BDBM50098171 CHEMBL3215450::Sodium; (R)-3-cyclohexyl-2-{3,5-dihydroxy-2-hydroxymethyl-6-[2-hydroxymethyl-3-(3,4,5-trihydroxy-6-methyl-tetrahydro-pyran-2-yloxy)-tetrahydro-pyran-4-yloxy]-tetrahydro-pyran-4-yloxy}-propionate

SMILES C[C@@H]1O[C@@H](O[C@H]2[C@@H](CCO[C@H]2CO)O[C@@H]2O[C@@H](CO)[C@H](O)[C@H](O[C@@H](CC3CCCCC3)C([O-])=O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O

InChI Key InChIKey=NRCMTTYCOBZGOX-UHFFFAOYSA-M

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50098171   

TargetE-selectin(Human)
Novartis Pharma

Curated by ChEMBL
LigandPNGBDBM50098171(Sodium; (R)-3-cyclohexyl-2-{3,5-dihydroxy-2-hydrox...)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibitory concentration against Selectin E in a dynamic flow assay.More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed