BDBM50096892 4-((S)-1-Carboxy-2-phenyl-ethoxy)-3,5-dihydroxy-6-[2-(3,4,5-trihydroxy-6-methyl-tetrahydro-pyran-2-yloxy)-cyclohexyloxy]-tetrahydro-pyran-2-ylmethyl-ammonium;sodium salt::CHEMBL433856

SMILES CC1OC(OC2CCCCC2OC2OC(C[NH3+])C(O)C(O[C@@H](Cc3ccccc3)C([O-])=O)C2O)C(O)C(O)C1O

InChI Key InChIKey=MWXGJLPNACPWHD-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 = 50096892   

TargetE-selectin(Human)
Novartis Pharma

Curated by ChEMBL
LigandPNGBDBM50096892(4-((S)-1-Carboxy-2-phenyl-ethoxy)-3,5-dihydroxy-6-...)
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