BDBM50366494 CHEMBL1793853

SMILES CO[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](OCCCc3cccc(CCCO[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](OC)[C@H](O)[C@H](O[C@@]6(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O6)[C@H](O)[C@H](O)CO)C([O-])=O)[C@H]5O)[C@H](O[C@@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]5O)[C@H]4NC(=O)c4ccc5ccccc5c4)c3)[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](O)[C@@H](O[C@@]2(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O2)[C@H](O)[C@H](O)CO)C([O-])=O)[C@H]1O

InChI Key InChIKey=GDKLKLQMFAYPHX-UHFFFAOYSA-L

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 = 50366494   

TargetE-selectin(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50366494(CHEMBL1793853)
Affinity DataIC50: 3.20E+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