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Compile Data Set for Download or QSAR

Found 115 hits of ic50 for UniProtKB: P55859   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Purine nucleoside phosphorylase


(Bos taurus (bovine))
BDBM50046239
PNG
(2-Amino-9-thiophen-3-ylmethyl-1,9-dihydro-purin-6-...)
Show SMILES Nc1nc2C(Cc3ccsc3)CNc2c(=O)[nH]1
Show InChI InChI=1S/C11H12N4OS/c12-11-14-8-7(3-6-1-2-17-5-6)4-13-9(8)10(16)15-11/h1-2,5,7,13H,3-4H2,(H3,12,14,15,16)
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n/an/a 0.0670n/an/an/an/an/an/a



BioCryst Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Purine nucleoside phosphorylase was evaluated against the enzyme from calf spleen in 1 mM phosphate


J Med Chem 36: 55-69 (1993)


BindingDB Entry DOI: 10.7270/Q2B27TCX
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Bos taurus (bovine))
BDBM50046215
PNG
(2,8-Diamino-9-thiophen-2-ylmethyl-1,9-dihydro-puri...)
Show SMILES NC1Nc2c(nc(N)[nH]c2=O)N1Cc1cccs1
Show InChI InChI=1S/C10H12N6OS/c11-9-14-7-6(8(17)15-9)13-10(12)16(7)4-5-2-1-3-18-5/h1-3,10,13H,4,12H2,(H3,11,14,15,17)
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n/an/a 0.160n/an/an/an/an/an/a



BioCryst Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of purine nucleoside phosphorylase against the enzyme from calf spleen in 1 mM phosphate


J Med Chem 36: 55-69 (1993)


BindingDB Entry DOI: 10.7270/Q2B27TCX
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Bos taurus (bovine))
BDBM50046229
PNG
(2-Amino-6-pyridin-3-yl-3,7-dihydro-pyrrolo[3,2-d]p...)
Show SMILES Nc1nc2cc([nH]c2c(=O)[nH]1)-c1cccnc1
Show InChI InChI=1S/C11H9N5O/c12-11-15-8-4-7(6-2-1-3-13-5-6)14-9(8)10(17)16-11/h1-5,14H,(H3,12,15,16,17)
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n/an/a 0.160n/an/an/an/an/an/a



BioCryst Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Purine nucleoside phosphorylase was evaluated against the enzyme from calf spleen in 50 mM phosphate


J Med Chem 36: 55-69 (1993)


BindingDB Entry DOI: 10.7270/Q2B27TCX
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Bos taurus (bovine))
BDBM50046238
PNG
(2,8-Diamino-9-thiophen-3-ylmethyl-1,9-dihydro-puri...)
Show SMILES NC1Nc2c(nc(N)[nH]c2=O)C1Cc1ccsc1
Show InChI InChI=1S/C11H13N5OS/c12-9-6(3-5-1-2-18-4-5)7-8(14-9)10(17)16-11(13)15-7/h1-2,4,6,9,14H,3,12H2,(H3,13,15,16,17)
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n/an/a 0.630n/an/an/an/an/an/a



BioCryst Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of purine nucleoside phosphorylase against the enzyme from calf spleen in 1 mM phosphate


J Med Chem 36: 55-69 (1993)


BindingDB Entry DOI: 10.7270/Q2B27TCX
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


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



Tokyo University of Pharmacy and Life Sciences

Curated by ChEMBL


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


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


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


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



Tokyo University of Pharmacy and Life Sciences

Curated by ChEMBL


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


Bioorg Med Chem 18: 2275-84 (2010)


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


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



Tokyo University of Pharmacy and Life Sciences

Curated by ChEMBL


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


Bioorg Med Chem 18: 2275-84 (2010)


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


(Bos taurus (bovine))
BDBM50048044
PNG
(2-Amino-7-(tetrahydro-thiophen-2-ylmethyl)-3,5-dih...)
Show SMILES Nc1nc2c(CC3CCCS3)c[nH]c2c(=O)[nH]1
Show InChI InChI=1S/C11H14N4OS/c12-11-14-8-6(4-7-2-1-3-17-7)5-13-9(8)10(16)15-11/h5,7,13H,1-4H2,(H3,12,14,15,16)
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n/an/a 11n/an/an/an/an/an/a



BioCryst Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibition of purine nucleoside phosphorylase from calf spleen in 1 mM phosphate


J Med Chem 36: 1847-54 (1993)


BindingDB Entry DOI: 10.7270/Q2WQ02WD
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Bos taurus (bovine))
BDBM50046226
PNG
(2-Amino-9-thiophen-2-ylmethyl-1,9-dihydro-purin-6-...)
Show SMILES Nc1nc2N(Cc3cccs3)CNc2c(=O)[nH]1
Show InChI InChI=1S/C10H11N5OS/c11-10-13-8-7(9(16)14-10)12-5-15(8)4-6-2-1-3-17-6/h1-3,12H,4-5H2,(H3,11,13,14,16)
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n/an/a 11n/an/an/an/an/an/a



BioCryst Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of purine nucleoside phosphorylase against the enzyme from calf spleen in 1 mM phosphate


J Med Chem 36: 55-69 (1993)


BindingDB Entry DOI: 10.7270/Q2B27TCX
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Bos taurus (bovine))
BDBM50048053
PNG
(2-Amino-7-(3-trifluoromethyl-cyclohexylmethyl)-3,5...)
Show SMILES Nc1nc2c(CC3CCCC(C3)C(F)(F)F)c[nH]c2c(=O)[nH]1
Show InChI InChI=1S/C14H17F3N4O/c15-14(16,17)9-3-1-2-7(5-9)4-8-6-19-11-10(8)20-13(18)21-12(11)22/h6-7,9,19H,1-5H2,(H3,18,20,21,22)
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n/an/a 14.8n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibitory activity against calf spleen purine nucleoside phosphorylase (PNP) using inosine as substrate at a concentration of 10 uM.


J Med Chem 42: 2422-31 (1999)


Article DOI: 10.1021/jm990037y
BindingDB Entry DOI: 10.7270/Q2CR5SKN
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Bos taurus (bovine))
BDBM50078454
PNG
(2-Amino-7-pyridin-2-ylmethyl-3,5-dihydro-pyrrolo[3...)
Show SMILES Nc1nc2c(Cc3ccccn3)c[nH]c2c(=O)[nH]1
Show InChI InChI=1S/C12H11N5O/c13-12-16-9-7(5-8-3-1-2-4-14-8)6-15-10(9)11(18)17-12/h1-4,6,15H,5H2,(H3,13,16,17,18)
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n/an/a 15.3n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibitory activity against calf spleen purine nucleoside phosphorylase (PNP) using inosine as substrate at a concentration of 10 uM.


J Med Chem 42: 2422-31 (1999)


Article DOI: 10.1021/jm990037y
BindingDB Entry DOI: 10.7270/Q2CR5SKN
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Bos taurus (bovine))
BDBM50039549
PNG
(3-(2-Amino-4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyri...)
Show SMILES Nc1nc2c(c[nH]c2c(=O)[nH]1)C(CC#N)c1cccc(Cl)c1
Show InChI InChI=1S/C15H12ClN5O/c16-9-3-1-2-8(6-9)10(4-5-17)11-7-19-13-12(11)20-15(18)21-14(13)22/h1-3,6-7,10,19H,4H2,(H3,18,20,21,22)
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n/an/a 16.3n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibitory activity against calf spleen purine nucleoside phosphorylase (PNP) using inosine as substrate at a concentration of 10 uM.


J Med Chem 42: 2422-31 (1999)


Article DOI: 10.1021/jm990037y
BindingDB Entry DOI: 10.7270/Q2CR5SKN
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Bos taurus (bovine))
BDBM50039547
PNG
(2-Amino-7-benzyl-3,5-dihydro-pyrrolo[3,2-d]pyrimid...)
Show SMILES Nc1nc2c(Cc3ccccc3)c[nH]c2c(=O)[nH]1
Show InChI InChI=1S/C13H12N4O/c14-13-16-10-9(6-8-4-2-1-3-5-8)7-15-11(10)12(18)17-13/h1-5,7,15H,6H2,(H3,14,16,17,18)
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n/an/a 16.5n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibitory activity against calf spleen purine nucleoside phosphorylase (PNP) using inosine as substrate at a concentration of 10 uM.


J Med Chem 42: 2422-31 (1999)


Article DOI: 10.1021/jm990037y
BindingDB Entry DOI: 10.7270/Q2CR5SKN
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Bos taurus (bovine))
BDBM50046225
PNG
(2-Amino-7-(3,4-dichloro-benzyl)-3,5-dihydro-pyrrol...)
Show SMILES Nc1nc2c(Cc3ccc(Cl)c(Cl)c3)c[nH]c2c(=O)[nH]1
Show InChI InChI=1S/C13H10Cl2N4O/c14-8-2-1-6(4-9(8)15)3-7-5-17-11-10(7)18-13(16)19-12(11)20/h1-2,4-5,17H,3H2,(H3,16,18,19,20)
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n/an/a 17n/an/an/an/an/an/a



