BDBM586532 CatS_50

SMILES CC(=O)NC1CCN(CCCn2nc(c3CN(CCc23)S(C)(=O)=O)-c2ccc(Cl)c(c2)C#Cc2ccc3CCNCc3c2)CC1

InChI Key InChIKey=MBPKVMHLRGFHEA-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 = 586532   

TargetCathepsin S(Human)
D3R/Abbott

LigandPNGBDBM586532(CatS_50)
Affinity DataIC50: 37nMAssay Description:D3R2020More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/19/2023
Entry Details
D3R