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Compile Data Set for Download or QSAR

Found 804 hits Enz. Inhib. hit(s) with Target = 'Purine nucleoside phosphorylase'   
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))
BDBM22109
PNG
(7-{[(3R,4R)-3-hydroxy-4-(hydroxymethyl)pyrrolidin-...)
Show SMILES OC[C@H]1CN(Cc2c[nH]c3c2nc[nH]c3=O)C[C@@H]1O
Show InChI InChI=1S/C12H16N4O3/c17-5-8-3-16(4-9(8)18)2-7-1-13-11-10(7)14-6-15-12(11)19/h1,6,8-9,13,17-18H,2-5H2,(H,14,15,19)/t8-,9+/m1/s1
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n/an/an/a 0.00850n/an/an/an/an/a



Albert Einstein College of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to human PNP


Nat Chem Biol 5: 551-8 (2009)


Article DOI: 10.1038/nchembio.202
BindingDB Entry DOI: 10.7270/Q2GX4BRS
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (human))
BDBM50293091
PNG
(7-({[(1R,2S)-2,3-DIHYDROXY-1-(HYDROXYMETHYL)PROPYL...)
Show SMILES OC[C@@H](O)[C@@H](CO)NCc1c[nH]c2c1nc[nH]c2=O
Show InChI InChI=1S/C11H16N4O4/c16-3-7(8(18)4-17)12-1-6-2-13-10-9(6)14-5-15-11(10)19/h2,5,7-8,12-13,16-18H,1,3-4H2,(H,14,15,19)/t7-,8-/m1/s1
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US Patent
n/an/an/a 0.00860n/an/an/an/an/a



Industrial Research Limited; Albert Einstein College of Medicine of Yeshiva University

US Patent


Assay Description
The inhibitor dissociation constants reported in Table 1 below are for phosphorolysis of inosine by PNP and were based on reaction rates measurements...


US Patent US8853224 (2014)


BindingDB Entry DOI: 10.7270/Q27H1H84
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Purine Nucleoside Phosphorylase (PNP)


(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
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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n/an/an/a 0.0230n/an/an/an/an/a



University of Warsaw

Curated by ChEMBL


Assay Description
Binding affinity to calf recombinant PNP expressed in Escherichia coli BL21 (DE3) by isothermal titration calorimetry


Bioorg Med Chem 20: 6758-69 (2012)


Article DOI: 10.1016/j.bmc.2012.08.045
BindingDB Entry DOI: 10.7270/Q23N24H7
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (human))
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
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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n/an/an/a 0.0560n/an/an/an/an/a



Instituto de Parasitología y Biomedicina López-Neyra

Curated by ChEMBL


Assay Description
Inhibition of human PNP


Eur J Med Chem 45: 5140-9 (2010)


Article DOI: 10.1016/j.ejmech.2010.08.026
BindingDB Entry DOI: 10.7270/Q24J0FB7
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (human))
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
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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n/an/an/a 0.0580n/an/an/an/an/a



Albert Einstein College of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to human PNP


Nat Chem Biol 5: 551-8 (2009)


Article DOI: 10.1038/nchembio.202
BindingDB Entry DOI: 10.7270/Q2GX4BRS
More data for this
Ligand-Target Pair
Purine Nucleoside Phosphorylase (PNP)


(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/an/a 0.100n/an/an/an/an/a



University of Warsaw

Curated by ChEMBL


Assay Description
Binding affinity to calf recombinant PNP expressed in Escherichia coli BL21 (DE3) by isothermal titration calorimetry/ fluorimetric titration analysi...


Bioorg Med Chem 20: 6758-69 (2012)


Article DOI: 10.1016/j.bmc.2012.08.045
BindingDB Entry DOI: 10.7270/Q23N24H7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Purine nucleoside phosphorylase


(Homo sapiens (human))
BDBM92929
PNG
(Immucillins, 13)
Show SMILES O[C@H]1CN(Cc2c[nH]c3c2nc[nH]c3=O)C[C@@H]1O
Show InChI InChI=1S/C11H12N4O3/c16-7-3-15(4-8(7)17)2-6-1-12-10-9(6)13-5-14-11(10)18/h1,5,7-8,16-17H,2-4H2/t7-,8-/m0/s1
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n/an/an/a 0.156n/an/an/an/an/a



Albert Einstein College of Medicine



Assay Description
Inhibition assay using human PNP.


Biochemistry 48: 5226-38 (2009)


Article DOI: 10.1021/bi9005896
BindingDB Entry DOI: 10.7270/Q2SB44C9
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (human))
BDBM50293060
PNG
(7-{(1S)-1-[(1,3-Dihydroxypropan-2-yl)amino]-2-hydr...)
Show SMILES OCC(CO)N[C@H](CO)c1c[nH]c2c1nc[nH]c2=O
Show InChI InChI=1S/C11H16N4O4/c16-2-6(3-17)15-8(4-18)7-1-12-10-9(7)13-5-14-11(10)19/h1,5-6,8,12,15-18H,2-4H2,(H,13,14,19)/t8-/m1/s1
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US Patent
n/an/an/a 0.210n/an/an/an/an/a



Industrial Research Limited; Albert Einstein College of Medicine of Yeshiva University

US Patent


Assay Description
The inhibitor dissociation constants reported in Table 1 below are for phosphorolysis of inosine by PNP and were based on reaction rates measurements...