BioCryst Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of purine nucleoside phosphorylase against the enzyme from calf spleen in 1 mM phosphate


J Med Chem 36: 55-69 (1993)


BindingDB Entry DOI: 10.7270/Q2B27TCX
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Bos taurus (bovine))
BDBM50046219
PNG
(2-Amino-7-(4-chloro-benzyl)-3,5-dihydro-pyrrolo[3,...)
Show SMILES Nc1nc2c(Cc3ccc(Cl)cc3)c[nH]c2c(=O)[nH]1
Show InChI InChI=1S/C13H11ClN4O/c14-9-3-1-7(2-4-9)5-8-6-16-11-10(8)17-13(15)18-12(11)19/h1-4,6,16H,5H2,(H3,15,17,18,19)
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n/an/a 17.4n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibitory activity against calf spleen purine nucleoside phosphorylase (PNP) using inosine as substrate at a concentration of 10 uM.


J Med Chem 42: 2422-31 (1999)


Article DOI: 10.1021/jm990037y
BindingDB Entry DOI: 10.7270/Q2CR5SKN
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Bos taurus (bovine))
BDBM50048044
PNG
(2-Amino-7-(tetrahydro-thiophen-2-ylmethyl)-3,5-dih...)
Show SMILES Nc1nc2c(CC3CCCS3)c[nH]c2c(=O)[nH]1
Show InChI InChI=1S/C11H14N4OS/c12-11-14-8-6(4-7-2-1-3-17-7)5-13-9(8)10(16)15-11/h5,7,13H,1-4H2,(H3,12,14,15,16)
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n/an/a 17.4n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibitory activity against calf spleen purine nucleoside phosphorylase (PNP) using inosine as substrate at a concentration of 10 uM.


J Med Chem 42: 2422-31 (1999)


Article DOI: 10.1021/jm990037y
BindingDB Entry DOI: 10.7270/Q2CR5SKN
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Bos taurus (bovine))
BDBM50048045
PNG
(2-Amino-7-[1,2]dithian-3-ylmethyl-3,5-dihydro-pyrr...)
Show SMILES Nc1nc2c(CC3CCCSS3)c[nH]c2c(=O)[nH]1
Show InChI InChI=1S/C11H14N4OS2/c12-11-14-8-6(4-7-2-1-3-17-18-7)5-13-9(8)10(16)15-11/h5,7,13H,1-4H2,(H3,12,14,15,16)
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n/an/a 18n/an/an/an/an/an/a



BioCryst Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibition of purine nucleoside phosphorylase from calf spleen in 1 mM phosphate


J Med Chem 36: 1847-54 (1993)


BindingDB Entry DOI: 10.7270/Q2WQ02WD
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


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



Tokyo University of Pharmacy and Life Sciences

Curated by ChEMBL


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


Bioorg Med Chem 18: 2275-84 (2010)


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


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



Tokyo University of Pharmacy and Life Sciences

Curated by ChEMBL


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


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


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


(Bos taurus (bovine))
BDBM50048046
PNG
(2-Amino-7-(3-methyl-cyclohexylmethyl)-3,5-dihydro-...)
Show SMILES CC1CCCC(Cc2c[nH]c3c2nc(N)[nH]c3=O)C1
Show InChI InChI=1S/C14H20N4O/c1-8-3-2-4-9(5-8)6-10-7-16-12-11(10)17-14(15)18-13(12)19/h7-9,16H,2-6H2,1H3,(H3,15,17,18,19)
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n/an/a 19.2n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibitory activity against calf spleen purine nucleoside phosphorylase (PNP) using inosine as substrate at a concentration of 10 uM.


J Med Chem 42: 2422-31 (1999)


Article DOI: 10.1021/jm990037y
BindingDB Entry DOI: 10.7270/Q2CR5SKN
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Bos taurus (bovine))
BDBM50042804
PNG
(2-Amino-7-(3-chloro-benzyl)-3,5-dihydro-pyrrolo[3,...)
Show SMILES Nc1nc2c(Cc3cccc(Cl)c3)c[nH]c2c(=O)[nH]1
Show InChI InChI=1S/C13H11ClN4O/c14-9-3-1-2-7(5-9)4-8-6-16-11-10(8)17-13(15)18-12(11)19/h1-3,5-6,16H,4H2,(H3,15,17,18,19)
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n/an/a 20n/an/an/an/an/an/a



BioCryst Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Purine nucleoside phosphorylase was evaluated against the enzyme from calf spleen in 50 mM phosphate


J Med Chem 36: 55-69 (1993)


BindingDB Entry DOI: 10.7270/Q2B27TCX
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Bos taurus (bovine))
BDBM50039562
PNG
(2-Amino-7-cyclopentylmethyl-3,5-dihydro-pyrrolo[3,...)
Show SMILES Nc1nc2c(CC3CCCC3)c[nH]c2c(=O)[nH]1
Show InChI InChI=1S/C12H16N4O/c13-12-15-9-8(5-7-3-1-2-4-7)6-14-10(9)11(17)16-12/h6-7,14H,1-5H2,(H3,13,15,16,17)
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n/an/a 20.2n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibitory activity against calf spleen purine nucleoside phosphorylase (PNP) using inosine as substrate at a concentration of 10 uM.


