BDBM50199896 3-((2R,3R,7S,9-alpha-S)-2,3-dimethyl-7-phenyl-octahydro-1H-quinolizin-2-yl)phenol::3-((2R,3R,7S,9aS)-2,3-dimethyl-7-phenyl-octahydro-1H-quinolizin-2-yl)phenol::CHEMBL426523::US8580788, 56

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

InChI Key InChIKey=RGXBTFPNFYCKOY-QYAKYFNYSA-N

Data  9 KI  7 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 15 hits for monomerid = 50199896   

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

US Patent
LigandPNGBDBM50199896(3-((2R,3R,7S,9-alpha-S)-2,3-dimethyl-7-phenyl-octa...)
Affinity DataKi:  0.570nM ΔG°:  -12.6kcal/mole IC50:  0.530nMpH: 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
TargetMu-type opioid receptor(Homo sapiens (Human))
Adolor

US Patent
LigandPNGBDBM50199896(3-((2R,3R,7S,9-alpha-S)-2,3-dimethyl-7-phenyl-octa...)
Affinity DataKi:  0.620nMAssay 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

US Patent
LigandPNGBDBM50199896(3-((2R,3R,7S,9-alpha-S)-2,3-dimethyl-7-phenyl-octa...)
Affinity DataKi:  0.620nMAssay Description:Displacement of [3H]diprenorphine from human cloned mu opioid receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetKappa-type opioid receptor(Homo sapiens (Human))
Adolor

US Patent
LigandPNGBDBM50199896(3-((2R,3R,7S,9-alpha-S)-2,3-dimethyl-7-phenyl-octa...)
Affinity DataKi:  8.90nM ΔG°:  -11.0kcal/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 DepthDetails US Patent
TargetKappa-type opioid receptor(Homo sapiens (Human))
Adolor

US Patent
LigandPNGBDBM50199896(3-((2R,3R,7S,9-alpha-S)-2,3-dimethyl-7-phenyl-octa...)
Affinity DataKi:  9nMAssay Description:Displacement of [3H]diprenorphine from human cloned kappa opioid receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetKappa-type opioid receptor(Homo sapiens (Human))
Adolor

US Patent
LigandPNGBDBM50199896(3-((2R,3R,7S,9-alpha-S)-2,3-dimethyl-7-phenyl-octa...)
Affinity DataKi:  9nMAssay 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
TargetDelta-type opioid receptor(Homo sapiens (Human))
Adolor

US Patent
LigandPNGBDBM50199896(3-((2R,3R,7S,9-alpha-S)-2,3-dimethyl-7-phenyl-octa...)
Affinity DataKi:  30nM ΔG°:  -10.3kcal/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
LigandPNGBDBM50199896(3-((2R,3R,7S,9-alpha-S)-2,3-dimethyl-7-phenyl-octa...)
Affinity DataKi:  31nMAssay Description:Displacement of [3H]diprenorphine from human cloned delta 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
LigandPNGBDBM50199896(3-((2R,3R,7S,9-alpha-S)-2,3-dimethyl-7-phenyl-octa...)
Affinity DataKi:  31nMAssay 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

US Patent
LigandPNGBDBM50199896(3-((2R,3R,7S,9-alpha-S)-2,3-dimethyl-7-phenyl-octa...)
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

US Patent
LigandPNGBDBM50199896(3-((2R,3R,7S,9-alpha-S)-2,3-dimethyl-7-phenyl-octa...)
Affinity DataIC50:  0.540nMAssay Description:Antagonist activity against human cloned mu opioid receptor expressed in CHO cells assessed as inhibition of loperamide-stimulated [35S]GTP-gamma-S b...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDelta-type opioid receptor(Homo sapiens (Human))
Adolor

US Patent
LigandPNGBDBM50199896(3-((2R,3R,7S,9-alpha-S)-2,3-dimethyl-7-phenyl-octa...)
Affinity DataIC50:  16nMAssay Description:Antagonist activity against human cloned delta opioid receptor expressed in CHO cells assessed as inhibition of loperamide-stimulated [35S]GTP-gamma-...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMu-type opioid receptor(Homo sapiens (Human))
Adolor

US Patent
LigandPNGBDBM50199896(3-((2R,3R,7S,9-alpha-S)-2,3-dimethyl-7-phenyl-octa...)
Affinity DataIC50:  0.540nMAssay 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
TargetKappa-type opioid receptor(Homo sapiens (Human))
Adolor

US Patent
LigandPNGBDBM50199896(3-((2R,3R,7S,9-alpha-S)-2,3-dimethyl-7-phenyl-octa...)
Affinity DataIC50:  1.20nMAssay Description:Antagonist activity against human cloned kappa opioid receptor expressed in CHO cells assessed as inhibition of loperamide-stimulated [35S]GTPgammaS ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDelta-type opioid receptor(Homo sapiens (Human))
Adolor

US Patent
LigandPNGBDBM50199896(3-((2R,3R,7S,9-alpha-S)-2,3-dimethyl-7-phenyl-octa...)
Affinity DataIC50:  51nMAssay 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