Brief Information of the Compound and Protein
Compound Name
2-[(4-methylphenyl)methylsulfanyl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
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PubChem ID
CID: 135412231
SID: 131528458
Canonical SMILES
Cc1ccc(CSc2nc3CCCc3c(=O)[nH]2)cc1
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Compound Formula C15H16N2OS
Compound Structure
Protein Name
Collagenase 3
Protein Classification
Enzyme
>
Protease
>
Metallo protease
>
Metallo protease MAM clan
>
Metallo protease M10A subfamily
Uniprot ID
P45452
Gene Name
MMP13
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000265 NS0 Mus musculus (Mouse)  2
1
IC50 = 2400 nM
   TI
   LI
   LO
   TS
2
Ki = 800 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 400 nM
2 IC50 = 2400 nM
3 Ki = 824 nM