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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine kinase' and Ligand = 'BDBM50252064'   
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)
BDBM50252064
PNG
(4-[(4-tert-Butylbenzyl)thio]-7-(beta-D-ribofuranos...)
Show SMILES CC(C)(C)c1ccc(CSc2ncnc3n(ccc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1
Show InChI InChI=1S/C22H27N3O4S/c1-22(2,3)14-6-4-13(5-7-14)11-30-20-15-8-9-25(19(15)23-12-24-20)21-18(28)17(27)16(10-26)29-21/h4-9,12,16-18,21,26-28H,10-11H2,1-3H3/t16-,17-,18-,21-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.40E+4n/an/an/an/an/an/an/an/a



University of Georgia

Curated by ChEMBL


Assay Description
Binding affinity to purified Toxoplasma gondii adenosine kinase


J Med Chem 51: 3934-45 (2008)


Article DOI: 10.1021/jm800201s
BindingDB Entry DOI: 10.7270/Q2NK3DVP
More data for this
Ligand-Target Pair