Brief Information of the Compound and Protein
Compound Name
 Compound Info 
US9422297, PDDF
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 PubChem ID
CID: 135402053
SID: 12013135
Canonical SMILES
Nc1nc(=O)c2cc(CN(CC#C)c3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)ccc2[nH]1
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Compound Formula C24H23N5O6
Compound Structure
Protein Name
 Protein Info 
Thymidylate synthase
Protein Classification
Enzyme
>
Transferase
Uniprot ID
P07607
Gene Name
TYMS
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000266 L1210
 Cell Line Info 
Mus musculus (Mouse)  2
1
IC50 = 14 nM
   TI
   LI
   LO
   TS
2
Ki = 20 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 14 nM
2 IC50 = 20.2 nM
3 IC50 = 50 nM
4 Ki = 4.5 nM