BDBM50199914 3-((7R,8R,9alphaR)-2-benzyl-7,8-dimethyl-octahydro-1H-pyrido-[1,2-R]pyrazin-8-yl)phenol::CHEMBL376690::US8580788, 60

SMILES C[C@H]1CN2CCN(Cc3ccccc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1

InChI Key InChIKey=BWHIDELHAOMALD-UHFFFAOYSA-N

Data  6 KI  4 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 9 hits for monomerid = 50199914   

TargetMu-type opioid receptor(Human)
Adolor

Curated by ChEMBL
LigandPNGBDBM50199914(CHEMBL376690 | US8580788, 60 | 3-((7R,8R,9alphaR)-...)
Affinity DataIC50: 0.730nMAssay 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
TargetMu-type opioid receptor(Human)
Adolor

Curated by ChEMBL
LigandPNGBDBM50199914(CHEMBL376690 | US8580788, 60 | 3-((7R,8R,9alphaR)-...)
Affinity DataKi:  1.10nM ΔG°:  -12.2kcal/mole IC50: 11nMpH: 7.8 T: 2°CAssay Description:The receptor binding method (DeHaven and DeHaven-Hudkins, 1998) was a modification of the method of Raynor et al. (1994). More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2014
Entry Details
US Patent

TargetMu-type opioid receptor(Human)
Adolor

Curated by ChEMBL
LigandPNGBDBM50199914(CHEMBL376690 | US8580788, 60 | 3-((7R,8R,9alphaR)-...)
Affinity DataKi:  1.20nMAssay 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
TargetKappa-type opioid receptor(Human)
Adolor

Curated by ChEMBL
LigandPNGBDBM50199914(CHEMBL376690 | US8580788, 60 | 3-((7R,8R,9alphaR)-...)
Affinity DataIC50: 8.40nMAssay 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
LigandPNGBDBM50199914(CHEMBL376690 | US8580788, 60 | 3-((7R,8R,9alphaR)-...)
Affinity DataKi:  43nMAssay Description:Displacement of [3H]diprenorphine from human cloned 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
LigandPNGBDBM50199914(CHEMBL376690 | US8580788, 60 | 3-((7R,8R,9alphaR)-...)
Affinity DataKi:  44nM ΔG°:  -10.0kcal/molepH: 7.8 T: 2°CAssay Description:The receptor binding method (DeHaven and DeHaven-Hudkins, 1998) was a modification of the method of Raynor et al. (1994). More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2014
Entry Details
US Patent

TargetDelta-type opioid receptor(Human)
Adolor

US Patent
LigandPNGBDBM50199914(CHEMBL376690 | US8580788, 60 | 3-((7R,8R,9alphaR)-...)
Affinity DataKi:  139nM ΔG°:  -9.35kcal/molepH: 7.8 T: 2°CAssay Description:The receptor binding method (DeHaven and DeHaven-Hudkins, 1998) was a modification of the method of Raynor et al. (1994). More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2014
Entry Details
US Patent

TargetDelta-type opioid receptor(Human)
Adolor

US Patent
LigandPNGBDBM50199914(CHEMBL376690 | US8580788, 60 | 3-((7R,8R,9alphaR)-...)
Affinity DataKi:  140nMAssay 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

US Patent
LigandPNGBDBM50199914(CHEMBL376690 | US8580788, 60 | 3-((7R,8R,9alphaR)-...)
Affinity DataIC50: 150nMAssay 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