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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 = 'BDBM50195593'   
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))
BDBM50195593
PNG
(2-amino-1,5-dihydro-7-[[(2S)-2-(hydroxymethyl)-1-p...)
Show SMILES Nc1nc2c(CN3CCC[C@H]3CO)c[nH]c2c(=O)[nH]1
Show InChI InChI=1S/C12H17N5O2/c13-12-15-9-7(4-14-10(9)11(19)16-12)5-17-3-1-2-8(17)6-18/h4,8,14,18H,1-3,5-6H2,(H3,13,15,16,19)/t8-/m0/s1
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
2n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of human PNP activity


J Med Chem 49: 6037-45 (2006)


Article DOI: 10.1021/jm060547+
BindingDB Entry DOI: 10.7270/Q2NV9K11
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (Human))
BDBM50195593
PNG
(2-amino-1,5-dihydro-7-[[(2S)-2-(hydroxymethyl)-1-p...)
Show SMILES Nc1nc2c(CN3CCC[C@H]3CO)c[nH]c2c(=O)[nH]1
Show InChI InChI=1S/C12H17N5O2/c13-12-15-9-7(4-14-10(9)11(19)16-12)5-17-3-1-2-8(17)6-18/h4,8,14,18H,1-3,5-6H2,(H3,13,15,16,19)/t8-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 4n/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of human PNP activity


J Med Chem 49: 6037-45 (2006)


Article DOI: 10.1021/jm060547+
BindingDB Entry DOI: 10.7270/Q2NV9K11
More data for this
Ligand-Target Pair