BDBM50199912 3-((3S,7R,8R,9alphaR)-2,7,8-trimethyl-3-phenyl-octahydro-1Hpyrido[1,2-R]pyrazin-8-yl)phenol::CHEMBL218520::US8580788, 64

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

InChI Key InChIKey=KFASSAPEPBYWOW-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 = 50199912   

TargetKappa-type opioid receptor(Human)
Adolor

Curated by ChEMBL
LigandPNGBDBM50199912(CHEMBL218520 | US8580788, 64 | 3-((3S,7R,8R,9alpha...)
Affinity DataIC50: 2.40nMAssay 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
TargetMu-type opioid receptor(Human)
Adolor

Curated by ChEMBL
LigandPNGBDBM50199912(CHEMBL218520 | US8580788, 64 | 3-((3S,7R,8R,9alpha...)
Affinity DataKi:  3.30nMAssay 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
LigandPNGBDBM50199912(CHEMBL218520 | US8580788, 64 | 3-((3S,7R,8R,9alpha...)
Affinity DataKi:  3.30nM ΔG°:  -11.6kcal/mole IC50: 26nMpH: 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

TargetKappa-type opioid receptor(Human)
Adolor

Curated by ChEMBL
LigandPNGBDBM50199912(CHEMBL218520 | US8580788, 64 | 3-((3S,7R,8R,9alpha...)
Affinity DataKi:  12nM ΔG°:  -10.8kcal/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

TargetKappa-type opioid receptor(Human)
Adolor

Curated by ChEMBL
LigandPNGBDBM50199912(CHEMBL218520 | US8580788, 64 | 3-((3S,7R,8R,9alpha...)
Affinity DataKi:  13nMAssay 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
TargetMu-type opioid receptor(Human)
Adolor

Curated by ChEMBL
LigandPNGBDBM50199912(CHEMBL218520 | US8580788, 64 | 3-((3S,7R,8R,9alpha...)
Affinity DataIC50: 26nMAssay 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
TargetDelta-type opioid receptor(Human)
Adolor

Curated by ChEMBL
LigandPNGBDBM50199912(CHEMBL218520 | US8580788, 64 | 3-((3S,7R,8R,9alpha...)
Affinity DataIC50: 580nMAssay 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
TargetDelta-type opioid receptor(Human)
Adolor

Curated by ChEMBL
LigandPNGBDBM50199912(CHEMBL218520 | US8580788, 64 | 3-((3S,7R,8R,9alpha...)
Affinity DataKi:  716nM ΔG°:  -8.38kcal/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

Curated by ChEMBL
LigandPNGBDBM50199912(CHEMBL218520 | US8580788, 64 | 3-((3S,7R,8R,9alpha...)
Affinity DataKi:  2.30E+3nMAssay 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