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Found 70 hits Enz. Inhib. hit(s) with Target = 'Purine Nucleoside Phosphorylase (PNP)'   
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 (PNP)


(Plasmodium falciparum)
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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0.5n/an/an/an/an/an/an/an/a



Industrial Research Limited

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum purine nucleoside phosphorylase assessed as slow onset inhibition constant by xanthine-oxidase coupled assay


J Med Chem 51: 5880-4 (2008)

More data for this
Ligand-Target Pair
Purine Nucleoside Phosphorylase (PNP)


(Plasmodium falciparum)
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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0.5 -52.6n/an/an/an/an/a7.722



Industrial Research Limited



Assay Description
PNP activity was monitored by absorbance change in a coupled assay. In the assay, inosine was converted to hypoxanthine, and then hypoxanthine was co...


J Med Chem 51: 948-56 (2008)

More data for this
Ligand-Target Pair
Purine Nucleoside Phosphorylase (PNP)


(Plasmodium falciparum)
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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0.860n/an/an/an/an/an/an/an/a



Instituto de Parasitología y Biomedicina López-Neyra

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum PNP expressed in Escherichia coli BL21(DE3) cells by spectrophotometry


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

More data for this
Ligand-Target Pair
Purine Nucleoside Phosphorylase (PNP)


(Plasmodium falciparum)
BDBM50247151
PNG
(7-(((3R,4S)-3-hydroxy-4-(methylthiomethyl)pyrrolid...)
Show SMILES CSC[C@H]1CN(Cc2c[nH]c3c2nc[nH]c3=O)C[C@@H]1O
Show InChI InChI=1S/C13H18N4O2S/c1-20-6-9-4-17(5-10(9)18)3-8-2-14-12-11(8)15-7-16-13(12)19/h2,7,9-10,14,18H,3-6H2,1H3,(H,15,16,19)/t9-,10+/m1/s1
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0.900n/an/an/an/an/an/an/an/a



Victoria University of Wellington

Curated by ChEMBL


Assay Description
Inhibition of recombinant Plasmodium falciparum PNP using inosine as substrate assessed as inhibition constant for slow onset inhibition of enzyme-in...


Citation and Details
More data for this
Ligand-Target Pair
Purine Nucleoside Phosphorylase (PNP)


(Plasmodium falciparum)
BDBM50330391
PNG
(5-(3-(benzyloxy)benzyl)-1-((2-hydroxyethoxy)methyl...)
Show SMILES OCCOCn1c(O)c(Cc2cccc(OCc3ccccc3)c2)c(=O)[nH]c1=O
Show InChI InChI=1S/C21H22N2O6/c24-9-10-28-14-23-20(26)18(19(25)22-21(23)27)12-16-7-4-8-17(11-16)29-13-15-5-2-1-3-6-15/h1-8,11,24,26H,9-10,12-14H2,(H,22,25,27)
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1.10n/an/an/an/an/an/an/an/a



Instituto de Parasitología y Biomedicina López-Neyra

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum PNP expressed in Escherichia coli BL21(DE3) cells by spectrophotometry


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

More data for this
Ligand-Target Pair
Purine Nucleoside Phosphorylase (PNP)


(Plasmodium falciparum)
BDBM50252865
PNG
((+/-)-cis-1-((9-Deazahypoxanthin-9-yl)methyl)-4-fl...)
Show SMILES OC[C@@]1(F)CN(Cc2c[nH]c3c2nc[nH]c3=O)C[C@@H]1O
Show InChI InChI=1S/C12H15FN4O3/c13-12(5-18)4-17(3-8(12)19)2-7-1-14-10-9(7)15-6-16-11(10)20/h1,6,8,14,18-19H,2-5H2,(H,15,16,20)/t8-,12-/m0/s1
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2.63n/an/an/an/an/an/an/an/a



Industrial Research Limited

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum purine nucleoside phosphorylase by xanthine-oxidase coupled assay


J Med Chem 51: 5880-4 (2008)

More data for this
Ligand-Target Pair
Purine Nucleoside Phosphorylase (PNP)


(Plasmodium falciparum)
BDBM50330390
PNG
(5'-methylthio-immucillin-H | CHEMBL1275659)
Show SMILES CS[C@H]1N[C@H]([C@H](O)[C@@H]1O)c1cc2nc[nH]c(=O)c2[nH]1
Show InChI InChI=1S/C11H14N4O3S/c1-19-11-9(17)8(16)6(15-11)5-2-4-7(14-5)10(18)13-3-12-4/h2-3,6,8-9,11,14-17H,1H3,(H,12,13,18)/t6-,8-,9-,11+/m0/s1
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2.70n/an/an/an/an/an/an/an/a



Instituto de Parasitología y Biomedicina López-Neyra

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum PNP expressed in Escherichia coli BL21(DE3) cells by spectrophotometry


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

More data for this
Ligand-Target Pair
Purine Nucleoside Phosphorylase (PNP)


(Plasmodium falciparum)
BDBM50252865
PNG
((+/-)-cis-1-((9-Deazahypoxanthin-9-yl)methyl)-4-fl...)
Show SMILES OC[C@@]1(F)CN(Cc2c[nH]c3c2nc[nH]c3=O)C[C@@H]1O
Show InChI InChI=1S/C12H15FN4O3/c13-12(5-18)4-17(3-8(12)19)2-7-1-14-10-9(7)15-6-16-11(10)20/h1,6,8,14,18-19H,2-5H2,(H,15,16,20)/t8-,12-/m0/s1
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3.60n/an/an/an/an/an/an/an/a



Industrial Research Limited

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum purine nucleoside phosphorylase by xanthine-oxidase coupled assay


J Med Chem 51: 5880-4 (2008)

More data for this
Ligand-Target Pair
Purine Nucleoside Phosphorylase (PNP)


(Plasmodium falciparum)
BDBM50247151
PNG
(7-(((3R,4S)-3-hydroxy-4-(methylthiomethyl)pyrrolid...)
Show SMILES CSC[C@H]1CN(Cc2c[nH]c3c2nc[nH]c3=O)C[C@@H]1O
Show InChI InChI=1S/C13H18N4O2S/c1-20-6-9-4-17(5-10(9)18)3-8-2-14-12-11(8)15-7-16-13(12)19/h2,7,9-10,14,18H,3-6H2,1H3,(H,15,16,19)/t9-,10+/m1/s1
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11n/an/an/an/an/an/an/an/a



Victoria University of Wellington

Curated by ChEMBL


Assay Description
Inhibition of recombinant Plasmodium falciparum PNP using inosine as substrate by xanthine oxidase coupling enzyme assay


Citation and Details
More data for this
Ligand-Target Pair
Purine Nucleoside Phosphorylase (PNP)


(Plasmodium falciparum)
BDBM50252865
PNG
((+/-)-cis-1-((9-Deazahypoxanthin-9-yl)methyl)-4-fl...)
Show SMILES OC[C@@]1(F)CN(Cc2c[nH]c3c2nc[nH]c3=O)C[C@@H]1O
Show InChI InChI=1S/C12H15FN4O3/c13-12(5-18)4-17(3-8(12)19)2-7-1-14-10-9(7)15-6-16-11(10)20/h1,6,8,14,18-19H,2-5H2,(H,15,16,20)/t8-,12-/m0/s1
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19n/an/an/an/an/an/an/an/a



Industrial Research Limited

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum purine nucleoside phosphorylase assessed as slow onset inhibition constant by xanthine-oxidase coupled assay


J Med Chem 51: 5880-4 (2008)

More data for this
Ligand-Target Pair
Purine Nucleoside Phosphorylase (PNP)


(Plasmodium falciparum)
BDBM50252865
PNG
((+/-)-cis-1-((9-Deazahypoxanthin-9-yl)methyl)-4-fl...)
Show SMILES OC[C@@]1(F)CN(Cc2c[nH]c3c2nc[nH]c3=O)C[C@@H]1O
Show InChI InChI=1S/C12H15FN4O3/c13-12(5-18)4-17(3-8(12)19)2-7-1-14-10-9(7)15-6-16-11(10)20/h1,6,8,14,18-19H,2-5H2,(H,15,16,20)/t8-,12-/m0/s1
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23.3n/an/an/an/an/an/an/an/a



Industrial Research Limited

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum purine nucleoside phosphorylase assessed as slow onset inhibition constant by xanthine-oxidase coupled assay


J Med Chem 51: 5880-4 (2008)

More data for this
Ligand-Target Pair
Purine Nucleoside Phosphorylase (PNP)


(Plasmodium falciparum)
BDBM50247158
PNG
(7-(((3S,4S)-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+/m0/s1
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80n/an/an/an/an/an/an/an/a



Industrial Research Limited

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum purine nucleoside phosphorylase by xanthine-oxidase coupled assay


J Med Chem 51: 5880-4 (2008)

More data for this
Ligand-Target Pair
Purine Nucleoside Phosphorylase (PNP)


(Plasmodium falciparum)
BDBM50116358
PNG
(CHEMBL3604359)
Show SMILES CSC[C@@H]1CN(Cc2c[nH]c3c(O)ncnc23)C[C@H]1O
Show InChI InChI=1/C13H18N4O2S/c1-20-6-9-4-17(5-10(9)18)3-8-2-14-12-11(8)15-7-16-13(12)19/h2,7,9-10,14,18H,3-6H2,1H3,(H,15,16,19)/t9-,10+/s2
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93n/an/an/an/an/an/an/an/a



Victoria University of Wellington

Curated by ChEMBL


Assay Description
Inhibition of recombinant Plasmodium falciparum PNP using inosine as substrate assessed as inhibition constant for slow onset inhibition of enzyme-in...


Citation and Details
More data for this
Ligand-Target Pair
Purine Nucleoside Phosphorylase (PNP)


(Plasmodium falciparum)
BDBM22108
PNG
(7-{[2-(hydroxymethyl)azetidin-1-yl]methyl}-3H,4H,5...)
Show SMILES OCC1CCN1Cc1c[nH]c2c1nc[nH]c2=O
Show InChI InChI=1S/C11H14N4O2/c16-5-8-1-2-15(8)4-7-3-12-10-9(7)13-6-14-11(10)17/h3,6,8,12,16H,1-2,4-5H2,(H,13,14,17)
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191 -38.0n/an/an/an/an/a7.722



Industrial Research Limited



Assay Description
PNP activity was monitored by absorbance change in a coupled assay. In the assay, inosine was converted to hypoxanthine, and then hypoxanthine was co...


J Med Chem 51: 948-56 (2008)

More data for this
Ligand-Target Pair
Purine Nucleoside Phosphorylase (PNP)


(Plasmodium falciparum)
BDBM50252909
PNG
((3R,4R)-1-((9-Deazahypoxanthin-9-yl)methyl)-4-fluo...)
Show SMILES OC[C@]1(F)CN(Cc2c[nH]c3c2nc[nH]c3=O)C[C@H]1O
Show InChI InChI=1S/C12H15FN4O3/c13-12(5-18)4-17(3-8(12)19)2-7-1-14-10-9(7)15-6-16-11(10)20/h1,6,8,14,18-19H,2-5H2,(H,15,16,20)/t8-,12-/m1/s1
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260n/an/an/an/an/an/an/an/a



Industrial Research Limited

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum purine nucleoside phosphorylase by xanthine-oxidase coupled assay


J Med Chem 51: 5880-4 (2008)

More data for this
Ligand-Target Pair
Purine Nucleoside Phosphorylase (PNP)


(Plasmodium falciparum)
BDBM50116358
PNG
(CHEMBL3604359)
Show SMILES CSC[C@@H]1CN(Cc2c[nH]c3c(O)ncnc23)C[C@H]1O
Show InChI InChI=1/C13H18N4O2S/c1-20-6-9-4-17(5-10(9)18)3-8-2-14-12-11(8)15-7-16-13(12)19/h2,7,9-10,14,18H,3-6H2,1H3,(H,15,16,19)/t9-,10+/s2
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298n/an/an/an/an/an/an/an/a



Victoria University of Wellington

Curated by ChEMBL


Assay Description
Inhibition of recombinant Plasmodium falciparum PNP using inosine as substrate by xanthine oxidase coupling enzyme assay


Citation and Details
More data for this
Ligand-Target Pair
Purine Nucleoside Phosphorylase (PNP)


(Plasmodium falciparum)
BDBM22107
PNG
(7-{[(2R,4R)-2,4-bis(hydroxymethyl)azetidin-1-yl]me...)
Show SMILES OC[C@H]1C[C@H](CO)N1Cc1c[nH]c2c1nc[nH]c2=O
Show InChI InChI=1S/C12H16N4O3/c17-4-8-1-9(5-18)16(8)3-7-2-13-11-10(7)14-6-15-12(11)19/h2,6,8-9,13,17-18H,1,3-5H2,(H,14,15,19)/t8-,9-/m1/s1
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580 -35.2n/an/an/an/an/a7.722



Industrial Research Limited



Assay Description
PNP activity was monitored by absorbance change in a coupled assay. In the assay, inosine was converted to hypoxanthine, and then hypoxanthine was co...


J Med Chem 51: 948-56 (2008)

More data for this
Ligand-Target Pair
Purine Nucleoside Phosphorylase (PNP)


(Plasmodium falciparum)
BDBM22106
PNG
(7-{[(2R,4S)-2,4-bis(hydroxymethyl)azetidin-1-yl]me...)
Show SMILES OC[C@H]1C[C@@H](CO)N1Cc1c[nH]c2c1nc[nH]c2=O
Show InChI InChI=1S/C12H16N4O3/c17-4-8-1-9(5-18)16(8)3-7-2-13-11-10(7)14-6-15-12(11)19/h2,6,8-9,13,17-18H,1,3-5H2,(H,14,15,19)/t8-,9+
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1.29E+3 -33.3n/an/an/an/an/a7.722



Industrial Research Limited



Assay Description
PNP activity was monitored by absorbance change in a coupled assay. In the assay, inosine was converted to hypoxanthine, and then hypoxanthine was co...


J Med Chem 51: 948-56 (2008)

More data for this
Ligand-Target Pair
Purine Nucleoside Phosphorylase (PNP)


(Plasmodium falciparum)
BDBM50247158
PNG
(7-(((3S,4S)-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+/m0/s1
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1.70E+3n/an/an/an/an/an/an/an/a



Industrial Research Limited

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum purine nucleoside phosphorylase assessed as slow onset inhibition constant by xanthine-oxidase coupled assay


J Med Chem 51: 5880-4 (2008)

More data for this
Ligand-Target Pair
Purine Nucleoside Phosphorylase (PNP)


(Plasmodium falciparum)
BDBM50252909
PNG
((3R,4R)-1-((9-Deazahypoxanthin-9-yl)methyl)-4-fluo...)
Show SMILES OC[C@]1(F)CN(Cc2c[nH]c3c2nc[nH]c3=O)C[C@H]1O
Show InChI InChI=1S/C12H15FN4O3/c13-12(5-18)4-17(3-8(12)19)2-7-1-14-10-9(7)15-6-16-11(10)20/h1,6,8,14,18-19H,2-5H2,(H,15,16,20)/t8-,12-/m1/s1
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2.07E+3n/an/an/an/an/an/an/an/a



Industrial Research Limited

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum purine nucleoside phosphorylase assessed as slow onset inhibition constant by xanthine-oxidase coupled assay


J Med Chem 51: 5880-4 (2008)

More data for this
Ligand-Target Pair
Purine Nucleoside Phosphorylase (PNP)


(Plasmodium falciparum)
BDBM50330388
PNG
(3-((2-Pyrrolidine-1-yl)-ethyl)uracil | CHEMBL12757...)
Show SMILES O=c1cc[nH]c(=O)n1CCN1CCCC1
Show InChI InChI=1S/C10H15N3O2/c14-9-3-4-11-10(15)13(9)8-7-12-5-1-2-6-12/h3-4H,1-2,5-8H2,(H,11,15)
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6.00E+3n/an/an/an/an/an/an/an/a



Instituto de Parasitología y Biomedicina López-Neyra

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum PNP expressed in Escherichia coli BL21(DE3) cells by spectrophotometry


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

More data for this
Ligand-Target Pair
Purine Nucleoside Phosphorylase (PNP)


(Plasmodium falciparum)
BDBM22103
PNG
(7-{[3,3-bis(hydroxymethyl)azetidin-1-yl]methyl}-3H...)
Show SMILES OCC1(CO)CN(Cc2c[nH]c3c2nc[nH]c3=O)C1
Show InChI InChI=1S/C12H16N4O3/c17-5-12(6-18)3-16(4-12)2-8-1-13-10-9(8)14-7-15-11(10)19/h1,7,13,17-18H,2-6H2,(H,14,15,19)
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>1.00E+4>-28.3n/an/an/an/an/a7.722



Industrial Research Limited



Assay Description
PNP activity was monitored by absorbance change in a coupled assay. In the assay, inosine was converted to hypoxanthine, and then hypoxanthine was co...


J Med Chem 51: 948-56 (2008)

More data for this
Ligand-Target Pair
Purine Nucleoside Phosphorylase (PNP)


(Plasmodium falciparum)
BDBM22105
PNG
(7-{[3-(hydroxymethyl)azetidin-1-yl]methyl}-3H,4H,5...)
Show SMILES OCC1CN(Cc2c[nH]c3c2nc[nH]c3=O)C1
Show InChI InChI=1S/C11H14N4O2/c16-5-7-2-15(3-7)4-8-1-12-10-9(8)13-6-14-11(10)17/h1,6-7,12,16H,2-5H2,(H,13,14,17)
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>1.00E+4>-28.3n/an/an/an/an/a7.722



Industrial Research Limited



Assay Description
PNP activity was monitored by absorbance change in a coupled assay. In the assay, inosine was converted to hypoxanthine, and then hypoxanthine was co...


J Med Chem 51: 948-56 (2008)

More data for this
Ligand-Target Pair
Purine Nucleoside Phosphorylase (PNP)


(Plasmodium falciparum)
BDBM50330394
PNG
(1-((2-Pyrrolidine-1-yl)-ethyl)uracil | CHEMBL12756...)
Show SMILES O=c1ccn(CCN2CCCC2)c(=O)[nH]1
Show InChI InChI=1S/C10H15N3O2/c14-9-3-6-13(10(15)11-9)8-7-12-4-1-2-5-12/h3,6H,1-2,4-5,7-8H2,(H,11,14,15)
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2.70E+4n/an/an/an/an/an/an/an/a



Instituto de Parasitología y Biomedicina López-Neyra

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum PNP expressed in Escherichia coli BL21(DE3) cells by spectrophotometry


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

More data for this
Ligand-Target Pair
Purine Nucleoside Phosphorylase (PNP)


(Plasmodium falciparum)
BDBM50330395
PNG
(1-((3-Pyrrolidine-1-yl)-propyl)uracil | CHEMBL1275...)
Show SMILES O=c1ccn(CCCN2CCCC2)c(=O)[nH]1
Show InChI InChI=1S/C11H17N3O2/c15-10-4-9-14(11(16)12-10)8-3-7-13-5-1-2-6-13/h4,9H,1-3,5-8H2,(H,12,15,16)
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5.90E+4n/an/an/an/an/an/an/an/a



Instituto de Parasitología y Biomedicina López-Neyra

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum PNP expressed in Escherichia coli BL21(DE3) cells by spectrophotometry


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

More data for this
Ligand-Target Pair
Purine Nucleoside Phosphorylase (PNP)


(Plasmodium falciparum)
BDBM50330389
PNG
(3-((2-(l-Prolinol)-1-yl)-ethyl)uracil | CHEMBL1275...)
Show SMILES OC[C@@H]1CCCN1CCn1c(=O)cc[nH]c1=O
Show InChI InChI=1S/C11H17N3O3/c15-8-9-2-1-5-13(9)6-7-14-10(16)3-4-12-11(14)17/h3-4,9,15H,1-2,5-8H2,(H,12,17)/t9-/m0/s1
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7.50E+4n/an/an/an/an/an/an/an/a



Instituto de Parasitología y Biomedicina López-Neyra

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum PNP expressed in Escherichia coli BL21(DE3) cells by spectrophotometry


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

More data for this
Ligand-Target Pair
Purine Nucleoside Phosphorylase (PNP)


(Plasmodium falciparum)
BDBM50330397
PNG
(1-((4-Pyrrolidine-1-yl)-butyl)uracil | CHEMBL12757...)
Show SMILES O=c1ccn(CCCCN2CCCC2)c(=O)[nH]1
Show InChI InChI=1S/C12H19N3O2/c16-11-5-10-15(12(17)13-11)9-4-3-8-14-6-1-2-7-14/h5,10H,1-4,6-9H2,(H,13,16,17)
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1.05E+5n/an/an/an/an/an/an/an/a



Instituto de Parasitología y Biomedicina López-Neyra

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum PNP expressed in Escherichia coli BL21(DE3) cells by spectrophotometry


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

More data for this
Ligand-Target Pair
Purine Nucleoside Phosphorylase (PNP)


(Plasmodium falciparum)
BDBM50330398
PNG
(1-((4-(l-Prolinol)-1-yl)-butyl)uracil | CHEMBL1275...)
Show SMILES OC[C@@H]1CCCN1CCCCn1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C13H21N3O3/c17-10-11-4-3-8-15(11)6-1-2-7-16-9-5-12(18)14-13(16)19/h5,9,11,17H,1-4,6-8,10H2,(H,14,18,19)/t11-/m0/s1
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1.13E+5n/an/an/an/an/an/an/an/a



Instituto de Parasitología y Biomedicina López-Neyra

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum PNP expressed in Escherichia coli BL21(DE3) cells by spectrophotometry


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

More data for this
Ligand-Target Pair
Purine Nucleoside Phosphorylase (PNP)


(Plasmodium falciparum)
BDBM50330396
PNG
(1-((3-(l-Prolinol)-1-yl)-propyl)uracil | CHEMBL127...)
Show SMILES OC[C@@H]1CCCN1CCCn1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C12H19N3O3/c16-9-10-3-1-5-14(10)6-2-7-15-8-4-11(17)13-12(15)18/h4,8,10,16H,1-3,5-7,9H2,(H,13,17,18)/t10-/m0/s1
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1.36E+5n/an/an/an/an/an/an/an/a



Instituto de Parasitología y Biomedicina López-Neyra

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum PNP expressed in Escherichia coli BL21(DE3) cells by spectrophotometry


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

More data for this
Ligand-Target Pair
Purine Nucleoside Phosphorylase (PNP)


(Plasmodium falciparum)
BDBM50330388
PNG
(3-((2-Pyrrolidine-1-yl)-ethyl)uracil | CHEMBL12757...)
Show SMILES O=c1cc[nH]c(=O)n1CCN1CCCC1
Show InChI InChI=1S/C10H15N3O2/c14-9-3-4-11-10(15)13(9)8-7-12-5-1-2-6-12/h3-4H,1-2,5-8H2,(H,11,15)
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n/an/a 4.20E+4n/an/an/an/an/an/a



Instituto de Parasitología y Biomedicina López-Neyra

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum PNP expressed in Escherichia coli BL21(DE3) cells by spectrophotometry


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

More data for this
Ligand-Target Pair
Purine Nucleoside Phosphorylase (PNP)


(Plasmodium falciparum)
BDBM50330394
PNG
(1-((2-Pyrrolidine-1-yl)-ethyl)uracil | CHEMBL12756...)
Show SMILES O=c1ccn(CCN2CCCC2)c(=O)[nH]1
Show InChI InChI=1S/C10H15N3O2/c14-9-3-6-13(10(15)11-9)8-7-12-4-1-2-5-12/h3,6H,1-2,4-5,7-8H2,(H,11,14,15)
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n/an/a 1.41E+5n/an/an/an/an/an/a



Instituto de Parasitología y Biomedicina López-Neyra

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum PNP expressed in Escherichia coli BL21(DE3) cells by spectrophotometry


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

More data for this
Ligand-Target Pair
Purine Nucleoside Phosphorylase (PNP)


(Plasmodium falciparum)
BDBM50330395
PNG
(1-((3-Pyrrolidine-1-yl)-propyl)uracil | CHEMBL1275...)
Show SMILES O=c1ccn(CCCN2CCCC2)c(=O)[nH]1
Show InChI InChI=1S/C11H17N3O2/c15-10-4-9-14(11(16)12-10)8-3-7-13-5-1-2-6-13/h4,9H,1-3,5-8H2,(H,12,15,16)
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n/an/a 2.30E+5n/an/an/an/an/an/a



Instituto de Parasitología y Biomedicina López-Neyra

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum PNP expressed in Escherichia coli BL21(DE3) cells by spectrophotometry


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

More data for this
Ligand-Target Pair
Purine Nucleoside Phosphorylase (PNP)


(Plasmodium falciparum)
BDBM50330389
PNG
(3-((2-(l-Prolinol)-1-yl)-ethyl)uracil | CHEMBL1275...)
Show SMILES OC[C@@H]1CCCN1CCn1c(=O)cc[nH]c1=O
Show InChI InChI=1S/C11H17N3O3/c15-8-9-2-1-5-13(9)6-7-14-10(16)3-4-12-11(14)17/h3-4,9,15H,1-2,5-8H2,(H,12,17)/t9-/m0/s1
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n/an/a 3.66E+5n/an/an/an/an/an/a



Instituto de Parasitología y Biomedicina López-Neyra

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum PNP expressed in Escherichia coli BL21(DE3) cells by spectrophotometry


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

More data for this
Ligand-Target Pair
Purine Nucleoside Phosphorylase (PNP)


(Plasmodium falciparum)
BDBM50330397
PNG
(1-((4-Pyrrolidine-1-yl)-butyl)uracil | CHEMBL12757...)
Show SMILES O=c1ccn(CCCCN2CCCC2)c(=O)[nH]1
Show InChI InChI=1S/C12H19N3O2/c16-11-5-10-15(12(17)13-11)9-4-3-8-14-6-1-2-7-14/h5,10H,1-4,6-9H2,(H,13,16,17)
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n/an/a 5.24E+5n/an/an/an/an/an/a



Instituto de Parasitología y Biomedicina López-Neyra

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum PNP expressed in Escherichia coli BL21(DE3) cells by spectrophotometry


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

More data for this
Ligand-Target Pair
Purine Nucleoside Phosphorylase (PNP)


(Plasmodium falciparum)
BDBM50330398
PNG
(1-((4-(l-Prolinol)-1-yl)-butyl)uracil | CHEMBL1275...)
Show SMILES OC[C@@H]1CCCN1CCCCn1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C13H21N3O3/c17-10-11-4-3-8-15(11)6-1-2-7-16-9-5-12(18)14-13(16)19/h5,9,11,17H,1-4,6-8,10H2,(H,14,18,19)/t11-/m0/s1
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n/an/a 5.92E+5n/an/an/an/an/an/a



Instituto de Parasitología y Biomedicina López-Neyra

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum PNP expressed in Escherichia coli BL21(DE3) cells by spectrophotometry


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

More data for this
Ligand-Target Pair
Purine Nucleoside Phosphorylase (PNP)


(Plasmodium falciparum)
BDBM50330396
PNG
(1-((3-(l-Prolinol)-1-yl)-propyl)uracil | CHEMBL127...)
Show SMILES OC[C@@H]1CCCN1CCCn1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C12H19N3O3/c16-9-10-3-1-5-14(10)6-2-7-15-8-4-11(17)13-12(15)18/h4,8,10,16H,1-3,5-7,9H2,(H,13,17,18)/t10-/m0/s1
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n/an/a 7.12E+5n/an/an/an/an/an/a



Instituto de Parasitología y Biomedicina López-Neyra

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum PNP expressed in Escherichia coli BL21(DE3) cells by spectrophotometry


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

More data for this
Ligand-Target Pair
Purine Nucleoside Phosphorylase (PNP)


(Plasmodium falciparum)
BDBM50078082
PNG
(5-(3-Benzyloxy-benzyl)-pyrimidine-2,4,6-trione | C...)
Show SMILES Oc1[nH]c(=O)[nH]c(=O)c1Cc1cccc(OCc2ccccc2)c1
Show InChI InChI=1S/C18H16N2O4/c21-16-15(17(22)20-18(23)19-16)10-13-7-4-8-14(9-13)24-11-12-5-2-1-3-6-12/h1-9H,10-11H2,(H3,19,20,21,22,23)
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n/an/a>1.00E+6n/an/an/an/an/an/a



Instituto de Parasitología y Biomedicina López-Neyra

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum PNP expressed in Escherichia coli BL21(DE3) cells by spectrophotometry


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

More data for this
Ligand-Target Pair
Purine Nucleoside Phosphorylase (PNP)


(Plasmodium falciparum)
BDBM50330391
PNG
(5-(3-(benzyloxy)benzyl)-1-((2-hydroxyethoxy)methyl...)
Show SMILES OCCOCn1c(O)c(Cc2cccc(OCc3ccccc3)c2)c(=O)[nH]c1=O
Show InChI InChI=1S/C21H22N2O6/c24-9-10-28-14-23-20(26)18(19(25)22-21(23)27)12-16-7-4-8-17(11-16)29-13-15-5-2-1-3-6-15/h1-8,11,24,26H,9-10,12-14H2,(H,22,25,27)
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n/an/a>1.00E+6n/an/an/an/an/an/a



Instituto de Parasitología y Biomedicina López-Neyra

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum PNP expressed in Escherichia coli BL21(DE3) cells by spectrophotometry


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

More data for this
Ligand-Target Pair
Purine Nucleoside Phosphorylase (PNP)


(Plasmodium falciparum)
BDBM50330393
PNG
(5-benzylpyrimidine-2,4,6(1H,3H,5H)-trione | CHEMBL...)
Show SMILES Oc1[nH]c(=O)[nH]c(=O)c1Cc1ccccc1
Show InChI InChI=1S/C11H10N2O3/c14-9-8(10(15)13-11(16)12-9)6-7-4-2-1-3-5-7/h1-5H,6H2,(H3,12,13,14,15,16)
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n/an/a>1.00E+6n/an/an/an/an/an/a



Instituto de Parasitología y Biomedicina López-Neyra

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum PNP expressed in Escherichia coli BL21(DE3) cells by spectrophotometry


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

More data for this
Ligand-Target Pair
Purine Nucleoside Phosphorylase (PNP)


(Plasmodium falciparum)
BDBM136304
PNG
(US8853224, 20.5)
Show SMILES OCC(O)C(O)CNCc1c[nH]c2c1nc[nH]c2=O
Show InChI InChI=1/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)
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n/an/an/a 3.20E+4n/an/an/an/a25



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...


Citation and Details
More data for this
Ligand-Target Pair
Purine Nucleoside Phosphorylase (PNP)


(Plasmodium falciparum)
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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n/an/an/a 770n/an/an/an/a25



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...


Citation and Details
More data for this
Ligand-Target Pair
Purine Nucleoside Phosphorylase (PNP)


(Plasmodium falciparum)
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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n/an/an/a 2.20E+3n/an/an/an/a25



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...


Citation and Details
More data for this
Ligand-Target Pair
Purine Nucleoside Phosphorylase (PNP)


(Plasmodium falciparum)
BDBM136305
PNG
(US8853224, 22)
Show SMILES OC[C@@H](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)/t8?,9-/m1/s1
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n/an/an/a 3.50E+3n/an/an/an/a25



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...


Citation and Details
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/a25



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...


Citation and Details
More data for this
Ligand-Target Pair
Purine Nucleoside Phosphorylase (PNP)


(Plasmodium falciparum)
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 1.30E+4n/an/an/an/a25



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...


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More data for this
Ligand-Target Pair
Purine Nucleoside Phosphorylase (PNP)


(Plasmodium falciparum)
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 1.00E+4n/an/an/an/a25



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...


Citation and Details
More data for this
Ligand-Target Pair
Purine Nucleoside Phosphorylase (PNP)


(Plasmodium falciparum)
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 3.50E+3n/an/an/an/a25



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...


Citation and Details
More data for this
Ligand-Target Pair
Purine Nucleoside Phosphorylase (PNP)


(Plasmodium falciparum)
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 6.30E+3n/an/an/an/a25



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...


Citation and Details
More data for this
Ligand-Target Pair
Purine Nucleoside Phosphorylase (PNP)


(Plasmodium falciparum)
BDBM136311
PNG
(US8853224, 23)
Show SMILES CSCC(CNCc1c[nH]c2c1nc[nH]c2=O)C(O)CO
Show InChI InChI=1/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)
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n/an/an/a 3.00E+3n/an/an/an/a25



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...


Citation and Details
More data for this
Ligand-Target Pair
Purine Nucleoside Phosphorylase (PNP)


(Plasmodium falciparum)
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 1.10E+3n/an/an/an/a25



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...


Citation and Details
More data for this
Ligand-Target Pair
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