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  48 KI  33 IC50  1 Kd  9 EC50  1 Koff  1 Kon

PDB links: 6 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 10 hits for monomerid = 50008984   

TargetKappa-type opioid receptor(Homo sapiens (Human))
Sri International

Curated by PDSP Ki Database
LigandPNGBDBM50008984(4-(4-Chloro-benzyl)-2-(1-methyl-azepan-4-yl)-2H-ph...)
Affinity DataKi:  84.8nMMore data for this Ligand-Target Pair
In DepthDetails PubMedDrugBank

TargetKappa-type opioid receptor(Cavia porcellus (domestic guinea pig))
Sri International

Curated by PDSP Ki Database
LigandPNGBDBM50008984(4-(4-Chloro-benzyl)-2-(1-methyl-azepan-4-yl)-2H-ph...)
Affinity DataKi:  151nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetKappa-type opioid receptor(Homo sapiens (Human))
Sri International

Curated by PDSP Ki Database
LigandPNGBDBM50008984(4-(4-Chloro-benzyl)-2-(1-methyl-azepan-4-yl)-2H-ph...)
Affinity DataKi:  197nMAssay Description:Binding affinity against Opioid receptor kappa 1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetKappa-type opioid receptor(Cavia porcellus (domestic guinea pig))
Sri International

Curated by PDSP Ki Database
LigandPNGBDBM50008984(4-(4-Chloro-benzyl)-2-(1-methyl-azepan-4-yl)-2H-ph...)
Affinity DataKi:  197nMAssay Description:Binding affinity towards Opioid receptor kappa 1 using [3H]U-69593 as radioligand.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetKappa-type opioid receptor(Homo sapiens (Human))
Sri International

Curated by PDSP Ki Database
LigandPNGBDBM50008984(4-(4-Chloro-benzyl)-2-(1-methyl-azepan-4-yl)-2H-ph...)
Affinity DataKi:  255nMMore data for this Ligand-Target Pair
In DepthDetails PubMedDrugBank

TargetKappa-type opioid receptor(Cavia porcellus (domestic guinea pig))
Sri International

Curated by PDSP Ki Database
LigandPNGBDBM50008984(4-(4-Chloro-benzyl)-2-(1-methyl-azepan-4-yl)-2H-ph...)
Affinity DataKi:  298nMAssay Description:Displacement of [3H]U69593 from kappa opioid receptor in guinea pig brain membraneMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetKappa-type opioid receptor(Cavia porcellus (domestic guinea pig))
Sri International

Curated by PDSP Ki Database
LigandPNGBDBM50008984(4-(4-Chloro-benzyl)-2-(1-methyl-azepan-4-yl)-2H-ph...)
Affinity DataKi:  1.13E+3nMAssay Description:Binding affinity against Opioid receptor kappa 1 in guinea pig brain membranesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetKappa-type opioid receptor(Cavia porcellus (domestic guinea pig))
Sri International

Curated by PDSP Ki Database
LigandPNGBDBM50008984(4-(4-Chloro-benzyl)-2-(1-methyl-azepan-4-yl)-2H-ph...)
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 ArticlePubMed
TargetKappa-type opioid receptor(Cavia porcellus (domestic guinea pig))
Sri International

Curated by PDSP Ki Database
LigandPNGBDBM50008984(4-(4-Chloro-benzyl)-2-(1-methyl-azepan-4-yl)-2H-ph...)
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
TargetKappa-type opioid receptor(Homo sapiens (Human))
Sri International

Curated by PDSP Ki Database
LigandPNGBDBM50008984(4-(4-Chloro-benzyl)-2-(1-methyl-azepan-4-yl)-2H-ph...)
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 ArticlePubMedDrugBank