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BDBM50316799 (1'R,2'S,3'R,4'R)-1-[2,3-Dihydroxy-4-(hydroxymethyl)-cyclopentan-1-yl]-6-(3-methylbenzyl-thio)purine::CHEMBL1094555

SMILES: Cc1cccc(CSc2ncnc3n(cnc23)[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)c1

InChI Key: InChIKey=ZGCTUIYHWBHLRL-SRABZTEZSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50316799   
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
Adenosine kinase


(Toxoplasma gondii)
BDBM50316799
PNG
((1'R,2'S,3'R,4'R)-1-[2,3-Dihydroxy-4-(hydroxymethy...)
Show SMILES Cc1cccc(CSc2ncnc3n(cnc23)[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)c1
Show InChI InChI=1S/C19H22N4O3S/c1-11-3-2-4-12(5-11)8-27-19-15-18(20-9-21-19)23(10-22-15)14-6-13(7-24)16(25)17(14)26/h2-5,9-10,13-14,16-17,24-26H,6-8H2,1H3/t13-,14-,16-,17+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
2.68E+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