BDBM50096894 CHEMBL3215408::Sodium; (R)-3-cyclohexyl-2-{3,5-dihydroxy-2-hydroxymethyl-6-[2-(3,4,5-trihydroxy-6-methyl-tetrahydro-pyran-2-yloxy)-cyclohexyloxy]-tetrahydro-pyran-4-yloxy}-propionate::Sodium; 3-cyclohexyl-2-{2,3,5-trihydroxy-6-[2-(3,4,5-trihydroxy-6-methyl-tetrahydro-pyran-2-yloxy)-cyclohexyloxy]-tetrahydro-pyran-4-yloxy}-propionate

SMILES [H][C@@](CC1CCCCC1)(O[C@H]1[C@@H](O)[C@H](CO)O[C@@H](O[C@@H]2CCCC[C@H]2O[C@@H]2O[C@@H](C)[C@@H](O)[C@H](O)[C@@H]2O)[C@H]1O)C([O-])=O

InChI Key InChIKey=GNTJIZLFEURZBX-UHFFFAOYSA-M

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 = 50096894   

TargetE-selectin(Human)
Novartis Pharma

Curated by ChEMBL
LigandPNGBDBM50096894(Sodium; 3-cyclohexyl-2-{2,3,5-trihydroxy-6-[2-(3,4...)
Affinity DataIC50: 8.00E+4nMAssay 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