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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 = 'BDBM50225889'   
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))
BDBM50225889
PNG
(CHEMBL3144008)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)C1=NNC2C1=NC=NC2=O |r,c:17,t:10,15|
Show InChI InChI=1S/C10H12N4O5/c15-1-3-7(16)8(17)9(19-3)5-4-6(14-13-5)10(18)12-2-11-4/h2-3,6-9,14-17H,1H2/t3-,6?,7-,8-,9+/m1/s1
PDB
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PC cid
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PubMed
1.10E+5n/an/an/an/an/an/an/an/a



Nucleic Acid Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against purine nucleoside phosphorylase (PNPase )


J Med Chem 31: 330-5 (1988)


BindingDB Entry DOI: 10.7270/Q25H7GV0
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (Human))
BDBM50225889
PNG
(CHEMBL3144008)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)C1=NNC2C1=NC=NC2=O |r,c:17,t:10,15|
Show InChI InChI=1S/C10H12N4O5/c15-1-3-7(16)8(17)9(19-3)5-4-6(14-13-5)10(18)12-2-11-4/h2-3,6-9,14-17H,1H2/t3-,6?,7-,8-,9+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 1.02E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of purine nucleoside phosphorylase using human erythro lysate


J Med Chem 29: 2034-7 (1986)


BindingDB Entry DOI: 10.7270/Q29P326Z
More data for this
Ligand-Target Pair