BDBM50248795 (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-(3-nitrophenyl)prop-2-enamide::CHEMBL454018

SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)\C=C\c1cccc(c1)[N+]([O-])=O

InChI Key InChIKey=JVTNCAMTSNWREU-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 = 50248795   

TargetKappa-type opioid receptor(Human)
University of Bath

Curated by ChEMBL
LigandPNGBDBM50248795((2E)-N-[(1S,5R,13R,14R,17S)-4-(cyclopropylmethyl)-...)
Affinity DataEC50:  0.120nMAssay 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
LigandPNGBDBM50248795((2E)-N-[(1S,5R,13R,14R,17S)-4-(cyclopropylmethyl)-...)
Affinity DataEC50:  0.180nMAssay 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
LigandPNGBDBM50248795((2E)-N-[(1S,5R,13R,14R,17S)-4-(cyclopropylmethyl)-...)
Affinity DataKi:  0.110nMAssay 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
LigandPNGBDBM50248795((2E)-N-[(1S,5R,13R,14R,17S)-4-(cyclopropylmethyl)-...)
Affinity DataKi:  0.360nMAssay 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