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
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50008984   

TargetOpioid-binding protein/cell adhesion molecule(Human)
The Scripps Research Institute

US Patent
LigandPNGBDBM50008984(4-(4-Chloro-benzyl)-2-(1-methyl-azepan-4-yl)-2H-ph...)
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