BDBM50081268 2-{4-[(2,7-Dimethyl-4-oxo-3,4-dihydro-quinazolin-6-ylmethyl)-prop-2-ynyl-amino]-2-fluoro-benzoylamino}-6-(3-nitro-benzenesulfonylamino)-6-oxo-hexanoic acid::CHEMBL339022

SMILES Cc1nc2cc(C)c(CN(CC#C)c3ccc(C(=O)NC(CCCC(=O)NS(=O)(=O)c4cccc(c4)[N+]([O-])=O)C(O)=O)c(F)c3)cc2c(=O)[nH]1

InChI Key InChIKey=XYXLQRNXFWSKBS-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 = 50081268   

TargetThymidylate synthase(Mus musculus)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50081268(2-{4-[(2,7-Dimethyl-4-oxo-3,4-dihydro-quinazolin-6...)
Affinity DataIC50:  15.4nMAssay Description:Inhibition of isolated thymidylate synthase partially purified from L1210 mouse leukemia cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed