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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 = 'BDBM22107'   
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))
BDBM22107
PNG
(7-{[(2R,4R)-2,4-bis(hydroxymethyl)azetidin-1-yl]me...)
Show SMILES OC[C@H]1C[C@H](CO)N1Cc1c[nH]c2c1nc[nH]c2=O |r|
Show InChI InChI=1S/C12H16N4O3/c17-4-8-1-9(5-18)16(8)3-7-2-13-11-10(7)14-6-15-12(11)19/h2,6,8-9,13,17-18H,1,3-5H2,(H,14,15,19)/t8-,9-/m1/s1
PDB
MMDB

Reactome pathway

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
360 -36.4n/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)
BDBM22107
PNG
(7-{[(2R,4R)-2,4-bis(hydroxymethyl)azetidin-1-yl]me...)
Show SMILES OC[C@H]1C[C@H](CO)N1Cc1c[nH]c2c1nc[nH]c2=O |r|
Show InChI InChI=1S/C12H16N4O3/c17-4-8-1-9(5-18)16(8)3-7-2-13-11-10(7)14-6-15-12(11)19/h2,6,8-9,13,17-18H,1,3-5H2,(H,14,15,19)/t8-,9-/m1/s1
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
580 -35.2n/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