BDBM50511580 CHEMBL4540273

SMILES [H][C@@]1(O[C@H]2[C@H](O)[C@@H](NS([O-])(=O)=O)[C@@]([H])(O[C@H]3[C@H](O)[C@@H](OS([O-])(=O)=O)[C@H](O[C@@]4([H])[C@H](O)[C@@H](NS([O-])(=O)=O)[C@@]([H])(O[C@H]5[C@H](O)[C@@H](OS([O-])(=O)=O)[C@H](O[C@@]6([H])[C@H](O)[C@@H](NS([O-])(=O)=O)[C@@]([H])(O[C@H]7[C@H](O)[C@@H](O)[C@H](Oc8ccc(cc8)[N+]([O-])=O)O[C@@H]7C([O-])=O)O[C@@H]6COS([O-])(=O)=O)O[C@H]5C([O-])=O)O[C@@H]4COS([O-])(=O)=O)O[C@H]3C([O-])=O)O[C@@H]2COS([O-])(=O)=O)O[C@@H]([C@@H](O[C@@]2([H])O[C@H](COS([O-])(=O)=O)[C@@H](O)[C@H](O)[C@H]2NS([O-])(=O)=O)[C@H](O)[C@H]1O)C([O-])=O

InChI Key InChIKey=YJLGXSZPKLDHAX-UHFFFAOYSA-A

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50511580   

TargetHeparanase(Human)
Wayne State University

Curated by ChEMBL
LigandPNGBDBM50511580(CHEMBL4540273)
Affinity DataIC50: 4.17E+4nMAssay 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