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

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50001028   

TargetSigma non-opioid intracellular receptor 1(Cavia porcellus (Guinea pig))
Westf£Lische Wilhelms-Universit£T M£Nster

Curated by ChEMBL
LigandPNGBDBM50001028((+)-PENTAZOCINE | (-)-pentazocine | (2R,6R,11R)-6,...)
Affinity DataKi:  5.70nMAssay Description:Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membrane measured after 120 mins by solid scintillation counting methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed