BDBM50649621 CHEMBL5619580

SMILES C[C@@H]1[C@H]2C[C@@H](C[C@H]1NCc1cn([C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)c3ccccc13)C2(C)C

InChI Key

PDB links: 1 PDB ID matches this monomer.

  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 = 50649621   

TargetThioredoxin glutathione reductase(Blood fluke)
University of L'Aquila

Curated by ChEMBL
LigandPNGBDBM50649621(CHEMBL5619580)
Affinity DataIC50: 5.75E+4nMAssay Description:Inhibition of Schistosoma mansoni TGR incubated for 15 mins in presence of NADPHMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMedPDB3D3D Structure (crystal)