BDBM50646329 CHEMBL5590365

SMILES CC[C@H]1C(C(=O)NCCCc2cn(CCCC(=O)Nc3cc(S(=O)(=O)[O-])cc4cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c34)nn2)CC[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@H](CC3CCCCC3)C(=O)[O-])[C@H]2OC(=O)c2ccccc2)[C@@H]1O[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O

InChI Key

  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 2 hits for monomerid = 50646329   

TargetE-selectin(Human)
University of Basel

Curated by ChEMBL
LigandPNGBDBM50646329(CHEMBL5590365)
Affinity DataKd:  740nMAssay Description:Binding affinity to E-selectin SCR2 domain (unknown origin) by isothermal titration calorimetryMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetE-selectin(Human)
University of Basel

Curated by ChEMBL
LigandPNGBDBM50646329(CHEMBL5590365)
Affinity DataKd:  910nMAssay Description:Binding affinity to sialyl LewisX mimetic 21a pretreated Blue-NHS-labelled E-selectin Lec-EGF/SCR1/SCR2 domain (unknown origin) measured after 20 min...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed