BDBM50403643 CHEMBL2021325

SMILES COC(=O)N[C@@H]1C(O)C(OC2[C@@H](O)C(CO)O[C@@H](O[C@@H]3C(CO)O[C@@H](OCCCO[C@@H]4CCC[C@@H](C4)OCCCO[C@@H]4OC(CO)[C@@H](O[C@@H]5OC(CO)[C@H](O)C(OC6C(O)[C@@H](NC(=O)OC)C(O[C@H]6C([O-])=O)[C@H](O)[C@H](O)CO)C5O)C(O[C@@H]5OC(C)[C@H](O)C(O)C5O)C4Nc4ccc5ccccc5c4)C(Nc4ccc5ccccc5c4)C3O[C@@H]3OC(C)[C@H](O)C(O)C3O)C2O)[C@@H](OC1[C@H](O)[C@H](O)CO)C(O)=O

InChI Key InChIKey=XLGYDVUMLIXJFU-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 = 50403643   

TargetE-selectin(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50403643(CHEMBL2021325)
Affinity DataIC50: 4.10E+4nMAssay Description:Compound was evaluated for its inhibitory activity against adhesion of HL-60(human promyelocytic leukemia cells) to recombinant human soluble E-selec...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/28/2012
Entry Details Article