BDBM50199935 3-((3S,7R,8R,9alphaR)-2-benzyl-7,8-dimethyl-3-phenyl-octahydro-1H-pyrido[1,2-R]pyrazin-8-yl)phenol::CHEMBL412996

SMILES C[C@H]1CN2C[C@@H](N(Cc3ccccc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1)c1ccccc1

InChI Key InChIKey=YREAXUCMJLVXEL-UHFFFAOYSA-N

Data  3 KI  3 IC50

  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 6 hits for monomerid = 50199935   

TargetMu-type opioid receptor(Human)
Adolor

Curated by ChEMBL
LigandPNGBDBM50199935(3-((3S,7R,8R,9alphaR)-2-benzyl-7,8-dimethyl-3-phen...)
Affinity DataKi:  4.70nMAssay Description:Displacement of [3H]diprenorphine from human cloned mu opioid receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/9/2012
Entry Details Article
PubMed
TargetMu-type opioid receptor(Human)
Adolor

Curated by ChEMBL
LigandPNGBDBM50199935(3-((3S,7R,8R,9alphaR)-2-benzyl-7,8-dimethyl-3-phen...)
Affinity DataIC50: 40nMAssay Description:Antagonist activity assessed as inhibition of loperamide-stimulated [35S]GTPgammaS binding to human mu opioid receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/9/2012
Entry Details Article
PubMed
TargetKappa-type opioid receptor(Human)
Adolor

Curated by ChEMBL
LigandPNGBDBM50199935(3-((3S,7R,8R,9alphaR)-2-benzyl-7,8-dimethyl-3-phen...)
Affinity DataIC50: 99nMAssay Description:Antagonist activity assessed as inhibition of U50488-stimulated [35S]GTP-gamma-S binding to human kappa opioid receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/9/2012
Entry Details Article
PubMed
TargetKappa-type opioid receptor(Human)
Adolor

Curated by ChEMBL
LigandPNGBDBM50199935(3-((3S,7R,8R,9alphaR)-2-benzyl-7,8-dimethyl-3-phen...)
Affinity DataKi:  120nMAssay Description:Antagonist activity assessed as inhibition of U50488-stimulated [35S]GTP-gamma-S binding to human kappa opioid receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/9/2012
Entry Details Article
PubMed
TargetDelta-type opioid receptor(Human)
Adolor

Curated by ChEMBL
LigandPNGBDBM50199935(3-((3S,7R,8R,9alphaR)-2-benzyl-7,8-dimethyl-3-phen...)
Affinity DataKi:  340nMAssay Description:Displacement of [3H]diprenorphine from human cloned delta opioid receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/9/2012
Entry Details Article
PubMed
TargetDelta-type opioid receptor(Human)
Adolor

Curated by ChEMBL
LigandPNGBDBM50199935(3-((3S,7R,8R,9alphaR)-2-benzyl-7,8-dimethyl-3-phen...)
Affinity DataIC50: 1.30E+3nMAssay Description:Antagonist activity assessed as inhibition of BW373U86-stimulated [35S]GTP-gamma-S binding to human delta opioid receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/9/2012
Entry Details Article
PubMed