BDBM50199936 3-((7R,8R,9alphaR)-7,8-dimethyl-2-(3-methylbenzyl)-octahydro-1H-pyrido[1,2-R]pyrazin-8-yl)phenol::CHEMBL217998

SMILES C[C@H]1CN2CCN(Cc3cccc(C)c3)C[C@H]2C[C@@]1(C)c1cccc(O)c1

InChI Key InChIKey=HFHJOAAYBGRLBO-UHFFFAOYSA-N

Data  3 KI  1 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 4 hits for monomerid = 50199936   

TargetMu-type opioid receptor(Human)
Adolor

Curated by ChEMBL
LigandPNGBDBM50199936(3-((7R,8R,9alphaR)-7,8-dimethyl-2-(3-methylbenzyl)...)
Affinity DataKi:  1.30nMAssay 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
LigandPNGBDBM50199936(3-((7R,8R,9alphaR)-7,8-dimethyl-2-(3-methylbenzyl)...)
Affinity DataIC50: 1.5nMAssay 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
LigandPNGBDBM50199936(3-((7R,8R,9alphaR)-7,8-dimethyl-2-(3-methylbenzyl)...)
Affinity DataKi:  130nMAssay 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
LigandPNGBDBM50199936(3-((7R,8R,9alphaR)-7,8-dimethyl-2-(3-methylbenzyl)...)
Affinity DataKi:  510nMAssay 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