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-UHFFFAOYSA-N

Data  9 KI  7 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 15 hits for monomerid = 50199896   

TargetDelta-type opioid receptor(Human)
Adolor

Curated by ChEMBL
LigandPNGBDBM50199896(US8580788, 56 | CHEMBL426523 | 3-((2R,3R,7S,9-alph...)
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 Depth
Date in BDB:
12/9/2012
Entry Details Article
PubMed
TargetDelta-type opioid receptor(Human)
Adolor

Curated by ChEMBL
LigandPNGBDBM50199896(US8580788, 56 | CHEMBL426523 | 3-((2R,3R,7S,9-alph...)
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 Depth
Date in BDB:
12/9/2012
Entry Details Article
PubMed
TargetKappa-type opioid receptor(Human)
Adolor

Curated by ChEMBL
LigandPNGBDBM50199896(US8580788, 56 | CHEMBL426523 | 3-((2R,3R,7S,9-alph...)
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 Depth
Date in BDB:
12/9/2012
Entry Details Article
PubMed
TargetMu-type opioid receptor(Human)
Adolor

Curated by ChEMBL
LigandPNGBDBM50199896(US8580788, 56 | CHEMBL426523 | 3-((2R,3R,7S,9-alph...)
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 Depth
Date in BDB:
12/9/2012
Entry Details Article
PubMed
TargetKappa-type opioid receptor(Human)
Adolor

Curated by ChEMBL
LigandPNGBDBM50199896(US8580788, 56 | CHEMBL426523 | 3-((2R,3R,7S,9-alph...)
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 Depth
Date in BDB:
12/9/2012
Entry Details Article
PubMed
TargetMu-type opioid receptor(Human)
Adolor

Curated by ChEMBL
LigandPNGBDBM50199896(US8580788, 56 | CHEMBL426523 | 3-((2R,3R,7S,9-alph...)
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 Depth
Date in BDB:
12/9/2012
Entry Details Article
PubMed
TargetMu-type opioid receptor(Human)
Adolor

Curated by ChEMBL
LigandPNGBDBM50199896(US8580788, 56 | CHEMBL426523 | 3-((2R,3R,7S,9-alph...)
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 Depth
Date in BDB:
3/6/2014
Entry Details
Go to US Patent

TargetMu-type opioid receptor(Human)
Adolor

Curated by ChEMBL
LigandPNGBDBM50199896(US8580788, 56 | CHEMBL426523 | 3-((2R,3R,7S,9-alph...)
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 Depth
Date in BDB:
12/9/2012
Entry Details Article
PubMed
TargetMu-type opioid receptor(Human)
Adolor

Curated by ChEMBL
LigandPNGBDBM50199896(US8580788, 56 | CHEMBL426523 | 3-((2R,3R,7S,9-alph...)
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 Depth
Date in BDB:
12/9/2012
Entry Details Article
PubMed
TargetKappa-type opioid receptor(Human)
Adolor

Curated by ChEMBL
LigandPNGBDBM50199896(US8580788, 56 | CHEMBL426523 | 3-((2R,3R,7S,9-alph...)
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 Depth
Date in BDB:
3/6/2014
Entry Details
Go to US Patent

TargetKappa-type opioid receptor(Human)
Adolor

Curated by ChEMBL
LigandPNGBDBM50199896(US8580788, 56 | CHEMBL426523 | 3-((2R,3R,7S,9-alph...)
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 Depth
Date in BDB:
12/9/2012
Entry Details Article
PubMed
TargetKappa-type opioid receptor(Human)
Adolor

Curated by ChEMBL
LigandPNGBDBM50199896(US8580788, 56 | CHEMBL426523 | 3-((2R,3R,7S,9-alph...)
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 Depth
Date in BDB:
12/9/2012
Entry Details Article
PubMed
TargetDelta-type opioid receptor(Human)
Adolor

Curated by ChEMBL
LigandPNGBDBM50199896(US8580788, 56 | CHEMBL426523 | 3-((2R,3R,7S,9-alph...)
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 Depth
Date in BDB:
3/6/2014
Entry Details
Go to US Patent

TargetDelta-type opioid receptor(Human)
Adolor

Curated by ChEMBL
LigandPNGBDBM50199896(US8580788, 56 | CHEMBL426523 | 3-((2R,3R,7S,9-alph...)
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 Depth
Date in BDB:
12/9/2012
Entry Details Article
PubMed
TargetDelta-type opioid receptor(Human)
Adolor

Curated by ChEMBL
LigandPNGBDBM50199896(US8580788, 56 | CHEMBL426523 | 3-((2R,3R,7S,9-alph...)
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 Depth
Date in BDB:
12/9/2012
Entry Details Article
PubMed