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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50366955   
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)
BDBM50366955
PNG
(BDBM50413731 | CHEMBL610357 | CHEMBL61387)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(SCc3ccc(Cl)cc3)ncnc12 |r|
Show InChI InChI=1S/C17H17ClN4O4S/c18-10-3-1-9(2-4-10)6-27-16-12-15(19-7-20-16)22(8-21-12)17-14(25)13(24)11(5-23)26-17/h1-4,7-8,11,13-14,17,23-25H,5-6H2/t11-,13-,14-,17?/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
n/an/a 8.11E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Toxoplasma gondii adenosine kinase


Citation and Details

Article DOI: 10.1007/s00044-011-9554-z
BindingDB Entry DOI: 10.7270/Q29G5QQ7
More data for this
Ligand-Target Pair
Adenosine kinase


(Toxoplasma gondii)
BDBM50366955
PNG
(BDBM50413731 | CHEMBL610357 | CHEMBL61387)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(SCc3ccc(Cl)cc3)ncnc12 |r|
Show InChI InChI=1S/C17H17ClN4O4S/c18-10-3-1-9(2-4-10)6-27-16-12-15(19-7-20-16)22(8-21-12)17-14(25)13(24)11(5-23)26-17/h1-4,7-8,11,13-14,17,23-25H,5-6H2/t11-,13-,14-,17?/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
n/an/a 8.11E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Toxoplasma gondii adenosine kinase


Citation and Details

Article DOI: 10.1007/s00044-011-9554-z
BindingDB Entry DOI: 10.7270/Q29G5QQ7
More data for this
Ligand-Target Pair