BDBM50288314 4-{(1R,2R)-1-[(1S,2R)-1-Ethoxycarbonyl-2-((2R,5S,6S)-3,4,5-trihydroxy-6-methyl-tetrahydro-pyran-2-yloxy)-propylcarbamoyl]-2,3-dihydroxy-propylcarbamoyl}-butyric acid anion

SMILES CCOC(=O)[C@@H](NC(=O)[C@H](NC(=O)CCCC([O-])=O)[C@@H](O)CO)[C@@H](C)O[C@@H]1O[C@@H](C)[C@@H](O)C(O)C1O

InChI Key InChIKey=XXBJBGGQTPZQSL-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 = 50288314   

TargetE-selectin(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50288314(4-{(1R,2R)-1-[(1S,2R)-1-Ethoxycarbonyl-2-((2R,5S,6...)
Affinity DataIC50: 5.00E+5nMAssay Description:Ability to inhibit sialyl Lewis X binding to Selectin E was determinedMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/26/2012
Entry Details Article