BindingDB BDBM50001028 (+)-PENTAZOCINE::(-)-pentazocine::(2R,6R,11R)-6,11-Dimethyl-3-(3-methyl-but-2-enyl)-1,2,3,4,5,6-hexahydro-2,6-methano-benzo[d]azocin-8-ol::(6R,11S)-6,11-Dimethyl-3-(3-methyl-but-2-enyl)-1,2,3,4,5,6-hexahydro-2,6-methano-benzo[d]azocin-8-ol::6,11-Dimethyl-3-(3-methyl-but-2-enyl)-1,2,3,4,5,6-hexahydro-2,6-methano-benzo[d]azocin-8-ol::6,11-Dimethyl-3-(3-methyl-but-2-enyl)-1,2,3,4,5,6-hexahydro-2,6-methano-benzo[d]azocin-8-ol(Pentazocine)::CHEMBL560::PENTAZOCINE (+)::PENTAZOCINE (-)::Pentazocine::Pentazocine,(+/-)::Talacen::Talwin::US10231963, Table B.8::US10736890, Compound TABLE B.8::US11534436, Compound Table B.8::US9656961, Example 00125::rel-(2R,6R,11R)-6,11-Dimethyl-3-(3-methyl-but-2-enyl)-1,2,3,4,5,6-hexahydro-2,6-methano-benzo[d]azocin-8-ol

BDBM50001028 (+)-PENTAZOCINE::(-)-pentazocine::(2R,6R,11R)-6,11-Dimethyl-3-(3-methyl-but-2-enyl)-1,2,3,4,5,6-hexahydro-2,6-methano-benzo[d]azocin-8-ol::(6R,11S)-6,11-Dimethyl-3-(3-methyl-but-2-enyl)-1,2,3,4,5,6-hexahydro-2,6-methano-benzo[d]azocin-8-ol::6,11-Dimethyl-3-(3-methyl-but-2-enyl)-1,2,3,4,5,6-hexahydro-2,6-methano-benzo[d]azocin-8-ol::6,11-Dimethyl-3-(3-methyl-but-2-enyl)-1,2,3,4,5,6-hexahydro-2,6-methano-benzo[d]azocin-8-ol(Pentazocine)::CHEMBL560::PENTAZOCINE (+)::PENTAZOCINE (-)::Pentazocine::Pentazocine,(+/-)::Talacen::Talwin::US10231963, Table B.8::US10736890, Compound TABLE B.8::US11534436, Compound Table B.8::US9656961, Example 00125::rel-(2R,6R,11R)-6,11-Dimethyl-3-(3-methyl-but-2-enyl)-1,2,3,4,5,6-hexahydro-2,6-methano-benzo[d]azocin-8-ol

SMILES [#6]-[#6@H]1-[#6@H]-2-[#6]-c3ccc(-[#8])cc3[C@]1([#6])[#6]-[#6]-[#7]-2-[#6]\[#6]=[#6](\[#6])-[#6]

InChI Key InChIKey=VOKSWYLNZZRQPF-GDIGMMSISA-N

Data 61 KI 8 IC50 2 EC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 50001028

Mu-type opioid receptor(Homo sapiens (Human))
Alkermes Pharma Ireland

US Patent

BDBM50001028((+)-PENTAZOCINE | (-)-pentazocine | (2R,6R,11R)-6,...)

Ki: 2.70nMAssay Description:The Ki (binding affinity) for μ opioid receptors was determined using a competitive displacement assay as previously described in Neumeyer (Jour...More data for this Ligand-Target Pair

PDB NCI pathway Reactome pathway KEGG
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Mu-type opioid receptor(Homo sapiens (Human))
Alkermes Pharma Ireland

US Patent

BDBM50001028((+)-PENTAZOCINE | (-)-pentazocine | (2R,6R,11R)-6,...)

PDB NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar

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Mu-type opioid receptor(Homo sapiens (Human))
Alkermes Pharma Ireland

US Patent

BDBM50001028((+)-PENTAZOCINE | (-)-pentazocine | (2R,6R,11R)-6,...)

