BDBM586612 CatS_130

SMILES Cn1c2ccc(Cl)cc2n(C2CCN(CCCn3nc(c4CN(CCc34)S(C)(=O)=O)-c3ccc(c(SCC(=O)N4CCOCC4)c3)C(F)(F)F)CC2)c1=O

InChI Key InChIKey=HHKOMPCYMDIMNU-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 = 586612   

TargetCathepsin S(Human)
D3R/Abbott

LigandPNGBDBM586612(CatS_130)
Affinity DataIC50: 20nMAssay Description:D3R2020More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/19/2023
Entry Details
D3R