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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 = 'BDBM50122726'   
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


(Bos taurus (bovine))
BDBM50122726
PNG
(2-Hydroxymethyl-5-(4-hydroxy-5H-pyrrolo[3,2-d]pyri...)
Show SMILES OC[C@H]1NC([C@@H](O)[C@H]1O)c1c[nH]c2c1nc[nH]c2=O
Show InChI InChI=1S/C11H14N4O4/c16-2-5-9(17)10(18)7(15-5)4-1-12-8-6(4)13-3-14-11(8)19/h1,3,5,7,9-10,12,15-18H,2H2,(H,13,14,19)/t5-,7?,9+,10-/m1/s1
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PC sid
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Similars

Article
PubMed
0.0230n/an/an/an/an/an/an/an/a



Industrial Research Limited

Curated by ChEMBL


Assay Description
Inhibitory activity of compound against bovine purine nucleoside phosphorylase(PNP)


J Med Chem 46: 155-60 (2002)


Article DOI: 10.1021/jm0203332
BindingDB Entry DOI: 10.7270/Q2DF6QJZ
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (Human))
BDBM50122726
PNG
(2-Hydroxymethyl-5-(4-hydroxy-5H-pyrrolo[3,2-d]pyri...)
Show SMILES OC[C@H]1NC([C@@H](O)[C@H]1O)c1c[nH]c2c1nc[nH]c2=O
Show InChI InChI=1S/C11H14N4O4/c16-2-5-9(17)10(18)7(15-5)4-1-12-8-6(4)13-3-14-11(8)19/h1,3,5,7,9-10,12,15-18H,2H2,(H,13,14,19)/t5-,7?,9+,10-/m1/s1
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PC cid
PC sid
UniChem

Similars

Article
PubMed
0.0720n/an/an/an/an/an/an/an/a



Industrial Research Limited

Curated by ChEMBL


Assay Description
Inhibitory activity of compound against human purine nucleoside phosphorylase(PNP)


J Med Chem 46: 155-60 (2002)


Article DOI: 10.1021/jm0203332
BindingDB Entry DOI: 10.7270/Q2DF6QJZ
More data for this
Ligand-Target Pair