BDBM50314501 ((4S,5S)-5-((1S,2S)-3-benzamido-2-(benzo[d][1,3]dioxol-5-yl)-1-(methoxymethoxy)propyl)-2,2-dimethyl-1,3-dioxolan-4-yl)methyl 4-methylbenzenesulfonate::CHEMBL1089957

SMILES COCO[C@@H]([C@H](CNC(=O)c1ccccc1)c1ccc2OCOc2c1)[C@@H]1OC(C)(C)O[C@H]1COS(=O)(=O)c1ccc(C)cc1

InChI Key InChIKey=PKWYNQKMEONYAL-ZBBWKFRYSA-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 = 50314501   

TargetCytochrome P450 3A4(Homo sapiens (Human))
Mcmaster University

Curated by ChEMBL
LigandPNGBDBM50314501(((4S,5S)-5-((1S,2S)-3-benzamido-2-(benzo[d][1,3]di...)
Affinity DataKi:  70nMAssay 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 ArticlePubMed