Ki: 2.70nMAssay Description:The Ki (binding affinity) for opioid receptors was determined using a competitive displacement assay as previously described in Neumeyer (Journal of ...More data for this Ligand-Target Pair

PDB NCI pathway Reactome pathway KEGG
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Mu-type opioid receptor(Homo sapiens (Human))
Alkermes Pharma Ireland

US Patent

BDBM50001028((+)-PENTAZOCINE | (-)-pentazocine | (2R,6R,11R)-6,...)

PDB NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar

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Mu-type opioid receptor(Homo sapiens (Human))
Alkermes Pharma Ireland

US Patent

BDBM50001028((+)-PENTAZOCINE | (-)-pentazocine | (2R,6R,11R)-6,...)

Ki: 3.90nMMore data for this Ligand-Target Pair

PDB NCI pathway Reactome pathway KEGG
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Mu-type opioid receptor(Homo sapiens (Human))
Alkermes Pharma Ireland

US Patent

BDBM50001028((+)-PENTAZOCINE | (-)-pentazocine | (2R,6R,11R)-6,...)

Ki: 3.90nMAssay Description:Binding affinity to mu opioid receptor (unknown origin)More data for this Ligand-Target Pair

PDB NCI pathway Reactome pathway KEGG
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Mu-type opioid receptor(GUINEA PIG)
Sri International

Curated by PDSP K_i Database

BDBM50001028((+)-PENTAZOCINE | (-)-pentazocine | (2R,6R,11R)-6,...)

Ki: 5.70nMMore data for this Ligand-Target Pair

PDB
UniProtKB/SwissProt
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Mu-type opioid receptor(Rattus norvegicus (rat))
Eli Lilly

Curated by ChEMBL

BDBM50001028((+)-PENTAZOCINE | (-)-pentazocine | (2R,6R,11R)-6,...)

Ki: 6.90nMAssay Description:Binding affinity to Opioid receptor mu 1 in rat brain using [3H]-NAL as radioligandMore data for this Ligand-Target Pair

PDB Reactome pathway KEGG
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Mu-type opioid receptor(Homo sapiens (Human))
Alkermes Pharma Ireland

US Patent

BDBM50001028((+)-PENTAZOCINE | (-)-pentazocine | (2R,6R,11R)-6,...)

EC50: 61nMAssay Description:The Ki (binding affinity) for opioid receptors was determined using a competitive displacement assay as previously described in Neumeyer (Journal of ...More data for this Ligand-Target Pair

PDB NCI pathway Reactome pathway KEGG
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Mu-type opioid receptor(Homo sapiens (Human))
Alkermes Pharma Ireland

US Patent

BDBM50001028((+)-PENTAZOCINE | (-)-pentazocine | (2R,6R,11R)-6,...)

IC50: 280nMAssay Description:The Ki (binding affinity) for opioid receptors was determined using a competitive displacement assay as previously described in Neumeyer (Journal of ...More data for this Ligand-Target Pair

PDB NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar

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Mu-type opioid receptor(Homo sapiens (Human))
Alkermes Pharma Ireland

US Patent

BDBM50001028((+)-PENTAZOCINE | (-)-pentazocine | (2R,6R,11R)-6,...)

PDB NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar

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Details US Patent DrugBank

Mu-type opioid receptor(Homo sapiens (Human))
Alkermes Pharma Ireland

US Patent

BDBM50001028((+)-PENTAZOCINE | (-)-pentazocine | (2R,6R,11R)-6,...)

IC50: 280nMAssay Description:The Ki (binding affinity) for μ opioid receptors was determined using a competitive displacement assay as previously described in Neumeyer (Jour...More data for this Ligand-Target Pair

PDB NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar

Purchase CHEMBL DrugBank KEGG PC cid PC sid Patents Similars

Details US Patent DrugBank

Mu-type opioid receptor(Homo sapiens (Human))
Alkermes Pharma Ireland

US Patent

BDBM50001028((+)-PENTAZOCINE | (-)-pentazocine | (2R,6R,11R)-6,...)

PDB NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar

Purchase CHEMBL DrugBank KEGG PC cid PC sid Patents Similars

Details US Patent DrugBank

Mu-type opioid receptor(Homo sapiens (Human))
Alkermes Pharma Ireland

US Patent

BDBM50001028((+)-PENTAZOCINE | (-)-pentazocine | (2R,6R,11R)-6,...)

