BDBM50611958 CHEMBL5277725

SMILES [H][C@]12O[C@]([H])(C=C1)[C@@]1([H])C(=O)N(CCCCCN(Cc3cn(CCOCCO[C@@H]4O[C@@H]([C@@H](O[C@H]5O[C@H](COS(O)(=O)=O)[C@@H](O)[C@H](O)[C@H]5NS(O)(=O)=O)[C@H](O)[C@H]4O)C(O)=O)nn3)C(=O)CCC(O)=O)C(=O)[C@@]21[H]

InChI Key InChIKey=HPXIIPGISNXVBH-UHFFFAOYSA-N

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 = 50611958   

TargetHeparanase(Human)
Guangzhou University of Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50611958(CHEMBL5277725)
Affinity DataIC50: 1.16E+4nMAssay Description:Inhibition of HPSE (unknown origin) using Biotin-heparan sulfate-Eu cryptate as substrate incubated for 60 mins by TR-FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/21/2024
Entry Details
PubMed