BDBM50166213 17-allyloxy-10-hydroxy-4-methyl-(13R,17S)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10-trien-14-one

SMILES C=CCO[C@@]12CCC(=O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(C)C2C5

InChI Key InChIKey=YTYSMQUWSIEJSV-UHFFFAOYSA-N

Data  3 KI  2 IC50

  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 5 hits for monomerid = 50166213   

TargetMu-type opioid receptor(Rat)
Sapienza University of Rome

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50166213BDBM50166213(17-allyloxy-10-hydroxy-4-methyl-(13R,17S)-12-oxa-4...)
Affinity DataKi:  0.610nMAssay Description:Inhibition of [3H]DAMGO binding to opioid receptor mu from rat brain membranesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/4/2012
Entry Details Article
PubMed
TargetMu-type opioid receptor(Guinea pig)
Sapienza University of Rome

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50166213BDBM50166213(17-allyloxy-10-hydroxy-4-methyl-(13R,17S)-12-oxa-4...)
Affinity DataIC50: 17.6nMAssay Description:In vitro agonistic activity against opioid receptor mu of guinea pig ileumMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/4/2012
Entry Details Article
PubMed
TargetKappa-type opioid receptor(Guinea pig)
Sapienza University of Rome

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50166213BDBM50166213(17-allyloxy-10-hydroxy-4-methyl-(13R,17S)-12-oxa-4...)
Affinity DataKi:  33.8nMAssay Description:Inhibition of [3H]U-69593 binding to opioid receptor kappa from guinea pig brain membranesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/4/2012
Entry Details Article
PubMed
TargetDelta-type opioid receptor(Rat)
Sapienza University of Rome

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50166213BDBM50166213(17-allyloxy-10-hydroxy-4-methyl-(13R,17S)-12-oxa-4...)
Affinity DataKi:  36nMAssay Description:Inhibition of [3H][Ile5,6]deltorphin II binding to opioid receptor delta from rat brain membranesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/4/2012
Entry Details Article
PubMed
TargetDelta-type opioid receptor(Mouse)
Sapienza University of Rome

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50166213BDBM50166213(17-allyloxy-10-hydroxy-4-methyl-(13R,17S)-12-oxa-4...)
Affinity DataIC50: 63nMAssay Description:In vitro agonistic activity against opioid receptor delta of mouse vas deferensMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/4/2012
Entry Details Article
PubMed