BDBM50035131 (+)-(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::(-)-PENTAZOCINE::(1S,9S,13S)-1,13-dimethyl-10-(3-methylbut-2-enyl)-10-azatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-4-ol::(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::(2R,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::(2S,3R,6S,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::(2S,6S,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::(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-ethano-benzo[d]azocin-8-ol(+)-pentazocine::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)::6,11-Dimethyl-3-(3-methyl-but-2-enyl)-1,2,3,4,5,6-hexahydro-2,6-methano-benzo[d]azocin-8-ol anion::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)::CHEMBL60542

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-CCKFTAQKSA-N

Data  87 KI  5 IC50  2 Kd

PDB links: 1 PDB ID matches this monomer.

  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 2 hits for monomerid = 50035131   

TargetSigma non-opioid intracellular receptor 1(Homo sapiens (Human))
Research Triangle Institute

Curated by ChEMBL
LigandPNGBDBM50035131((+)-(6R,11S)-6,11-dimethyl-3-(3-methyl-but-2-enyl)...)
Affinity DataKi:  3.10nMAssay Description:Binding affinity of the compound was measured on Sigma receptor type 1 using [3H]- pentazocine as radioligandMore data for this Ligand-Target Pair
TargetSigma non-opioid intracellular receptor 1(RAT)
Research Triangle Institute

Curated by ChEMBL
LigandPNGBDBM50035131((+)-(6R,11S)-6,11-dimethyl-3-(3-methyl-but-2-enyl)...)
Affinity DataKi:  1.54E+3nMAssay Description:Binding affinity was measured on Sigma receptor type 2 using [3H]- DTG as radioligandMore data for this Ligand-Target Pair