BindingDB 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

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 K_off 1 K_on

PDB links: 6 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 19 hits for monomerid = 50008984

Delta-type opioid receptor(GUINEA PIG)
Sri International

Curated by PDSP K_i Database

BDBM50008984(4-(4-Chloro-benzyl)-2-(1-methyl-azepan-4-yl)-2H-ph...)

Ki: 73.8nMMore data for this Ligand-Target Pair

PDB
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Delta-type opioid receptor(Homo sapiens (Human))
Sri International

Curated by PDSP K_i Database

BDBM50008984(4-(4-Chloro-benzyl)-2-(1-methyl-azepan-4-yl)-2H-ph...)

Ki: 153nMMore data for this Ligand-Target Pair

PDB Reactome pathway KEGG
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Delta-type opioid receptor(Rattus norvegicus (rat))
Glaxosmithkline

Curated by ChEMBL

BDBM50008984(4-(4-Chloro-benzyl)-2-(1-methyl-azepan-4-yl)-2H-ph...)

Ki: 400nMAssay Description:Binding affinity of compound evaluated for Opioid receptor delta 1 isolated from rat brainMore data for this Ligand-Target Pair

PDB Reactome pathway KEGG
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Delta-type opioid receptor(MOUSE)
University Of Arizona

Curated by ChEMBL

BDBM50008984(4-(4-Chloro-benzyl)-2-(1-methyl-azepan-4-yl)-2H-ph...)

Ki: 568nMAssay Description:Displacement of [3H]-DPDPE from Swiss Webster mouse neural membranes delta opioid receptor after 60 mins by liquid scintillation spectrometric analys...More data for this Ligand-Target Pair

PDB Reactome pathway KEGG
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Delta-type opioid receptor(Rattus norvegicus (rat))
Glaxosmithkline

Curated by ChEMBL

BDBM50008984(4-(4-Chloro-benzyl)-2-(1-methyl-azepan-4-yl)-2H-ph...)

Ki: 568nMAssay Description:Displacement of [3H]DSLET from delta opioid receptor in rat brain membraneMore data for this Ligand-Target Pair

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

Curated by PDSP K_i Database

BDBM50008984(4-(4-Chloro-benzyl)-2-(1-methyl-azepan-4-yl)-2H-ph...)

Ki: 570nMAssay Description:Displacement of [3H]DPDPE from human delta opioid receptorMore data for this Ligand-Target Pair

PDB Reactome pathway KEGG
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Delta-type opioid receptor(Homo sapiens (Human))
Sri International

Curated by PDSP K_i Database

BDBM50008984(4-(4-Chloro-benzyl)-2-(1-methyl-azepan-4-yl)-2H-ph...)

Ki: 679nMAssay Description:Binding affinity against Opioid receptor delta 1 in guinea pig brain membranesMore data for this Ligand-Target Pair

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

Curated by PDSP K_i Database

BDBM50008984(4-(4-Chloro-benzyl)-2-(1-methyl-azepan-4-yl)-2H-ph...)

Ki: 1.00E+3nMMore data for this Ligand-Target Pair

PDB Reactome pathway KEGG
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Delta-type opioid receptor(Homo sapiens (Human))
Sri International

Curated by PDSP K_i Database

BDBM50008984(4-(4-Chloro-benzyl)-2-(1-methyl-azepan-4-yl)-2H-ph...)

Ki: 1.04E+3nMAssay Description:Binding affinity against Opioid receptor delta 1More data for this Ligand-Target Pair

PDB Reactome pathway KEGG
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Delta-type opioid receptor(Rattus norvegicus (rat))
Glaxosmithkline

Curated by ChEMBL

BDBM50008984(4-(4-Chloro-benzyl)-2-(1-methyl-azepan-4-yl)-2H-ph...)

Ki: 1.04E+3nMAssay Description:Binding affinity towards Opioid receptor delta 1 using [3H]DADLE as radioligand.More data for this Ligand-Target Pair

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

Curated by PDSP K_i Database

BDBM50008984(4-(4-Chloro-benzyl)-2-(1-methyl-azepan-4-yl)-2H-ph...)

IC50: 187nMAssay Description:In vitro binding activity against opioid receptor delta using [3DPDPE] as radioligandMore data for this Ligand-Target Pair

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

Curated by PDSP K_i Database

BDBM50008984(4-(4-Chloro-benzyl)-2-(1-methyl-azepan-4-yl)-2H-ph...)

IC50: 187nMAssay Description:Compound was tested in vitro for binding affinity towards delta opioid receptor by measuring displacement of [3H]-DPDPE from guinea pig brain membran...More data for this Ligand-Target Pair

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

Curated by PDSP K_i Database

BDBM50008984(4-(4-Chloro-benzyl)-2-(1-methyl-azepan-4-yl)-2H-ph...)

IC50: 431nMAssay Description:Binding affinity against delta-opiate receptor (human) using [3H]-DPDPE radioligandMore data for this Ligand-Target Pair

PDB Reactome pathway KEGG
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Delta-type opioid receptor(MOUSE)
University Of Arizona

Curated by ChEMBL

BDBM50008984(4-(4-Chloro-benzyl)-2-(1-methyl-azepan-4-yl)-2H-ph...)

IC50: 3.5nMAssay Description:Agonist activity at delta opioid receptor in beta-funaltrexamine-treated mouse vas deferensMore data for this Ligand-Target Pair

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Delta-type opioid receptor(MOUSE)
University Of Arizona

Curated by ChEMBL

BDBM50008984(4-(4-Chloro-benzyl)-2-(1-methyl-azepan-4-yl)-2H-ph...)

IC50: 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

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Delta-type opioid receptor(MOUSE)
University Of Arizona

Curated by ChEMBL

BDBM50008984(4-(4-Chloro-benzyl)-2-(1-methyl-azepan-4-yl)-2H-ph...)

IC50: 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

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Delta-type opioid receptor(MOUSE)
University Of Arizona

Curated by ChEMBL

BDBM50008984(4-(4-Chloro-benzyl)-2-(1-methyl-azepan-4-yl)-2H-ph...)

IC50: 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

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Delta-type opioid receptor(MOUSE)
University Of Arizona

Curated by ChEMBL

BDBM50008984(4-(4-Chloro-benzyl)-2-(1-methyl-azepan-4-yl)-2H-ph...)

IC50: 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

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Delta-type opioid receptor(MOUSE)
University Of Arizona

Curated by ChEMBL

BDBM50008984(4-(4-Chloro-benzyl)-2-(1-methyl-azepan-4-yl)-2H-ph...)

IC50: 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

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Filter my 91 hits

Targets 16▿
- Mu-type opioid receptor 40
- Delta-type opioid receptor 19
- Kappa-type opioid receptor 10
- Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1 5
- Nuclear receptor subfamily 1 group I member 2 3
- Sigma non-opioid intracellular receptor 1 2
- Histamine H1 receptor 2
- Nociceptin receptor 2
- Opioid-binding protein/cell adhesion molecule 1
- Solute carrier family 22 member 1 1
- D(4) dopamine receptor 1
- D(3) dopamine receptor 1
- D(2) dopamine receptor 1
- Amine oxidase [flavin-containing] A/B 1
- Potassium voltage-gated channel subfamily H member 2 1
- ATP-dependent translocase ABCB1 1
- ...
Publications 40▿
- NIDA Res Monogr 178: 440-66 (1998) 6
- J Med Chem 53: 2875-81 (2010) 5
- Bioorg Med Chem Lett 25: 4683-8 (2015) 4
- J Med Chem 64: 7778-7808 (2021) 4
- Bioorg Med Chem 23: 6185-94 (2015) 4
- Bioorg Med Chem 24: 85-91 (2016) 4
- Bioorg Med Chem Lett 8: 2685-8 (1999) 4
- Drug Metab Dispos 39: 151-9 (2010) 3
- Bioorg Med Chem Lett 5: 1177-1182 (1995) 3
- J Med Chem 44: 3378-90 (2001) 3
- J Med Chem 34: 827-41 (1991) 3
- Mol Pharmacol 45: 330-4 (1994) 3
- J Med Chem 43: 381-91 (2000) 3
- J Med Chem 38: 1547-57 (1995) 3
- Bioorg Med Chem 19: 6135-42 (2011) 2
- J Pharmacol Exp Ther 286: 1007-13 (1998) 2
- J Med Chem 63: 15709-15725 (2020) 2
- J Pharmacol Exp Ther 272: 423-8 (1995) 2
- Bioorg Med Chem Lett 14: 491-3 (2003) 2
- J Med Chem 55: 7054-60 (2012) 2
- J Med Chem 61: 9841-9878 (2018) 2
- J Med Chem 46: 623-33 (2003) 2
- Bioorg Med Chem Lett 23: 3434-7 (2013) 2
- Pharmacol Rev 53: 381-415 (2001) 2
- ACS Med Chem Lett 10: 1353-1356 (2019) 2
- J Med Chem 25: 913-9 (1982) 2
- Eur J Med Chem 241: (2022) 2
- Bioorg Med Chem Lett 15: 2886-90 (2005) 1
- J Med Chem 62: 9890-9905 (2019) 1
- J Med Chem 61: 5822-5880 (2018) 1
- J Med Chem 65: 13483-13504 (2022) 1
- Eur J Med Chem 191: (2020) 1
- J Med Chem 32: 968-74 (1989) 1
- J Med Chem 33: 2876-82 (1990) 1
- US Patent US20230399418 (2023) 1
- J Med Chem 32: 663-71 (1989) 1
- ACS Med Chem Lett 10: 1568-1572 (2019) 1
- J Med Chem 29: 1087-93 (1986) 1
- J Med Chem 24: 777-82 (1981) 1
- Anesthesiology 96: 913-20 (2002) 1
Institutions 32▿
- University Of Arizona 14
- TBA 7
- Sri International 6
- University of Pennsylvania 5
- Clinical Research Institute Of Montreal 5
- National Institute On Drug Abuse-Intramural Research Program 4
- University Of Michigan 4
- Anaquest 3
- University Of Minnesota 3
- National Institutes Of Health Chemical Genomics Center 3
- Research Triangle Institute 3
- Universities Of Lille 3
- Glaxosmithkline 2
- Marquette University 2
- Shanghaitech University 2
- Lanzhou University 2
- University Of Oxford 2
- Memorial Sloan-Kettering Cancer Center 2
- Jiangsu Ocean University 2
- University of Arizona 2
- Instituto De QuíMica MéDica 2
- Anaquest Pharmaceuticals 2
- Mcgill University 2
- Boc Technical Center 1
- Bristol-Myers Squibb 1
- The Scripps Research Institute 1
- The University Of Sydney 1
- United States Army Ccdc Chemical Biological Center 1
- Huazhong University Of Science And Technology 1
- Reverse Proteomics Research Institute 1
- Vanderbilt University 1
- University Medicine Greifswald 1
Affinity: 0.22 to 1.5E+5 nM▿
- Ki 48
- IC50 33
- Kd 1
- EC50 9
- Affinity ≤ nM
Xtal structures: 1
Docked structures: 0
Catalog Cmpds: 1