BindingDB logo
myBDB logout

BDBM50316800 (1'R,2'S,3'R,4'R)-1-[2,3-Dihydroxy-4-(hydroxymethyl)cyclopentan-1-yl]-6-(4-fluorobenzyl-thio)purine::CHEMBL1094886

SMILES: OC[C@H]1C[C@H]([C@H](O)[C@@H]1O)n1cnc2c(SCc3ccc(F)cc3)ncnc12

InChI Key: InChIKey=ROUALOQTQQFOMQ-CUBALJKWSA-N

Data: 1 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50316800   
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)
BDBM50316800
PNG
((1'R,2'S,3'R,4'R)-1-[2,3-Dihydroxy-4-(hydroxymethy...)
Show SMILES OC[C@H]1C[C@H]([C@H](O)[C@@H]1O)n1cnc2c(SCc3ccc(F)cc3)ncnc12
Show InChI InChI=1S/C18H19FN4O3S/c19-12-3-1-10(2-4-12)7-27-18-14-17(20-8-21-18)23(9-22-14)13-5-11(6-24)15(25)16(13)26/h1-4,8-9,11,13,15-16,24-26H,5-7H2/t11-,13-,15-,16+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
3.19E+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