BDBM50313785 (2S,4S,5R,6R)-5-acetamido-2-((2S,3R,4S,5S,6R)-2-((2R,3S,4R,5R)-5-acetamido-1,2-dihydroxy-6-oxo-4-((2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yloxy)hexan-3-yloxy)-3,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yloxy)-4-hydroxy-6-((1R,2R)-1,2,3-trihydroxypropyl)tetrahydro-2H-pyran-2-carboxylic acid::CHEMBL1077186

SMILES C[C@@H]1O[C@H](O[C@H]([C@@H](NC(C)=O)C=O)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](OC3(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)CO)[C@@H](O)[C@H](O)[C@@H]1O

InChI Key InChIKey=LAQPKDLYOBZWBT-UHFFFAOYSA-N

Data  2 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 2 hits for monomerid = 50313785   

TargetE-selectin(Human)
University of Rouen Normandy

Curated by ChEMBL
LigandPNGBDBM50313785((2S,4S,5R,6R)-5-acetamido-2-((2S,3R,4S,5S,6R)-2-((...)
Affinity DataIC50: 3.00E+5nMAssay Description:Inhibition of human recombinant E-Selectin assessed as inhibition of binding of HL-60 cells expressing tetrasaccharide sialyl Lewis x to selectin coa...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/18/2010
Entry Details Article
PubMed
TargetP-selectin(Human)
University of Rouen Normandy

Curated by ChEMBL
LigandPNGBDBM50313785((2S,4S,5R,6R)-5-acetamido-2-((2S,3R,4S,5S,6R)-2-((...)
Affinity DataIC50: 5.00E+6nMAssay Description:Inhibition of human recombinant P-Selectin assessed as inhibition of binding of HL-60 cells expressing tetrasaccharide sialyl Lewis x to selectin coa...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/18/2010
Entry Details Article
PubMed