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BDBM50252625 4-[(2-Chlorobenzyl)thio]-7-(beta-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidine::CHEMBL493049

SMILES: OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc2c(SCc3ccccc3Cl)ncnc12

InChI Key: InChIKey=MTMLSWQTJMMYTQ-ATNYBXOESA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50252625   
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)
BDBM50252625
PNG
(4-[(2-Chlorobenzyl)thio]-7-(beta-D-ribofuranosyl)-...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc2c(SCc3ccccc3Cl)ncnc12
Show InChI InChI=1S/C18H18ClN3O4S/c19-12-4-2-1-3-10(12)8-27-17-11-5-6-22(16(11)20-9-21-17)18-15(25)14(24)13(7-23)26-18/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
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.60E+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