BDBM50104841 2-[2-(2-methyltetrahydro-2H-3,4,5pyrantoilmethyl-6-hydroxy-2-hydroxymethyl-5-methylcarboxamidotetrahydro-2H-3-pyranyloxy)-3,5-dihydroxy-6-hydroxymethyltetrahydro-2H-4-pyranyloxy]-4-hydroxy-5-methylcarboxamido-6-(1,2,3-trihydroxypropyl)tetrahydro-2H-2-pyrancarboxylate::CID44340373::rotavirus inhibitor, sialylmimetics 4

SMILES CC1OC(CC2C(NC(C)=O)C(O)OC(CO)C2OC2OC(CO)C(O)C(OC3(CC(O)C(NC(C)=O)C(O3)[C@H](O)[C@@H](O)CO)C([O-])=O)C2O)C(O)C(O)C1O

InChI Key InChIKey=HMOJQLBCXDTQEY-HYOCMIPASA-M

Data  1 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50104841   

TargetE-selectin(Homo sapiens (Human))
Griffith University (Gold Coast Campus)

Curated by ChEMBL
LigandPNGBDBM50104841(2-[2-(2-methyltetrahydro-2H-3,4,5pyrantoilmethyl-6...)
Affinity DataIC50:  7.00E+5nMAssay Description:Inhibitory activity against selectin E was determinedMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed