Brief Information of the Compound and Protein
Compound Name
 Compound Info 
5-chloro-2-N-(3-nitro-5-thiophen-3-ylpyridin-2-yl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
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 PubChem ID
CID: 168295762
Canonical SMILES
[O-][N+](=O)c1cc(cnc1Nc1ncc(Cl)c(Nc2cccc(c2)C(F)(F)F)n1)-c1ccsc1
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Compound Formula C20H12ClF3N6O2S
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 = 197.3 nM
   TI
   LI
   LO
   TS
CL000100 U-937
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 275.6 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 152.4 nM