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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine kinase' and Ligand = 'BDBM50251862'   
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)
BDBM50251862
PNG
(4-[(3-Nitrobenzyl)thio]-7-(beta-D-ribofuranosyl)-7...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc2c(SCc3cccc(c3)[N+]([O-])=O)ncnc12
Show InChI InChI=1S/C18H18N4O6S/c23-7-13-14(24)15(25)18(28-13)21-5-4-12-16(21)19-9-20-17(12)29-8-10-2-1-3-11(6-10)22(26)27/h1-6,9,13-15,18,23-25H,7-8H2/t13-,14-,15-,18-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
4.50E+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