US Patent US8853224 (2014)


BindingDB Entry DOI: 10.7270/Q27H1H84
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (human))
BDBM92927
PNG
(Immucillins, 11)
Show SMILES OC1CCN(Cc2c[nH]c3c2nc[nH]c3=O)C1
Show InChI InChI=1S/C11H12N4O2/c16-8-1-2-15(5-8)4-7-3-12-10-9(7)13-6-14-11(10)17/h3,6,8,16H,1-2,4-5H2
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n/an/an/a 0.383n/an/an/an/an/a



Albert Einstein College of Medicine



Assay Description
Inhibition assay using human PNP.


Biochemistry 48: 5226-38 (2009)


Article DOI: 10.1021/bi9005896
BindingDB Entry DOI: 10.7270/Q2SB44C9
More data for this
Ligand-Target Pair
Purine Nucleoside Phosphorylase (PNP)


(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/an/a 0.460n/an/an/an/an/a



University of Warsaw

Curated by ChEMBL


Assay Description
Binding affinity to calf recombinant PNP expressed in Escherichia coli BL21 (DE3) by isothermal titration calorimetry/ fluorimetric titration analysi...


Bioorg Med Chem 20: 6758-69 (2012)


Article DOI: 10.1016/j.bmc.2012.08.045
BindingDB Entry DOI: 10.7270/Q23N24H7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Purine nucleoside phosphorylase


(Homo sapiens (human))
BDBM50293063
PNG
(7-{[(1,3-Dihydroxypropan-2-yl)(2-hydroxyethyl)amin...)
Show SMILES OCCN(Cc1c[nH]c2c1nc[nH]c2=O)C(CO)CO
Show InChI InChI=1S/C12H18N4O4/c17-2-1-16(9(5-18)6-19)4-8-3-13-11-10(8)14-7-15-12(11)20/h3,7,9,13,17-19H,1-2,4-6H2,(H,14,15,20)
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US Patent
n/an/an/a 0.469n/an/an/an/an/a



Industrial Research Limited; Albert Einstein College of Medicine of Yeshiva University

US Patent


Assay Description
The inhibitor dissociation constants reported in Table 1 below are for phosphorolysis of inosine by PNP and were based on reaction rates measurements...


US Patent US8853224 (2014)


BindingDB Entry DOI: 10.7270/Q27H1H84
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (human))
BDBM50293064
PNG
(7-({[1,3-Dihydroxy-2-(hydroxymethyl)propan-2-yl]am...)
Show SMILES OCC(CO)(CO)NCc1c[nH]c2c1nc[nH]c2=O
Show InChI InChI=1S/C11H16N4O4/c16-3-11(4-17,5-18)15-2-7-1-12-9-8(7)13-6-14-10(9)19/h1,6,12,15-18H,2-5H2,(H,13,14,19)
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US Patent
n/an/an/a 0.620n/an/an/an/an/a



Industrial Research Limited; Albert Einstein College of Medicine of Yeshiva University

US Patent


Assay Description
The inhibitor dissociation constants reported in Table 1 below are for phosphorolysis of inosine by PNP and were based on reaction rates measurements...


US Patent US8853224 (2014)


BindingDB Entry DOI: 10.7270/Q27H1H84
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (human))
BDBM50293085
PNG
(7-({[(2R/S,3S/R)-3,4-Dihydroxy-2-(hydroxymethyl)bu...)
Show SMILES OCC(O)C(CO)CNCc1c[nH]c2c1nc[nH]c2=O
Show InChI InChI=1S/C12H18N4O4/c17-4-8(9(19)5-18)2-13-1-7-3-14-11-10(7)15-6-16-12(11)20/h3,6,8-9,13-14,17-19H,1-2,4-5H2,(H,15,16,20)
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US Patent
n/an/an/a 0.780n/an/an/an/an/a



Industrial Research Limited; Albert Einstein College of Medicine of Yeshiva University

US Patent


Assay Description
The inhibitor dissociation constants reported in Table 1 below are for phosphorolysis of inosine by PNP and were based on reaction rates measurements...


US Patent US8853224 (2014)


BindingDB Entry DOI: 10.7270/Q27H1H84
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (human))
BDBM50293067
PNG
(7-({[(2S,3R)-1,3,4-Trihydroxybutan-2-yl]amino}meth...)
Show SMILES OC[C@H](O)[C@H](CO)NCc1c[nH]c2c1nc[nH]c2=O
Show InChI InChI=1S/C11H16N4O4/c16-3-7(8(18)4-17)12-1-6-2-13-10-9(6)14-5-15-11(10)19/h2,5,7-8,12-13,16-18H,1,3-4H2,(H,14,15,19)/t7-,8-/m0/s1
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n/an/an/a 1n/an/an/an/an/a



Industrial Research Limited; Albert Einstein College of Medicine of Yeshiva University

US Patent


Assay Description
The inhibitor dissociation constants reported in Table 1 below are for phosphorolysis of inosine by PNP and were based on reaction rates measurements...


US Patent US8853224 (2014)


BindingDB Entry DOI: 10.7270/Q27H1H84
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (human))
BDBM50293068
PNG
(7-{[(2-Hydroxyethyl)amino]methyl}-3,5-dihydro-4H-p...)
Show SMILES OCCNCc1c[nH]c2c1nc[nH]c2=O
Show InChI InChI=1S/C9H12N4O2/c14-2-1-10-3-6-4-11-8-7(6)12-5-13-9(8)15/h4-5,10-11,14H,1-3H2,(H,12,13,15)
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n/an/an/a 1.10n/an/an/an/an/a



Industrial Research Limited; Albert Einstein College of Medicine of Yeshiva University

US Patent


Assay Description
The inhibitor dissociation constants reported in Table 1 below are for phosphorolysis of inosine by PNP and were based on reaction rates measurements...


