BDBM50051836 CHEMBL2368519::Ethyl(Sodium 5-actamido-3,5-dideoxy-alpha-D-glycero-D-galacto-nonulopyronosylonate)-(2,3)-O-(beta-D-galactopyranosyl)-(1,4)-O(alpha-L-fucopyranosyl)-(1,3)-O-[2-(2-naphthamido)-2-deoxy-beta-D-glucopyranosyl]-(1,3)-O-beta-D-galactopyranoside

SMILES [H][C@]1(O[C@@](C[C@@H](O)[C@H]1NC(C)=O)(O[C@H]1[C@@H](O)[C@H](CO)O[C@@H](O[C@@H]2[C@H](CO)O[C@@H](O[C@H]3[C@@H](O)[C@H](CO)O[C@@H](OCC)[C@H]3O)[C@@H](NC(=O)c3ccc4ccccc4c3)[C@H]2O[C@@H]2O[C@@H](C)[C@@H](O)[C@H](O)[C@@H]2O)[C@H]1O)C([O-])=O)[C@H](O)[C@H](O)CO

InChI Key InChIKey=GVWMOMMEDSHRRE-UHFFFAOYSA-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
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50051836   

TargetE-selectin(Human)
Cytel

Curated by ChEMBL
LigandPNGBDBM50051836(Ethyl(Sodium 5-actamido-3,5-dideoxy-alpha-D-glycer...)
Affinity DataIC50: 8.00E+4nMAssay Description:Compound was tested for the inhibition of E-selectin-mediated cellular adhesionMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed