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Compile Data Set for Download or QSAR

Found 26 hits of ic50 for UniProtKB: P85973   
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


(Rattus norvegicus)
BDBM50039561
PNG
(3-(3-Chloro-phenyl)-3-(4-oxo-4,5-dihydro-3H-pyrrol...)
Show SMILES Clc1cccc(c1)C(CC#N)c1c[nH]c2c1nc[nH]c2=O
Show InChI InChI=1S/C15H11ClN4O/c16-10-3-1-2-9(6-10)11(4-5-17)12-7-18-14-13(12)19-8-20-15(14)21/h1-3,6-8,11,18H,4H2,(H,19,20,21)
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n/an/a 10n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Tested for its ability to inhibit calf spleen purine nucleoside phosphorylase (PNP)


J Med Chem 37: 2477-80 (1994)


BindingDB Entry DOI: 10.7270/Q21G0K9T
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Rattus norvegicus)
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 11n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Tested for its ability to inhibit calf spleen purine nucleoside phosphorylase (PNP)


J Med Chem 37: 2477-80 (1994)


BindingDB Entry DOI: 10.7270/Q21G0K9T
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Rattus norvegicus)
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



Southern Research Institute

Curated by ChEMBL


Assay Description
Tested for its ability to inhibit calf spleen purine nucleoside phosphorylase (PNP)


J Med Chem 37: 2477-80 (1994)


BindingDB Entry DOI: 10.7270/Q21G0K9T
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Rattus norvegicus)
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



Southern Research Institute

Curated by ChEMBL


Assay Description
Tested for its ability to inhibit calf spleen purine nucleoside phosphorylase (PNP)


J Med Chem 37: 2477-80 (1994)


BindingDB Entry DOI: 10.7270/Q21G0K9T
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Rattus norvegicus)
BDBM50039556
PNG
(7-Thiophen-3-ylmethyl-3,5-dihydro-pyrrolo[3,2-d]py...)
Show SMILES O=c1[nH]cnc2c(Cc3ccsc3)c[nH]c12
Show InChI InChI=1S/C11H9N3OS/c15-11-10-9(13-6-14-11)8(4-12-10)3-7-1-2-16-5-7/h1-2,4-6,12H,3H2,(H,13,14,15)
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n/an/a 28n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Tested for its ability to inhibit calf spleen purine nucleoside phosphorylase (PNP)


J Med Chem 37: 2477-80 (1994)


BindingDB Entry DOI: 10.7270/Q21G0K9T
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Rattus norvegicus)
BDBM50039553
PNG
(7-Cyclopentylmethyl-3,5-dihydro-pyrrolo[3,2-d]pyri...)
Show SMILES O=c1[nH]cnc2c(CC3CCCC3)c[nH]c12
Show InChI InChI=1S/C12H15N3O/c16-12-11-10(14-7-15-12)9(6-13-11)5-8-3-1-2-4-8/h6-8,13H,1-5H2,(H,14,15,16)
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n/an/a 29n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Tested for its ability to inhibit calf spleen purine nucleoside phosphorylase (PNP)


J Med Chem 37: 2477-80 (1994)


BindingDB Entry DOI: 10.7270/Q21G0K9T
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Rattus norvegicus)
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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Southern Research Institute

Curated by ChEMBL


Assay Description
Tested for its ability to inhibit calf spleen purine nucleoside phosphorylase (PNP)


J Med Chem 37: 2477-80 (1994)


BindingDB Entry DOI: 10.7270/Q21G0K9T
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Rattus norvegicus)
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 35n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Tested for its ability to inhibit calf spleen purine nucleoside phosphorylase (PNP)


J Med Chem 37: 2477-80 (1994)


BindingDB Entry DOI: 10.7270/Q21G0K9T
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Rattus norvegicus)
BDBM50039546
PNG
(7-Pyridin-3-ylmethyl-3,5-dihydro-pyrrolo[3,2-d]pyr...)
Show SMILES O=c1[nH]cnc2c(Cc3cccnc3)c[nH]c12
Show InChI InChI=1S/C12H10N4O/c17-12-11-10(15-7-16-12)9(6-14-11)4-8-2-1-3-13-5-8/h1-3,5-7,14H,4H2,(H,15,16,17)
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n/an/a 40n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Tested for its ability to inhibit calf spleen purine nucleoside phosphorylase (PNP)


J Med Chem 37: 2477-80 (1994)


BindingDB Entry DOI: 10.7270/Q21G0K9T
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Rattus norvegicus)
BDBM50039551
PNG
(CHEMBL13448 | [5-(2-Amino-6-oxo-1,6-dihydro-purin-...)
Show SMILES CC(C)(CCn1cnc2c1nc(N)[nH]c2=O)CCP(O)(O)=O
Show InChI InChI=1S/C12H20N5O4P/c1-12(2,4-6-22(19,20)21)3-5-17-7-14-8-9(17)15-11(13)16-10(8)18/h7H,3-6H2,1-2H3,(H2,19,20,21)(H3,13,15,16,18)
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n/an/a 44n/an/an/an/an/an/a



Ciba-Geigy Corporation

Curated by ChEMBL


Assay Description
Inhibition of calf spleen PNP (purine nucleoside phosphorylase) in 1 mM phosphate


J Med Chem 37: 1109-14 (1994)


BindingDB Entry DOI: 10.7270/Q2348JFD
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Rattus norvegicus)
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



Southern Research Institute

Curated by ChEMBL


Assay Description
Tested for its ability to inhibit calf spleen purine nucleoside phosphorylase (PNP)


J Med Chem 37: 2477-80 (1994)


BindingDB Entry DOI: 10.7270/Q21G0K9T
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Rattus norvegicus)
BDBM50039557
PNG
(2-Amino-7-(3-benzyloxy-benzyl)-3,5-dihydro-pyrrolo...)
Show SMILES Nc1nc2c(Cc3cccc(OCc4ccccc4)c3)c[nH]c2c(=O)[nH]1
Show InChI InChI=1S/C20H18N4O2/c21-20-23-17-15(11-22-18(17)19(25)24-20)9-14-7-4-8-16(10-14)26-12-13-5-2-1-3-6-13/h1-8,10-11,22H,9,12H2,(H3,21,23,24,25)
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n/an/a 147n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Tested for its ability to inhibit calf spleen purine nucleoside phosphorylase (PNP)


J Med Chem 37: 2477-80 (1994)


BindingDB Entry DOI: 10.7270/Q21G0K9T
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Rattus norvegicus)
BDBM50041095
PNG
(5-(2-Amino-6-oxo-1,6-dihydro-purin-9-yl)-3,3-dimet...)
Show SMILES CC(C)(CCn1cnc2c1nc(N)[nH]c2=O)CCS(O)(=O)=O
Show InChI InChI=1S/C12H19N5O4S/c1-12(2,4-6-22(19,20)21)3-5-17-7-14-8-9(17)15-11(13)16-10(8)18/h7H,3-6H2,1-2H3,(H,19,20,21)(H3,13,15,16,18)
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Ciba-Geigy Corporation

Curated by ChEMBL


Assay Description
Inhibition of calf spleen PNP (purine nucleoside phosphorylase) in 1 mM phosphate


J Med Chem 37: 1109-14 (1994)


BindingDB Entry DOI: 10.7270/Q2348JFD
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Rattus norvegicus)
BDBM50039558
PNG
(7-(3-Benzyloxy-benzyl)-3,5-dihydro-pyrrolo[3,2-d]p...)
Show SMILES O=c1[nH]cnc2c(Cc3cccc(OCc4ccccc4)c3)c[nH]c12
Show InChI InChI=1S/C20H17N3O2/c24-20-19-18(22-13-23-20)16(11-21-19)9-15-7-4-8-17(10-15)25-12-14-5-2-1-3-6-14/h1-8,10-11,13,21H,9,12H2,(H,22,23,24)
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n/an/a 190n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Tested for its ability to inhibit calf spleen purine nucleoside phosphorylase (PNP)


J Med Chem 37: 2477-80 (1994)


BindingDB Entry DOI: 10.7270/Q21G0K9T
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Rattus norvegicus)
BDBM50039551
PNG
(CHEMBL13448 | [5-(2-Amino-6-oxo-1,6-dihydro-purin-...)
Show SMILES CC(C)(CCn1cnc2c1nc(N)[nH]c2=O)CCP(O)(O)=O
Show InChI InChI=1S/C12H20N5O4P/c1-12(2,4-6-22(19,20)21)3-5-17-7-14-8-9(17)15-11(13)16-10(8)18/h7H,3-6H2,1-2H3,(H2,19,20,21)(H3,13,15,16,18)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Ciba-Geigy Corporation

Curated by ChEMBL


Assay Description
Inhibition of calf spleen PNP (purine nucleoside phosphorylase) in 50 mM phosphate


J Med Chem 37: 1109-14 (1994)


BindingDB Entry DOI: 10.7270/Q2348JFD
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Rattus norvegicus)
BDBM50041097
PNG
(6-(2-Amino-6-oxo-1,6-dihydro-purin-9-yl)-4,4-dimet...)
Show SMILES CC(C)(CCC(O)=O)CCn1cnc2c1nc(N)[nH]c2=O
Show InChI InChI=1S/C13H19N5O3/c1-13(2,4-3-8(19)20)5-6-18-7-15-9-10(18)16-12(14)17-11(9)21/h7H,3-6H2,1-2H3,(H,19,20)(H3,14,16,17,21)
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n/an/a 8.00E+3n/an/an/an/an/an/a



Ciba-Geigy Corporation

Curated by ChEMBL


Assay Description
Inhibition of calf spleen PNP (purine nucleoside phosphorylase) in 1 mM phosphate


J Med Chem 37: 1109-14 (1994)


BindingDB Entry DOI: 10.7270/Q2348JFD
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Rattus norvegicus)
BDBM50041095
PNG
(5-(2-Amino-6-oxo-1,6-dihydro-purin-9-yl)-3,3-dimet...)
Show SMILES CC(C)(CCn1cnc2c1nc(N)[nH]c2=O)CCS(O)(=O)=O
Show InChI InChI=1S/C12H19N5O4S/c1-12(2,4-6-22(19,20)21)3-5-17-7-14-8-9(17)15-11(13)16-10(8)18/h7H,3-6H2,1-2H3,(H,19,20,21)(H3,13,15,16,18)
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n/an/a 9.00E+3n/an/an/an/an/an/a



Ciba-Geigy Corporation

Curated by ChEMBL


Assay Description
Inhibition of calf spleen PNP (purine nucleoside phosphorylase) in 50 mM phosphate


J Med Chem 37: 1109-14 (1994)


BindingDB Entry DOI: 10.7270/Q2348JFD
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Rattus norvegicus)
BDBM50041096
PNG
(2-Amino-9-(5-mercapto-3,3-dimethyl-pentyl)-1,9-dih...)
Show SMILES CC(C)(CCS)CCn1cnc2c1nc(N)[nH]c2=S
Show InChI InChI=1S/C12H19N5S2/c1-12(2,4-6-18)3-5-17-7-14-8-9(17)15-11(13)16-10(8)19/h7,18H,3-6H2,1-2H3,(H3,13,15,16,19)
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n/an/a 5.00E+4n/an/an/an/an/an/a



Ciba-Geigy Corporation

Curated by ChEMBL


Assay Description
Inhibition of calf spleen PNP (purine nucleoside phosphorylase) in 1 mM phosphate


J Med Chem 37: 1109-14 (1994)


BindingDB Entry DOI: 10.7270/Q2348JFD
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Rattus norvegicus)
BDBM50041096
PNG
(2-Amino-9-(5-mercapto-3,3-dimethyl-pentyl)-1,9-dih...)
Show SMILES CC(C)(CCS)CCn1cnc2c1nc(N)[nH]c2=S
Show InChI InChI=1S/C12H19N5S2/c1-12(2,4-6-18)3-5-17-7-14-8-9(17)15-11(13)16-10(8)19/h7,18H,3-6H2,1-2H3,(H3,13,15,16,19)
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n/an/a 9.50E+4n/an/an/an/an/an/a



Ciba-Geigy Corporation

Curated by ChEMBL


Assay Description
Inhibition of calf spleen PNP (purine nucleoside phosphorylase) in 50 mM phosphate


J Med Chem 37: 1109-14 (1994)


BindingDB Entry DOI: 10.7270/Q2348JFD
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Rattus norvegicus)
BDBM50041093
PNG
(5-(2-Amino-6-oxo-1,6-dihydro-purin-9-yl)-3,3-dimet...)
Show SMILES CC(C)(CCn1cnc2c1nc(N)[nH]c2=O)CCS(N)(=O)=O
Show InChI InChI=1S/C12H20N6O3S/c1-12(2,4-6-22(14,20)21)3-5-18-7-15-8-9(18)16-11(13)17-10(8)19/h7H,3-6H2,1-2H3,(H2,14,20,21)(H3,13,16,17,19)
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n/an/a 1.00E+5n/an/an/an/an/an/a



Ciba-Geigy Corporation

Curated by ChEMBL


Assay Description
Inhibition of calf spleen PNP (purine nucleoside phosphorylase) in 1 mM phosphate


J Med Chem 37: 1109-14 (1994)


BindingDB Entry DOI: 10.7270/Q2348JFD
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Rattus norvegicus)
BDBM50041098
PNG
(6-(2-Amino-6-oxo-1,6-dihydro-purin-9-yl)-4,4-dimet...)
Show SMILES CC(C)(CCC(N)=O)CCn1cnc2c1nc(N)[nH]c2=O
Show InChI InChI=1S/C13H20N6O2/c1-13(2,4-3-8(14)20)5-6-19-7-16-9-10(19)17-12(15)18-11(9)21/h7H,3-6H2,1-2H3,(H2,14,20)(H3,15,17,18,21)
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n/an/a 2.00E+5n/an/an/an/an/an/a



Ciba-Geigy Corporation

Curated by ChEMBL


Assay Description
Inhibition of calf spleen PNP (purine nucleoside phosphorylase) in 1 mM phosphate


J Med Chem 37: 1109-14 (1994)


BindingDB Entry DOI: 10.7270/Q2348JFD
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Rattus norvegicus)
BDBM50041094
PNG
(6-(2-Amino-6-oxo-1,6-dihydro-purin-9-yl)-4,4-dimet...)
Show SMILES CC(C)(CCC#N)CCn1cnc2c1nc(N)[nH]c2=O
Show InChI InChI=1S/C13H18N6O/c1-13(2,4-3-6-14)5-7-19-8-16-9-10(19)17-12(15)18-11(9)20/h8H,3-5,7H2,1-2H3,(H3,15,17,18,20)
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n/an/a 2.60E+5n/an/an/an/an/an/a



Ciba-Geigy Corporation

Curated by ChEMBL


Assay Description
Inhibition of calf spleen PNP (purine nucleoside phosphorylase) in 1 mM phosphate


J Med Chem 37: 1109-14 (1994)


BindingDB Entry DOI: 10.7270/Q2348JFD
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Rattus norvegicus)
BDBM50041097
PNG
(6-(2-Amino-6-oxo-1,6-dihydro-purin-9-yl)-4,4-dimet...)
Show SMILES CC(C)(CCC(O)=O)CCn1cnc2c1nc(N)[nH]c2=O
Show InChI InChI=1S/C13H19N5O3/c1-13(2,4-3-8(19)20)5-6-18-7-15-9-10(18)16-12(14)17-11(9)21/h7H,3-6H2,1-2H3,(H,19,20)(H3,14,16,17,21)
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n/an/a 2.90E+5n/an/an/an/an/an/a



Ciba-Geigy Corporation

Curated by ChEMBL


Assay Description
Inhibition of calf spleen PNP (purine nucleoside phosphorylase) in 50 mM phosphate


J Med Chem 37: 1109-14 (1994)


BindingDB Entry DOI: 10.7270/Q2348JFD
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Rattus norvegicus)
BDBM50041094
PNG
(6-(2-Amino-6-oxo-1,6-dihydro-purin-9-yl)-4,4-dimet...)
Show SMILES CC(C)(CCC#N)CCn1cnc2c1nc(N)[nH]c2=O
Show InChI InChI=1S/C13H18N6O/c1-13(2,4-3-6-14)5-7-19-8-16-9-10(19)17-12(15)18-11(9)20/h8H,3-5,7H2,1-2H3,(H3,15,17,18,20)
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n/an/a>3.00E+5n/an/an/an/an/an/a



Ciba-Geigy Corporation

Curated by ChEMBL


Assay Description
Inhibition of calf spleen PNP (purine nucleoside phosphorylase) in 50 mM phosphate


J Med Chem 37: 1109-14 (1994)


BindingDB Entry DOI: 10.7270/Q2348JFD
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Rattus norvegicus)
BDBM50041098
PNG
(6-(2-Amino-6-oxo-1,6-dihydro-purin-9-yl)-4,4-dimet...)
Show SMILES CC(C)(CCC(N)=O)CCn1cnc2c1nc(N)[nH]c2=O
Show InChI InChI=1S/C13H20N6O2/c1-13(2,4-3-8(14)20)5-6-19-7-16-9-10(19)17-12(15)18-11(9)21/h7H,3-6H2,1-2H3,(H2,14,20)(H3,15,17,18,21)
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n/an/a>3.00E+5n/an/an/an/an/an/a



Ciba-Geigy Corporation

Curated by ChEMBL


Assay Description
Inhibition of calf spleen PNP (purine nucleoside phosphorylase) in 50 mM phosphate


J Med Chem 37: 1109-14 (1994)


BindingDB Entry DOI: 10.7270/Q2348JFD
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Rattus norvegicus)
BDBM50041093
PNG
(5-(2-Amino-6-oxo-1,6-dihydro-purin-9-yl)-3,3-dimet...)
Show SMILES CC(C)(CCn1cnc2c1nc(N)[nH]c2=O)CCS(N)(=O)=O
Show InChI InChI=1S/C12H20N6O3S/c1-12(2,4-6-22(14,20)21)3-5-18-7-15-8-9(18)16-11(13)17-10(8)19/h7H,3-6H2,1-2H3,(H2,14,20,21)(H3,13,16,17,19)
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n/an/a>3.00E+5n/an/an/an/an/an/a



Ciba-Geigy Corporation

Curated by ChEMBL


Assay Description
Inhibition of calf spleen PNP (purine nucleoside phosphorylase) in 50 mM phosphate


J Med Chem 37: 1109-14 (1994)


BindingDB Entry DOI: 10.7270/Q2348JFD
More data for this
Ligand-Target Pair