BDBM222044 5'-O-(4''-Bromobenzoyl)-thymidine-3'-O-4''-bromobenzoate (14)

SMILES Cc1cn([C@H]2C[C@H](OC(=O)c3ccc(Br)cc3)[C@@H](COC(=O)c3ccc(Br)cc3)O2)c(=O)[nH]c1=O

InChI Key

Data  1 KI  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 222044   

TargetThymidine phosphorylase(Escherichia coli)
University Of Karachi

LigandPNGBDBM222044(5'-O-(4''-Bromobenzoyl)-thymidine-3...)
Affinity DataKi:  7.81E+3nM ΔG°:  -7.08kcal/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 rea...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetThymidine phosphorylase(Escherichia coli)
University Of Karachi

LigandPNGBDBM222044(5'-O-(4''-Bromobenzoyl)-thymidine-3...)
Affinity DataIC50:  7.50E+3nMT: 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
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed