BDBM50248826 (2E)-N-[(1S,5R,13R,14R,17S)-4-(cyclopropylmethyl)-10,17-dihydroxy-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7(18),8,10-trien-14-yl]-3-(2-methoxyphenyl)prop-2-enamide::CHEMBL513598

SMILES COc1ccccc1\C=C\C(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45

InChI Key InChIKey=FNPUPASPXRTPGG-UHFFFAOYSA-N

Data  2 KI  2 EC50

  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 = 50248826   

TargetKappa-type opioid receptor(Human)
University of Bath

Curated by ChEMBL
LigandPNGBDBM50248826((2E)-N-[(1S,5R,13R,14R,17S)-4-(cyclopropylmethyl)-...)
Affinity DataEC50:  0.950nMAssay Description:Agonist activity at human kappa opioid receptor expressed in CHO cell membrane assessed as stimulation of [35S]GTPgammaS bindingMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetMu-type opioid receptor(Rat)
University of Bath

Curated by ChEMBL
LigandPNGBDBM50248826((2E)-N-[(1S,5R,13R,14R,17S)-4-(cyclopropylmethyl)-...)
Affinity DataEC50:  2.10nMAssay Description:Agonist activity at rat mu opioid receptor expressed in rat C6 cell membrane assessed as stimulation of [35S]GTPgammaS bindingMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetMu-type opioid receptor(Rat)
University of Bath

Curated by ChEMBL
LigandPNGBDBM50248826((2E)-N-[(1S,5R,13R,14R,17S)-4-(cyclopropylmethyl)-...)
Affinity DataKi:  0.0850nMAssay Description:Displacement of [3H]diprenorphine from rat mu opioid receptor expressed in rat C6 cell membrane by liquid scintillation and luminescence counterMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetKappa-type opioid receptor(Human)
University of Bath

Curated by ChEMBL
LigandPNGBDBM50248826((2E)-N-[(1S,5R,13R,14R,17S)-4-(cyclopropylmethyl)-...)
Affinity DataKi:  0.340nMAssay Description:Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cell membrane by liquid scintillation and luminescence counterMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed