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Compile Data Set for Download or QSAR

Found 90 hits with Last Name = 'fujioka' and Initial = 'a'   
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
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial


(Homo sapiens (Human))
BDBM50173539
PNG
(1-(4-Hydroxy-5-trityloxymethyl-tetrahydro-furan-2-...)
Show SMILES O[C@H]1C[C@@H](O[C@@H]1COC(c1ccccc1)(c1ccccc1)c1ccccc1)n1ccc(=O)[nH]c1=O |r|
Show InChI InChI=1S/C28H26N2O5/c31-23-18-26(30-17-16-25(32)29-27(30)33)35-24(23)19-34-28(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-17,23-24,26,31H,18-19H2,(H,29,32,33)
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1.80E+4n/an/an/an/an/an/an/an/a



Taiho Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human dUTPase assessed as production of [5-3H]dUMP from [5-3H]dUTP after 15 mins measured by HPLC analysis


J Med Chem 55: 2970-80 (2012)


Article DOI: 10.1021/jm201628y
BindingDB Entry DOI: 10.7270/Q2C82BB5
More data for this
Ligand-Target Pair
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial


(Homo sapiens (Human))
BDBM101748
PNG
(CHEMBL2057911 | US8530490, 8)
Show SMILES C[C@@H](NS(=O)(=O)CCCOCn1ccc(=O)[nH]c1=O)c1ccc(F)c(OCC2CC2)c1 |r|
Show InChI InChI=1S/C20H26FN3O6S/c1-14(16-5-6-17(21)18(11-16)30-12-15-3-4-15)23-31(27,28)10-2-9-29-13-24-8-7-19(25)22-20(24)26/h5-8,11,14-15,23H,2-4,9-10,12-13H2,1H3,(H,22,25,26)/t14-/m1/s1
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n/an/a 21n/an/an/an/an/an/a



Taiho Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human dUTPase assessed as production of [5-3H]dUMP from [5-3H]dUTP after 15 mins measured by HPLC analysis


J Med Chem 55: 2970-80 (2012)


Article DOI: 10.1021/jm201628y
BindingDB Entry DOI: 10.7270/Q2C82BB5
More data for this
Ligand-Target Pair
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial


(Homo sapiens (Human))
BDBM50391352
PNG
(CHEMBL2147981)
Show SMILES CC(C)(CC\C=C\Cn1ccc(=O)[nH]c1=O)NS(=O)(=O)c1cccc(OCC(F)F)c1
Show InChI InChI=1S/C20H25F2N3O5S/c1-20(2,10-4-3-5-11-25-12-9-18(26)23-19(25)27)24-31(28,29)16-8-6-7-15(13-16)30-14-17(21)22/h3,5-9,12-13,17,24H,4,10-11,14H2,1-2H3,(H,23,26,27)/b5-3+
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n/an/a 26n/an/an/an/an/an/a



Taiho Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human dUTPase-mediated formation of [5-3H]dUMP expressed in Escherichia coli BL21 (DE3) after 15 mins by HPLC analysis


J Med Chem 55: 5483-96 (2012)


Article DOI: 10.1021/jm300416h
BindingDB Entry DOI: 10.7270/Q2C53MZW
More data for this
Ligand-Target Pair
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial


(Homo sapiens (Human))
BDBM50391350
PNG
(CHEMBL2147979)
Show SMILES CC(C)(CC\C=C\Cn1ccc(=O)[nH]c1=O)NS(=O)(=O)c1cccc(OCC2CC2)c1
Show InChI InChI=1S/C22H29N3O5S/c1-22(2,12-4-3-5-13-25-14-11-20(26)23-21(25)27)24-31(28,29)19-8-6-7-18(15-19)30-16-17-9-10-17/h3,5-8,11,14-15,17,24H,4,9-10,12-13,16H2,1-2H3,(H,23,26,27)/b5-3+
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n/an/a 28n/an/an/an/an/an/a



Taiho Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human dUTPase-mediated formation of [5-3H]dUMP expressed in Escherichia coli BL21 (DE3) after 15 mins by HPLC analysis


J Med Chem 55: 5483-96 (2012)


Article DOI: 10.1021/jm300416h
BindingDB Entry DOI: 10.7270/Q2C53MZW
More data for this
Ligand-Target Pair
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial


(Homo sapiens (Human))
BDBM50395031
PNG
(CHEMBL2163854)
Show SMILES CC[C@@H](Cn1nncc1CCCCn1ccc(=O)[nH]c1=O)c1cccc(OCC2CC2)c1 |r|
Show InChI InChI=1S/C24H31N5O3/c1-2-19(20-6-5-8-22(14-20)32-17-18-9-10-18)16-29-21(15-25-27-29)7-3-4-12-28-13-11-23(30)26-24(28)31/h5-6,8,11,13-15,18-19H,2-4,7,9-10,12,16-17H2,1H3,(H,26,30,31)/t19-/m0/s1
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n/an/a 29n/an/an/an/an/an/a



Taiho Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human dUTPase assessed as reduction in [5-3H]dUMP production incubated for 15 mins by HPLC


J Med Chem 55: 6427-37 (2012)


Article DOI: 10.1021/jm3004174
BindingDB Entry DOI: 10.7270/Q2XS5WJR
More data for this
Ligand-Target Pair
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial


(Homo sapiens (Human))
BDBM50391347
PNG
(CHEMBL2147976)
Show SMILES CC(C)(NS(=O)(=O)c1cccc(OC2CCCC2)c1)c1ccc(Cn2ccc(=O)[nH]c2=O)cc1
Show InChI InChI=1S/C25H29N3O5S/c1-25(2,19-12-10-18(11-13-19)17-28-15-14-23(29)26-24(28)30)27-34(31,32)22-9-5-8-21(16-22)33-20-6-3-4-7-20/h5,8-16,20,27H,3-4,6-7,17H2,1-2H3,(H,26,29,30)
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Taiho Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human dUTPase-mediated formation of [5-3H]dUMP expressed in Escherichia coli BL21 (DE3) after 15 mins by HPLC analysis


J Med Chem 55: 5483-96 (2012)


Article DOI: 10.1021/jm300416h
BindingDB Entry DOI: 10.7270/Q2C53MZW
More data for this
Ligand-Target Pair
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial


(Homo sapiens (Human))
BDBM50391351
PNG
(CHEMBL2147980)
Show SMILES CC(C)(CC\C=C\Cn1ccc(=O)[nH]c1=O)NS(=O)(=O)c1cccc(OC2CCCC2)c1
Show InChI InChI=1S/C23H31N3O5S/c1-23(2,14-6-3-7-15-26-16-13-21(27)24-22(26)28)25-32(29,30)20-12-8-11-19(17-20)31-18-9-4-5-10-18/h3,7-8,11-13,16-18,25H,4-6,9-10,14-15H2,1-2H3,(H,24,27,28)/b7-3+
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n/an/a 33n/an/an/an/an/an/a



Taiho Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human dUTPase-mediated formation of [5-3H]dUMP expressed in Escherichia coli BL21 (DE3) after 15 mins by HPLC analysis


J Med Chem 55: 5483-96 (2012)


Article DOI: 10.1021/jm300416h
BindingDB Entry DOI: 10.7270/Q2C53MZW
More data for this
Ligand-Target Pair
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial


(Homo sapiens (Human))
BDBM101889
PNG
(CHEMBL2057599 | US8530490, 159)
Show SMILES CC(C)(CCCOCn1ccc(=O)[nH]c1=O)NS(=O)(=O)c1cccc(OCC2CC2)c1
Show InChI InChI=1S/C21H29N3O6S/c1-21(2,10-4-12-29-15-24-11-9-19(25)22-20(24)26)23-31(27,28)18-6-3-5-17(13-18)30-14-16-7-8-16/h3,5-6,9,11,13,16,23H,4,7-8,10,12,14-15H2,1-2H3,(H,22,25,26)
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Taiho Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human dUTPase-mediated formation of [5-3H]dUMP expressed in Escherichia coli BL21 (DE3) after 15 mins by HPLC analysis


J Med Chem 55: 5483-96 (2012)


Article DOI: 10.1021/jm300416h
BindingDB Entry DOI: 10.7270/Q2C53MZW
More data for this
Ligand-Target Pair
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial


(Homo sapiens (Human))
BDBM101889
PNG
(CHEMBL2057599 | US8530490, 159)
Show SMILES CC(C)(CCCOCn1ccc(=O)[nH]c1=O)NS(=O)(=O)c1cccc(OCC2CC2)c1
Show InChI InChI=1S/C21H29N3O6S/c1-21(2,10-4-12-29-15-24-11-9-19(25)22-20(24)26)23-31(27,28)18-6-3-5-17(13-18)30-14-16-7-8-16/h3,5-6,9,11,13,16,23H,4,7-8,10,12,14-15H2,1-2H3,(H,22,25,26)
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n/an/a 35n/an/an/an/an/an/a



Taiho Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human dUTPase assessed as production of [5-3H]dUMP from [5-3H]dUTP after 15 mins measured by HPLC analysis


J Med Chem 55: 2970-80 (2012)


Article DOI: 10.1021/jm201628y
BindingDB Entry DOI: 10.7270/Q2C82BB5
More data for this
Ligand-Target Pair
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial


(Homo sapiens (Human))
BDBM101847
PNG
(CHEMBL2147985 | US8530490, 110)
Show SMILES C[C@@H](NS(=O)(=O)CC\C=C\Cn1ccc(=O)[nH]c1=O)c1cccc(OCC2CC2)c1 |r|
Show InChI InChI=1S/C21H27N3O5S/c1-16(18-6-5-7-19(14-18)29-15-17-8-9-17)23-30(27,28)13-4-2-3-11-24-12-10-20(25)22-21(24)26/h2-3,5-7,10,12,14,16-17,23H,4,8-9,11,13,15H2,1H3,(H,22,25,26)/b3-2+/t16-/m1/s1
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n/an/a 39n/an/an/an/an/an/a



Taiho Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human dUTPase-mediated formation of [5-3H]dUMP expressed in Escherichia coli BL21 (DE3) after 15 mins by HPLC analysis


J Med Chem 55: 5483-96 (2012)


Article DOI: 10.1021/jm300416h
BindingDB Entry DOI: 10.7270/Q2C53MZW
More data for this
Ligand-Target Pair
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial


(Homo sapiens (Human))
BDBM101763
PNG
(CHEMBL2057909 | US8530490, 23)
Show SMILES C[C@@H](NS(=O)(=O)CCCOCn1ccc(=O)[nH]c1=O)c1cccc(OCC2CC2)c1 |r|
Show InChI InChI=1S/C20H27N3O6S/c1-15(17-4-2-5-18(12-17)29-13-16-6-7-16)22-30(26,27)11-3-10-28-14-23-9-8-19(24)21-20(23)25/h2,4-5,8-9,12,15-16,22H,3,6-7,10-11,13-14H2,1H3,(H,21,24,25)/t15-/m1/s1
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Taiho Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human dUTPase-mediated formation of [5-3H]dUMP expressed in Escherichia coli BL21 (DE3) after 15 mins by HPLC analysis


J Med Chem 55: 5483-96 (2012)


Article DOI: 10.1021/jm300416h
BindingDB Entry DOI: 10.7270/Q2C53MZW
More data for this
Ligand-Target Pair
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial


(Homo sapiens (Human))
BDBM101763
PNG
(CHEMBL2057909 | US8530490, 23)
Show SMILES C[C@@H](NS(=O)(=O)CCCOCn1ccc(=O)[nH]c1=O)c1cccc(OCC2CC2)c1 |r|
Show InChI InChI=1S/C20H27N3O6S/c1-15(17-4-2-5-18(12-17)29-13-16-6-7-16)22-30(26,27)11-3-10-28-14-23-9-8-19(24)21-20(23)25/h2,4-5,8-9,12,15-16,22H,3,6-7,10-11,13-14H2,1H3,(H,21,24,25)/t15-/m1/s1
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Taiho Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human dUTPase assessed as production of [5-3H]dUMP from [5-3H]dUTP after 15 mins measured by HPLC analysis


J Med Chem 55: 2970-80 (2012)


Article DOI: 10.1021/jm201628y
BindingDB Entry DOI: 10.7270/Q2C82BB5
More data for this
Ligand-Target Pair
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial


(Homo sapiens (Human))
BDBM101842
PNG
(CHEMBL2147986 | US8530490, 105)
Show SMILES C[C@@H](NS(=O)(=O)CC\C=C\Cn1ccc(=O)[nH]c1=O)c1cccc(OC2CCCC2)c1 |r|
Show InChI InChI=1S/C22H29N3O5S/c1-17(18-8-7-11-20(16-18)30-19-9-3-4-10-19)24-31(28,29)15-6-2-5-13-25-14-12-21(26)23-22(25)27/h2,5,7-8,11-12,14,16-17,19,24H,3-4,6,9-10,13,15H2,1H3,(H,23,26,27)/b5-2+/t17-/m1/s1
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Taiho Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human dUTPase-mediated formation of [5-3H]dUMP expressed in Escherichia coli BL21 (DE3) after 15 mins by HPLC analysis


J Med Chem 55: 5483-96 (2012)


Article DOI: 10.1021/jm300416h
BindingDB Entry DOI: 10.7270/Q2C53MZW
More data for this
Ligand-Target Pair
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial


(Homo sapiens (Human))
BDBM50395047
PNG
(CHEMBL2163852)
Show SMILES C[C@@H](Cn1nncc1CCCCn1ccc(=O)[nH]c1=O)c1cccc(OCC2CC2)c1 |r|
Show InChI InChI=1S/C23H29N5O3/c1-17(19-5-4-7-21(13-19)31-16-18-8-9-18)15-28-20(14-24-26-28)6-2-3-11-27-12-10-22(29)25-23(27)30/h4-5,7,10,12-14,17-18H,2-3,6,8-9,11,15-16H2,1H3,(H,25,29,30)/t17-/m0/s1
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Taiho Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human dUTPase assessed as reduction in [5-3H]dUMP production incubated for 15 mins by HPLC


J Med Chem 55: 6427-37 (2012)


Article DOI: 10.1021/jm3004174
BindingDB Entry DOI: 10.7270/Q2XS5WJR
More data for this
Ligand-Target Pair
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial


(Homo sapiens (Human))
BDBM50388166
PNG
(CHEMBL2057910)
Show SMILES C[C@H](NS(=O)(=O)CCCOCn1ccc(=O)[nH]c1=O)c1cccc(OCC2CC2)c1 |r|
Show InChI InChI=1S/C20H27N3O6S/c1-15(17-4-2-5-18(12-17)29-13-16-6-7-16)22-30(26,27)11-3-10-28-14-23-9-8-19(24)21-20(23)25/h2,4-5,8-9,12,15-16,22H,3,6-7,10-11,13-14H2,1H3,(H,21,24,25)/t15-/m0/s1
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Taiho Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human dUTPase assessed as production of [5-3H]dUMP from [5-3H]dUTP after 15 mins measured by HPLC analysis


J Med Chem 55: 2970-80 (2012)


Article DOI: 10.1021/jm201628y
BindingDB Entry DOI: 10.7270/Q2C82BB5
More data for this
Ligand-Target Pair
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial


(Homo sapiens (Human))
BDBM50395030
PNG
(CHEMBL2163866)
Show SMILES CC[C@@](O)(Cn1nncc1CCCCn1ccc(=O)[nH]c1=O)c1ccc(F)c(OCC2CC2)c1 |r|
Show InChI InChI=1S/C24H30FN5O4/c1-2-24(33,18-8-9-20(25)21(13-18)34-15-17-6-7-17)16-30-19(14-26-28-30)5-3-4-11-29-12-10-22(31)27-23(29)32/h8-10,12-14,17,33H,2-7,11,15-16H2,1H3,(H,27,31,32)/t24-/m1/s1
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n/an/a 67n/an/an/an/an/an/a



Taiho Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human dUTPase assessed as reduction in [5-3H]dUMP production incubated for 15 mins by HPLC


J Med Chem 55: 6427-37 (2012)


Article DOI: 10.1021/jm3004174
BindingDB Entry DOI: 10.7270/Q2XS5WJR
More data for this
Ligand-Target Pair
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial


(Homo sapiens (Human))
BDBM101906
PNG
(CHEMBL2147975 | US8530490, 178)
Show SMILES CC(C)(NS(=O)(=O)c1cccc(OCC2CC2)c1)c1ccc(Cn2ccc(=O)[nH]c2=O)cc1
Show InChI InChI=1S/C24H27N3O5S/c1-24(2,19-10-8-17(9-11-19)15-27-13-12-22(28)25-23(27)29)26-33(30,31)21-5-3-4-20(14-21)32-16-18-6-7-18/h3-5,8-14,18,26H,6-7,15-16H2,1-2H3,(H,25,28,29)
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Taiho Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human dUTPase-mediated formation of [5-3H]dUMP expressed in Escherichia coli BL21 (DE3) after 15 mins by HPLC analysis


