BDBM50614394 CHEMBL5273238

SMILES [H][C@@]1(O[C@H]2O[C@H](COS([O-])(=O)=O)[C@@H](O)C[C@@H]2OS([O-])(=O)=O)[C@H](O)[C@@H](O[C@@]2([H])[C@H](O)[C@@H](COS([O-])(=O)=O)O[C@H](O[C@]3([H])[C@H](O)[C@@H](O[C@@]4([H])[C@H](OS([O-])(=O)=O)[C@@H](COS([O-])(=O)=O)O[C@H](O[C@@]5([H])[C@H](O)[C@@H](COS([O-])(=O)=O)O[C@H](O[C@]6([H])[C@H](O)[C@@H](O[C@@]7([H])[C@H](O)[C@@H](COS([O-])(=O)=O)O[C@H](O[C@]8([H])[C@H](O)[C@@H](O[C@@]9([H])[C@H](OS([O-])(=O)=O)[C@@H](COS([O-])(=O)=O)O[C@H](O[C@@]%10([H])[C@H](O)[C@@H](COS([O-])(=O)=O)O[C@H](O[C@]%11([H])[C@H](O)[C@@H](O[C@@]%12([H])[C@H](O)[C@@H](COS([O-])(=O)=O)O[C@H](O[C@]%13([H])[C@H](O)[C@@H](O[C@@]%14([H])[C@H](OS([O-])(=O)=O)[C@@H](COS([O-])(=O)=O)O[C@H](O[C@@]%15([H])[C@H](O)[C@@H](COS([O-])(=O)=O)O[C@H](O[C@]%16([H])[C@H](O)[C@@H](O[C@@]%17([H])[C@H](O)[C@@H](COS([O-])(=O)=O)O[C@H](O[C@]%18([H])[C@H](O)[C@@H](O[C@@]%19([H])[C@H](OS([O-])(=O)=O)[C@@H](COS([O-])(=O)=O)O[C@H](O[C@@]%20([H])[C@H](O)[C@@H](COS([O-])(=O)=O)O[C@H](O[C@]%21([H])[C@H](O)[C@@H](O[C@@]%22([H])[C@H](O)[C@@H](COS([O-])(=O)=O)O[C@H](O[C@]%23([H])[C@H](O)[C@@H](O[C@]%24([H])[C@H](OS([O-])(=O)=O)[C@@H](O)O[C@H](COS([O-])(=O)=O)[C@H]%24OS([O-])(=O)=O)O[C@H](COS([O-])(=O)=O)[C@H]%23OS([O-])(=O)=O)[C@H]%22OS([O-])(=O)=O)O[C@H](COS([O-])(=O)=O)[C@H]%21OS([O-])(=O)=O)[C@H]%20OS([O-])(=O)=O)[C@H]%19OS([O-])(=O)=O)O[C@H](COS([O-])(=O)=O)[C@H]%18OS([O-])(=O)=O)[C@H]%17OS([O-])(=O)=O)O[C@H](COS([O-])(=O)=O)[C@H]%16OS([O-])(=O)=O)[C@H]%15OS([O-])(=O)=O)[C@H]%14OS([O-])(=O)=O)O[C@H](COS([O-])(=O)=O)[C@H]%13OS([O-])(=O)=O)[C@H]%12OS([O-])(=O)=O)O[C@H](COS([O-])(=O)=O)[C@H]%11OS([O-])(=O)=O)[C@H]%10OS([O-])(=O)=O)[C@H]9OS([O-])(=O)=O)O[C@H](COS([O-])(=O)=O)[C@H]8OS([O-])(=O)=O)[C@H]7OS([O-])(=O)=O)O[C@H](COS([O-])(=O)=O)[C@H]6OS([O-])(=O)=O)[C@H]5OS([O-])(=O)=O)[C@H]4OS([O-])(=O)=O)O[C@H](COS([O-])(=O)=O)[C@H]3OS([O-])(=O)=O)[C@H]2OS([O-])(=O)=O)O[C@H](COS([O-])(=O)=O)[C@H]1OS([O-])(=O)=O

InChI Key InChIKey=BVPSKAAUOJFCFL-UHFFFAOYSA-A

Data  2 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 2 hits for monomerid = 50614394   

TargetHeparanase(Human)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50614394(CHEMBL5273238)
Affinity DataIC50: 0.0800nMAssay Description:Inhibition of heparanase (unknown origin)More data for this Ligand-Target Pair
Ligand InfoSimilars
In Depth
Date in BDB:
4/22/2024
Entry Details
PubMed
TargetHeparanase(Human)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50614394(CHEMBL5273238)
Affinity DataIC50: 0.0800nMAssay Description:Inhibition of human heparanase using fondaparinux as substrate incubated for 18 hrs by Polymer-H fluorescence assayMore data for this Ligand-Target Pair
Ligand InfoSimilars
In Depth
Date in BDB:
4/22/2024
Entry Details
PubMed