BDBM83098 (4R,4aS,7aR,12bS)-3-allyl-4a,9-dihydroxy-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-3-ium-7-one;iodide::(4R,4aS,7aR,12bS)-3-methyl-4a,9-bis(oxidanyl)-3-prop-2-enyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-3-ium-7-one;iodide::(4R,4aS,7aR,12bS)-4a,9-dihydroxy-3-methyl-3-prop-2-enyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-3-ium-7-one;iodide::MLS001334009::Naloxone methiodide::SMR000875254::cid_16219719

SMILES C[N+]1(CC=C)CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)CCC4=O)ccc5O

InChI Key InChIKey=PCSQOABIHJXZMR-UHFFFAOYSA-O

Data  3 KI  1 IC50

  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 4 hits for monomerid = 83098   

LigandPNGBDBM83098(Naloxone methiodide | SMR000875254 | MLS001334009 ...)
Affinity DataIC50: 9.74E+3nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/4/2012
Entry Details
PCBioAssay
TargetMu-type opioid receptor(Guinea pig)
University of Catania

Curated by ChEMBL
LigandPNGBDBM83098(Naloxone methiodide | SMR000875254 | MLS001334009 ...)
Affinity DataKi:  18nMAssay Description:Displacement of [3H]-[D-Ala2,MePhe4Gly-ol5]enkephalin from mu opioid receptor in guinea pig brain membranes after 40 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/6/2019
Entry Details Article
PubMed
TargetKappa-type opioid receptor(Guinea pig)
University of Catania

Curated by ChEMBL
LigandPNGBDBM83098(Naloxone methiodide | SMR000875254 | MLS001334009 ...)
Affinity DataKi:  187nMAssay Description:Displacement of [3H]-Ethylketazocine from kappa opioid receptor in guinea pig brain membranes after 40 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/6/2019
Entry Details Article
PubMed
TargetSigma non-opioid intracellular receptor 1(Mouse)
University of Catania

Curated by ChEMBL
LigandPNGBDBM83098(Naloxone methiodide | SMR000875254 | MLS001334009 ...)
Affinity DataKi: >1.00E+3nMAssay Description:Displacement of [3H]-(+)-pentazocin from sigma1 receptor in mouse brain P2 membranes after 240 mins by liquid scintillation counting methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/6/2019
Entry Details Article
PubMed