BDBM50288315 5-{(2S,3R,4S)-3,4-Dihydroxy-2-[(1R,2R)-2-((2R,5S,6S)-3,4,5-trihydroxy-6-methyl-tetrahydro-pyran-2-yloxy)-cyclohexylcarbamoyl]-pyrrolidin-1-yl}-5-oxo-pentanoic acid anion

SMILES C[C@@H]1O[C@@H](O[C@@H]2CCCC[C@H]2NC(=O)[C@@H]2[C@@H](O)[C@@H](O)CN2C(=O)CCCC([O-])=O)C(O)C(O)[C@@H]1O

InChI Key InChIKey=HNZPCHOXAUPRQB-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 = 50288315   

TargetE-selectin(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50288315(5-{(2S,3R,4S)-3,4-Dihydroxy-2-[(1R,2R)-2-((2R,5S,6...)
Affinity DataIC50: 5.00E+6nMAssay 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