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
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50001028   

TargetSigma intracellular receptor 2(Rattus norvegicus (Rat))
Universit£

Curated by ChEMBL
LigandPNGBDBM50001028((+)-PENTAZOCINE | (-)-pentazocine | (2R,6R,11R)-6,...)
Affinity DataKi:  1.47E+3nMAssay Description:Displacement of [3H]-DTG from Sprague-Dawley rat liver Sigma 2 receptor incubated for 120 mins in presence of [3H]-(+)-pentazocine by liquid scintill...More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetSigma intracellular receptor 2(Homo sapiens (Human))
University Of Trieste

Curated by ChEMBL
LigandPNGBDBM50001028((+)-PENTAZOCINE | (-)-pentazocine | (2R,6R,11R)-6,...)
Affinity DataKi:  1.47E+3nMAssay Description:Binding affinity to sigma 2 receptor (unknown origin) assessed as inhibition constant by radioligand binding assayMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetSigma intracellular receptor 2(Homo sapiens (Human))
University Of Trieste

Curated by ChEMBL
LigandPNGBDBM50001028((+)-PENTAZOCINE | (-)-pentazocine | (2R,6R,11R)-6,...)
Affinity DataKi:  1.47E+3nMAssay Description:Displacement of [3H]-di-o-tolylguanidine from sigma2 receptor (unknown origin) incubated for 1 hr in presence of (+)SKF10047 by liquid scintillation ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSigma intracellular receptor 2(Homo sapiens (Human))
University Of Trieste

Curated by ChEMBL
LigandPNGBDBM50001028((+)-PENTAZOCINE | (-)-pentazocine | (2R,6R,11R)-6,...)
Affinity DataKi:  1.88E+3nMAssay Description:Binding affinity to sigma-2 receptor (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed