BDBM50291604 CHEMBL3215457::CHEMBL441009::Sialyl Lewis X Analog

SMILES C[C@H]1O[C@H](O[C@H]2[C@@H](NC(=O)c3ccc4ccccc4c3)[C@@H](OCc3cccc(CO[C@@H]4O[C@@H](CO)[C@@H](O[C@@H]5O[C@@H](CO)[C@H](O)[C@H](O[C@@]6(C[C@@H](O)[C@@H](NC(C)=O)[C@@H](O6)[C@H](O)[C@H](O)CO)C([O-])=O)[C@@H]5O)[C@H](O[C@@H]5O[C@@H](C)[C@@H](O)[C@H](O)[C@@H]5O)[C@@H]4NC(=O)c4ccc5ccccc5c4)c3)O[C@H](CO)[C@@H]2O[C@H]2O[C@H](CO)[C@@H](O)[C@@H](O[C@]3(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)[C@H](O)[C@H]1O

InChI Key InChIKey=VYRHKDVFIRXACO-UHFFFAOYSA-L

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 = 50291604   

TargetE-selectin(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50291604(Sialyl Lewis X Analog | CHEMBL441009 | CHEMBL32154...)
Affinity DataIC50: 3.00E+4nMAssay Description:Compound was evaluated for its inhibitory activity against adhesion of HL-60(human promyelocytic leukemia cells) to recombinant human soluble E-selec...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/28/2012
Entry Details Article