US Patent US8853224 (2014)


BindingDB Entry DOI: 10.7270/Q27H1H84
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (human))
BDBM136302
PNG
(US8853224, 12 | US9290501, MT-TrisMe-ImmH)
Show SMILES CSCC(CO)(CO)NCc1c[nH]c2c1nc[nH]c2=O
Show InChI InChI=1S/C12H18N4O3S/c1-20-6-12(4-17,5-18)16-3-8-2-13-10-9(8)14-7-15-11(10)19/h2,7,13,16-18H,3-6H2,1H3,(H,14,15,19)
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n/an/an/a 3n/an/an/an/an/a



Industrial Research Limited; Albert Einstein College of Medicine of Yeshiva University

US Patent


Assay Description
The inhibitor dissociation constants reported in Table 1 below are for phosphorolysis of inosine by PNP and were based on reaction rates measurements...


US Patent US8853224 (2014)


BindingDB Entry DOI: 10.7270/Q27H1H84
More data for this
Ligand-Target Pair
Purine Nucleoside Phosphorylase (PNP)


(Bos taurus (bovine))
BDBM50394444
PNG
(CHEMBL2159649)
Show SMILES Nc1nc2c(CNCCC(F)(F)P(O)(O)=O)c[nH]c2c(=O)[nH]1
Show InChI InChI=1S/C10H14F2N5O4P/c11-10(12,22(19,20)21)1-2-14-3-5-4-15-7-6(5)16-9(13)17-8(7)18/h4,14-15H,1-3H2,(H2,19,20,21)(H3,13,16,17,18)
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n/an/an/a 3.60n/an/an/an/an/a



University of Warsaw

Curated by ChEMBL


Assay Description
Binding affinity to calf recombinant PNP expressed in Escherichia coli BL21 (DE3) by isothermal titration calorimetry/ fluorimetric titration analysi...


Bioorg Med Chem 20: 6758-69 (2012)


Article DOI: 10.1016/j.bmc.2012.08.045
BindingDB Entry DOI: 10.7270/Q23N24H7
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (human))
BDBM50293070
PNG
(7-({[3-Hydroxy-2-(hydroxymethyl)propyl](methyl)ami...)
Show SMILES CN(CC(CO)CO)Cc1c[nH]c2c1nc[nH]c2=O
Show InChI InChI=1S/C12H18N4O3/c1-16(3-8(5-17)6-18)4-9-2-13-11-10(9)14-7-15-12(11)19/h2,7-8,13,17-18H,3-6H2,1H3,(H,14,15,19)
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n/an/an/a 3.70n/an/an/an/an/a



Industrial Research Limited; Albert Einstein College of Medicine of Yeshiva University

US Patent


Assay Description
The inhibitor dissociation constants reported in Table 1 below are for phosphorolysis of inosine by PNP and were based on reaction rates measurements...


US Patent US8853224 (2014)


BindingDB Entry DOI: 10.7270/Q27H1H84
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (human))
BDBM50293071
PNG
(7-({[(2S)-2,3-Dihydroxypropyl]amino}methyl)-3,5-di...)
Show SMILES OC[C@@H](O)CNCc1c[nH]c2c1nc[nH]c2=O
Show InChI InChI=1S/C10H14N4O3/c15-4-7(16)3-11-1-6-2-12-9-8(6)13-5-14-10(9)17/h2,5,7,11-12,15-16H,1,3-4H2,(H,13,14,17)/t7-/m0/s1
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n/an/an/a 4.20n/an/an/an/an/a



Industrial Research Limited; Albert Einstein College of Medicine of Yeshiva University

US Patent


Assay Description
The inhibitor dissociation constants reported in Table 1 below are for phosphorolysis of inosine by PNP and were based on reaction rates measurements...


US Patent US8853224 (2014)


BindingDB Entry DOI: 10.7270/Q27H1H84
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (human))
BDBM50293072
PNG
(7-({[(2R,3R)-1,3,4-Trihydroxybutan-2-yl]amino}meth...)
Show SMILES OC[C@H](O)[C@@H](CO)NCc1c[nH]c2c1nc[nH]c2=O
Show InChI InChI=1S/C11H16N4O4/c16-3-7(8(18)4-17)12-1-6-2-13-10-9(6)14-5-15-11(10)19/h2,5,7-8,12-13,16-18H,1,3-4H2,(H,14,15,19)/t7-,8+/m1/s1
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n/an/an/a 4.30n/an/an/an/an/a



Industrial Research Limited; Albert Einstein College of Medicine of Yeshiva University

US Patent


Assay Description
The inhibitor dissociation constants reported in Table 1 below are for phosphorolysis of inosine by PNP and were based on reaction rates measurements...


US Patent US8853224 (2014)


BindingDB Entry DOI: 10.7270/Q27H1H84
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (human))
BDBM50293073
PNG
(7-({[(2S,3S)-1,3,4-Trihydroxybutan-2-yl]amino}meth...)
Show SMILES OC[C@@H](O)[C@H](CO)NCc1c[nH]c2c1nc[nH]c2=O
Show InChI InChI=1S/C11H16N4O4/c16-3-7(8(18)4-17)12-1-6-2-13-10-9(6)14-5-15-11(10)19/h2,5,7-8,12-13,16-18H,1,3-4H2,(H,14,15,19)/t7-,8+/m0/s1
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n/an/an/a 5.20n/an/an/an/an/a



Industrial Research Limited; Albert Einstein College of Medicine of Yeshiva University

US Patent


Assay Description
The inhibitor dissociation constants reported in Table 1 below are for phosphorolysis of inosine by PNP and were based on reaction rates measurements...


