BDBM50017764 CHEMBL3392217::Phosphoric acid mono-{3-hydroxy-5-[5-(4-methyl-3,4-dihydro-2H-quinoxalin-1-ylmethyl)-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl]-tetrahydro-furan-2-ylmethyl} ester::multisubstrate analogue inhibitor 14

SMILES CN1CCN(Cc2cn([C@H]3C[C@H](O)[C@@H](COP(O)(O)=O)O3)c(=O)[nH]c2=O)c2ccccc12

InChI Key InChIKey=JNENMSJSFPZKHO-UHFFFAOYSA-N

Data  1 KI

  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 = 50017764   

TargetThymidylate synthase(Human)
University of Utah

Curated by ChEMBL
LigandPNGBDBM50017764(Phosphoric acid mono-{3-hydroxy-5-[5-(4-methyl-3,4...)
Affinity DataKi:  60nMAssay Description:Inhibition of compound against thymidylate synthetaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/17/2012
Entry Details Article
PubMed