Brief Information of the Compound and Protein
Compound Name
 Compound Info 
4-methyl-1-[5-(4-methylsulfonylpiperazine-1-carbonyl)thieno[2,3-b]pyridin-4-yl]piperidine-4-carbonitrile
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 PubChem ID
CID: 142581406
Canonical SMILES
CC1(CCN(CC1)c1c(cnc2sccc12)C(=O)N1CCN(CC1)S(C)(=O)=O)C#N
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Compound Formula C20H25N5O3S2
Compound Structure
Protein Name
 Protein Info 
Aldehyde dehydrogenase 1A1
Protein Classification
Enzyme
>
Oxidoreductase
Uniprot ID
P00352
Gene Name
ALDH1A1
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000207 MIA PaCa-2
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 2950 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 60 nM