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Compile Data Set for Download or QSAR

Found 34 hits with Last Name = 'magnowska' and Initial = 'l'   
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))
BDBM50214707
PNG
(9-(5',5'-Difluoro-5'-phosphonopentyl)-9-deazaguani...)
Show SMILES Nc1nc2c(CCCCC(F)(F)P(O)(O)=O)c[nH]c2c(=O)[nH]1
Show InChI InChI=1S/C11H15F2N4O4P/c12-11(13,22(19,20)21)4-2-1-3-6-5-15-8-7(6)16-10(14)17-9(8)18/h5,15H,1-4H2,(H2,19,20,21)(H3,14,16,17,18)
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1n/an/an/an/an/an/an/an/a



Tokyo University of Pharmacy and Life Sciences

Curated by ChEMBL


Assay Description
Inhibition of human PNP in presence of 0.025 mM phosphate


Bioorg Med Chem Lett 17: 4173-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.054
BindingDB Entry DOI: 10.7270/Q29P31CS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Purine nucleoside phosphorylase


(Homo sapiens (Human))
BDBM50214707
PNG
(9-(5',5'-Difluoro-5'-phosphonopentyl)-9-deazaguani...)
Show SMILES Nc1nc2c(CCCCC(F)(F)P(O)(O)=O)c[nH]c2c(=O)[nH]1
Show InChI InChI=1S/C11H15F2N4O4P/c12-11(13,22(19,20)21)4-2-1-3-6-5-15-8-7(6)16-10(14)17-9(8)18/h5,15H,1-4H2,(H2,19,20,21)(H3,14,16,17,18)
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1n/an/an/an/an/an/an/an/a



Tokyo University of Pharmacy and Life Sciences

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte PNP assessed as inhibition of 7-methylguanosine phosphorolysis after 50 mins by spectrophotometry in presence of 0.02...


Bioorg Med Chem 18: 2275-84 (2010)


Article DOI: 10.1016/j.bmc.2010.01.062
BindingDB Entry DOI: 10.7270/Q2N58MG0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Purine nucleoside phosphorylase


(Bos taurus (bovine))
BDBM50214707
PNG
(9-(5',5'-Difluoro-5'-phosphonopentyl)-9-deazaguani...)
Show SMILES Nc1nc2c(CCCCC(F)(F)P(O)(O)=O)c[nH]c2c(=O)[nH]1
Show InChI InChI=1S/C11H15F2N4O4P/c12-11(13,22(19,20)21)4-2-1-3-6-5-15-8-7(6)16-10(14)17-9(8)18/h5,15H,1-4H2,(H2,19,20,21)(H3,14,16,17,18)
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1n/an/an/an/an/an/an/an/a



Tokyo University of Pharmacy and Life Sciences

Curated by ChEMBL


Assay Description
Inhibition of calf PNP in presence of 0.025 mM phosphate


Bioorg Med Chem Lett 17: 4173-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.054
BindingDB Entry DOI: 10.7270/Q29P31CS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Purine nucleoside phosphorylase


(Bos taurus (bovine))
BDBM50214707
PNG
(9-(5',5'-Difluoro-5'-phosphonopentyl)-9-deazaguani...)
Show SMILES Nc1nc2c(CCCCC(F)(F)P(O)(O)=O)c[nH]c2c(=O)[nH]1
Show InChI InChI=1S/C11H15F2N4O4P/c12-11(13,22(19,20)21)4-2-1-3-6-5-15-8-7(6)16-10(14)17-9(8)18/h5,15H,1-4H2,(H2,19,20,21)(H3,14,16,17,18)
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1n/an/an/an/an/an/an/an/a



Tokyo University of Pharmacy and Life Sciences

Curated by ChEMBL


Assay Description
Inhibition of calf spleen PNP assessed as inhibition of 7-methylguanosine phosphorolysis after 50 mins by spectrophotometry in presence of 0.025 mM i...


Bioorg Med Chem 18: 2275-84 (2010)


Article DOI: 10.1016/j.bmc.2010.01.062
BindingDB Entry DOI: 10.7270/Q2N58MG0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Purine nucleoside phosphorylase


(Bos taurus (bovine))
BDBM50214705
PNG
(5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-1,1-di...)
Show SMILES Nc1nc2n(CCCCC(F)(F)P(O)(O)=O)cnc2c(=O)[nH]1
Show InChI InChI=1S/C10H14F2N5O4P/c11-10(12,22(19,20)21)3-1-2-4-17-5-14-6-7(17)15-9(13)16-8(6)18/h5H,1-4H2,(H2,19,20,21)(H3,13,15,16,18)
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2.70n/an/an/an/an/an/an/an/a



Tokyo University of Pharmacy and Life Sciences

Curated by ChEMBL


Assay Description
Inhibition of calf spleen PNP assessed as inhibition of 7-methylguanosine phosphorolysis after 50 mins by spectrophotometry in presence of 0.025 mM i...


Bioorg Med Chem 18: 2275-84 (2010)


Article DOI: 10.1016/j.bmc.2010.01.062
BindingDB Entry DOI: 10.7270/Q2N58MG0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Purine nucleoside phosphorylase


(Bos taurus (bovine))
BDBM50214705
PNG
(5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-1,1-di...)
Show SMILES Nc1nc2n(CCCCC(F)(F)P(O)(O)=O)cnc2c(=O)[nH]1
Show InChI InChI=1S/C10H14F2N5O4P/c11-10(12,22(19,20)21)3-1-2-4-17-5-14-6-7(17)15-9(13)16-8(6)18/h5H,1-4H2,(H2,19,20,21)(H3,13,15,16,18)
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2.70n/an/an/an/an/an/an/an/a



Tokyo University of Pharmacy and Life Sciences

Curated by ChEMBL


Assay Description
Inhibition of calf PNP in presence of 0.025 mM phosphate


Bioorg Med Chem Lett 17: 4173-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.054
BindingDB Entry DOI: 10.7270/Q29P31CS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Purine nucleoside phosphorylase


(Bos taurus (bovine))
BDBM50214707
PNG
(9-(5',5'-Difluoro-5'-phosphonopentyl)-9-deazaguani...)
Show SMILES Nc1nc2c(CCCCC(F)(F)P(O)(O)=O)c[nH]c2c(=O)[nH]1
Show InChI InChI=1S/C11H15F2N4O4P/c12-11(13,22(19,20)21)4-2-1-3-6-5-15-8-7(6)16-10(14)17-9(8)18/h5,15H,1-4H2,(H2,19,20,21)(H3,14,16,17,18)
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4.40n/an/an/an/an/an/an/an/a



Tokyo University of Pharmacy and Life Sciences

Curated by ChEMBL


Assay Description
Inhibition of calf spleen PNP assessed as inhibition of 7-methylguanosine phosphorolysis after 50 mins by spectrophotometry in presence of 1 mM inorg...


Bioorg Med Chem 18: 2275-84 (2010)


Article DOI: 10.1016/j.bmc.2010.01.062
BindingDB Entry DOI: 10.7270/Q2N58MG0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Purine nucleoside phosphorylase


(Homo sapiens (Human))
BDBM50308521
PNG
(9-[6',6'-Difluoro-6'-(diethylphosphono)hexyl]-9-de...)
Show SMILES CCOP(=O)(OCC)C(F)(F)CCCCCc1c[nH]c2c1nc(N)[nH]c2=O
Show InChI InChI=1S/C16H25F2N4O4P/c1-3-25-27(24,26-4-2)16(17,18)9-7-5-6-8-11-10-20-13-12(11)21-15(19)22-14(13)23/h10,20H,3-9H2,1-2H3,(H3,19,21,22,23)
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5.30n/an/an/an/an/an/an/an/a



Tokyo University of Pharmacy and Life Sciences

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte PNP assessed as inhibition of 7-methylguanosine phosphorolysis after 50 mins by spectrophotometry in presence of 1 mM...


Bioorg Med Chem 18: 2275-84 (2010)


Article DOI: 10.1016/j.bmc.2010.01.062
BindingDB Entry DOI: 10.7270/Q2N58MG0
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (Human))
BDBM50415479
PNG
(CHEMBL601619)
Show SMILES CCOP(=O)(OCC)C(F)(F)CCCCCCCc1c[nH]c2c1nc(N)[nH]c2=O
Show InChI InChI=1S/C18H29F2N4O4P/c1-3-27-29(26,28-4-2)18(19,20)11-9-7-5-6-8-10-13-12-22-15-14(13)23-17(21)24-16(15)25/h12,22H,3-11H2,1-2H3,(H3,21,23,24,25)
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5.60n/an/an/an/an/an/an/an/a



Tokyo University of Pharmacy and Life Sciences

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte PNP assessed as inhibition of 7-methylguanosine phosphorolysis after 50 mins by spectrophotometry in presence of 1 mM...


Bioorg Med Chem 18: 2275-84 (2010)


Article DOI: 10.1016/j.bmc.2010.01.062
BindingDB Entry DOI: 10.7270/Q2N58MG0
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Bos taurus (bovine))
BDBM50214708
PNG
(6-(2-amino-4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyri...)
Show SMILES Nc1nc2c(CCCCCC(F)(F)P(O)(O)=O)c[nH]c2c(=O)[nH]1
Show InChI InChI=1S/C12H17F2N4O4P/c13-12(14,23(20,21)22)5-3-1-2-4-7-6-16-9-8(7)17-11(15)18-10(9)19/h6,16H,1-5H2,(H2,20,21,22)(H3,15,17,18,19)
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5.70n/an/an/an/an/an/an/an/a



Tokyo University of Pharmacy and Life Sciences

Curated by ChEMBL


Assay Description
Inhibition of calf PNP in presence of 1 mM phosphate


Bioorg Med Chem Lett 17: 4173-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.054
BindingDB Entry DOI: 10.7270/Q29P31CS
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Bos taurus (bovine))
BDBM50308521
PNG
(9-[6',6'-Difluoro-6'-(diethylphosphono)hexyl]-9-de...)
Show SMILES CCOP(=O)(OCC)C(F)(F)CCCCCc1c[nH]c2c1nc(N)[nH]c2=O
Show InChI InChI=1S/C16H25F2N4O4P/c1-3-25-27(24,26-4-2)16(17,18)9-7-5-6-8-11-10-20-13-12(11)21-15(19)22-14(13)23/h10,20H,3-9H2,1-2H3,(H3,19,21,22,23)
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5.70n/an/an/an/an/an/an/an/a



Tokyo University of Pharmacy and Life Sciences

Curated by ChEMBL


Assay Description
Inhibition of calf spleen PNP assessed as inhibition of 7-methylguanosine phosphorolysis after 50 mins by spectrophotometry in presence of 1 mM inorg...


Bioorg Med Chem 18: 2275-84 (2010)


Article DOI: 10.1016/j.bmc.2010.01.062
BindingDB Entry DOI: 10.7270/Q2N58MG0
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Bos taurus (bovine))
BDBM50415479
PNG
(CHEMBL601619)
Show SMILES CCOP(=O)(OCC)C(F)(F)CCCCCCCc1c[nH]c2c1nc(N)[nH]c2=O
Show InChI InChI=1S/C18H29F2N4O4P/c1-3-27-29(26,28-4-2)18(19,20)11-9-7-5-6-8-10-13-12-22-15-14(13)23-17(21)24-16(15)25/h12,22H,3-11H2,1-2H3,(H3,21,23,24,25)
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6.10n/an/an/an/an/an/an/an/a



Tokyo University of Pharmacy and Life Sciences

Curated by ChEMBL


Assay Description
Inhibition of calf spleen PNP assessed as inhibition of 7-methylguanosine phosphorolysis after 50 mins by spectrophotometry in presence of 1 mM inorg...


Bioorg Med Chem 18: 2275-84 (2010)


Article DOI: 10.1016/j.bmc.2010.01.062
BindingDB Entry DOI: 10.7270/Q2N58MG0
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Bos taurus (bovine))
BDBM50415479
PNG
(CHEMBL601619)
Show SMILES CCOP(=O)(OCC)C(F)(F)CCCCCCCc1c[nH]c2c1nc(N)[nH]c2=O
Show InChI InChI=1S/C18H29F2N4O4P/c1-3-27-29(26,28-4-2)18(19,20)11-9-7-5-6-8-10-13-12-22-15-14(13)23-17(21)24-16(15)25/h12,22H,3-11H2,1-2H3,(H3,21,23,24,25)
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6.10n/an/an/an/an/an/an/an/a



Tokyo University of Pharmacy and Life Sciences

Curated by ChEMBL


Assay Description
Inhibition of calf spleen PNP assessed as inhibition of 7-methylguanosine phosphorolysis after 50 mins by spectrophotometry in presence of 1 mM inorg...


Bioorg Med Chem 18: 2275-84 (2010)


Article DOI: 10.1016/j.bmc.2010.01.062
BindingDB Entry DOI: 10.7270/Q2N58MG0
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Bos taurus (bovine))
BDBM50214705
PNG
(5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-1,1-di...)
Show SMILES Nc1nc2n(CCCCC(F)(F)P(O)(O)=O)cnc2c(=O)[nH]1
Show InChI InChI=1S/C10H14F2N5O4P/c11-10(12,22(19,20)21)3-1-2-4-17-5-14-6-7(17)15-9(13)16-8(6)18/h5H,1-4H2,(H2,19,20,21)(H3,13,15,16,18)
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6.90n/an/an/an/an/an/an/an/a



Tokyo University of Pharmacy and Life Sciences

Curated by ChEMBL


Assay Description
Inhibition of calf spleen PNP assessed as inhibition of 7-methylguanosine phosphorolysis after 50 mins by spectrofluorimetric method in presence of 1...


Bioorg Med Chem 18: 2275-84 (2010)


Article DOI: 10.1016/j.bmc.2010.01.062
BindingDB Entry DOI: 10.7270/Q2N58MG0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Purine nucleoside phosphorylase


(Homo sapiens (Human))
BDBM50214707
PNG
(9-(5',5'-Difluoro-5'-phosphonopentyl)-9-deazaguani...)
Show SMILES Nc1nc2c(CCCCC(F)(F)P(O)(O)=O)c[nH]c2c(=O)[nH]1
Show InChI InChI=1S/C11H15F2N4O4P/c12-11(13,22(19,20)21)4-2-1-3-6-5-15-8-7(6)16-10(14)17-9(8)18/h5,15H,1-4H2,(H2,19,20,21)(H3,14,16,17,18)
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8.10n/an/an/an/an/an/an/an/a



Tokyo University of Pharmacy and Life Sciences

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte PNP assessed as inhibition of 7-methylguanosine phosphorolysis after 50 mins by spectrophotometry in presence of 1 mM...


Bioorg Med Chem 18: 2275-84 (2010)


Article DOI: 10.1016/j.bmc.2010.01.062
BindingDB Entry DOI: 10.7270/Q2N58MG0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Purine nucleoside phosphorylase


(Homo sapiens (Human))
BDBM50214705
PNG
(5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-1,1-di...)
Show SMILES Nc1nc2n(CCCCC(F)(F)P(O)(O)=O)cnc2c(=O)[nH]1
Show InChI InChI=1S/C10H14F2N5O4P/c11-10(12,22(19,20)21)3-1-2-4-17-5-14-6-7(17)15-9(13)16-8(6)18/h5H,1-4H2,(H2,19,20,21)(H3,13,15,16,18)
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10.8n/an/an/an/an/an/an/an/a



Tokyo University of Pharmacy and Life Sciences

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte PNP assessed as inhibition of 7-methylguanosine phosphorolysis after 50 mins by spectrophotometry in presence of 1 mM...


Bioorg Med Chem 18: 2275-84 (2010)


Article DOI: 10.1016/j.bmc.2010.01.062
BindingDB Entry DOI: 10.7270/Q2N58MG0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Purine nucleoside phosphorylase


(Homo sapiens (Human))
BDBM50308522
PNG
(9-[7',7'-Difluoro-7'-(diethylphosphono)heptyl]-9-d...)
Show SMILES CCOP(=O)(OCC)C(F)(F)CCCCCCc1c[nH]c2c1nc(N)[nH]c2=O
Show InChI InChI=1S/C17H27F2N4O4P/c1-3-26-28(25,27-4-2)17(18,19)10-8-6-5-7-9-12-11-21-14-13(12)22-16(20)23-15(14)24/h11,21H,3-10H2,1-2H3,(H3,20,22,23,24)
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13n/an/an/an/an/an/an/an/a



Tokyo University of Pharmacy and Life Sciences

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte PNP assessed as inhibition of 7-methylguanosine phosphorolysis after 50 mins by spectrophotometry in presence of 1 mM...


