BDBM50000788 (morphine)4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene-10,14-diol::(naloxone) 4-allyl-10,17-dihydroxy-(1S,5R,13R,17S)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10-trien-14-one::(naloxone)4-allyl-10,17-dihydroxy-(1S,5R,13R,17S)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10-trien-14-one::(naloxone)4-allyl-10,17-dihydroxy-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10-trien-14-one::4-allyl-10,17-dihydroxy-(1S,5R,13R,17S)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10-trien-14-one::4-allyl-10,17-dihydroxy-(1S,5R,13R,17S)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10-trien-14-one (naloxone)::4-allyl-10,17-dihydroxy-(1S,5R,13R,17S)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10-trien-14-one( Naloxone)::4-allyl-10,17-dihydroxy-(1S,5R,13R,17S)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10-trien-14-one(Naxolone)::4-allyl-10,17-dihydroxy-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10-trien-14-one::4-allyl-10,17-dihydroxy-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10-trien-14-one(naloxone)C2H2O4::Analog of 14-(Arylhydroxyamino)codeinone::NALOXONE::NARCAN::SUBOXONE::[17-(2,3-3H-2-propenyl)]-4, 5a -epoxy-3,14-dihydroxymorphinan-6-one

SMILES Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O

InChI Key InChIKey=UZHSEJADLWPNLE-GRGSLBFTSA-N

Data  147 KI  50 IC50  10 Kd  3 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 5 hits for monomerid = 50000788   

TargetMu-type opioid receptor(Rattus norvegicus (rat))
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM50000788((morphine)4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-az...)
Affinity DataKi:  3.70nMAssay Description:Tested for binding affinity towards mu receptor in presence of [3H]-NAL radioligandMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMu-type opioid receptor(Rattus norvegicus (rat))
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM50000788((morphine)4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-az...)
Affinity DataKi:  6.30nMAssay Description:Binding affinity towards mu-opioid receptor by the displacement of [3H]-Nal in rat brain homogenatesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDelta-type opioid receptor(Rattus norvegicus (rat))
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM50000788((morphine)4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-az...)
Affinity DataKi:  32nMAssay Description:Binding affinity towards delta-opioid receptor by displacement of [3H]-DADL in rat brain homogenatesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetKappa-type opioid receptor(Cavia porcellus (domestic guinea pig))
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM50000788((morphine)4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-az...)
Affinity DataKi:  66nMAssay Description:Binding affinity towards kappa opioid receptor by displacement of [3H]-EKC in guinea pig cortical tissueMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetKappa-type opioid receptor(Cavia porcellus (domestic guinea pig))
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM50000788((morphine)4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-az...)
Affinity DataKi:  66nMAssay Description:Tested for binding affinity towards kappa receptor in presence of [3H]-EKC radioligandMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed