BDBM50100960 BDBM50214411::CHEMBL3215314::{3,5-Dihydroxy-2-hydroxymethyl-6-[(1R,2R)-2-(3,4,5-trihydroxy-6-methyl-tetrahydro-pyran-2-yloxy)-cyclohexyloxy]-tetrahydro-pyran-4-yloxy}-acetic acid anion

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

InChI Key InChIKey=HVTRYWRQFYDADL-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 = 50100960   

TargetE-selectin(Human)
Monash University (Parkville Campus)

Curated by ChEMBL
LigandPNGBDBM50100960(CHEMBL3215314 | BDBM50214411 | {3,5-Dihydroxy-2-hy...)
Affinity DataIC50: 5.00E+5nMAssay Description:Inhibitory concentration against E-selectinMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/3/2012
Entry Details Article
PubMed
TargetE-selectin(Human)
Monash University (Parkville Campus)

Curated by ChEMBL
LigandPNGBDBM50100960(CHEMBL3215314 | BDBM50214411 | {3,5-Dihydroxy-2-hy...)
Affinity DataIC50: 1.00E+7nMAssay Description:Compound was tested for its ability to inhibit the binding to recombinant human Selectin E immobilized on SPA beads of radiolabeled HL60 cell membran...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/27/2012
Entry Details Article