Brief Information of the Compound and Protein
Compound Name
 Compound Info 
1-[4-[6-[[5-chloro-4-[3-(trifluoromethyl)anilino]pyrimidin-2-yl]amino]pyridin-3-yl]piperazin-1-yl]ethanone
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Canonical SMILES
CC(=O)N1CCN(CC1)c1ccc(Nc2ncc(Cl)c(Nc3cccc(c3)C(F)(F)F)n2)nc1
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Compound Formula C22H21ClF3N7O
Compound Structure
Protein Name
 Protein Info 
Dipeptidyl peptidase 1
Protein Classification
Enzyme
>
Protease
>
Cysteine protease
>
Cysteine protease CA clan
>
Cysteine protease C1A family
Uniprot ID
P53634
Gene Name
CTSC
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000040 THP-1
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 660 nM
   TI
   LI
   LO
   TS
CL000100 U-937
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 520 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 308 nM