Bioorg Med Chem 18: 2275-84 (2010)


Article DOI: 10.1016/j.bmc.2010.01.062
BindingDB Entry DOI: 10.7270/Q2N58MG0
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Bos taurus (bovine))
BDBM50308522
PNG
(9-[7',7'-Difluoro-7'-(diethylphosphono)heptyl]-9-d...)
Show SMILES CCOP(=O)(OCC)C(F)(F)CCCCCCc1c[nH]c2c1nc(N)[nH]c2=O
Show InChI InChI=1S/C17H27F2N4O4P/c1-3-26-28(25,27-4-2)17(18,19)10-8-6-5-7-9-12-11-21-14-13(12)22-16(20)23-15(14)24/h11,21H,3-10H2,1-2H3,(H3,20,22,23,24)
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21n/an/an/an/an/an/an/an/a



Tokyo University of Pharmacy and Life Sciences

Curated by ChEMBL


Assay Description
Inhibition of calf spleen PNP assessed as inhibition of 7-methylguanosine phosphorolysis after 50 mins by spectrophotometry in presence of 1 mM inorg...


Bioorg Med Chem 18: 2275-84 (2010)


Article DOI: 10.1016/j.bmc.2010.01.062
BindingDB Entry DOI: 10.7270/Q2N58MG0
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Bos taurus (bovine))
BDBM50195587
PNG
(1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN-9-YL)-...)
Show SMILES OC[C@H]1N[C@H]([C@H](O)[C@@H]1O)c1c[nH]c2c1nc[nH]c2=O |r|
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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41n/an/an/an/an/an/an/an/a



Tokyo University of Pharmacy and Life Sciences

Curated by ChEMBL


Assay Description
Inhibition of calf spleen PNP assessed as inhibition of 7-methylguanosine phosphorolysis after 50 mins by spectrophotometry in presence of 50 mM inor...


Bioorg Med Chem 18: 2275-84 (2010)


Article DOI: 10.1016/j.bmc.2010.01.062
BindingDB Entry DOI: 10.7270/Q2N58MG0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Purine nucleoside phosphorylase


(Homo sapiens (Human))
BDBM50214708
PNG
(6-(2-amino-4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyri...)
Show SMILES Nc1nc2c(CCCCCC(F)(F)P(O)(O)=O)c[nH]c2c(=O)[nH]1
Show InChI InChI=1S/C12H17F2N4O4P/c13-12(14,23(20,21)22)5-3-1-2-4-7-6-16-9-8(7)17-11(15)18-10(9)19/h6,16H,1-5H2,(H2,20,21,22)(H3,15,17,18,19)
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n/an/a 9.5n/an/an/an/an/an/a



Tokyo University of Pharmacy and Life Sciences

Curated by ChEMBL


Assay Description
Inhibition of human PNP in presence of 1 mM phosphate


Bioorg Med Chem Lett 17: 4173-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.054
BindingDB Entry DOI: 10.7270/Q29P31CS
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (Human))
BDBM50308521
PNG
(9-[6',6'-Difluoro-6'-(diethylphosphono)hexyl]-9-de...)
Show SMILES CCOP(=O)(OCC)C(F)(F)CCCCCc1c[nH]c2c1nc(N)[nH]c2=O
Show InChI InChI=1S/C16H25F2N4O4P/c1-3-25-27(24,26-4-2)16(17,18)9-7-5-6-8-11-10-20-13-12(11)21-15(19)22-14(13)23/h10,20H,3-9H2,1-2H3,(H3,19,21,22,23)
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n/an/a 9.5n/an/an/an/an/an/a



Tokyo University of Pharmacy and Life Sciences

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte PNP assessed as inhibition of 25 uM 7-methylguanosine phosphorolysis by spectrophotometry in presence of 1 mM inorgan...


Bioorg Med Chem 18: 2275-84 (2010)


Article DOI: 10.1016/j.bmc.2010.01.062
BindingDB Entry DOI: 10.7270/Q2N58MG0
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Bos taurus (bovine))
BDBM50308521
PNG
(9-[6',6'-Difluoro-6'-(diethylphosphono)hexyl]-9-de...)
Show SMILES CCOP(=O)(OCC)C(F)(F)CCCCCc1c[nH]c2c1nc(N)[nH]c2=O
Show InChI InChI=1S/C16H25F2N4O4P/c1-3-25-27(24,26-4-2)16(17,18)9-7-5-6-8-11-10-20-13-12(11)21-15(19)22-14(13)23/h10,20H,3-9H2,1-2H3,(H3,19,21,22,23)
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n/an/a 10.2n/an/an/an/an/an/a



Tokyo University of Pharmacy and Life Sciences

Curated by ChEMBL


Assay Description
Inhibition of calf spleen PNP assessed as inhibition of 25 uM 7-methylguanosine phosphorolysis by spectrophotometry in presence of 1 mM inorganic pho...


Bioorg Med Chem 18: 2275-84 (2010)


Article DOI: 10.1016/j.bmc.2010.01.062
BindingDB Entry DOI: 10.7270/Q2N58MG0
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Bos taurus (bovine))
BDBM50214707
PNG
(9-(5',5'-Difluoro-5'-phosphonopentyl)-9-deazaguani...)
Show SMILES Nc1nc2c(CCCCC(F)(F)P(O)(O)=O)c[nH]c2c(=O)[nH]1
Show InChI InChI=1S/C11H15F2N4O4P/c12-11(13,22(19,20)21)4-2-1-3-6-5-15-8-7(6)16-10(14)17-9(8)18/h5,15H,1-4H2,(H2,19,20,21)(H3,14,16,17,18)
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n/an/a 10.2n/an/an/an/an/an/a



Tokyo University of Pharmacy and Life Sciences

Curated by ChEMBL


Assay Description
Inhibition of calf PNP in presence of 1 mM phosphate


Bioorg Med Chem Lett 17: 4173-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.054
BindingDB Entry DOI: 10.7270/Q29P31CS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Purine nucleoside phosphorylase


(Bos taurus (bovine))
BDBM50214707
PNG
(9-(5',5'-Difluoro-5'-phosphonopentyl)-9-deazaguani...)
Show SMILES Nc1nc2c(CCCCC(F)(F)P(O)(O)=O)c[nH]c2c(=O)[nH]1
Show InChI InChI=1S/C11H15F2N4O4P/c12-11(13,22(19,20)21)4-2-1-3-6-5-15-8-7(6)16-10(14)17-9(8)18/h5,15H,1-4H2,(H2,19,20,21)(H3,14,16,17,18)
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n/an/a 10.2n/an/an/an/an/an/a



Tokyo University of Pharmacy and Life Sciences

Curated by ChEMBL


Assay Description
Inhibition of calf spleen PNP assessed as inhibition of 25 uM 7-methylguanosine phosphorolysis by spectrophotometry in presence of 1 mM inorganic pho...


Bioorg Med Chem 18: 2275-84 (2010)


Article DOI: 10.1016/j.bmc.2010.01.062
BindingDB Entry DOI: 10.7270/Q2N58MG0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Purine nucleoside phosphorylase


(Bos taurus (bovine))
BDBM50214705
PNG
(5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-1,1-di...)
Show SMILES Nc1nc2n(CCCCC(F)(F)P(O)(O)=O)cnc2c(=O)[nH]1
Show InChI InChI=1S/C10H14F2N5O4P/c11-10(12,22(19,20)21)3-1-2-4-17-5-14-6-7(17)15-9(13)16-8(6)18/h5H,1-4H2,(H2,19,20,21)(H3,13,15,16,18)
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n/an/a 18.7n/an/an/an/an/an/a



Tokyo University of Pharmacy and Life Sciences

Curated by ChEMBL


Assay Description
Inhibition of calf spleen PNP assessed as inhibition of 25 uM 7-methylguanosine phosphorolysis by spectrophotometry in presence of 1 mM inorganic pho...


Bioorg Med Chem 18: 2275-84 (2010)


Article DOI: 10.1016/j.bmc.2010.01.062
BindingDB Entry DOI: 10.7270/Q2N58MG0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Purine nucleoside phosphorylase


(Bos taurus (bovine))
BDBM50214705
PNG
(5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-1,1-di...)
Show SMILES Nc1nc2n(CCCCC(F)(F)P(O)(O)=O)cnc2c(=O)[nH]1
Show InChI InChI=1S/C10H14F2N5O4P/c11-10(12,22(19,20)21)3-1-2-4-17-5-14-6-7(17)15-9(13)16-8(6)18/h5H,1-4H2,(H2,19,20,21)(H3,13,15,16,18)
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n/an/a 18.7n/an/an/an/an/an/a



Tokyo University of Pharmacy and Life Sciences

Curated by ChEMBL


Assay Description
Inhibition of calf PNP in presence of 1 mM phosphate


Bioorg Med Chem Lett 17: 4173-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.054
BindingDB Entry DOI: 10.7270/Q29P31CS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Purine nucleoside phosphorylase


(Homo sapiens (Human))
BDBM50214705
PNG
(5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-1,1-di...)
Show SMILES Nc1nc2n(CCCCC(F)(F)P(O)(O)=O)cnc2c(=O)[nH]1
Show InChI InChI=1S/C10H14F2N5O4P/c11-10(12,22(19,20)21)3-1-2-4-17-5-14-6-7(17)15-9(13)16-8(6)18/h5H,1-4H2,(H2,19,20,21)(H3,13,15,16,18)
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n/an/a 20.2n/an/an/an/an/an/a



Tokyo University of Pharmacy and Life Sciences

Curated by ChEMBL


Assay Description
Inhibition of human PNP in presence of 1 mM phosphate


Bioorg Med Chem Lett 17: 4173-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.054
BindingDB Entry DOI: 10.7270/Q29P31CS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Purine nucleoside phosphorylase


(Homo sapiens (Human))
BDBM50214705
PNG
(5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-1,1-di...)
Show SMILES Nc1nc2n(CCCCC(F)(F)P(O)(O)=O)cnc2c(=O)[nH]1
Show InChI InChI=1S/C10H14F2N5O4P/c11-10(12,22(19,20)21)3-1-2-4-17-5-14-6-7(17)15-9(13)16-8(6)18/h5H,1-4H2,(H2,19,20,21)(H3,13,15,16,18)
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n/an/a 20.2n/an/an/an/an/an/a



Tokyo University of Pharmacy and Life Sciences

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte PNP assessed as inhibition of 25 uM 7-methylguanosine phosphorolysis by spectrophotometry in presence of 1 mM inorgan...


Bioorg Med Chem 18: 2275-84 (2010)


Article DOI: 10.1016/j.bmc.2010.01.062
BindingDB Entry DOI: 10.7270/Q2N58MG0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Purine nucleoside phosphorylase


(Homo sapiens (Human))
BDBM50214707
PNG
(9-(5',5'-Difluoro-5'-phosphonopentyl)-9-deazaguani...)
Show SMILES Nc1nc2c(CCCCC(F)(F)P(O)(O)=O)c[nH]c2c(=O)[nH]1
Show InChI InChI=1S/C11H15F2N4O4P/c12-11(13,22(19,20)21)4-2-1-3-6-5-15-8-7(6)16-10(14)17-9(8)18/h5,15H,1-4H2,(H2,19,20,21)(H3,14,16,17,18)
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n/an/a 20.4n/an/an/an/an/an/a



Tokyo University of Pharmacy and Life Sciences

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte PNP assessed as inhibition of 25 uM 7-methylguanosine phosphorolysis by spectrophotometry in presence of 1 mM inorgan...


Bioorg Med Chem 18: 2275-84 (2010)


Article DOI: 10.1016/j.bmc.2010.01.062
BindingDB Entry DOI: 10.7270/Q2N58MG0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Purine nucleoside phosphorylase


(Homo sapiens (Human))
BDBM50214707
PNG
(9-(5',5'-Difluoro-5'-phosphonopentyl)-9-deazaguani...)
Show SMILES Nc1nc2c(CCCCC(F)(F)P(O)(O)=O)c[nH]c2c(=O)[nH]1
Show InChI InChI=1S/C11H15F2N4O4P/c12-11(13,22(19,20)21)4-2-1-3-6-5-15-8-7(6)16-10(14)17-9(8)18/h5,15H,1-4H2,(H2,19,20,21)(H3,14,16,17,18)
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n/an/a 20.4n/an/an/an/an/an/a



