BDBM50546798 CHEMBL4779026

SMILES CNC(=O)CCS(=O)(=O)N1CCN(CC1)c2ccc3nncn3n2

InChI Key InChIKey=KVLQRUOLMVHSTQ-UHFFFAOYSA-N

Data  1 KI

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50546798   

TargetCathepsin S(Human)
Grunenthal

Curated by ChEMBL
LigandPNGBDBM50546798(CHEMBL4779026)
Affinity DataKi:  700nMAssay Description:Inhibition of recombinant human Cathepsin S expressed in baculovirus infected insect cells using Z-VVR-AMC as substrate preincubated for 15 mins foll...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/21/2022
Entry Details
PubMedPDB3D3D Structure (crystal)