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(c1ccccc1)C2CCN(CC2)CCc3ccccc3
InChI Key InChIKey=PJMPHNIQZUBGLI-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 96 hits for monomerid = 50008984
Affinity DataKi: 0.0510nMAssay Description:Binding affinity to mu-opioid receptor (unknown origin) assessed as inhibition constantMore data for this Ligand-Target Pair
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
TargetSigma non-opioid intracellular receptor 1(Human)
Huazhong University of Science and Technology
Curated by ChEMBL
Huazhong University of Science and Technology
Curated by ChEMBL
Affinity DataKi: 0.390nMAssay Description:Inhibition of sigma 1 receptor (unknown origin)More data for this Ligand-Target Pair
TargetMu-type opioid receptor(Mouse)
Memorial Sloan-Kettering Cancer Center
Curated by PDSP Ki Database
Memorial Sloan-Kettering Cancer Center
Curated by PDSP Ki Database
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
TargetMu-type opioid receptor(Mouse)
Memorial Sloan-Kettering Cancer Center
Curated by PDSP Ki Database
Memorial Sloan-Kettering Cancer Center
Curated by PDSP Ki Database
TargetDelta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1(Rat)
TBA
Curated by ChEMBL
TBA
Curated by ChEMBL
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
Affinity DataKi: 1.10nMAssay Description:Binding affinity to mu opioid receptor (unknown origin) expressed in HEK cells at pH 7.4More data for this Ligand-Target Pair
Affinity DataIC50: 1.30nMAssay Description:Binding affinity against mu-opiate receptor (human) using [3H]DAMGO radioligandMore data for this Ligand-Target Pair
Affinity DataKi: 1.40nMAssay Description:Displacement of [3H]DAMGO from human mu opioid receptor measured after 2 hrs by competitive binding assayMore data for this Ligand-Target Pair
Affinity DataKi: 1.5nMAssay Description:Inhibition of [3H]DAMGO binding to mu opioid receptor of rat brain membranesMore data for this Ligand-Target Pair
TargetDelta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1(Rat)
TBA
Curated by ChEMBL
TBA
Curated by ChEMBL
Affinity DataIC50: 1.60nMAssay Description:Displacement [3H]naloxone from rat-brain Opioid receptorsMore data for this Ligand-Target Pair
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
TargetDelta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1(Rat)
TBA
Curated by ChEMBL
TBA
Curated by ChEMBL
Affinity DataKi: 2.20nMAssay Description:In vitro affinity to displace [3H]naloxone from opiate receptor in freshly prepared rat brain homogenatesMore data for this Ligand-Target Pair
Affinity DataKi: 2.20nMAssay Description:Ability to displace [3H]naloxone from the Opioid receptor mu 1 isolated from the rat brain membranes.More data for this Ligand-Target Pair
Affinity DataKi: 2.20nMAssay Description:The ability to displace [3H]-naloxone from the Opioid receptor mu isolated from rat brain membrane.More data for this Ligand-Target Pair
Affinity DataKi: 2.90nMAssay Description:Displacement of [3H]DAMGO (2 nM ) from opioid receptor mu 1 in human brainMore data for this Ligand-Target Pair
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
Affinity DataIC50: 3.10nMAssay Description:In vitro binding activity against opioid receptor mu using [3H]-DAGO as radioligandMore data for this Ligand-Target Pair
Affinity DataKi: 3.30nMAssay Description:Displacement of [3H]-DAMGO from human MOR expressed in CHO-K1 cell membranes incubated for 90 mins measured by MicroBeta scintillation counter methodMore data for this Ligand-Target Pair
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
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
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
Affinity DataIC50: 3.5nMAssay Description:Agonist activity at delta opioid receptor in beta-funaltrexamine-treated mouse vas deferensMore data for this Ligand-Target Pair
Affinity DataKi: 4nMAssay Description:Binding affinity against Opioid receptor mu 1More data for this Ligand-Target Pair
Affinity DataKi: 4nMAssay Description:Binding affinity towards Opioid receptor mu 1 using [3H]DAMGO as radioligand.More data for this Ligand-Target Pair
Affinity DataKi: 5.20nMAssay Description:Displacement of [3H]DAMGO from human mu opioid receptor expressed in HEK293 cell membrane incubated for 60 mins by radioligand binding assayMore data for this Ligand-Target Pair
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
Affinity DataKi: 5.90nMAssay Description:Displacement of [3H]DAMGO from mu opioid receptor in rat brain membraneMore data for this Ligand-Target Pair
Affinity DataKi: 5.90nMAssay Description:Displacement of [3H]DAMGO from mu opioid receptor in rat brain membranesMore data for this Ligand-Target Pair
TargetMu-type opioid receptor(Mouse)
Memorial Sloan-Kettering Cancer Center
Curated by PDSP Ki Database
Memorial Sloan-Kettering Cancer Center
Curated by PDSP Ki Database
Affinity DataKi: 5.90nMAssay Description:Displacement of [3H]-DAMGO from Swiss Webster mouse neural membranes mu opioid receptor after 60 mins by liquid scintillation spectrometric analysisMore data for this Ligand-Target Pair
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
Affinity DataKi: 8.5nMAssay Description:Binding affinity against mu opioid receptor in guinea pig brain membranesMore data for this Ligand-Target Pair
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
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
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
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
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
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
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
TargetDelta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1(Rat)
TBA
Curated by ChEMBL
TBA
Curated by ChEMBL
Affinity DataIC50: 25nMAssay Description:In vivo binding affinity to opioid receptor preparations from rat brainMore data for this Ligand-Target Pair
TargetDelta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1(Rat)
TBA
Curated by ChEMBL
TBA
Curated by ChEMBL
Affinity DataIC50: 25nMAssay Description:Displacement of [3H]nalotrexone from rat-brain Opioid receptorsMore data for this Ligand-Target Pair
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

3D Structure (crystal)