Brief Information of the Compound and Protein
Compound Name
 Compound Info 
(2R)-N-(cyanomethyl)-4-methyl-2-{3-[4-(piperazin-1-yl)phenyl]phenyl}pentanamide
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 PubChem ID
CID: 9908450
SID: 14878557
Canonical SMILES
CC(C)C[C@@H](C(=O)NCC#N)c1cccc(c1)-c1ccc(cc1)N1CCNCC1
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Compound Formula C24H30N4O
Compound Structure
Protein Name
 Protein Info 
Cathepsin S
Protein Classification
Enzyme
>
Protease
>
Cysteine protease
>
Cysteine protease CA clan
>
Cysteine protease C1A family
Uniprot ID
P25774
Gene Name
CTSS
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000003 Ramos
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 1340 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 2010 nM
2 IC50 = 20000 nM
3 Ki = 1695 nM