US Patent US8853224 (2014)


BindingDB Entry DOI: 10.7270/Q27H1H84
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (human))
BDBM50330392
PNG
(7-(pyrrolidin-1-ylmethyl)-3H-pyrrolo[3,2-d]pyrimid...)
Show SMILES O=c1[nH]cnc2c(CN3CCCC3)c[nH]c12
Show InChI InChI=1S/C11H14N4O/c16-11-10-9(13-7-14-11)8(5-12-10)6-15-3-1-2-4-15/h5,7,12H,1-4,6H2,(H,13,14,16)
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n/an/an/a 5.5n/an/an/an/an/a



Instituto de Parasitología y Biomedicina López-Neyra

Curated by ChEMBL


Assay Description
Inhibition of human PNP


Eur J Med Chem 45: 5140-9 (2010)


Article DOI: 10.1016/j.ejmech.2010.08.026
BindingDB Entry DOI: 10.7270/Q24J0FB7
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (human))
BDBM136310
PNG
(US8853224, 28)
Show SMILES CSCC(CNCc1c[nH]c2c1nc[nH]c2=O)[C@H](O)CO
Show InChI InChI=1S/C13H20N4O3S/c1-21-6-9(10(19)5-18)3-14-2-8-4-15-12-11(8)16-7-17-13(12)20/h4,7,9-10,14-15,18-19H,2-3,5-6H2,1H3,(H,16,17,20)/t9?,10-/m1/s1
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n/an/an/a 5.60n/an/an/an/an/a



Industrial Research Limited; Albert Einstein College of Medicine of Yeshiva University

US Patent


Assay Description
The inhibitor dissociation constants reported in Table 1 below are for phosphorolysis of inosine by PNP and were based on reaction rates measurements...


US Patent US8853224 (2014)


BindingDB Entry DOI: 10.7270/Q27H1H84
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (human))
BDBM50293075
PNG
(7-({[3-Hydroxy-2-(hydroxymethyl)propyl]amino}methy...)
Show SMILES OCC(CO)CNCc1c[nH]c2c1nc[nH]c2=O
Show InChI InChI=1S/C11H16N4O3/c16-4-7(5-17)1-12-2-8-3-13-10-9(8)14-6-15-11(10)18/h3,6-7,12-13,16-17H,1-2,4-5H2,(H,14,15,18)
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n/an/an/a 14.1n/an/an/an/an/a



Industrial Research Limited; Albert Einstein College of Medicine of Yeshiva University

US Patent


Assay Description
The inhibitor dissociation constants reported in Table 1 below are for phosphorolysis of inosine by PNP and were based on reaction rates measurements...


US Patent US8853224 (2014)


BindingDB Entry DOI: 10.7270/Q27H1H84
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (human))
BDBM50293076
PNG
(7-({[(2R)-2,3-Dihydroxypropyl]amino}methyl)-3,5-di...)
Show SMILES OC[C@H](O)CNCc1c[nH]c2c1nc[nH]c2=O
Show InChI InChI=1S/C10H14N4O3/c15-4-7(16)3-11-1-6-2-12-9-8(6)13-5-14-10(9)17/h2,5,7,11-12,15-16H,1,3-4H2,(H,13,14,17)/t7-/m1/s1
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n/an/an/a 14.9n/an/an/an/an/a



Industrial Research Limited; Albert Einstein College of Medicine of Yeshiva University

US Patent


Assay Description
The inhibitor dissociation constants reported in Table 1 below are for phosphorolysis of inosine by PNP and were based on reaction rates measurements...


US Patent US8853224 (2014)


BindingDB Entry DOI: 10.7270/Q27H1H84
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (human))
BDBM136306
PNG
(US8853224, 24)
Show SMILES CSC[C@H](NCc1c[nH]c2c1nc[nH]c2=O)[C@H](O)CO
Show InChI InChI=1S/C12H18N4O3S/c1-20-5-8(9(18)4-17)13-2-7-3-14-11-10(7)15-6-16-12(11)19/h3,6,8-9,13-14,17-18H,2,4-5H2,1H3,(H,15,16,19)/t8-,9+/m0/s1
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n/an/an/a 15n/an/an/an/an/a



Industrial Research Limited; Albert Einstein College of Medicine of Yeshiva University

US Patent


Assay Description
The inhibitor dissociation constants reported in Table 1 below are for phosphorolysis of inosine by PNP and were based on reaction rates measurements...


US Patent US8853224 (2014)


BindingDB Entry DOI: 10.7270/Q27H1H84
More data for this
Ligand-Target Pair
Purine Nucleoside Phosphorylase (PNP)


(Plasmodium falciparum)
BDBM136306
PNG
(US8853224, 24)
Show SMILES CSC[C@H](NCc1c[nH]c2c1nc[nH]c2=O)[C@H](O)CO
Show InChI InChI=1S/C12H18N4O3S/c1-20-5-8(9(18)4-17)13-2-7-3-14-11-10(7)15-6-16-12(11)19/h3,6,8-9,13-14,17-18H,2,4-5H2,1H3,(H,15,16,19)/t8-,9+/m0/s1
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n/an/an/a 19n/an/an/an/an/a



Industrial Research Limited; Albert Einstein College of Medicine of Yeshiva University

US Patent


Assay Description
The inhibitor dissociation constants reported in Table 1 below are for phosphorolysis of inosine by PNP and were based on reaction rates measurements...


US Patent US8853224 (2014)


BindingDB Entry DOI: 10.7270/Q27H1H84
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (human))
BDBM136312
PNG
(US8853224, 29)
Show SMILES CSCC(CN(Cc1c[nH]c2c1nc[nH]c2=O)Cc1ccccc1)[C@H](O)CO
Show InChI InChI=1S/C20H26N4O3S/c1-28-12-16(17(26)11-25)10-24(8-14-5-3-2-4-6-14)9-15-7-21-19-18(15)22-13-23-20(19)27/h2-7,13,16-17,21,25-26H,8-12H2,1H3,(H,22,23,27)/t16?,17-/m1/s1
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n/an/an/a 22n/an/an/an/an/a



Industrial Research Limited; Albert Einstein College of Medicine of Yeshiva University

US Patent


Assay Description
The inhibitor dissociation constants reported in Table 1 below are for phosphorolysis of inosine by PNP and were based on reaction rates measurements...


US Patent US8853224 (2014)


BindingDB Entry DOI: 10.7270/Q27H1H84
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (human))
BDBM50293077
PNG
(7-{[(4-Hydroxybutyl)amino]methyl}-3,5-dihydro-4H-p...)
Show SMILES OCCCCNCc1c[nH]c2c1nc[nH]c2=O
Show InChI InChI=1S/C11H16N4O2/c16-4-2-1-3-12-5-8-6-13-10-9(8)14-7-15-11(10)17/h6-7,12-13,16H,1-5H2,(H,14,15,17)
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n/an/an/a 25n/an/an/an/an/a



Industrial Research Limited; Albert Einstein College of Medicine of Yeshiva University

US Patent


Assay Description
The inhibitor dissociation constants reported in Table 1 below are for phosphorolysis of inosine by PNP and were based on reaction rates measurements...


US Patent US8853224 (2014)


BindingDB Entry DOI: 10.7270/Q27H1H84
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (human))
BDBM50293078
PNG
(7-({[(2S,3R)-2,3,4-Trihydroxybutyl]amino}methyl)-3...)
Show SMILES OC[C@@H](O)[C@@H](O)CNCc1c[nH]c2c1nc[nH]c2=O
Show InChI InChI=1S/C11H16N4O4/c16-4-8(18)7(17)3-12-1-6-2-13-10-9(6)14-5-15-11(10)19/h2,5,7-8,12-13,16-18H,1,3-4H2,(H,14,15,19)/t7-,8+/m0/s1
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n/an/an/a 31n/an/an/an/an/a



Industrial Research Limited; Albert Einstein College of Medicine of Yeshiva University

US Patent


Assay Description
The inhibitor dissociation constants reported in Table 1 below are for phosphorolysis of inosine by PNP and were based on reaction rates measurements...


US Patent US8853224 (2014)


BindingDB Entry DOI: 10.7270/Q27H1H84
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (human))
BDBM136313
PNG
(US8853224, 19)
Show SMILES CSC[C@H](O)[C@@H](O)CNCc1c[nH]c2c1nc[nH]c2=O
Show InChI InChI=1S/C12H18N4O3S/c1-20-5-9(18)8(17)4-13-2-7-3-14-11-10(7)15-6-16-12(11)19/h3,6,8-9,13-14,17-18H,2,4-5H2,1H3,(H,15,16,19)/t8-,9-/m0/s1
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n/an/an/a 51n/an/an/an/an/a



Industrial Research Limited; Albert Einstein College of Medicine of Yeshiva University

US Patent


Assay Description
The inhibitor dissociation constants reported in Table 1 below are for phosphorolysis of inosine by PNP and were based on reaction rates measurements...


US Patent US8853224 (2014)


BindingDB Entry DOI: 10.7270/Q27H1H84
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (human))
BDBM92930
PNG
(Immucillins, 14)
Show SMILES O[C@@H]1CN(Cc2c[nH]c3c2nc[nH]c3=O)C[C@H]1O
Show InChI InChI=1S/C11H12N4O3/c16-7-3-15(4-8(7)17)2-6-1-12-10-9(6)13-5-14-11(10)18/h1,5,7-8,16-17H,2-4H2/t7-,8-/m1/s1
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n/an/an/a 53n/an/an/an/an/a



Albert Einstein College of Medicine



Assay Description
Inhibition assay using human PNP.


Biochemistry 48: 5226-38 (2009)


Article DOI: 10.1021/bi9005896
BindingDB Entry DOI: 10.7270/Q2SB44C9
More data for this
Ligand-Target Pair
Purine Nucleoside Phosphorylase (PNP)


(Plasmodium falciparum)
BDBM50293091
PNG
(7-({[(1R,2S)-2,3-DIHYDROXY-1-(HYDROXYMETHYL)PROPYL...)
Show SMILES OC[C@@H](O)[C@@H](CO)NCc1c[nH]c2c1nc[nH]c2=O
Show InChI InChI=1S/C11H16N4O4/c16-3-7(8(18)4-17)12-1-6-2-13-10-9(6)14-5-15-11(10)19/h2,5,7-8,12-13,16-18H,1,3-4H2,(H,14,15,19)/t7-,8-/m1/s1
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n/an/an/a 55n/an/an/an/an/a



Industrial Research Limited; Albert Einstein College of Medicine of Yeshiva University

US Patent


Assay Description
The inhibitor dissociation constants reported in Table 1 below are for phosphorolysis of inosine by PNP and were based on reaction rates measurements...


