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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Purine Nucleoside Phosphorylase (PNP)' and Ligand = 'BDBM22108'   
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 (PNP)


(Bos taurus (bovine))
BDBM22108
PNG
(7-{[2-(hydroxymethyl)azetidin-1-yl]methyl}-3H,4H,5...)
Show SMILES OCC1CCN1Cc1c[nH]c2c1nc[nH]c2=O
Show InChI InChI=1S/C11H14N4O2/c16-5-8-1-2-15(8)4-7-3-12-10-9(7)13-6-14-11(10)17/h3,6,8,12,16H,1-2,4-5H2,(H,13,14,17)
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Article
PubMed
1.80 -49.4n/an/an/an/an/a7.722



Industrial Research Limited



Assay Description
PNP activity was monitored by absorbance change in a coupled assay. In the assay, inosine was converted to hypoxanthine, and then hypoxanthine was co...


J Med Chem 51: 948-56 (2008)


Article DOI: 10.1021/jm701265n
BindingDB Entry DOI: 10.7270/Q2QC01T3
More data for this
Ligand-Target Pair
Purine Nucleoside Phosphorylase (PNP)


(Plasmodium falciparum)
BDBM22108
PNG
(7-{[2-(hydroxymethyl)azetidin-1-yl]methyl}-3H,4H,5...)
Show SMILES OCC1CCN1Cc1c[nH]c2c1nc[nH]c2=O
Show InChI InChI=1S/C11H14N4O2/c16-5-8-1-2-15(8)4-7-3-12-10-9(7)13-6-14-11(10)17/h3,6,8,12,16H,1-2,4-5H2,(H,13,14,17)
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Article
PubMed
191 -38.0n/an/an/an/an/a7.722



Industrial Research Limited



Assay Description
PNP activity was monitored by absorbance change in a coupled assay. In the assay, inosine was converted to hypoxanthine, and then hypoxanthine was co...


J Med Chem 51: 948-56 (2008)


Article DOI: 10.1021/jm701265n
BindingDB Entry DOI: 10.7270/Q2QC01T3
More data for this
Ligand-Target Pair