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PubMed code 18800772

Compile data set for download or QSAR
Found 18 hits of Enzyme Inhibition Constant Data   
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 |r|
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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0.0110n/an/an/an/an/an/an/an/a



Industrial Research Limited

Curated by ChEMBL


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


J Med Chem 51: 5880-4 (2008)


Article DOI: 10.1021/jm800792b
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Purine nucleoside phosphorylase


(Homo sapiens (Human))
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 |r|
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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0.0320n/an/an/an/an/an/an/an/a



Industrial Research Limited

Curated by ChEMBL


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


J Med Chem 51: 5880-4 (2008)


Article DOI: 10.1021/jm800792b
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (Human))
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 |r|
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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0.0660n/an/an/an/an/an/an/an/a



Industrial Research Limited

Curated by ChEMBL


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


J Med Chem 51: 5880-4 (2008)


Article DOI: 10.1021/jm800792b
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (Human))
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 |r|
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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0.330n/an/an/an/an/an/an/an/a



Industrial Research Limited

Curated by ChEMBL


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


J Med Chem 51: 5880-4 (2008)


Article DOI: 10.1021/jm800792b
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (Human))
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 |r|
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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0.380n/an/an/an/an/an/an/an/a



Industrial Research Limited

Curated by ChEMBL


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


J Med Chem 51: 5880-4 (2008)


Article DOI: 10.1021/jm800792b
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 |r|
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)


Article DOI: 10.1021/jm800792b
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (Human))
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 |r|
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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0.5n/an/an/an/an/an/an/an/a



Industrial Research Limited

Curated by ChEMBL


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


J Med Chem 51: 5880-4 (2008)


Article DOI: 10.1021/jm800792b
More data for this
Ligand-Target Pair
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 |r|
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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1.10n/an/an/an/an/an/an/an/a



Industrial Research Limited

Curated by ChEMBL


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


J Med Chem 51: 5880-4 (2008)


Article DOI: 10.1021/jm800792b
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Purine nucleoside phosphorylase


(Homo sapiens (Human))
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 |r|
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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1.82n/an/an/an/an/an/an/an/a



Industrial Research Limited

Curated by ChEMBL


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


J Med Chem 51: 5880-4 (2008)


Article DOI: 10.1021/jm800792b
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 |r|
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)


Article DOI: 10.1021/jm800792b
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 |r|
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)


Article DOI: 10.1021/jm800792b
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (Human))
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 |r|
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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18n/an/an/an/an/an/an/an/a



Industrial Research Limited

Curated by ChEMBL


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


J Med Chem 51: 5880-4 (2008)


Article DOI: 10.1021/jm800792b
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 |r|
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)


Article DOI: 10.1021/jm800792b
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 |r|
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)


Article DOI: 10.1021/jm800792b
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 |r|
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)


Article DOI: 10.1021/jm800792b
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 |r|
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)


Article DOI: 10.1021/jm800792b
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 |r|
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)


Article DOI: 10.1021/jm800792b
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 |r|
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)


Article DOI: 10.1021/jm800792b
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%