Brief Information of the Compound and Protein
Compound Name
2-{4-[(2-Chloro-quinolin-6-ylmethyl)-prop-2-ynyl-amino]-benzoylamino}-pentanedioic acid ; hydrate
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PubChem ID
CID: 14991350
Canonical SMILES
OC(=O)CC[C@H](NC(=O)c1ccc(cc1)N(CC#C)Cc1ccc2nc(Cl)ccc2c1)C(O)=O
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Compound Formula C25H22ClN3O5
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 = 2600 nM
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