BDBM50218791 2-(2-chloro-4-(2-(2-cyclopentyl-5-((5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl)-4-hydroxy-6-oxo-3,6-dihydro-2H-pyran-2-yl)ethyl)phenyl)-2-methylpropanenitrile::2-[2-chloro-4-(2-{2-cyclopentyl-5-[(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-4-hydroxy-6-oxo-3,6-dihydro-2H-pyran-2-yl}ethyl)phenyl]-2-methylpropanenitrile::CHEMBL230743

SMILES Cc1cc(C)n2nc(CC3C(=O)CC(CCc4ccc(c(Cl)c4)C(C)(C)C#N)(OC3=O)C3CCCC3)nc2n1

InChI Key InChIKey=LNIXNYXBBAPZNC-UHFFFAOYSA-N

Data  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 1 hit for monomerid = 50218791   

TargetCytochrome P450 2D6(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50218791(2-(2-chloro-4-(2-(2-cyclopentyl-5-((5,7-dimethyl-[...)
Affinity DataIC50: 3.90E+3nMAssay Description:Inhibition of CYP2D6 in human liver microsomesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/25/2010
Entry Details Article
PubMed