BDBM222040 5'-O-(4''-Methylbenzoyl)-thymidine (4)

SMILES Cc1ccc(cc1)C(=O)OC[C@H]1O[C@H](C[C@@H]1O)n1cc(C)c(=O)[nH]c1=O

InChI Key InChIKey=LTIXRVXKVYJQIJ-UHFFFAOYSA-N

Data  1 KI  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 2 hits for monomerid = 222040   

TargetThymidine phosphorylase(Escherichia coli (strain K12))
University of Karachi

LigandPNGBDBM222040(5'-O-(4''-Methylbenzoyl)-thymidine (4))
Affinity DataIC50: 1.85E+4nMT: 2°CAssay Description:TP inhibition assay was performed spectrophotometrically in 96-well plate. The method of Bera et al. was followed with slight modifications [Bera et ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/11/2017
Entry Details Article
PubMed
TargetThymidine phosphorylase(Escherichia coli (strain K12))
University of Karachi

LigandPNGBDBM222040(5'-O-(4''-Methylbenzoyl)-thymidine (4))
Affinity DataKi:  1.25E+4nM ΔG°:  -6.80kcal/moleT: 2°CAssay Description:In kinetic assay, the TP enzyme (0.058 U/well) was incu- bated with different concentrations of inhibitor (0.5 0.001 mM) for 10 min at 30 C. The reac...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/11/2017
Entry Details Article
PubMed