDBM50008984(N-(1-Phenethyl-piperidin-4-yl)-N-phenyl-propionami...)
Affinity DataEC50:  17nMAssay Description:Agonist activity at mu opioid receptor (unknown origin) expressed in HEK293-A cells assessed as inhibition of forskolin-stimulated cAMP accumulation ...More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetMu-type opioid receptor(Human)
Universities of Lille

Curated by ChEMBL
LigandPNGBDBM50008984(N-(1-Phenethyl-piperidin-4-yl)-N-phenyl-propionami...)
Affinity DataEC50:  0.510nMAssay Description:Agonist activity at human MOR expressed in CHO-K1 cells assessed as cAMP accumulation incubated for 30 mins and measured after 1 hr by Eu-cAMP tracer...More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetMu-type opioid receptor(Human)
Universities of Lille

Curated by ChEMBL
LigandPNGBDBM50008984(N-(1-Phenethyl-piperidin-4-yl)-N-phenyl-propionami...)
Affinity DataEC50:  53nMAssay Description:Agonist activity at human mu opioid receptor expressed in human U2OS cells co-transfected with beta-arrestin-2 assessed as increase in beta-arrestin-...More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetMu-type opioid receptor(Human)
Universities of Lille

Curated by ChEMBL
LigandPNGBDBM50008984(N-(1-Phenethyl-piperidin-4-yl)-N-phenyl-propionami...)
Affinity DataEC50:  43nMAssay Description:Agonist activity at human mu opioid receptor expressed in CHO cell membranes after 1 hr by [35S]-GTPgammaS binding assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetDelta-type opioid receptor(Mouse)
University of Arizona

Curated by ChEMBL
LigandPNGBDBM50008984(N-(1-Phenethyl-piperidin-4-yl)-N-phenyl-propionami...)
Affinity DataIC50: 9.40nMAssay Description:Inhibition of delta opioid receptor in mouse vas deferens assessed as inhibition of electrically-stimulated muscle contractionMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetMu-type opioid receptor(Guinea pig)
Clinical Research Institute of Montreal

Curated by ChEMBL
LigandPNGBDBM50008984(N-(1-Phenethyl-piperidin-4-yl)-N-phenyl-propionami...)
Affinity DataIC50: 3.40nMAssay Description:Inhibition of mu opioid receptor in guinea pig ileum assessed as inhibition of electrically-stimulated muscle contractionMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetMu-type opioid receptor(Human)
Universities of Lille

Curated by ChEMBL
LigandPNGBDBM50008984(N-(1-Phenethyl-piperidin-4-yl)-N-phenyl-propionami...)
Affinity DataIC50: 5.5nMAssay Description:Agonist activity at Gi-coupled mu opioid receptor (unknown origin) expressed in HEK293T cells assessed as inhibition of cAMP production at pH 6.5 mea...More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetMu-type opioid receptor(Human)
Universities of Lille

Curated by ChEMBL
LigandPNGBDBM50008984(N-(1-Phenethyl-piperidin-4-yl)-N-phenyl-propionami...)
Affinity DataIC50: 11nMAssay Description:Agonist activity at Gi-coupled mu opioid receptor (unknown origin) expressed in HEK293T cells assessed as inhibition of cAMP production at pH 7.4 mea...More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM50008984(N-(1-Phenethyl-piperidin-4-yl)-N-phenyl-propionami...)
Affinity DataIC50: 1.10nMAssay Description:Binding affinity to opioid receptors by the displacement of [3H]fentanyl in rat brain homogenatesMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM50008984(N-(1-Phenethyl-piperidin-4-yl)-N-phenyl-propionami...)
Affinity DataIC50: 25nMAssay Description:In vivo binding affinity to opioid receptor preparations from rat brainMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM50008984(N-(1-Phenethyl-piperidin-4-yl)-N-phenyl-propionami...)
Affinity DataIC50: 1.60nMAssay Description:Displacement [3H]naloxone from rat-brain Opioid receptorsMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetDelta-type opioid receptor(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50008984(N-(1-Phenethyl-piperidin-4-yl)-N-phenyl-propionami...)
Affinity DataIC50: 187nMAssay Description:In vitro binding activity against opioid receptor delta using [3DPDPE] as radioligandMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetMu-type opioid receptor(Guinea pig)
Clinical Research Institute of Montreal

Curated by ChEMBL
LigandPNGBDBM50008984(N-(1-Phenethyl-piperidin-4-yl)-N-phenyl-propionami...)
Affinity DataIC50: 3.10nMAssay Description:In vitro binding activity against opioid receptor mu using [3H]-DAGO as radioligandMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetKappa-type opioid receptor(Guinea pig)
TBA

Curated by ChEMBL
LigandPNGBDBM50008984(N-(1-Phenethyl-piperidin-4-yl)-N-phenyl-propionami...)
Affinity DataIC50: 5.89E+3nMAssay Description:In vitro binding activity against opioid receptor kappa using [3H]EKC as radioligandMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM50008984(N-(1-Phenethyl-piperidin-4-yl)-N-phenyl-propionami...)
Affinity DataIC50: 25nMAssay Description:Displacement of [3H]nalotrexone from rat-brain Opioid receptorsMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetPotassium voltage-gated channel subfamily H member 2(Human)
Reverse Proteomics Research Institute

Curated by ChEMBL
LigandPNGBDBM50008984(N-(1-Phenethyl-piperidin-4-yl)-N-phenyl-propionami...)
Affinity DataIC50: 1.82E+3nMAssay Description:Inhibitory concentration against potassium channel HERGMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetDelta-type opioid receptor(Mouse)
University of Arizona

Curated by ChEMBL
LigandPNGBDBM50008984(N-(1-Phenethyl-piperidin-4-yl)-N-phenyl-propionami...)
Affinity DataIC50: 9.45nMAssay Description:Agonist activity at delta opioid receptor in mouse vas deferens assessed as inhibition of electrically-stimulated muscle contractionMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetMu-type opioid receptor(Guinea pig)
Clinical Research Institute of Montreal

Curated by ChEMBL
LigandPNGBDBM50008984(N-(1-Phenethyl-piperidin-4-yl)-N-phenyl-propionami...)
Affinity DataIC50: 3.10nMAssay Description:Compound was tested in vitro for binding affinity towards mu opioid receptor by measuring displacement of [3H]DAGO from guinea pig brain membranesMore data for this Ligand-Target Pair
In DepthDetails Article
PDB3D3D Structure (crystal)
TargetMu-type opioid receptor(Human)
Universities of Lille

Curated by ChEMBL
LigandPNGBDBM50008984(N-(1-Phenethyl-piperidin-4-yl)-N-phenyl-propionami...)
Affinity DataKi:  0.0510nMAssay Description:Binding affinity to mu-opioid receptor (unknown origin) assessed as inhibition constantMore data for this Ligand-Target Pair
In DepthDetails
PubMedPDB3D3D Structure (crystal)
TargetMu-type opioid receptor(Human)
Universities of Lille

Curated by ChEMBL
LigandPNGBDBM50008984(N-(1-Phenethyl-piperidin-4-yl)-N-phenyl-propionami...)
Affinity DataKi:  0.390nMMore data for this Ligand-Target Pair
In DepthDetails
PubMedPDB3D3D Structure (crystal)
TargetSigma non-opioid intracellular receptor 1(Human)
Huazhong University of Science and Technology

Curated by ChEMBL
LigandPNGBDBM50008984(N-(1-Phenethyl-piperidin-4-yl)-N-phenyl-propionami...)
Affinity DataKi:  0.390nMAssay Description:Inhibition of sigma 1 receptor (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetMu-type opioid receptor(Mouse)
Memorial Sloan-Kettering Cancer Center

Curated by PDSP Ki Database
LigandPNGBDBM50008984(N-(1-Phenethyl-piperidin-4-yl)-N-phenyl-propionami...)
Affinity DataKi:  0.450nMMore data for this Ligand-Target Pair
In DepthDetails
PubMedPDB3D3D Structure (crystal)
TargetMu-type opioid receptor(Human)
Universities of Lille

Curated by ChEMBL
LigandPNGBDBM50008984(N-(1-Phenethyl-piperidin-4-yl)-N-phenyl-propionami...)
Affinity DataKi:  0.700nMMore data for this Ligand-Target Pair
In DepthDetails
PubMedPDB3D3D Structure (crystal)
TargetMu-type opioid receptor(Mouse)
Memorial Sloan-Kettering Cancer Center

Curated by PDSP Ki Database
LigandPNGBDBM50008984(N-(1-Phenethyl-piperidin-4-yl)-N-phenyl-propionami...)
Affinity DataKi:  0.940nMMore data for this Ligand-Target Pair
In DepthDetails
PubMedPDB3D3D Structure (crystal)
TargetMu-type opioid receptor(Guinea pig)
Clinical Research Institute of Montreal

Curated by ChEMBL
LigandPNGBDBM50008984(N-(1-Phenethyl-piperidin-4-yl)-N-phenyl-propionami...)
In DepthDetails
PubMedPDB3D3D Structure (crystal)
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