Brief Information of the Compound and Protein
Compound Name
2-{4-[(2-Acetylamino-4-chloro-quinolin-6-ylmethyl)-prop-2-ynyl-amino]-benzoylamino}-pentanedioic acid TFA with hydrate
    Show/Hide
PubChem ID
CID: 44325945
Canonical SMILES
C#CCN(Cc1ccc2nc(NC(C)=O)cc(Cl)c2c1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1.O=C(O)C(F)(F)F
    Show/Hide
Compound Formula C29H26ClF3N4O8
Compound Structure
Protein Name
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 Mus musculus (Mouse)  1
1
IC50 = 1200 nM
   TI
   LI
   LO
   TS