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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine kinase' and Ligand = 'BDBM50316805'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Adenosine kinase


(Toxoplasma gondii)
BDBM50316805
PNG
((1'R,2'S,3'R,4'R)-1-[2,3-Dihydroxy-4-(hydroxymethy...)
Show SMILES COC(=O)c1ccc(CSc2ncnc3n(cnc23)[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)cc1
Show InChI InChI=1S/C20H22N4O5S/c1-29-20(28)12-4-2-11(3-5-12)8-30-19-15-18(21-9-22-19)24(10-23-15)14-6-13(7-25)16(26)17(14)27/h2-5,9-10,13-14,16-17,25-27H,6-8H2,1H3/t13-,14-,16-,17+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
4.09E+4n/an/an/an/an/an/an/an/a



University of Georgia

Curated by ChEMBL


Assay Description
Binding affinity to Toxoplasma gondii adenosine kinase after 20 mins by radioactivity method


Bioorg Med Chem 18: 3403-12 (2010)


Article DOI: 10.1016/j.bmc.2010.04.003
BindingDB Entry DOI: 10.7270/Q2WH2Q43
More data for this
Ligand-Target Pair