US Patent US8853224 (2014)


BindingDB Entry DOI: 10.7270/Q27H1H84
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (human))
BDBM136308
PNG
(US8853224, 26)
Show SMILES CSC[C@@H](NCc1c[nH]c2c1nc[nH]c2=O)[C@H](O)CO
Show InChI InChI=1S/C12H18N4O3S/c1-20-5-8(9(18)4-17)13-2-7-3-14-11-10(7)15-6-16-12(11)19/h3,6,8-9,13-14,17-18H,2,4-5H2,1H3,(H,15,16,19)/t8-,9-/m1/s1
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n/an/an/a 71n/an/an/an/an/a



Industrial Research Limited; Albert Einstein College of Medicine of Yeshiva University

US Patent


Assay Description
The inhibitor dissociation constants reported in Table 1 below are for phosphorolysis of inosine by PNP and were based on reaction rates measurements...


US Patent US8853224 (2014)


BindingDB Entry DOI: 10.7270/Q27H1H84
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (human))
BDBM136307
PNG
(US8853224, 25)
Show SMILES CSC[C@@H](NCc1c[nH]c2c(O)ncnc12)[C@@H](O)CO
Show InChI InChI=1S/C12H18N4O3S/c1-20-5-8(9(18)4-17)13-2-7-3-14-11-10(7)15-6-16-12(11)19/h3,6,8-9,13-14,17-18H,2,4-5H2,1H3,(H,15,16,19)/t8-,9+/m1/s1
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n/an/an/a 74n/an/an/an/an/a



Industrial Research Limited; Albert Einstein College of Medicine of Yeshiva University

US Patent


Assay Description
The inhibitor dissociation constants reported in Table 1 below are for phosphorolysis of inosine by PNP and were based on reaction rates measurements...


US Patent US8853224 (2014)


BindingDB Entry DOI: 10.7270/Q27H1H84
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (human))
BDBM136304
PNG
(US8853224, 20.5)
Show SMILES OCC(O)C(O)CNCc1c[nH]c2c1nc[nH]c2=O
Show InChI InChI=1S/C11H14N4O4/c16-4-8(18)7(17)3-12-1-6-2-13-10-9(6)14-5-15-11(10)19/h2,5,7-8,12,16-18H,1,3-4H2
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n/an/an/a 84n/an/an/an/an/a



Industrial Research Limited; Albert Einstein College of Medicine of Yeshiva University

US Patent


Assay Description
The inhibitor dissociation constants reported in Table 1 below are for phosphorolysis of inosine by PNP and were based on reaction rates measurements...


US Patent US8853224 (2014)


BindingDB Entry DOI: 10.7270/Q27H1H84
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (human))
BDBM50293081
PNG
(7-({[(2R)-2,3-Dihydroxypropyl](2-hydroxyethyl)amin...)
Show SMILES OCCN(C[C@H](O)CO)Cc1c[nH]c2c1nc[nH]c2=O
Show InChI InChI=1S/C12H18N4O4/c17-2-1-16(5-9(19)6-18)4-8-3-13-11-10(8)14-7-15-12(11)20/h3,7,9,13,17-19H,1-2,4-6H2,(H,14,15,20)/t9-/m0/s1
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n/an/an/a 96n/an/an/an/an/a



Industrial Research Limited; Albert Einstein College of Medicine of Yeshiva University

US Patent


Assay Description
The inhibitor dissociation constants reported in Table 1 below are for phosphorolysis of inosine by PNP and were based on reaction rates measurements...


US Patent US8853224 (2014)


BindingDB Entry DOI: 10.7270/Q27H1H84
More data for this
Ligand-Target Pair
Purine Nucleoside Phosphorylase (PNP)


(Bos taurus (bovine))
BDBM50200094
PNG
(2-amino-1,9-dihydro-6H-purin-6-one | CHEMBL219568 ...)
Show SMILES Nc1nc2nc[nH]c2c(=O)[nH]1
Show InChI InChI=1S/C5H5N5O/c6-5-9-3-2(4(11)10-5)7-1-8-3/h1H,(H4,6,7,8,9,10,11)
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n/an/an/a 120n/an/an/an/an/a



University of Warsaw

Curated by ChEMBL


Assay Description
Binding affinity to calf recombinant PNP expressed in Escherichia coli BL21 (DE3) by isothermal titration calorimetry


Bioorg Med Chem 20: 6758-69 (2012)


Article DOI: 10.1016/j.bmc.2012.08.045
BindingDB Entry DOI: 10.7270/Q23N24H7
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (human))
BDBM136309
PNG
(US8853224, 27)
Show SMILES CSC[C@H](NCc1c[nH]c2c1nc[nH]c2=O)[C@@H](O)CO
Show InChI InChI=1S/C12H18N4O3S/c1-20-5-8(9(18)4-17)13-2-7-3-14-11-10(7)15-6-16-12(11)19/h3,6,8-9,13-14,17-18H,2,4-5H2,1H3,(H,15,16,19)/t8-,9-/m0/s1
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n/an/an/a 142n/an/an/an/an/a



Industrial Research Limited; Albert Einstein College of Medicine of Yeshiva University

US Patent


Assay Description
The inhibitor dissociation constants reported in Table 1 below are for phosphorolysis of inosine by PNP and were based on reaction rates measurements...


US Patent US8853224 (2014)


BindingDB Entry DOI: 10.7270/Q27H1H84
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (human))
BDBM136311
PNG
(US8853224, 23)
Show SMILES CSCC(CNCc1c[nH]c2c1nc[nH]c2=O)C(O)CO
Show InChI InChI=1S/C13H18N4O3S/c1-21-6-9(10(19)5-18)3-14-2-8-4-15-12-11(8)16-7-17-13(12)20/h4,7,9-10,14,18-19H,2-3,5-6H2,1H3
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n/an/an/a 159n/an/an/an/an/a



Industrial Research Limited; Albert Einstein College of Medicine of Yeshiva University

US Patent


Assay Description
The inhibitor dissociation constants reported in Table 1 below are for phosphorolysis of inosine by PNP and were based on reaction rates measurements...


US Patent US8853224 (2014)


BindingDB Entry DOI: 10.7270/Q27H1H84
More data for this
Ligand-Target Pair
Purine Nucleoside Phosphorylase (PNP)


(Bos taurus (bovine))
BDBM50200094
PNG
(2-amino-1,9-dihydro-6H-purin-6-one | CHEMBL219568 ...)
Show SMILES Nc1nc2nc[nH]c2c(=O)[nH]1
Show InChI InChI=1S/C5H5N5O/c6-5-9-3-2(4(11)10-5)7-1-8-3/h1H,(H4,6,7,8,9,10,11)
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n/an/an/a 160n/an/an/an/an/a



University of Warsaw

Curated by ChEMBL


Assay Description
Binding affinity to calf recombinant PNP expressed in Escherichia coli BL21 (DE3) by fluorimetric titration analysis


Bioorg Med Chem 20: 6758-69 (2012)


Article DOI: 10.1016/j.bmc.2012.08.045
BindingDB Entry DOI: 10.7270/Q23N24H7
More data for this
Ligand-Target Pair
Purine Nucleoside Phosphorylase (PNP)


(Bos taurus (bovine))
BDBM50108005
PNG
(2-Amino-3,5-dihydro-pyrrolo[3,2-d]pyrimidin-4-one ...)
Show SMILES Nc1nc2cc[nH]c2c(=O)[nH]1
Show InChI InChI=1S/C6H6N4O/c7-6-9-3-1-2-8-4(3)5(11)10-6/h1-2,8H,(H3,7,9,10,11)
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n/an/an/a 160n/an/an/an/an/a



University of Warsaw

Curated by ChEMBL


Assay Description
Binding affinity to calf recombinant PNP expressed in Escherichia coli BL21 (DE3) by isothermal titration calorimetry


Bioorg Med Chem 20: 6758-69 (2012)


Article DOI: 10.1016/j.bmc.2012.08.045
BindingDB Entry DOI: 10.7270/Q23N24H7
More data for this
Ligand-Target Pair
Purine Nucleoside Phosphorylase (PNP)


(Plasmodium falciparum)
BDBM50293064
PNG
(7-({[1,3-Dihydroxy-2-(hydroxymethyl)propan-2-yl]am...)
Show SMILES OCC(CO)(CO)NCc1c[nH]c2c1nc[nH]c2=O
Show InChI InChI=1S/C11H16N4O4/c16-3-11(4-17,5-18)15-2-7-1-12-9-8(7)13-6-14-10(9)19/h1,6,12,15-18H,2-5H2,(H,13,14,19)
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US Patent
n/an/an/a 163n/an/an/an/an/a



Industrial Research Limited; Albert Einstein College of Medicine of Yeshiva University

US Patent


Assay Description
The inhibitor dissociation constants reported in Table 1 below are for phosphorolysis of inosine by PNP and were based on reaction rates measurements...


US Patent US8853224 (2014)


BindingDB Entry DOI: 10.7270/Q27H1H84
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (human))
BDBM50293079
PNG
(7-({[(2S)-2,3-Dihydroxypropyl](2-hydroxyethyl)amin...)
Show SMILES OCCN(C[C@@H](O)CO)Cc1c[nH]c2c1nc[nH]c2=O
Show InChI InChI=1S/C12H18N4O4/c17-2-1-16(5-9(19)6-18)4-8-3-13-11-10(8)14-7-15-12(11)20/h3,7,9,13,17-19H,1-2,4-6H2,(H,14,15,20)/t9-/m1/s1
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n/an/an/a 165n/an/an/an/an/a



Industrial Research Limited; Albert Einstein College of Medicine of Yeshiva University

US Patent


Assay Description
The inhibitor dissociation constants reported in Table 1 below are for phosphorolysis of inosine by PNP and were based on reaction rates measurements...


