BDBM50199943 3-((3S,7R,8R,9alphaR)-7,8-dimethyl-3-phenyl-octahydro-1H-pyrido[1,2-R]pyrazin-8-yl)phenol::CHEMBL219319::US8580788, 63

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

InChI Key InChIKey=HUPDWIIWCCBRMP-ZHODDXKCSA-N

Data  6 KI  4 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50199943   

TargetMu-type opioid receptor(Homo sapiens (Human))
Adolor

Curated by ChEMBL
LigandPNGBDBM50199943(3-((3S,7R,8R,9alphaR)-7,8-dimethyl-3-phenyl-octahy...)
Affinity DataKi:  3.60nMAssay Description:Displacement of [3H]diprenorphine from human cloned mu opioid receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMu-type opioid receptor(Homo sapiens (Human))
Adolor

Curated by ChEMBL
LigandPNGBDBM50199943(3-((3S,7R,8R,9alphaR)-7,8-dimethyl-3-phenyl-octahy...)
Affinity DataKi:  3.60nM ΔG°:  -11.5kcal/mole IC50:  12nMpH: 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 DepthDetails US Patent
TargetKappa-type opioid receptor(Homo sapiens (Human))
Adolor

Curated by ChEMBL
LigandPNGBDBM50199943(3-((3S,7R,8R,9alphaR)-7,8-dimethyl-3-phenyl-octahy...)
Affinity DataKi:  18nMAssay 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 DepthDetails ArticlePubMed
TargetKappa-type opioid receptor(Homo sapiens (Human))
Adolor

Curated by ChEMBL
LigandPNGBDBM50199943(3-((3S,7R,8R,9alphaR)-7,8-dimethyl-3-phenyl-octahy...)
Affinity DataKi:  18nM ΔG°:  -10.6kcal/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 DepthDetails US Patent
TargetDelta-type opioid receptor(Homo sapiens (Human))
Adolor

US Patent
LigandPNGBDBM50199943(3-((3S,7R,8R,9alphaR)-7,8-dimethyl-3-phenyl-octahy...)
Affinity DataKi:  88nM ΔG°:  -9.62kcal/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 DepthDetails US Patent
TargetDelta-type opioid receptor(Homo sapiens (Human))
Adolor

US Patent
LigandPNGBDBM50199943(3-((3S,7R,8R,9alphaR)-7,8-dimethyl-3-phenyl-octahy...)
Affinity DataKi:  89nMAssay Description:Displacement of [3H]diprenorphine from human cloned delta opioid receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetKappa-type opioid receptor(Homo sapiens (Human))
Adolor

Curated by ChEMBL
LigandPNGBDBM50199943(3-((3S,7R,8R,9alphaR)-7,8-dimethyl-3-phenyl-octahy...)
Affinity DataIC50:  3.20nMAssay 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 DepthDetails ArticlePubMed
TargetMu-type opioid receptor(Homo sapiens (Human))
Adolor

Curated by ChEMBL
LigandPNGBDBM50199943(3-((3S,7R,8R,9alphaR)-7,8-dimethyl-3-phenyl-octahy...)
Affinity DataIC50:  1.10nMAssay 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 DepthDetails ArticlePubMed
TargetDelta-type opioid receptor(Homo sapiens (Human))
Adolor

US Patent
LigandPNGBDBM50199943(3-((3S,7R,8R,9alphaR)-7,8-dimethyl-3-phenyl-octahy...)
Affinity DataIC50:  98nMAssay 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 DepthDetails ArticlePubMed