J Med Chem 42: 2422-31 (1999)


Article DOI: 10.1021/jm990037y
BindingDB Entry DOI: 10.7270/Q2CR5SKN
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Bos taurus (bovine))
BDBM50046242
PNG
(2-Amino-7-thiophen-2-ylmethyl-3,5-dihydro-pyrrolo[...)
Show SMILES Nc1nc2c(Cc3cccs3)c[nH]c2c(=O)[nH]1
Show InChI InChI=1S/C11H10N4OS/c12-11-14-8-6(4-7-2-1-3-17-7)5-13-9(8)10(16)15-11/h1-3,5,13H,4H2,(H3,12,14,15,16)
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n/an/a 21n/an/an/an/an/an/a



BioCryst Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of purine nucleoside phosphorylase against the enzyme from calf spleen in 1 mM phosphate


J Med Chem 36: 55-69 (1993)


BindingDB Entry DOI: 10.7270/Q2B27TCX
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Bos taurus (bovine))
BDBM50042800
PNG
(2-Amino-7-cyclohexylmethyl-3,5-dihydro-pyrrolo[3,2...)
Show SMILES Nc1nc2c(CC3CCCCC3)c[nH]c2c(=O)[nH]1
Show InChI InChI=1S/C13H18N4O/c14-13-16-10-9(6-8-4-2-1-3-5-8)7-15-11(10)12(18)17-13/h7-8,15H,1-6H2,(H3,14,16,17,18)
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n/an/a 21n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibitory activity against calf spleen purine nucleoside phosphorylase (PNP) using inosine as substrate at a concentration of 10 uM.


J Med Chem 42: 2422-31 (1999)


Article DOI: 10.1021/jm990037y
BindingDB Entry DOI: 10.7270/Q2CR5SKN
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Bos taurus (bovine))
BDBM50039544
PNG
(2-Amino-7-thiophen-3-ylmethyl-3,5-dihydro-pyrrolo[...)
Show SMILES Nc1nc2c(Cc3ccsc3)c[nH]c2c(=O)[nH]1
Show InChI InChI=1S/C11H10N4OS/c12-11-14-8-7(3-6-1-2-17-5-6)4-13-9(8)10(16)15-11/h1-2,4-5,13H,3H2,(H3,12,14,15,16)
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n/an/a 22.6n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibitory activity against calf spleen purine nucleoside phosphorylase (PNP) using inosine as substrate at a concentration of 10 uM.


J Med Chem 42: 2422-31 (1999)


Article DOI: 10.1021/jm990037y
BindingDB Entry DOI: 10.7270/Q2CR5SKN
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Bos taurus (bovine))
BDBM50046245
PNG
(2-Amino-7-(4-iodo-benzyl)-3,5-dihydro-pyrrolo[3,2-...)
Show SMILES Nc1nc2c(Cc3ccc(I)cc3)c[nH]c2c(=O)[nH]1
Show InChI InChI=1S/C13H11IN4O/c14-9-3-1-7(2-4-9)5-8-6-16-11-10(8)17-13(15)18-12(11)19/h1-4,6,16H,5H2,(H3,15,17,18,19)
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n/an/a 23n/an/an/an/an/an/a



BioCryst Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Purine nucleoside phosphorylase was evaluated against the enzyme from calf spleen in 50 mM phosphate


J Med Chem 36: 55-69 (1993)


BindingDB Entry DOI: 10.7270/Q2B27TCX
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Bos taurus (bovine))
BDBM50046233
PNG
(2-Amino-7-(3-fluoro-benzyl)-3,5-dihydro-pyrrolo[3,...)
Show SMILES Nc1nc2c(Cc3cccc(F)c3)c[nH]c2c(=O)[nH]1
Show InChI InChI=1S/C13H11FN4O/c14-9-3-1-2-7(5-9)4-8-6-16-11-10(8)17-13(15)18-12(11)19/h1-3,5-6,16H,4H2,(H3,15,17,18,19)
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n/an/a 24n/an/an/an/an/an/a



BioCryst Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Purine nucleoside phosphorylase was evaluated against the enzyme from calf spleen in 1 mM phosphate


J Med Chem 36: 55-69 (1993)


BindingDB Entry DOI: 10.7270/Q2B27TCX
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Bos taurus (bovine))
BDBM50039548
PNG
(7-Benzyl-3,5-dihydro-pyrrolo[3,2-d]pyrimidin-4-one...)
Show SMILES O=c1[nH]cnc2c(Cc3ccccc3)c[nH]c12
Show InChI InChI=1S/C13H11N3O/c17-13-12-11(15-8-16-13)10(7-14-12)6-9-4-2-1-3-5-9/h1-5,7-8,14H,6H2,(H,15,16,17)
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n/an/a 24.5n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibitory activity against calf spleen purine nucleoside phosphorylase (PNP) using inosine as substrate at a concentration of 10 uM.


J Med Chem 42: 2422-31 (1999)


Article DOI: 10.1021/jm990037y
BindingDB Entry DOI: 10.7270/Q2CR5SKN
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Bos taurus (bovine))
BDBM50048053
PNG
(2-Amino-7-(3-trifluoromethyl-cyclohexylmethyl)-3,5...)
Show SMILES Nc1nc2c(CC3CCCC(C3)C(F)(F)F)c[nH]c2c(=O)[nH]1
Show InChI InChI=1S/C14H17F3N4O/c15-14(16,17)9-3-1-2-7(5-9)4-8-6-19-11-10(8)20-13(18)21-12(11)22/h6-7,9,19H,1-5H2,(H3,18,20,21,22)
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n/an/a 25n/an/an/an/an/an/a



BioCryst Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibition of purine nucleoside phosphorylase from calf spleen in 1 mM phosphate


J Med Chem 36: 1847-54 (1993)


BindingDB Entry DOI: 10.7270/Q2WQ02WD
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Bos taurus (bovine))
BDBM50048046
PNG
(2-Amino-7-(3-methyl-cyclohexylmethyl)-3,5-dihydro-...)
Show SMILES CC1CCCC(Cc2c[nH]c3c2nc(N)[nH]c3=O)C1
Show InChI InChI=1S/C14H20N4O/c1-8-3-2-4-9(5-8)6-10-7-16-12-11(10)17-14(15)18-13(12)19/h7-9,16H,2-6H2,1H3,(H3,15,17,18,19)
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n/an/a 25n/an/an/an/an/an/a



BioCryst Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibition of purine nucleoside phosphorylase from calf spleen in 1 mM phosphate


J Med Chem 36: 1847-54 (1993)


BindingDB Entry DOI: 10.7270/Q2WQ02WD
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Bos taurus (bovine))
BDBM50039542
PNG
(2-Amino-7-pyridin-3-ylmethyl-3,5-dihydro-pyrrolo[3...)
Show SMILES Nc1nc2c(Cc3cccnc3)c[nH]c2c(=O)[nH]1
Show InChI InChI=1S/C12H11N5O/c13-12-16-9-8(4-7-2-1-3-14-5-7)6-15-10(9)11(18)17-12/h1-3,5-6,15H,4H2,(H3,13,16,17,18)
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n/an/a 25n/an/an/an/an/an/a



BioCryst Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Purine nucleoside phosphorylase was evaluated against the enzyme from calf spleen in 50 mM phosphate


J Med Chem 36: 55-69 (1993)


BindingDB Entry DOI: 10.7270/Q2B27TCX
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Bos taurus (bovine))
BDBM50046219
PNG
(2-Amino-7-(4-chloro-benzyl)-3,5-dihydro-pyrrolo[3,...)
Show SMILES Nc1nc2c(Cc3ccc(Cl)cc3)c[nH]c2c(=O)[nH]1
Show InChI InChI=1S/C13H11ClN4O/c14-9-3-1-7(2-4-9)5-8-6-16-11-10(8)17-13(15)18-12(11)19/h1-4,6,16H,5H2,(H3,15,17,18,19)
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n/an/a 25n/an/an/an/an/an/a



BioCryst Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of purine nucleoside phosphorylase against the enzyme from calf spleen in 1 mM phosphate


J Med Chem 36: 55-69 (1993)


BindingDB Entry DOI: 10.7270/Q2B27TCX
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Bos taurus (bovine))
BDBM50039544
PNG
(2-Amino-7-thiophen-3-ylmethyl-3,5-dihydro-pyrrolo[...)
Show SMILES Nc1nc2c(Cc3ccsc3)c[nH]c2c(=O)[nH]1
Show InChI InChI=1S/C11H10N4OS/c12-11-14-8-7(3-6-1-2-17-5-6)4-13-9(8)10(16)15-11/h1-2,4-5,13H,3H2,(H3,12,14,15,16)
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n/an/a 25n/an/an/an/an/an/a



BioCryst Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of purine nucleoside phosphorylase against the enzyme from calf spleen in 1 mM phosphate


J Med Chem 36: 55-69 (1993)


BindingDB Entry DOI: 10.7270/Q2B27TCX
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Bos taurus (bovine))
BDBM50042804
PNG
(2-Amino-7-(3-chloro-benzyl)-3,5-dihydro-pyrrolo[3,...)
Show SMILES Nc1nc2c(Cc3cccc(Cl)c3)c[nH]c2c(=O)[nH]1
Show InChI InChI=1S/C13H11ClN4O/c14-9-3-1-2-7(5-9)4-8-6-16-11-10(8)17-13(15)18-12(11)19/h1-3,5-6,16H,4H2,(H3,15,17,18,19)
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n/an/a 25.8n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibitory activity against calf spleen purine nucleoside phosphorylase (PNP) using inosine as substrate at a concentration of 10 uM.


J Med Chem 42: 2422-31 (1999)


Article DOI: 10.1021/jm990037y
BindingDB Entry DOI: 10.7270/Q2CR5SKN
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Bos taurus (bovine))
BDBM50039542
PNG
(2-Amino-7-pyridin-3-ylmethyl-3,5-dihydro-pyrrolo[3...)
Show SMILES Nc1nc2c(Cc3cccnc3)c[nH]c2c(=O)[nH]1
Show InChI InChI=1S/C12H11N5O/c13-12-16-9-8(4-7-2-1-3-14-5-7)6-15-10(9)11(18)17-12/h1-3,5-6,15H,4H2,(H3,13,16,17,18)
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n/an/a 27n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibitory activity against calf spleen purine nucleoside phosphorylase (PNP) using inosine as substrate at a concentration of 10 uM.


J Med Chem 42: 2422-31 (1999)


Article DOI: 10.1021/jm990037y
BindingDB Entry DOI: 10.7270/Q2CR5SKN
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Bos taurus (bovine))
BDBM50039562
PNG
(2-Amino-7-cyclopentylmethyl-3,5-dihydro-pyrrolo[3,...)
Show SMILES Nc1nc2c(CC3CCCC3)c[nH]c2c(=O)[nH]1
Show InChI InChI=1S/C12H16N4O/c13-12-15-9-8(5-7-3-1-2-4-7)6-14-10(9)11(17)16-12/h6-7,14H,1-5H2,(H3,13,15,16,17)
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n/an/a 29n/an/an/an/an/an/a



BioCryst Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibition of purine nucleoside phosphorylase from calf spleen in 1 mM phosphate


J Med Chem 36: 1847-54 (1993)


BindingDB Entry DOI: 10.7270/Q2WQ02WD
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Bos taurus (bovine))
BDBM50048043
PNG
(2-Amino-7-cycloheptylmethyl-3,5-dihydro-pyrrolo[3,...)
Show SMILES Nc1nc2c(CC3CCCCCC3)c[nH]c2c(=O)[nH]1
Show InChI InChI=1S/C14H20N4O/c15-14-17-11-10(8-16-12(11)13(19)18-14)7-9-5-3-1-2-4-6-9/h8-9,16H,1-7H2,(H3,15,17,18,19)
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n/an/a 30n/an/an/an/an/an/a



BioCryst Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibition of purine nucleoside phosphorylase from calf spleen in 1 mM phosphate


J Med Chem 36: 1847-54 (1993)


BindingDB Entry DOI: 10.7270/Q2WQ02WD
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Bos taurus (bovine))
BDBM50078452
PNG
((S)-3-(2-Amino-4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]...)
Show SMILES Nc1nc2c(c[nH]c2c(=O)[nH]1)[C@@H](CC(O)=O)c1cccc(Cl)c1
Show InChI InChI=1S/C15H13ClN4O3/c16-8-3-1-2-7(4-8)9(5-11(21)22)10-6-18-13-12(10)19-15(17)20-14(13)23/h1-4,6,9,18H,5H2,(H,21,22)(H3,17,19,20,23)/t9-/m0/s1
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n/an/a 35.6n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibitory activity against calf spleen purine nucleoside phosphorylase (PNP) using inosine as substrate at a concentration of 10 uM.


J Med Chem 42: 2422-31 (1999)


Article DOI: 10.1021/jm990037y
BindingDB Entry DOI: 10.7270/Q2CR5SKN
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Bos taurus (bovine))
BDBM50046232
PNG
(2-Amino-7-(3-trifluoromethyl-benzyl)-3,5-dihydro-p...)
Show SMILES Nc1nc2c(Cc3cccc(c3)C(F)(F)F)c[nH]c2c(=O)[nH]1
Show InChI InChI=1S/C14H11F3N4O/c15-14(16,17)9-3-1-2-7(5-9)4-8-6-19-11-10(8)20-13(18)21-12(11)22/h1-3,5-6,19H,4H2,(H3,18,20,21,22)
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n/an/a 36n/an/an/an/an/an/a



BioCryst Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of purine nucleoside phosphorylase against the enzyme from calf spleen in 1 mM phosphate


J Med Chem 36: 55-69 (1993)


BindingDB Entry DOI: 10.7270/Q2B27TCX
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Bos taurus (bovine))
BDBM50046213
PNG
(2-Amino-7-(3-hydroxy-benzyl)-3,5-dihydro-pyrrolo[3...)
Show SMILES Nc1nc2c(Cc3cccc(O)c3)c[nH]c2c(=O)[nH]1
Show InChI InChI=1S/C13H12N4O2/c14-13-16-10-8(6-15-11(10)12(19)17-13)4-7-2-1-3-9(18)5-7/h1-3,5-6,15,18H,4H2,(H3,14,16,17,19)
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n/an/a 36.1n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibitory activity against calf spleen purine nucleoside phosphorylase (PNP) using inosine as substrate at a concentration of 10 uM.


J Med Chem 42: 2422-31 (1999)


Article DOI: 10.1021/jm990037y
BindingDB Entry DOI: 10.7270/Q2CR5SKN
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Bos taurus (bovine))
BDBM50078458
PNG
(3-(4-Oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-7-...)
Show SMILES O=c1[nH]cnc2c(c[nH]c12)C(CC#N)c1cccnc1
Show InChI InChI=1S/C14H11N5O/c15-4-3-10(9-2-1-5-16-6-9)11-7-17-13-12(11)18-8-19-14(13)20/h1-2,5-8,10,17H,3H2,(H,18,19,20)
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n/an/a 38.9n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibitory activity against calf spleen purine nucleoside phosphorylase (PNP) using inosine as substrate at a concentration of 10 uM.


J Med Chem 42: 2422-31 (1999)


Article DOI: 10.1021/jm990037y
BindingDB Entry DOI: 10.7270/Q2CR5SKN
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Bos taurus (bovine))
BDBM50078459
PNG
(2-Amino-7-phenoxy-3,5-dihydro-pyrrolo[3,2-d]pyrimi...)
Show SMILES Nc1nc2c(Oc3ccccc3)c[nH]c2c(=O)[nH]1
Show InChI InChI=1S/C12H10N4O2/c13-12-15-9-8(6-14-10(9)11(17)16-12)18-7-4-2-1-3-5-7/h1-6,14H,(H3,13,15,16,17)
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n/an/a 41.5n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibitory activity against calf spleen purine nucleoside phosphorylase (PNP) using inosine as substrate at a concentration of 10 uM.


J Med Chem 42: 2422-31 (1999)


Article DOI: 10.1021/jm990037y
BindingDB Entry DOI: 10.7270/Q2CR5SKN
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


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



Tokyo University of Pharmacy and Life Sciences

Curated by ChEMBL


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


Bioorg Med Chem 18: 2275-84 (2010)


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


(Bos taurus (bovine))
BDBM50042799
PNG
(3-(2-Amino-4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyri...)
Show SMILES Nc1nc2c(c[nH]c2c(=O)[nH]1)C(CC(O)=O)c1ccccc1
Show InChI InChI=1S/C15H14N4O3/c16-15-18-12-10(7-17-13(12)14(22)19-15)9(6-11(20)21)8-4-2-1-3-5-8/h1-5,7,9,17H,6H2,(H,20,21)(H3,16,18,19,22)
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n/an/a 46.8n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibitory activity against calf spleen purine nucleoside phosphorylase (PNP) using inosine as substrate at a concentration of 10 uM.


J Med Chem 42: 2422-31 (1999)


Article DOI: 10.1021/jm990037y
BindingDB Entry DOI: 10.7270/Q2CR5SKN
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Bos taurus (bovine))
BDBM50042800
PNG
(2-Amino-7-cyclohexylmethyl-3,5-dihydro-pyrrolo[3,2...)
Show SMILES Nc1nc2c(CC3CCCCC3)c[nH]c2c(=O)[nH]1
Show InChI InChI=1S/C13H18N4O/c14-13-16-10-9(6-8-4-2-1-3-5-8)7-15-11(10)12(18)17-13/h7-8,15H,1-6H2,(H3,14,16,17,18)
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n/an/a 47n/an/an/an/an/an/a



BioCryst Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibition of purine nucleoside phosphorylase from calf spleen in 1 mM phosphate


J Med Chem 36: 1847-54 (1993)


BindingDB Entry DOI: 10.7270/Q2WQ02WD
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Bos taurus (bovine))
BDBM50039547
PNG
(2-Amino-7-benzyl-3,5-dihydro-pyrrolo[3,2-d]pyrimid...)
Show SMILES Nc1nc2c(Cc3ccccc3)c[nH]c2c(=O)[nH]1
Show InChI InChI=1S/C13H12N4O/c14-13-16-10-9(6-8-4-2-1-3-5-8)7-15-11(10)12(18)17-13/h1-5,7,15H,6H2,(H3,14,16,17,18)
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n/an/a 51n/an/an/an/an/an/a



BioCryst Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of purine nucleoside phosphorylase against the enzyme from calf spleen in 1 mM phosphate


J Med Chem 36: 55-69 (1993)


BindingDB Entry DOI: 10.7270/Q2B27TCX
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Bos taurus (bovine))
BDBM50046222
PNG
(2-Amino-7-(3-methyl-benzyl)-3,5-dihydro-pyrrolo[3,...)
Show SMILES Cc1cccc(Cc2c[nH]c3c2nc(N)[nH]c3=O)c1
Show InChI InChI=1S/C14H14N4O/c1-8-3-2-4-9(5-8)6-10-7-16-12-11(10)17-14(15)18-13(12)19/h2-5,7,16H,6H2,1H3,(H3,15,17,18,19)
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n/an/a 57n/an/an/an/an/an/a



BioCryst Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of purine nucleoside phosphorylase against the enzyme from calf spleen in 1 mM phosphate


J Med Chem 36: 55-69 (1993)


BindingDB Entry DOI: 10.7270/Q2B27TCX
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Bos taurus (bovine))
BDBM50280445
PNG
((E)-2-{2-[(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl...)
Show SMILES Nc1nc2n(Cc3ccccc3C=C(F)P([O-])([O-])=O)cnc2c(=O)[nH]1 |w:12.12|
Show InChI InChI=1S/C14H13FN5O4P/c15-10(25(22,23)24)5-8-3-1-2-4-9(8)6-20-7-17-11-12(20)18-14(16)19-13(11)21/h1-5,7H,6H2,(H2,22,23,24)(H3,16,18,19,21)/p-2
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n/an/a 60n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration against calf spleen purine nucleoside phosphorylase in the presence of 50 mM (pi) orthophosphonate


Bioorg Med Chem Lett 2: 407-410 (1992)


Article DOI: 10.1016/S0960-894X(00)80157-2
BindingDB Entry DOI: 10.7270/Q2WD412N
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Bos taurus (bovine))
BDBM50078453
PNG
(2-Amino-7-pyridin-4-ylmethyl-3,5-dihydro-pyrrolo[3...)
Show SMILES Nc1nc2c(Cc3ccncc3)c[nH]c2c(=O)[nH]1
Show InChI InChI=1S/C12H11N5O/c13-12-16-9-8(5-7-1-3-14-4-2-7)6-15-10(9)11(18)17-12/h1-4,6,15H,5H2,(H3,13,16,17,18)
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n/an/a 63.5n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibitory activity against calf spleen purine nucleoside phosphorylase (PNP) using inosine as substrate at a concentration of 10 uM.


J Med Chem 42: 2422-31 (1999)


Article DOI: 10.1021/jm990037y
BindingDB Entry DOI: 10.7270/Q2CR5SKN
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Bos taurus (bovine))
BDBM50005795
PNG
(2,8-Diamino-9-thiophen-2-ylmethyl-1,9-dihydro-puri...)
Show SMILES Nc1nc2c(nc(N)[nH]c2=O)n1Cc1cccs1
Show InChI InChI=1S/C10H10N6OS/c11-9-14-7-6(8(17)15-9)13-10(12)16(7)4-5-2-1-3-18-5/h1-3H,4H2,(H2,12,13)(H3,11,14,15,17)
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n/an/a 69.4n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibitory activity against calf spleen purine nucleoside phosphorylase (PNP) using inosine as substrate at a concentration of 10 uM.


J Med Chem 42: 2422-31 (1999)


Article DOI: 10.1021/jm990037y
BindingDB Entry DOI: 10.7270/Q2CR5SKN
More data for this
Ligand-Target Pair
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