BDBM50096887 (S)-2-{3,5-Dihydroxy-2-sulfooxymethyl-6-[2-(3,4,5-trihydroxy-6-methyl-tetrahydro-pyran-2-yloxy)-cyclohexyloxy]-tetrahydro-pyran-4-yloxy}-3-phenyl-propionic acid; sodium salt::CHEMBL3215407

SMILES C[C@@H]1O[C@@H](O[C@@H]2CCCC[C@H]2O[C@@H]2O[C@@H](COS([O-])(=O)=O)[C@H](O)[C@H](O[C@@H](Cc3ccccc3)C([O-])=O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O

InChI Key InChIKey=HKANVTDSZSMHMV-UHFFFAOYSA-L

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 = 50096887   

TargetE-selectin(Human)
Novartis Pharma

Curated by ChEMBL
LigandPNGBDBM50096887((S)-2-{3,5-Dihydroxy-2-sulfooxymethyl-6-[2-(3,4,5-...)
Affinity DataIC50: 1.00E+7nMAssay Description:Inhibitory concentration of compound to block the binding of sLE Xto E-selectinMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/4/2012
Entry Details Article
PubMed