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BDBM50310202 (2-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)methylphosphonic acid::1-[2-(phosphonomethoxy)ethyl]thymine::CHEMBL401998

SMILES: Cc1cn(CCOCP(O)(O)=O)c(=O)[nH]c1=O

InChI Key: InChIKey=RCQMOSJJIVCPJO-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50310202   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Thymidine Phosphorylase (TP)


(Homo sapiens (Human))
BDBM50310202
PNG
((2-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-...)
Show SMILES Cc1cn(CCOCP(O)(O)=O)c(=O)[nH]c1=O
Show InChI InChI=1S/C8H13N2O6P/c1-6-4-10(8(12)9-7(6)11)2-3-16-5-17(13,14)15/h4H,2-3,5H2,1H3,(H,9,11,12)(H2,13,14,15)
PDB
MMDB

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Article
PubMed
236n/an/an/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of human recombinant thymidine phosphorylase


Bioorg Med Chem Lett 20: 862-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.081
BindingDB Entry DOI: 10.7270/Q2930V4K
More data for this
Ligand-Target Pair