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PubMed code 27863017

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
Oxidized purine nucleoside triphosphate hydrolase


(Homo sapiens (Human))		BDBM227634
PNG
(MTH1 inhibitor, 121)
Show SMILES COc1ccc(CCNc2nc(N)nc3[nH]cnc23)cc1OC
Show InChI InChI=1S/C15H18N6O2/c1-22-10-4-3-9(7-11(10)23-2)5-6-17-13-12-14(19-8-18-12)21-15(16)20-13/h3-4,7-8H,5-6H2,1-2H3,(H4,16,17,18,19,20,21)
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n/an/a 210n/an/an/an/a7.5n/a



RIKEN Center for Life Science Technologies



Assay Description
Enzymatic reaction was initiated by adding either 8-oxo-dGTP (13.2 μm; TriLink BioTechnologies) or 2-OH-dATP (8.3 μm; Jena Bioscience) to r...

Chem Biol Drug Des 89: 862-869 (2017)


Article DOI: 10.1111/cbdd.12909
BindingDB Entry DOI: 10.7270/Q24748RZ
More data for this
Ligand-Target Pair
Oxidized purine nucleoside triphosphate hydrolase


(Homo sapiens (Human))		BDBM227638
PNG
(MTH1 inhibitor, 132)
Show SMILES CC12CC(CC(C)(C)C1)N(C2)c1nc(Cl)nc2[nH]cnc12
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n/an/a 230n/an/an/an/a7.5n/a



RIKEN Center for Life Science Technologies



Assay Description
Enzymatic reaction was initiated by adding either 8-oxo-dGTP (13.2 μm; TriLink BioTechnologies) or 2-OH-dATP (8.3 μm; Jena Bioscience) to r...

Chem Biol Drug Des 89: 862-869 (2017)


Article DOI: 10.1111/cbdd.12909
BindingDB Entry DOI: 10.7270/Q24748RZ
More data for this
Ligand-Target Pair
Oxidized purine nucleoside triphosphate hydrolase


(Homo sapiens (Human))		BDBM227638
PNG
(MTH1 inhibitor, 132)
Show SMILES CC12CC(CC(C)(C)C1)N(C2)c1nc(Cl)nc2[nH]cnc12
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n/an/a 350n/an/an/an/a7.5n/a



RIKEN Center for Life Science Technologies



Assay Description
Enzymatic reaction was initiated by adding either 8-oxo-dGTP (13.2 μm; TriLink BioTechnologies) or 2-OH-dATP (8.3 μm; Jena Bioscience) to r...

Chem Biol Drug Des 89: 862-869 (2017)


Article DOI: 10.1111/cbdd.12909
BindingDB Entry DOI: 10.7270/Q24748RZ
More data for this
Ligand-Target Pair
Oxidized purine nucleoside triphosphate hydrolase


(Homo sapiens (Human))		BDBM227634
PNG
(MTH1 inhibitor, 121)
Show SMILES COc1ccc(CCNc2nc(N)nc3[nH]cnc23)cc1OC
Show InChI InChI=1S/C15H18N6O2/c1-22-10-4-3-9(7-11(10)23-2)5-6-17-13-12-14(19-8-18-12)21-15(16)20-13/h3-4,7-8H,5-6H2,1-2H3,(H4,16,17,18,19,20,21)
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n/an/a 420n/an/an/an/a7.5n/a



RIKEN Center for Life Science Technologies



Assay Description
Enzymatic reaction was initiated by adding either 8-oxo-dGTP (13.2 μm; TriLink BioTechnologies) or 2-OH-dATP (8.3 μm; Jena Bioscience) to r...

Chem Biol Drug Des 89: 862-869 (2017)


Article DOI: 10.1111/cbdd.12909
BindingDB Entry DOI: 10.7270/Q24748RZ
More data for this
Ligand-Target Pair
Oxidized purine nucleoside triphosphate hydrolase


(Homo sapiens (Human))		BDBM227632
PNG
(MTH1 inhibitor, 53)
Show SMILES Nc1nc(NCc2ccccc2)c2nc[nH]c2n1
Show InChI InChI=1S/C12H12N6/c13-12-17-10(9-11(18-12)16-7-15-9)14-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H4,13,14,15,16,17,18)
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Assay Description
Enzymatic reaction was initiated by adding either 8-oxo-dGTP (13.2 μm; TriLink BioTechnologies) or 2-OH-dATP (8.3 μm; Jena Bioscience) to r...

Chem Biol Drug Des 89: 862-869 (2017)


Article DOI: 10.1111/cbdd.12909
BindingDB Entry DOI: 10.7270/Q24748RZ
More data for this
Ligand-Target Pair
Oxidized purine nucleoside triphosphate hydrolase


(Homo sapiens (Human))		BDBM227632
PNG
(MTH1 inhibitor, 53)
Show SMILES Nc1nc(NCc2ccccc2)c2nc[nH]c2n1
Show InChI InChI=1S/C12H12N6/c13-12-17-10(9-11(18-12)16-7-15-9)14-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H4,13,14,15,16,17,18)
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n/an/a 1.13E+3n/an/an/an/a7.5n/a



RIKEN Center for Life Science Technologies



Assay Description
Enzymatic reaction was initiated by adding either 8-oxo-dGTP (13.2 μm; TriLink BioTechnologies) or 2-OH-dATP (8.3 μm; Jena Bioscience) to r...

Chem Biol Drug Des 89: 862-869 (2017)


Article DOI: 10.1111/cbdd.12909
BindingDB Entry DOI: 10.7270/Q24748RZ
More data for this
Ligand-Target Pair
Oxidized purine nucleoside triphosphate hydrolase


(Homo sapiens (Human))		BDBM227636
PNG
(MTH1 inhibitor, 123)
Show SMILES CC(C)OCCCNc1nc(N)nc2[nH]cnc12
Show InChI InChI=1S/C11H18N6O/c1-7(2)18-5-3-4-13-9-8-10(15-6-14-8)17-11(12)16-9/h6-7H,3-5H2,1-2H3,(H4,12,13,14,15,16,17)
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n/an/a 1.90E+3n/an/an/an/a7.5n/a



RIKEN Center for Life Science Technologies



Assay Description
Enzymatic reaction was initiated by adding either 8-oxo-dGTP (13.2 μm; TriLink BioTechnologies) or 2-OH-dATP (8.3 μm; Jena Bioscience) to r...

Chem Biol Drug Des 89: 862-869 (2017)


Article DOI: 10.1111/cbdd.12909
BindingDB Entry DOI: 10.7270/Q24748RZ
More data for this
Ligand-Target Pair
Oxidized purine nucleoside triphosphate hydrolase


(Homo sapiens (Human))		BDBM227631
PNG
(MTH1 inhibitor, 14)
Show SMILES C(Cc1ccccc1)Nc1ncnc2[nH]cnc12
Show InChI InChI=1S/C13H13N5/c1-2-4-10(5-3-1)6-7-14-12-11-13(16-8-15-11)18-9-17-12/h1-5,8-9H,6-7H2,(H2,14,15,16,17,18)
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n/an/a 2.80E+3n/an/an/an/a7.5n/a



RIKEN Center for Life Science Technologies



Assay Description
Enzymatic reaction was initiated by adding either 8-oxo-dGTP (13.2 μm; TriLink BioTechnologies) or 2-OH-dATP (8.3 μm; Jena Bioscience) to r...

Chem Biol Drug Des 89: 862-869 (2017)


Article DOI: 10.1111/cbdd.12909
BindingDB Entry DOI: 10.7270/Q24748RZ
More data for this
Ligand-Target Pair
Oxidized purine nucleoside triphosphate hydrolase


(Homo sapiens (Human))		BDBM227636
PNG
(MTH1 inhibitor, 123)
Show SMILES CC(C)OCCCNc1nc(N)nc2[nH]cnc12
Show InChI InChI=1S/C11H18N6O/c1-7(2)18-5-3-4-13-9-8-10(15-6-14-8)17-11(12)16-9/h6-7H,3-5H2,1-2H3,(H4,12,13,14,15,16,17)
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n/an/a 2.80E+3n/an/an/an/a7.5n/a



RIKEN Center for Life Science Technologies



Assay Description
Enzymatic reaction was initiated by adding either 8-oxo-dGTP (13.2 μm; TriLink BioTechnologies) or 2-OH-dATP (8.3 μm; Jena Bioscience) to r...

Chem Biol Drug Des 89: 862-869 (2017)


Article DOI: 10.1111/cbdd.12909
BindingDB Entry DOI: 10.7270/Q24748RZ
More data for this
Ligand-Target Pair
Oxidized purine nucleoside triphosphate hydrolase


(Homo sapiens (Human))		BDBM227631
PNG
(MTH1 inhibitor, 14)
Show SMILES C(Cc1ccccc1)Nc1ncnc2[nH]cnc12
Show InChI InChI=1S/C13H13N5/c1-2-4-10(5-3-1)6-7-14-12-11-13(16-8-15-11)18-9-17-12/h1-5,8-9H,6-7H2,(H2,14,15,16,17,18)
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n/an/a 3.90E+3n/an/an/an/a7.5n/a



RIKEN Center for Life Science Technologies



Assay Description
Enzymatic reaction was initiated by adding either 8-oxo-dGTP (13.2 μm; TriLink BioTechnologies) or 2-OH-dATP (8.3 μm; Jena Bioscience) to r...

Chem Biol Drug Des 89: 862-869 (2017)


Article DOI: 10.1111/cbdd.12909
BindingDB Entry DOI: 10.7270/Q24748RZ
More data for this
Ligand-Target Pair
Oxidized purine nucleoside triphosphate hydrolase


(Homo sapiens (Human))		BDBM227635
PNG
(MTH1 inhibitor, 122)
Show SMILES COCCNc1nc(N)nc2[nH]cnc12
Show InChI InChI=1S/C8H12N6O/c1-15-3-2-10-6-5-7(12-4-11-5)14-8(9)13-6/h4H,2-3H2,1H3,(H4,9,10,11,12,13,14)
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n/an/a 4.80E+3n/an/an/an/a7.5n/a



RIKEN Center for Life Science Technologies



Assay Description
Enzymatic reaction was initiated by adding either 8-oxo-dGTP (13.2 μm; TriLink BioTechnologies) or 2-OH-dATP (8.3 μm; Jena Bioscience) to r...

Chem Biol Drug Des 89: 862-869 (2017)


Article DOI: 10.1111/cbdd.12909
BindingDB Entry DOI: 10.7270/Q24748RZ
More data for this
Ligand-Target Pair
Oxidized purine nucleoside triphosphate hydrolase


(Homo sapiens (Human))		BDBM227635
PNG
(MTH1 inhibitor, 122)
Show SMILES COCCNc1nc(N)nc2[nH]cnc12
Show InChI InChI=1S/C8H12N6O/c1-15-3-2-10-6-5-7(12-4-11-5)14-8(9)13-6/h4H,2-3H2,1H3,(H4,9,10,11,12,13,14)
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n/an/a 9.10E+3n/an/an/an/a7.5n/a



RIKEN Center for Life Science Technologies



Assay Description
Enzymatic reaction was initiated by adding either 8-oxo-dGTP (13.2 μm; TriLink BioTechnologies) or 2-OH-dATP (8.3 μm; Jena Bioscience) to r...

Chem Biol Drug Des 89: 862-869 (2017)


Article DOI: 10.1111/cbdd.12909
BindingDB Entry DOI: 10.7270/Q24748RZ
More data for this
Ligand-Target Pair
Oxidized purine nucleoside triphosphate hydrolase


(Homo sapiens (Human))		BDBM227637
PNG
(MTH1 inhibitor, 131)
Show SMILES C\C(CO)=C/CNc1ncnc2[nH]cnc12
Show InChI InChI=1S/C10H13N5O/c1-7(4-16)2-3-11-9-8-10(13-5-12-8)15-6-14-9/h2,5-6,16H,3-4H2,1H3,(H2,11,12,13,14,15)/b7-2+
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n/an/a 1.40E+4n/an/an/an/a7.5n/a



RIKEN Center for Life Science Technologies



Assay Description
Enzymatic reaction was initiated by adding either 8-oxo-dGTP (13.2 μm; TriLink BioTechnologies) or 2-OH-dATP (8.3 μm; Jena Bioscience) to r...

Chem Biol Drug Des 89: 862-869 (2017)


Article DOI: 10.1111/cbdd.12909
BindingDB Entry DOI: 10.7270/Q24748RZ
More data for this
Ligand-Target Pair
Oxidized purine nucleoside triphosphate hydrolase


(Homo sapiens (Human))		BDBM181147
PNG
(MTH1 inhibitor, 88 | US9138393, Kinetin | US914453...)
Show SMILES C(Nc1ncnc2[nH]cnc12)c1ccco1
Show InChI InChI=1S/C10H9N5O/c1-2-7(16-3-1)4-11-9-8-10(13-5-12-8)15-6-14-9/h1-3,5-6H,4H2,(H2,11,12,13,14,15)
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n/an/a 2.00E+4n/an/an/an/a7.5n/a



RIKEN Center for Life Science Technologies



Assay Description
Enzymatic reaction was initiated by adding either 8-oxo-dGTP (13.2 μm; TriLink BioTechnologies) or 2-OH-dATP (8.3 μm; Jena Bioscience) to r...

Chem Biol Drug Des 89: 862-869 (2017)


Article DOI: 10.1111/cbdd.12909
BindingDB Entry DOI: 10.7270/Q24748RZ
More data for this
Ligand-Target Pair
Oxidized purine nucleoside triphosphate hydrolase


(Homo sapiens (Human))		BDBM227633
PNG
(MTH1 inhibitor, 120)
Show SMILES C(Nc1ncnc2[nH]cnc12)c1ccc2OCOc2c1
Show InChI InChI=1S/C13H11N5O2/c1-2-9-10(20-7-19-9)3-8(1)4-14-12-11-13(16-5-15-11)18-6-17-12/h1-3,5-6H,4,7H2,(H2,14,15,16,17,18)
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n/an/a 2.00E+4n/an/an/an/a7.5n/a



RIKEN Center for Life Science Technologies



Assay Description
Enzymatic reaction was initiated by adding either 8-oxo-dGTP (13.2 μm; TriLink BioTechnologies) or 2-OH-dATP (8.3 μm; Jena Bioscience) to r...

Chem Biol Drug Des 89: 862-869 (2017)


Article DOI: 10.1111/cbdd.12909
BindingDB Entry DOI: 10.7270/Q24748RZ
More data for this
Ligand-Target Pair
Oxidized purine nucleoside triphosphate hydrolase


(Homo sapiens (Human))		BDBM227637
PNG
(MTH1 inhibitor, 131)
Show SMILES C\C(CO)=C/CNc1ncnc2[nH]cnc12
Show InChI InChI=1S/C10H13N5O/c1-7(4-16)2-3-11-9-8-10(13-5-12-8)15-6-14-9/h2,5-6,16H,3-4H2,1H3,(H2,11,12,13,14,15)/b7-2+
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n/an/a 2.20E+4n/an/an/an/a7.5n/a



RIKEN Center for Life Science Technologies



Assay Description
Enzymatic reaction was initiated by adding either 8-oxo-dGTP (13.2 μm; TriLink BioTechnologies) or 2-OH-dATP (8.3 μm; Jena Bioscience) to r...

Chem Biol Drug Des 89: 862-869 (2017)


Article DOI: 10.1111/cbdd.12909
BindingDB Entry DOI: 10.7270/Q24748RZ
More data for this
Ligand-Target Pair
Oxidized purine nucleoside triphosphate hydrolase


(Homo sapiens (Human))		BDBM227633
PNG
(MTH1 inhibitor, 120)
Show SMILES C(Nc1ncnc2[nH]cnc12)c1ccc2OCOc2c1
Show InChI InChI=1S/C13H11N5O2/c1-2-9-10(20-7-19-9)3-8(1)4-14-12-11-13(16-5-15-11)18-6-17-12/h1-3,5-6H,4,7H2,(H2,14,15,16,17,18)
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n/an/a 2.80E+4n/an/an/an/a7.5n/a



RIKEN Center for Life Science Technologies



Assay Description
Enzymatic reaction was initiated by adding either 8-oxo-dGTP (13.2 μm; TriLink BioTechnologies) or 2-OH-dATP (8.3 μm; Jena Bioscience) to r...

Chem Biol Drug Des 89: 862-869 (2017)


Article DOI: 10.1111/cbdd.12909
BindingDB Entry DOI: 10.7270/Q24748RZ
More data for this
Ligand-Target Pair
Oxidized purine nucleoside triphosphate hydrolase


(Homo sapiens (Human))		BDBM181147
PNG
(MTH1 inhibitor, 88 | US9138393, Kinetin | US914453...)
Show SMILES C(Nc1ncnc2[nH]cnc12)c1ccco1
Show InChI InChI=1S/C10H9N5O/c1-2-7(16-3-1)4-11-9-8-10(13-5-12-8)15-6-14-9/h1-3,5-6H,4H2,(H2,11,12,13,14,15)
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n/an/a 2.90E+4n/an/an/an/a7.5n/a



RIKEN Center for Life Science Technologies



Assay Description
Enzymatic reaction was initiated by adding either 8-oxo-dGTP (13.2 μm; TriLink BioTechnologies) or 2-OH-dATP (8.3 μm; Jena Bioscience) to r...

Chem Biol Drug Des 89: 862-869 (2017)


Article DOI: 10.1111/cbdd.12909
BindingDB Entry DOI: 10.7270/Q24748RZ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%