US Patent US8853224 (2014)


BindingDB Entry DOI: 10.7270/Q27H1H84
More data for this
Ligand-Target Pair
Purine Nucleoside Phosphorylase (PNP)


(Bos taurus (bovine))
BDBM50108005
PNG
(2-Amino-3,5-dihydro-pyrrolo[3,2-d]pyrimidin-4-one ...)
Show SMILES Nc1nc2cc[nH]c2c(=O)[nH]1
Show InChI InChI=1S/C6H6N4O/c7-6-9-3-1-2-8-4(3)5(11)10-6/h1-2,8H,(H3,7,9,10,11)
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n/an/an/a 170n/an/an/an/an/a



University of Warsaw

Curated by ChEMBL


Assay Description
Binding affinity to calf recombinant PNP expressed in Escherichia coli BL21 (DE3) by fluorimetric titration analysis


Bioorg Med Chem 20: 6758-69 (2012)


Article DOI: 10.1016/j.bmc.2012.08.045
BindingDB Entry DOI: 10.7270/Q23N24H7
More data for this
Ligand-Target Pair
Purine Nucleoside Phosphorylase (PNP)


(Plasmodium falciparum)
BDBM50293067
PNG
(7-({[(2S,3R)-1,3,4-Trihydroxybutan-2-yl]amino}meth...)
Show SMILES OC[C@H](O)[C@H](CO)NCc1c[nH]c2c1nc[nH]c2=O
Show InChI InChI=1S/C11H16N4O4/c16-3-7(8(18)4-17)12-1-6-2-13-10-9(6)14-5-15-11(10)19/h2,5,7-8,12-13,16-18H,1,3-4H2,(H,14,15,19)/t7-,8-/m0/s1
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US Patent
n/an/an/a 210n/an/an/an/an/a



Industrial Research Limited; Albert Einstein College of Medicine of Yeshiva University

US Patent


Assay Description
The inhibitor dissociation constants reported in Table 1 below are for phosphorolysis of inosine by PNP and were based on reaction rates measurements...


US Patent US8853224 (2014)


BindingDB Entry DOI: 10.7270/Q27H1H84
More data for this
Ligand-Target Pair
Purine Nucleoside Phosphorylase (PNP)


(Plasmodium falciparum)
BDBM50293075
PNG
(7-({[3-Hydroxy-2-(hydroxymethyl)propyl]amino}methy...)
Show SMILES OCC(CO)CNCc1c[nH]c2c1nc[nH]c2=O
Show InChI InChI=1S/C11H16N4O3/c16-4-7(5-17)1-12-2-8-3-13-10-9(8)14-6-15-11(10)18/h3,6-7,12-13,16-17H,1-2,4-5H2,(H,14,15,18)
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US Patent
n/an/an/a 210n/an/an/an/an/a



Industrial Research Limited; Albert Einstein College of Medicine of Yeshiva University

US Patent


Assay Description
The inhibitor dissociation constants reported in Table 1 below are for phosphorolysis of inosine by PNP and were based on reaction rates measurements...


US Patent US8853224 (2014)


BindingDB Entry DOI: 10.7270/Q27H1H84
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (human))
BDBM50293083
PNG
(7-({[(2R/S)-2,4-Dihydroxybutyl](methyl)amino}methy...)
Show SMILES CN(CC(O)CCO)Cc1c[nH]c2c1nc[nH]c2=O
Show InChI InChI=1S/C12H18N4O3/c1-16(6-9(18)2-3-17)5-8-4-13-11-10(8)14-7-15-12(11)19/h4,7,9,13,17-18H,2-3,5-6H2,1H3,(H,14,15,19)
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US Patent
n/an/an/a 227n/an/an/an/an/a



Industrial Research Limited; Albert Einstein College of Medicine of Yeshiva University

US Patent


Assay Description
The inhibitor dissociation constants reported in Table 1 below are for phosphorolysis of inosine by PNP and were based on reaction rates measurements...


US Patent US8853224 (2014)


BindingDB Entry DOI: 10.7270/Q27H1H84
More data for this
Ligand-Target Pair
Purine Nucleoside Phosphorylase (PNP)


(Plasmodium falciparum)
BDBM50293071
PNG
(7-({[(2S)-2,3-Dihydroxypropyl]amino}methyl)-3,5-di...)
Show SMILES OC[C@@H](O)CNCc1c[nH]c2c1nc[nH]c2=O
Show InChI InChI=1S/C10H14N4O3/c15-4-7(16)3-11-1-6-2-12-9-8(6)13-5-14-10(9)17/h2,5,7,11-12,15-16H,1,3-4H2,(H,13,14,17)/t7-/m0/s1
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US Patent
n/an/an/a 260n/an/an/an/an/a



Industrial Research Limited; Albert Einstein College of Medicine of Yeshiva University

US Patent


Assay Description
The inhibitor dissociation constants reported in Table 1 below are for phosphorolysis of inosine by PNP and were based on reaction rates measurements...


US Patent US8853224 (2014)


BindingDB Entry DOI: 10.7270/Q27H1H84
More data for this
Ligand-Target Pair
Purine Nucleoside Phosphorylase (PNP)


(Plasmodium falciparum)
BDBM50293060
PNG
(7-{(1S)-1-[(1,3-Dihydroxypropan-2-yl)amino]-2-hydr...)
Show SMILES OCC(CO)N[C@H](CO)c1c[nH]c2c1nc[nH]c2=O
Show InChI InChI=1S/C11H16N4O4/c16-2-6(3-17)15-8(4-18)7-1-12-10-9(7)13-5-14-11(10)19/h1,5-6,8,12,15-18H,2-4H2,(H,13,14,19)/t8-/m1/s1
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US Patent
n/an/an/a 297n/an/an/an/an/a



Industrial Research Limited; Albert Einstein College of Medicine of Yeshiva University

US Patent


Assay Description
The inhibitor dissociation constants reported in Table 1 below are for phosphorolysis of inosine by PNP and were based on reaction rates measurements...


US Patent US8853224 (2014)


BindingDB Entry DOI: 10.7270/Q27H1H84
More data for this
Ligand-Target Pair
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