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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Purine nucleoside phosphorylase' and Ligand = 'BDBM50112053'   
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
Purine nucleoside phosphorylase


(Homo sapiens (Human))
BDBM50112053
PNG
(1-(2-Methyl-thiazol-4-ylmethyl)-1H-benzoimidazole-...)
Show SMILES Cc1nc(Cn2cnc3c2C(=O)C=CC3=O)cs1 |c:13|
Show InChI InChI=1S/C12H9N3O2S/c1-7-14-8(5-18-7)4-15-6-13-11-9(16)2-3-10(17)12(11)15/h2-3,5-6H,4H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
1.00E+5n/an/an/an/an/an/an/an/a



Universit£ Lyon I

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity against Toxoplasma gondii purine nucleoside phosphorylase of virulent strain RH (value indicates comp...


Bioorg Med Chem Lett 12: 977-9 (2002)


BindingDB Entry DOI: 10.7270/Q2HM591J
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (Human))
BDBM50112053
PNG
(1-(2-Methyl-thiazol-4-ylmethyl)-1H-benzoimidazole-...)
Show SMILES Cc1nc(Cn2cnc3c2C(=O)C=CC3=O)cs1 |c:13|
Show InChI InChI=1S/C12H9N3O2S/c1-7-14-8(5-18-7)4-15-6-13-11-9(16)2-3-10(17)12(11)15/h2-3,5-6H,4H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
1.10E+5n/an/an/an/an/an/an/an/a



Universit£ Lyon I

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity against Toxoplasma gondii purine nucleoside phosphorylase from cystic strain ME 49 (value indicates c...


Bioorg Med Chem Lett 12: 977-9 (2002)


BindingDB Entry DOI: 10.7270/Q2HM591J
More data for this
Ligand-Target Pair