BDBM50511572 CHEMBL4514370

SMILES [N-]=[N+]=NCCCCCC(=O)Nc%10ccc(O[C@@H]9O[C@H](C(=O)[O-])[C@@H](OC8O[C@H](COS(=O)(=O)[O-])C(O[C@@H]7O[C@@H](C(=O)[O-])[C@@H](OC6O[C@H](COS(=O)(=O)[O-])C(O[C@@H]5O[C@@H](C(=O)[O-])[C@@H](OC4O[C@H](COS(=O)(=O)[O-])[C@@H](OC3O[C@H](C(=O)[O-])[C@@H](OC2O[C@H](COS(=O)(=O)[O-])[C@@H](OC1O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H]2NS(=O)(=O)[O-])[C@H](O)[C@H]3O)[C@H](O)[C@H]4NS(=O)(=O)[O-])[C@H](O)[C@H]5OS(=O)(=O)[O-])[C@H](O)[C@H]6NS(=O)(=O)[O-])[C@H](O)[C@H]7OS(=O)(=O)[O-])[C@H](O)[C@H]8NS(=O)(=O)[O-])[C@H](O)[C@H]9O)cc%10

InChI Key InChIKey=GCQXDJMEDYPFTG-UHFFFAOYSA-A

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 = 50511572   

TargetHeparanase(Human)
Wayne State University

Curated by ChEMBL
LigandPNGBDBM50511572(CHEMBL4514370)
Affinity DataIC50: 3.94E+3nMAssay Description:Inhibition of heparanase (unknown origin) using biotin-heparan sulfate-Eu cryptate as substrate preincubated for 10 mins followed by substrate additi...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/20/2021
Entry Details Article
PubMed