BDBM50081250 (S)-2-{4-[(2,7-Dimethyl-4-oxo-3,4-dihydro-quinazolin-6-ylmethyl)-prop-2-ynyl-amino]-2-fluoro-benzoylamino}-5-oxo-5-(toluene-4-sulfonylamino)-pentanoic acid::CHEMBL126242

SMILES Cc1ccc(cc1)S(=O)(=O)NC(=O)CC[C@H](NC(=O)c1ccc(cc1F)N(CC#C)Cc1cc2c(cc1C)nc(C)[nH]c2=O)C(O)=O

InChI Key InChIKey=QFEQCFQLFPXLAB-NDEPHWFRSA-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 = 50081250   

TargetThymidylate synthase(Mus musculus)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50081250((S)-2-{4-[(2,7-Dimethyl-4-oxo-3,4-dihydro-quinazol...)
Affinity DataIC50:  9nMAssay Description:Inhibition of isolated thymidylate synthase partially purified from L1210 mouse leukemia cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed