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PubMed code 17004717

Compile data set for download or QSAR
Found 22 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))
BDBM50195589
PNG
(2-amino-1,5-dihydro-7-[[(2S,4R)-2-(hydroxymethyl)-...)
Show SMILES Nc1nc2c(CN3C[C@H](O)C[C@H]3CO)c[nH]c2c(=O)[nH]1
Show InChI InChI=1S/C12H17N5O3/c13-12-15-9-6(2-14-10(9)11(20)16-12)3-17-4-8(19)1-7(17)5-18/h2,7-8,14,18-19H,1,3-5H2,(H3,13,15,16,20)/t7-,8+/m0/s1
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PubMed
1n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of human PNP activity


J Med Chem 49: 6037-45 (2006)


Article DOI: 10.1021/jm060547+
BindingDB Entry DOI: 10.7270/Q2NV9K11
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 |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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1.80n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of human PNP activity


J Med Chem 49: 6037-45 (2006)


Article DOI: 10.1021/jm060547+
BindingDB Entry DOI: 10.7270/Q2NV9K11
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Purine nucleoside phosphorylase


(Homo sapiens (Human))
BDBM50195593
PNG
(2-amino-1,5-dihydro-7-[[(2S)-2-(hydroxymethyl)-1-p...)
Show SMILES Nc1nc2c(CN3CCC[C@H]3CO)c[nH]c2c(=O)[nH]1
Show InChI InChI=1S/C12H17N5O2/c13-12-15-9-7(4-14-10(9)11(19)16-12)5-17-3-1-2-8(17)6-18/h4,8,14,18H,1-3,5-6H2,(H3,13,15,16,19)/t8-/m0/s1
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2n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of human PNP activity


J Med Chem 49: 6037-45 (2006)


Article DOI: 10.1021/jm060547+
BindingDB Entry DOI: 10.7270/Q2NV9K11
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (Human))
BDBM50195597
PNG
(2-amino-1,5-dihydro-7-[[N,N-bis-[2-(hydroxy)ethyl]...)
Show SMILES Nc1nc2c(CN(CCO)CCO)c[nH]c2c(=O)[nH]1
Show InChI InChI=1S/C11H17N5O3/c12-11-14-8-7(5-13-9(8)10(19)15-11)6-16(1-3-17)2-4-18/h5,13,17-18H,1-4,6H2,(H3,12,14,15,19)
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2.5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of human PNP activity


J Med Chem 49: 6037-45 (2006)


Article DOI: 10.1021/jm060547+
BindingDB Entry DOI: 10.7270/Q2NV9K11
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (Human))
BDBM50195591
PNG
(2-amino-1,5-dihydro-7-[[[2-(hydroxy)ethyl]amino]me...)
Show SMILES Nc1nc2c(CNCCO)c[nH]c2c(=O)[nH]1
Show InChI InChI=1S/C9H13N5O2/c10-9-13-6-5(3-11-1-2-15)4-12-7(6)8(16)14-9/h4,11-12,15H,1-3H2,(H3,10,13,14,16)
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10.2n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of human PNP activity


J Med Chem 49: 6037-45 (2006)


Article DOI: 10.1021/jm060547+
BindingDB Entry DOI: 10.7270/Q2NV9K11
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (Human))
BDBM50195595
PNG
(2-amino-1,5-dihydro-7-[[[N-[2-(hydroxy)ethyl]-N-me...)
Show SMILES CN(CCO)Cc1c[nH]c2c1nc(N)[nH]c2=O
Show InChI InChI=1S/C10H15N5O2/c1-15(2-3-16)5-6-4-12-8-7(6)13-10(11)14-9(8)17/h4,12,16H,2-3,5H2,1H3,(H3,11,13,14,17)
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30.6n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of human PNP activity


J Med Chem 49: 6037-45 (2006)


Article DOI: 10.1021/jm060547+
BindingDB Entry DOI: 10.7270/Q2NV9K11
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (Human))
BDBM50195588
PNG
(2-amino-1,5-dihydro-7-[[N-[ethyl]-N-[2-(hydroxy)et...)
Show SMILES CCN(CCO)Cc1c[nH]c2c1nc(N)[nH]c2=O
Show InChI InChI=1S/C11H17N5O2/c1-2-16(3-4-17)6-7-5-13-9-8(7)14-11(12)15-10(9)18/h5,13,17H,2-4,6H2,1H3,(H3,12,14,15,18)
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112n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of human PNP activity


J Med Chem 49: 6037-45 (2006)


Article DOI: 10.1021/jm060547+
BindingDB Entry DOI: 10.7270/Q2NV9K11
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (Human))
BDBM50195594
PNG
(2-amino-1,5-dihydro-7-[[(2S)-2-(methoxymethyl)-1-p...)
Show SMILES COC[C@@H]1CCCN1Cc1c[nH]c2c1nc(N)[nH]c2=O
Show InChI InChI=1S/C13H19N5O2/c1-20-7-9-3-2-4-18(9)6-8-5-15-11-10(8)16-13(14)17-12(11)19/h5,9,15H,2-4,6-7H2,1H3,(H3,14,16,17,19)/t9-/m0/s1
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306n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of human PNP activity


J Med Chem 49: 6037-45 (2006)


Article DOI: 10.1021/jm060547+
BindingDB Entry DOI: 10.7270/Q2NV9K11
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (Human))
BDBM50195590
PNG
(2-amino-1,5-dihydro-7-[[(2S)-2-(aminomethyl)-1-pyr...)
Show SMILES NC[C@@H]1CCCN1Cc1c[nH]c2c1nc(N)[nH]c2=O
Show InChI InChI=1S/C12H18N6O/c13-4-8-2-1-3-18(8)6-7-5-15-10-9(7)16-12(14)17-11(10)19/h5,8,15H,1-4,6,13H2,(H3,14,16,17,19)/t8-/m0/s1
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306n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of human PNP activity


J Med Chem 49: 6037-45 (2006)


Article DOI: 10.1021/jm060547+
BindingDB Entry DOI: 10.7270/Q2NV9K11
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (Human))
BDBM50195596
PNG
(2-amino-1,5-dihydro-7-[[(2R)-2-(hydroxymethyl)-1-p...)
Show SMILES Nc1nc2c(CN3CCC[C@@H]3CO)c[nH]c2c(=O)[nH]1
Show InChI InChI=1S/C12H17N5O2/c13-12-15-9-7(4-14-10(9)11(19)16-12)5-17-3-1-2-8(17)6-18/h4,8,14,18H,1-3,5-6H2,(H3,13,15,16,19)/t8-/m1/s1
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316n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of human PNP activity


J Med Chem 49: 6037-45 (2006)


Article DOI: 10.1021/jm060547+
BindingDB Entry DOI: 10.7270/Q2NV9K11
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (Human))
BDBM50195592
PNG
(2-amino-1,5-dihydro-7-[[3-(hydroxymethyl)-1-piperi...)
Show SMILES Nc1nc2c(CN3CCCC(CO)C3)c[nH]c2c(=O)[nH]1
Show InChI InChI=1S/C13H19N5O2/c14-13-16-10-9(4-15-11(10)12(20)17-13)6-18-3-1-2-8(5-18)7-19/h4,8,15,19H,1-3,5-7H2,(H3,14,16,17,20)
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2.04E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of human PNP activity


J Med Chem 49: 6037-45 (2006)


Article DOI: 10.1021/jm060547+
BindingDB Entry DOI: 10.7270/Q2NV9K11
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (Human))
BDBM50195589
PNG
(2-amino-1,5-dihydro-7-[[(2S,4R)-2-(hydroxymethyl)-...)
Show SMILES Nc1nc2c(CN3C[C@H](O)C[C@H]3CO)c[nH]c2c(=O)[nH]1
Show InChI InChI=1S/C12H17N5O3/c13-12-15-9-6(2-14-10(9)11(20)16-12)3-17-4-8(19)1-7(17)5-18/h2,7-8,14,18-19H,1,3-5H2,(H3,13,15,16,20)/t7-,8+/m0/s1
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n/an/a 2n/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of human PNP activity


J Med Chem 49: 6037-45 (2006)


Article DOI: 10.1021/jm060547+
BindingDB Entry DOI: 10.7270/Q2NV9K11
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 |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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n/an/a 3.5n/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of human PNP activity


J Med Chem 49: 6037-45 (2006)


Article DOI: 10.1021/jm060547+
BindingDB Entry DOI: 10.7270/Q2NV9K11
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Purine nucleoside phosphorylase


(Homo sapiens (Human))
BDBM50195593
PNG
(2-amino-1,5-dihydro-7-[[(2S)-2-(hydroxymethyl)-1-p...)
Show SMILES Nc1nc2c(CN3CCC[C@H]3CO)c[nH]c2c(=O)[nH]1
Show InChI InChI=1S/C12H17N5O2/c13-12-15-9-7(4-14-10(9)11(19)16-12)5-17-3-1-2-8(17)6-18/h4,8,14,18H,1-3,5-6H2,(H3,13,15,16,19)/t8-/m0/s1
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n/an/a 4n/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of human PNP activity


J Med Chem 49: 6037-45 (2006)


Article DOI: 10.1021/jm060547+
BindingDB Entry DOI: 10.7270/Q2NV9K11
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (Human))
BDBM50195597
PNG
(2-amino-1,5-dihydro-7-[[N,N-bis-[2-(hydroxy)ethyl]...)
Show SMILES Nc1nc2c(CN(CCO)CCO)c[nH]c2c(=O)[nH]1
Show InChI InChI=1S/C11H17N5O3/c12-11-14-8-7(5-13-9(8)10(19)15-11)6-16(1-3-17)2-4-18/h5,13,17-18H,1-4,6H2,(H3,12,14,15,19)
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n/an/a 5n/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of human PNP activity


J Med Chem 49: 6037-45 (2006)


Article DOI: 10.1021/jm060547+
BindingDB Entry DOI: 10.7270/Q2NV9K11
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (Human))
BDBM50195591
PNG
(2-amino-1,5-dihydro-7-[[[2-(hydroxy)ethyl]amino]me...)
Show SMILES Nc1nc2c(CNCCO)c[nH]c2c(=O)[nH]1
Show InChI InChI=1S/C9H13N5O2/c10-9-13-6-5(3-11-1-2-15)4-12-7(6)8(16)14-9/h4,11-12,15H,1-3H2,(H3,10,13,14,16)
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n/an/a 20n/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of human PNP activity


J Med Chem 49: 6037-45 (2006)


Article DOI: 10.1021/jm060547+
BindingDB Entry DOI: 10.7270/Q2NV9K11
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (Human))
BDBM50195595
PNG
(2-amino-1,5-dihydro-7-[[[N-[2-(hydroxy)ethyl]-N-me...)
Show SMILES CN(CCO)Cc1c[nH]c2c1nc(N)[nH]c2=O
Show InChI InChI=1S/C10H15N5O2/c1-15(2-3-16)5-6-4-12-8-7(6)13-10(11)14-9(8)17/h4,12,16H,2-3,5H2,1H3,(H3,11,13,14,17)
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n/an/a 60n/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of human PNP activity


J Med Chem 49: 6037-45 (2006)


Article DOI: 10.1021/jm060547+
BindingDB Entry DOI: 10.7270/Q2NV9K11
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (Human))
BDBM50195588
PNG
(2-amino-1,5-dihydro-7-[[N-[ethyl]-N-[2-(hydroxy)et...)
Show SMILES CCN(CCO)Cc1c[nH]c2c1nc(N)[nH]c2=O
Show InChI InChI=1S/C11H17N5O2/c1-2-16(3-4-17)6-7-5-13-9-8(7)14-11(12)15-10(9)18/h5,13,17H,2-4,6H2,1H3,(H3,12,14,15,18)
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n/an/a 220n/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of human PNP activity


J Med Chem 49: 6037-45 (2006)


Article DOI: 10.1021/jm060547+
BindingDB Entry DOI: 10.7270/Q2NV9K11
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (Human))
BDBM50195594
PNG
(2-amino-1,5-dihydro-7-[[(2S)-2-(methoxymethyl)-1-p...)
Show SMILES COC[C@@H]1CCCN1Cc1c[nH]c2c1nc(N)[nH]c2=O
Show InChI InChI=1S/C13H19N5O2/c1-20-7-9-3-2-4-18(9)6-8-5-15-11-10(8)16-13(14)17-12(11)19/h5,9,15H,2-4,6-7H2,1H3,(H3,14,16,17,19)/t9-/m0/s1
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n/an/a 600n/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of human PNP activity


J Med Chem 49: 6037-45 (2006)


Article DOI: 10.1021/jm060547+
BindingDB Entry DOI: 10.7270/Q2NV9K11
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (Human))
BDBM50195590
PNG
(2-amino-1,5-dihydro-7-[[(2S)-2-(aminomethyl)-1-pyr...)
Show SMILES NC[C@@H]1CCCN1Cc1c[nH]c2c1nc(N)[nH]c2=O
Show InChI InChI=1S/C12H18N6O/c13-4-8-2-1-3-18(8)6-7-5-15-10-9(7)16-12(14)17-11(10)19/h5,8,15H,1-4,6,13H2,(H3,14,16,17,19)/t8-/m0/s1
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n/an/a 600n/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of human PNP activity


J Med Chem 49: 6037-45 (2006)


Article DOI: 10.1021/jm060547+
BindingDB Entry DOI: 10.7270/Q2NV9K11
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (Human))
BDBM50195596
PNG
(2-amino-1,5-dihydro-7-[[(2R)-2-(hydroxymethyl)-1-p...)
Show SMILES Nc1nc2c(CN3CCC[C@@H]3CO)c[nH]c2c(=O)[nH]1
Show InChI InChI=1S/C12H17N5O2/c13-12-15-9-7(4-14-10(9)11(19)16-12)5-17-3-1-2-8(17)6-18/h4,8,14,18H,1-3,5-6H2,(H3,13,15,16,19)/t8-/m1/s1
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PubMed
n/an/a 620n/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of human PNP activity


J Med Chem 49: 6037-45 (2006)


Article DOI: 10.1021/jm060547+
BindingDB Entry DOI: 10.7270/Q2NV9K11
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (Human))
BDBM50195592
PNG
(2-amino-1,5-dihydro-7-[[3-(hydroxymethyl)-1-piperi...)
Show SMILES Nc1nc2c(CN3CCCC(CO)C3)c[nH]c2c(=O)[nH]1
Show InChI InChI=1S/C13H19N5O2/c14-13-16-10-9(4-15-11(10)12(20)17-13)6-18-3-1-2-8(5-18)7-19/h4,8,15,19H,1-3,5-7H2,(H3,14,16,17,20)
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UniChem

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Article
PubMed
n/an/a 4.00E+3n/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of human PNP activity


J Med Chem 49: 6037-45 (2006)


Article DOI: 10.1021/jm060547+
BindingDB Entry DOI: 10.7270/Q2NV9K11
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%