PDB NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar

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Filter my 71 hits

Targets 13▿
- Sigma non-opioid intracellular receptor 1 29
- Mu-type opioid receptor 14
- Glutamate receptor ionotropic, NMDA 1 5
- Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1 4
- Sigma intracellular receptor 2 4
- Kappa-type opioid receptor 4
- 5-hydroxytryptamine receptor 3A 4
- Delta-type opioid receptor 2
- Zinc finger protein 664 1
- D(2) dopamine receptor 1
- Nischarin 1
- D(1A) dopamine receptor 1
- Vesicular acetylcholine transporter 1
- ...
Publications 37▿
- NIDA Res Monogr 178: 440-66 (1998) 6
- J Pharmacol Exp Ther 238: 739-48 (1986) 5
- J Pharm Pharmacol 38: 374-9 (1986) 5
- J Pharmacol Exp Ther 267: 961-70 (1993) 4
- J Med Chem 63: 15187-15217 (2020) 4
- Proc Natl Acad Sci U S A 81: 4983-7 (1984) 3
- US Patent US10231963 (2019) 3
- US Patent US9656961 (2017) 3
- J Med Chem 59: 5505-19 (2016) 2
- US Patent US10736890 (2020) 2
- Eur J Med Chem 230: (2022) 2
- J Med Chem 26: 42-50 (1983) 2
- US Patent US11534436 (2022) 2
- ACS Med Chem Lett 11: 889-894 (2020) 2
- J Med Chem 31: 555-60 (1988) 2
- Bioorg Med Chem Lett 72: (2022) 2
- Mol Pharmacol 12: 800-12 (1976) 2
- J Pharmacol Exp Ther 285: 170-7 (1998) 1
- Eur J Med Chem 219: (2021) 1
- J Med Chem 62: 893-907 (2019) 1
- Eur J Med Chem 228: (2022) 1
- Eur J Med Chem 230: (2022) 1
- J Med Chem 36: 2311-20 (1993) 1
- Eur J Med Chem 230: (2022) 1
- Eur J Med Chem 237: (2022) 1
- J Med Chem 64: 890-904 (2021) 1
- Bioorg Med Chem 24: 4045-4055 (2016) 1
- Eur J Med Chem 210: (2021) 1
- J Med Chem 23: 726-9 (1980) 1
- J Med Chem 61: 9666-9690 (2018) 1
- RSC Med Chem 12: 237-244 (2021) 1
- Bioorg Med Chem Lett 26: 2676-9 (2016) 1
- J Med Chem 36: 1188-93 (1993) 1
- Eur J Med Chem 156: 534-553 (2018) 1
- Bioorg Med Chem 20: 4936-41 (2012) 1
- J Med Chem 60: 2526-2551 (2017) 1
- J Med Chem 28: 1656-61 (1985) 1
Institutions 22▿
- TBA 14
- Alkermes Pharma Ireland 10
- Sri International 6
- The Johns Hopkins University 5
- Syntex Discovery Research 4
- Westf£Lische Wilhelms-Universit£T M£Nster 4
- Soochow University 4
- Universit£T M£Nster 3
- Universit£ 3
- University Of Trieste 2
- Eli Lilly 2
- University Of Catania 2
- National Institute Of Diabetes And Digestive And Kidney Diseases 2
- University Of M£Nster 2
- University Of Tehran 1
- Kanazawa University 1
- Wilhelms-Universit�T M�Nster Corrensstr 1
- University of Bonn 1
- Consejo Superior De Investigaciones Cient�Ficas (Iqm-Csic) 1
- Dr. August Wolff Gmbh & Co. Kg Arzneimittel 1
- The State University Of New Jersey 1
- Institut F£R Pharmazeutische Und Medizinische Chemie Der Universit£T M£Nster 1
Affinity: 2.2 to 1.0E+4 nM▿
- Ki 61
- IC50 8
- EC50 2
- Affinity ≤ nM
Xtal structures: 0
Docked structures: 0
Catalog Cmpds: 1