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BDBM50316813 (1'R,2'S,3'R,4'R)-1-[2,3-Dihydroxy-4-(hydroxymethyl)-cyclopentan-1-yl]-6-(2,4,6-trimethyl-benzylthio)purine::CHEMBL1097867

SMILES: Cc1cc(C)c(CSc2ncnc3n(cnc23)[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)c(C)c1

InChI Key: InChIKey=KPORBJOXROGVFA-OPNNQBFTSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50316813   
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)
BDBM50316813
PNG
((1'R,2'S,3'R,4'R)-1-[2,3-Dihydroxy-4-(hydroxymethy...)
Show SMILES Cc1cc(C)c(CSc2ncnc3n(cnc23)[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)c(C)c1
Show InChI InChI=1S/C21H26N4O3S/c1-11-4-12(2)15(13(3)5-11)8-29-21-17-20(22-9-23-21)25(10-24-17)16-6-14(7-26)18(27)19(16)28/h4-5,9-10,14,16,18-19,26-28H,6-8H2,1-3H3/t14-,16-,18-,19+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
6.31E+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