BDBM50199938 3-((3S,7R,8R,9alphaR)-3-cyclohexyl-7,8-dimethyl-octahydro-1Hpyrido[1,2-R]pyrazin-8-yl)phenol::CHEMBL375119

SMILES C[C@H]1CN2C[C@@H](NC[C@H]2C[C@@]1(C)c1cccc(O)c1)C1CCCCC1

InChI Key InChIKey=BWOMRDADNOYECR-UHFFFAOYSA-N

Data  3 KI  3 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 6 hits for monomerid = 50199938   

TargetKappa-type opioid receptor(Human)
Adolor

Curated by ChEMBL
LigandPNGBDBM50199938(3-((3S,7R,8R,9alphaR)-3-cyclohexyl-7,8-dimethyl-oc...)
Affinity DataIC50: 1.20nMAssay 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
LigandPNGBDBM50199938(3-((3S,7R,8R,9alphaR)-3-cyclohexyl-7,8-dimethyl-oc...)
Affinity DataIC50: 1.30nMAssay 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
LigandPNGBDBM50199938(3-((3S,7R,8R,9alphaR)-3-cyclohexyl-7,8-dimethyl-oc...)
Affinity DataKi:  2.70nMAssay 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
LigandPNGBDBM50199938(3-((3S,7R,8R,9alphaR)-3-cyclohexyl-7,8-dimethyl-oc...)
Affinity DataKi:  16nMAssay 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
TargetDelta-type opioid receptor(Human)
Adolor

Curated by ChEMBL
LigandPNGBDBM50199938(3-((3S,7R,8R,9alphaR)-3-cyclohexyl-7,8-dimethyl-oc...)
Affinity DataIC50: 28nMAssay 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
LigandPNGBDBM50199938(3-((3S,7R,8R,9alphaR)-3-cyclohexyl-7,8-dimethyl-oc...)
Affinity DataKi:  68nMAssay 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