BDBM50262567 ((2S,3S)-2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yl)-(5-isopropyl-2-methoxy-benzyl)-amine::CHEMBL515966::EZLOPITANT

SMILES COc1ccc(cc1CN[C@H]1C2CCN(CC2)[C@H]1C(c1ccccc1)c1ccccc1)C(C)C

InChI Key InChIKey=XPNMCDYOYIKVGB-UHFFFAOYSA-N

Data  1 KI

  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 1 hit for monomerid = 50262567   

TargetCytochrome P450 2D6(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50262567(CHEMBL515966 | ((2S,3S)-2-Benzhydryl-1-aza-bicyclo...)
Affinity DataKi:  420nMAssay Description:Binding affinity to human CYP2D6 using bufuralol as substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed