BDBM50314500 CHEMBL1091763::N-((2S,3S)-2-(benzo[d][1,3]dioxol-5-yl)-3-((4S,5S)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl)-3-(methoxymethoxy)propyl)benzamide

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

InChI Key InChIKey=CLZGVQMOEWULAZ-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 = 50314500   

TargetCytochrome P450 3A4(Human)
Mcmaster University

Curated by ChEMBL
LigandPNGBDBM50314500(N-((2S,3S)-2-(benzo[d][1,3]dioxol-5-yl)-3-((4S,5S)...)
Affinity DataKi:  1.78E+3nMAssay Description:Inhibition of human recombinant CYP3A4 assessed as biotransformation of 7-hydroxyquinoline to 7-benzyloxyquinoline measured every minute for 15 mins ...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed