BDBM50300544 ((4S,5S)-5-((1R,2R)-3-benzamido-2-(benzo[d][1,3]dioxol-5-yl)-1-(methoxymethoxy)propyl)-2,2-dimethyl-1,3-dioxolan-4-yl)methyl acetate::CHEMBL573149

SMILES COCO[C@H]([C@@H](CNC(=O)c1ccccc1)c1ccc2OCOc2c1)[C@@H]1OC(C)(C)O[C@H]1COC(C)=O

InChI Key InChIKey=FHVJGMXAQMTCSW-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 = 50300544   

TargetCytochrome P450 3A4(Human)
Mcmaster University

Curated by ChEMBL
LigandPNGBDBM50300544(((4S,5S)-5-((1R,2R)-3-benzamido-2-(benzo[d][1,3]di...)
Affinity DataKi:  1.01E+3nMAssay Description:Inhibition of human recombinant CYP3A4 assessed as biotransformation of 7-benzyloxyquinoline to 7-hydroxyquinoline measured every 15 mins by fluoresc...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/30/2010
Entry Details Article
PubMed