BDBM50037313 (R)-4-((R)-1-Carboxy-ethylcarbamoyl)-2-{2-fluoro-4-[(2-methyl-4-oxo-3,4-dihydro-quinazolin-6-ylmethyl)-prop-2-ynyl-amino]-benzoylamino}-butyric acid::CHEMBL112185

SMILES C#CCN(Cc1ccc2nc(C)[nH]c(=O)c2c1)c1ccc(C(=O)N[C@H](CCC(=O)N[C@H](C)C(=O)O)C(=O)O)c(F)c1

InChI Key InChIKey=LSTHOLKTMKORNR-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50037313   

TargetThymidylate synthase(Mouse)
Institute of Cancer Research

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50037313BDBM50037313((R)-4-((R)-1-Carboxy-ethylcarbamoyl)-2-{2-fluoro-4...)
Affinity DataIC50: 4.30nMAssay Description:Tested for inhibition against thymidylate synthase(TS) which is partially purified from L1210 mouse leukemia cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/28/2012
Entry Details Article
PubMed