BDBM50199908 3-((7R,8R,9alphaR)-7,8-dimethyl-2-(pyridin-4-ylmethyl)-octahydro-1H-pyrido[1,2-R]pyrazin-8-yl)phenol::CHEMBL219152

SMILES C[C@H]1CN2CCN(Cc3ccncc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1

InChI Key InChIKey=YZAGFNSTLFFQRX-UHFFFAOYSA-N

Data  2 KI  1 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 3 hits for monomerid = 50199908   

TargetMu-type opioid receptor(Human)
Adolor

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50199908BDBM50199908(3-((7R,8R,9alphaR)-7,8-dimethyl-2-(pyridin-4-ylmet...)
Affinity DataKi:  15nMAssay 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
LigandChemical structure of BindingDB Monomer ID 50199908BDBM50199908(3-((7R,8R,9alphaR)-7,8-dimethyl-2-(pyridin-4-ylmet...)
Affinity DataIC50: 18nMAssay 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
TargetDelta-type opioid receptor(Human)
Adolor

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50199908BDBM50199908(3-((7R,8R,9alphaR)-7,8-dimethyl-2-(pyridin-4-ylmet...)
Affinity DataKi:  1.30E+3nMAssay 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