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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Purine nucleoside phosphorylase' and Ligand = 'BDBM50280447'   
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))
BDBM50280447
PNG
((E)-2-{2-[(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl...)
Show SMILES Nc1nc2n(Cc3ccccc3C=CP([O-])([O-])=O)cnc2c(=O)[nH]1 |w:13.14|
Show InChI InChI=1S/C14H14N5O4P/c15-14-17-12-11(13(20)18-14)16-8-19(12)7-10-4-2-1-3-9(10)5-6-24(21,22)23/h1-6,8H,7H2,(H2,21,22,23)(H3,15,17,18,20)/p-2
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Article
0.800n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against calf spleen purine nucleoside phosphorylase in the presence of 1 mM (pi) orthophosphonate


Bioorg Med Chem Lett 2: 407-410 (1992)


Article DOI: 10.1016/S0960-894X(00)80157-2
BindingDB Entry DOI: 10.7270/Q2WD412N
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (Human))
BDBM50280447
PNG
((E)-2-{2-[(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl...)
Show SMILES Nc1nc2n(Cc3ccccc3C=CP([O-])([O-])=O)cnc2c(=O)[nH]1 |w:13.14|
Show InChI InChI=1S/C14H14N5O4P/c15-14-17-12-11(13(20)18-14)16-8-19(12)7-10-4-2-1-3-9(10)5-6-24(21,22)23/h1-6,8H,7H2,(H2,21,22,23)(H3,15,17,18,20)/p-2
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Article
3.20n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human erythrocytic purine nucleoside phosphorylase in the presence of 1 mM (pi) orthophosphonate


Bioorg Med Chem Lett 2: 407-410 (1992)


Article DOI: 10.1016/S0960-894X(00)80157-2
BindingDB Entry DOI: 10.7270/Q2WD412N
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Bos taurus (bovine))
BDBM50280447
PNG
((E)-2-{2-[(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl...)
Show SMILES Nc1nc2n(Cc3ccccc3C=CP([O-])([O-])=O)cnc2c(=O)[nH]1 |w:13.14|
Show InChI InChI=1S/C14H14N5O4P/c15-14-17-12-11(13(20)18-14)16-8-19(12)7-10-4-2-1-3-9(10)5-6-24(21,22)23/h1-6,8H,7H2,(H2,21,22,23)(H3,15,17,18,20)/p-2
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Article
n/an/a 85n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration against calf spleen purine nucleoside phosphorylase in the presence of 50 mM (pi) orthophosphonate


Bioorg Med Chem Lett 2: 407-410 (1992)


Article DOI: 10.1016/S0960-894X(00)80157-2
BindingDB Entry DOI: 10.7270/Q2WD412N
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (Human))
BDBM50280447
PNG
((E)-2-{2-[(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl...)
Show SMILES Nc1nc2n(Cc3ccccc3C=CP([O-])([O-])=O)cnc2c(=O)[nH]1 |w:13.14|
Show InChI InChI=1S/C14H14N5O4P/c15-14-17-12-11(13(20)18-14)16-8-19(12)7-10-4-2-1-3-9(10)5-6-24(21,22)23/h1-6,8H,7H2,(H2,21,22,23)(H3,15,17,18,20)/p-2
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Article
n/an/a 155n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration against human erythrocytic purine nucleoside phosphorylase in the presence of 50 mM (pi) orthophosphonate


Bioorg Med Chem Lett 2: 407-410 (1992)


Article DOI: 10.1016/S0960-894X(00)80157-2
BindingDB Entry DOI: 10.7270/Q2WD412N
More data for this
Ligand-Target Pair