Tokyo University of Pharmacy and Life Sciences

Curated by ChEMBL


Assay Description
Inhibition of human PNP in presence of 1 mM phosphate


Bioorg Med Chem Lett 17: 4173-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.054
BindingDB Entry DOI: 10.7270/Q29P31CS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Purine nucleoside phosphorylase


(Homo sapiens (Human))
BDBM50308522
PNG
(9-[7',7'-Difluoro-7'-(diethylphosphono)heptyl]-9-d...)
Show SMILES CCOP(=O)(OCC)C(F)(F)CCCCCCc1c[nH]c2c1nc(N)[nH]c2=O
Show InChI InChI=1S/C17H27F2N4O4P/c1-3-26-28(25,27-4-2)17(18,19)10-8-6-5-7-9-12-11-21-14-13(12)22-16(20)23-15(14)24/h11,21H,3-10H2,1-2H3,(H3,20,22,23,24)
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n/an/a 22n/an/an/an/an/an/a



Tokyo University of Pharmacy and Life Sciences

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte PNP assessed as inhibition of 25 uM 7-methylguanosine phosphorolysis by spectrophotometry in presence of 1 mM inorgan...


Bioorg Med Chem 18: 2275-84 (2010)


Article DOI: 10.1016/j.bmc.2010.01.062
BindingDB Entry DOI: 10.7270/Q2N58MG0
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Bos taurus (bovine))
BDBM50308522
PNG
(9-[7',7'-Difluoro-7'-(diethylphosphono)heptyl]-9-d...)
Show SMILES CCOP(=O)(OCC)C(F)(F)CCCCCCc1c[nH]c2c1nc(N)[nH]c2=O
Show InChI InChI=1S/C17H27F2N4O4P/c1-3-26-28(25,27-4-2)17(18,19)10-8-6-5-7-9-12-11-21-14-13(12)22-16(20)23-15(14)24/h11,21H,3-10H2,1-2H3,(H3,20,22,23,24)
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n/an/a 42n/an/an/an/an/an/a



Tokyo University of Pharmacy and Life Sciences

Curated by ChEMBL


Assay Description
Inhibition of calf spleen PNP assessed as inhibition of 25 uM 7-methylguanosine phosphorolysis by spectrophotometry in presence of 1 mM inorganic pho...


Bioorg Med Chem 18: 2275-84 (2010)


Article DOI: 10.1016/j.bmc.2010.01.062
BindingDB Entry DOI: 10.7270/Q2N58MG0
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (Human))
BDBM50308523
PNG
(9-[4',4'-Difluoro-4'-(diethylphosphono)butyl]-9-de...)
Show SMILES CCOP(=O)(OCC)C(F)(F)CCCc1c[nH]c2c1nc(N)[nH]c2=O
Show InChI InChI=1S/C14H21F2N4O4P/c1-3-23-25(22,24-4-2)14(15,16)7-5-6-9-8-18-11-10(9)19-13(17)20-12(11)21/h8,18H,3-7H2,1-2H3,(H3,17,19,20,21)
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n/an/a 170n/an/an/an/an/an/a



Tokyo University of Pharmacy and Life Sciences

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte PNP assessed as inhibition of 25 uM 7-methylguanosine phosphorolysis by spectrophotometry in presence of 1 mM inorgan...


Bioorg Med Chem 18: 2275-84 (2010)


Article DOI: 10.1016/j.bmc.2010.01.062
BindingDB Entry DOI: 10.7270/Q2N58MG0
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (Human))
BDBM50214706
PNG
(4-(2-amino-4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyri...)
Show SMILES Nc1nc2c(CCCC(F)(F)P(O)(O)=O)c[nH]c2c(=O)[nH]1
Show InChI InChI=1S/C10H13F2N4O4P/c11-10(12,21(18,19)20)3-1-2-5-4-14-7-6(5)15-9(13)16-8(7)17/h4,14H,1-3H2,(H2,18,19,20)(H3,13,15,16,17)
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n/an/a 173n/an/an/an/an/an/a



Tokyo University of Pharmacy and Life Sciences

Curated by ChEMBL


Assay Description
Inhibition of human PNP in presence of 1 mM phosphate


Bioorg Med Chem Lett 17: 4173-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.054
BindingDB Entry DOI: 10.7270/Q29P31CS
More data for this
Ligand-Target Pair