BDBM50111452 (4R,5S)-5-[({[6-({[(1S)-1,3-dicarboxypropyl]carbamoyl}methyl)-3,4,5-trihydroxyoxan-2-yl]methyl}carbamoyl)amino]-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-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)NCC4OC(CC(=O)N[C@@H](CCC(O)=O)C(O)=O)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=GVQCSYXNJKPHHM-UHFFFAOYSA-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 = 50111452   

TargetP-selectin glycoprotein ligand 1(Human)
Wyeth Research

Curated by ChEMBL
LigandPNGBDBM50111452((4R,5S)-5-[({[6-({[(1S)-1,3-dicarboxypropyl]carbam...)
Affinity DataIC50: 2.50E+8nMAssay Description:Ability to inhibit the binding of P-selectin glycoprotein ligand 1 (PSGL-1) fusion protein to immobilized soluble P-selectin in a P-selectin assay.More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/27/2012
Entry Details Article
PubMed