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
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 13 hits for monomerid = 50000788   

TargetMu-type opioid receptor(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50000788((morphine)4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-az...)
Affinity DataKi:  1.60nMAssay Description:Displacement of [3H]DAGO from mu opioid receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetDelta-type opioid receptor(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50000788((morphine)4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-az...)
Affinity DataKi:  43nMAssay Description:Displacement of [3H]DPDPE from delta opioid receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

Target5-hydroxytryptamine receptor 7(Rattus norvegicus (rat))
TBA

Curated by PDSP Ki Database
LigandPNGBDBM50000788((morphine)4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-az...)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 7(Rattus norvegicus (rat))
TBA

Curated by PDSP Ki Database
LigandPNGBDBM50000788((morphine)4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-az...)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMu-type opioid receptor(Rattus norvegicus (rat))
TBA

Curated by ChEMBL
LigandPNGBDBM50000788((morphine)4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-az...)
Affinity DataKd:  0.400nMAssay Description:Opioid receptor mu 1 affinity against the receptor site model site 1 (mu1)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDelta-type opioid receptor(Rattus norvegicus (rat))
TBA

Curated by ChEMBL
LigandPNGBDBM50000788((morphine)4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-az...)
Affinity DataKd:  18nMAssay Description:Affinity against the Opioid receptor delta 1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetKappa-type opioid receptor(Rattus norvegicus (rat))
TBA

Curated by ChEMBL
LigandPNGBDBM50000788((morphine)4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-az...)
Affinity DataKd:  1nMAssay Description:Compound was evaluated for Opioid receptor kappa 1 affinity against the receptor site model site 4(kappa)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM50000788((morphine)4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-az...)
Affinity DataIC50:  44nMAssay Description:Inhibition of stereospecific [3H]diprenorphine binding to opioid receptors of rat brain homogenates by 50% in the presence of NaMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM50000788((morphine)4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-az...)
Affinity DataIC50:  150nMAssay Description:Inhibition of stereospecific [3H]diprenorphine binding to opioid receptors of rat brain homogenates by 50% in the absence of NaMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM50000788((morphine)4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-az...)
Affinity DataIC50:  12nMAssay Description:Inhibition of [3H]naloxone binding to rat brain membrane with 100 mM NaCl.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM50000788((morphine)4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-az...)
Affinity DataIC50:  1.40nMAssay Description:Inhibition of [3H]-Naloxone binding to rat brain membrane without NaClMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM50000788((morphine)4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-az...)
Affinity DataKd:  154nMAssay Description:Evaluated for Opioid receptor mu 1 affinity against the receptor site model site 1(mu1)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMu-type opioid receptor(Rattus norvegicus (rat))
TBA

Curated by ChEMBL
LigandPNGBDBM50000788((morphine)4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-az...)
Affinity DataKd:  0.400nMAssay Description:Opioid receptor mu 1 affinity against the receptor site model site 1 (mu1)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed