BDBM50111453 (4R,5S)-2-{[(3S,4S,5S)-2-{[(2S,3S)-5-acetamido-6-hydroxy-2-(hydroxymethyl)-4-{[(2S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-3-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}-4-hydroxy-5-[({2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]acetamido}carbonyl)amino]-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate::Beta-C-Mannoside derivative(sLex)

SMILES C[C@@H]1O[C@@H](OC2C(NC(C)=O)C(O)O[C@@H](CO)[C@H]2OC2OC(CO)[C@H](O)[C@H](OC3(C[C@@H](O)[C@H](NC(=O)NC(=O)CC4OC(CO)C(O)C(O)C4O)C(O3)[C@H](O)[C@H](O)CO)C([O-])=O)[C@@H]2O)C(O)C(O)C1O

InChI Key InChIKey=WBPREADYEVLIKN-LKTVTOOTSA-M

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 = 50111453   

TargetAlpha-1-acid glycoprotein 1(Homo sapiens (Human))
Wyeth Research

Curated by ChEMBL
LigandPNGBDBM50111453((4R,5S)-2-{[(3S,4S,5S)-2-{[(2S,3S)-5-acetamido-6-h...)
Affinity DataIC50:  8.00E+6nMAssay Description:Ability to inhibit the binding of E-selectin to human recombinant AGP (alpha-1 acid glycoprotein) in a E-selectin assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed