BDBM50001033 (-)-Pentazocine::3-But-2-enyl-6,11-dimethyl-1,2,3,4,5,6-hexahydro-2,6-methano-benzo[d]azocin-8-ol::REL-PENTAZOCINE

SMILES [H][C@]12[#6]-c3ccc(-[#8])cc3[C@]([#6])([#6]-[#6]-[#7]1-[#6]\[#6]=[#6](/[#6])-[#6])[#6@@H]2-[#6]

InChI Key InChIKey=NTESFUMRHWXLJE-UHFFFAOYSA-N

Data  8 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50001033   

TargetKappa-type opioid receptor(Human)
National Taiwan University

Curated by ChEMBL
LigandPNGBDBM50001033(3-But-2-enyl-6,11-dimethyl-1,2,3,4,5,6-hexahydro-2...)
Affinity DataKi:  2.20nMAssay Description:Displacement of [125I]OXY from human kappa opioid receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/31/2010
Entry Details Article
PubMed
TargetKappa-type opioid receptor(Human)
National Taiwan University

Curated by ChEMBL
LigandPNGBDBM50001033(3-But-2-enyl-6,11-dimethyl-1,2,3,4,5,6-hexahydro-2...)
Affinity DataKi:  3nMAssay Description:Displacement of [3H]U69593 form human kappa opioid receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/18/2012
Entry Details Article
PubMed
TargetMu-type opioid receptor(Human)
National Taiwan University

Curated by ChEMBL
LigandPNGBDBM50001033(3-But-2-enyl-6,11-dimethyl-1,2,3,4,5,6-hexahydro-2...)
Affinity DataKi:  3.90nMAssay Description:Displacement of [125I]OXY from human mu opioid receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/31/2010
Entry Details Article
PubMed
TargetMu-type opioid receptor(Human)
National Taiwan University

Curated by ChEMBL
LigandPNGBDBM50001033(3-But-2-enyl-6,11-dimethyl-1,2,3,4,5,6-hexahydro-2...)
Affinity DataKi:  6.90nMAssay Description:Displacement of [3H]DAMGO form human mu opioid receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/18/2012
Entry Details Article
PubMed
TargetMu-type opioid receptor(Rat)
Research Triangle Institute

Curated by ChEMBL
LigandPNGBDBM50001033(3-But-2-enyl-6,11-dimethyl-1,2,3,4,5,6-hexahydro-2...)
Affinity DataKi:  13nMAssay Description:Binding affinity against opioid receptor mu using [3H]-DAMGO as radioligand.More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/22/2012
Entry Details Article
PubMed
TargetSigma non-opioid intracellular receptor 1(Rat)
National Taiwan University

Curated by ChEMBL
LigandPNGBDBM50001033(3-But-2-enyl-6,11-dimethyl-1,2,3,4,5,6-hexahydro-2...)
Affinity DataKi:  16nMAssay Description:Displacement of [3H](+)-pentazocine from sigma1 receptor in rat brain homogenateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/31/2010
Entry Details Article
PubMed
TargetDelta-type opioid receptor(Human)
National Taiwan University

Curated by ChEMBL
LigandPNGBDBM50001033(3-But-2-enyl-6,11-dimethyl-1,2,3,4,5,6-hexahydro-2...)
Affinity DataKi:  49nMAssay Description:Displacement of [125I]OXY from human delta opioid receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/31/2010
Entry Details Article
PubMed
TargetDelta-type opioid receptor(Human)
National Taiwan University

Curated by ChEMBL
LigandPNGBDBM50001033(3-But-2-enyl-6,11-dimethyl-1,2,3,4,5,6-hexahydro-2...)
Affinity DataKi:  180nMAssay Description:Displacement of [3H]Naltrindole form human delta opioid receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/18/2012
Entry Details Article
PubMed