J Med Chem 55: 5483-96 (2012)


Article DOI: 10.1021/jm300416h
BindingDB Entry DOI: 10.7270/Q2C53MZW
More data for this
Ligand-Target Pair
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial


(Homo sapiens (Human))
BDBM50391348
PNG
(CHEMBL2147977)
Show SMILES CC(C)(NS(=O)(=O)c1cccc(OCC(F)F)c1)c1ccc(Cn2ccc(=O)[nH]c2=O)cc1
Show InChI InChI=1S/C22H23F2N3O5S/c1-22(2,26-33(30,31)18-5-3-4-17(12-18)32-14-19(23)24)16-8-6-15(7-9-16)13-27-11-10-20(28)25-21(27)29/h3-12,19,26H,13-14H2,1-2H3,(H,25,28,29)
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n/an/a 73n/an/an/an/an/an/a



Taiho Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human dUTPase-mediated formation of [5-3H]dUMP expressed in Escherichia coli BL21 (DE3) after 15 mins by HPLC analysis


J Med Chem 55: 5483-96 (2012)


Article DOI: 10.1021/jm300416h
BindingDB Entry DOI: 10.7270/Q2C53MZW
More data for this
Ligand-Target Pair
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial


(Homo sapiens (Human))
BDBM50391341
PNG
(CHEMBL2147987)
Show SMILES C[C@@H](NS(=O)(=O)CC\C=C\Cn1ccc(=O)[nH]c1=O)c1cccc(OCC(F)F)c1 |r|
Show InChI InChI=1S/C19H23F2N3O5S/c1-14(15-6-5-7-16(12-15)29-13-17(20)21)23-30(27,28)11-4-2-3-9-24-10-8-18(25)22-19(24)26/h2-3,5-8,10,12,14,17,23H,4,9,11,13H2,1H3,(H,22,25,26)/b3-2+/t14-/m1/s1
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Taiho Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human dUTPase-mediated formation of [5-3H]dUMP expressed in Escherichia coli BL21 (DE3) after 15 mins by HPLC analysis


J Med Chem 55: 5483-96 (2012)


Article DOI: 10.1021/jm300416h
BindingDB Entry DOI: 10.7270/Q2C53MZW
More data for this
Ligand-Target Pair
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial


(Homo sapiens (Human))
BDBM50395037
PNG
(CHEMBL2163863)
Show SMILES CC[C@@](O)(Cn1nncc1CCCCn1ccc(=O)[nH]c1=O)c1cccc(OCC2CCC2)c1 |r|
Show InChI InChI=1S/C25H33N5O4/c1-2-25(33,20-9-6-11-22(15-20)34-17-19-7-5-8-19)18-30-21(16-26-28-30)10-3-4-13-29-14-12-23(31)27-24(29)32/h6,9,11-12,14-16,19,33H,2-5,7-8,10,13,17-18H2,1H3,(H,27,31,32)/t25-/m1/s1
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Taiho Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human dUTPase assessed as reduction in [5-3H]dUMP production incubated for 15 mins by HPLC


J Med Chem 55: 6427-37 (2012)


Article DOI: 10.1021/jm3004174
BindingDB Entry DOI: 10.7270/Q2XS5WJR
More data for this
Ligand-Target Pair
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial


(Homo sapiens (Human))
BDBM50395044
PNG
(CHEMBL2163856)
Show SMILES CC[C@@](O)(Cn1nncc1CCCCn1ccc(=O)[nH]c1=O)c1cccc(OCC2CC2)c1 |r|
Show InChI InChI=1S/C24H31N5O4/c1-2-24(32,19-6-5-8-21(14-19)33-16-18-9-10-18)17-29-20(15-25-27-29)7-3-4-12-28-13-11-22(30)26-23(28)31/h5-6,8,11,13-15,18,32H,2-4,7,9-10,12,16-17H2,1H3,(H,26,30,31)/t24-/m1/s1
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Taiho Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human dUTPase assessed as reduction in [5-3H]dUMP production incubated for 15 mins by HPLC


J Med Chem 55: 6427-37 (2012)


Article DOI: 10.1021/jm3004174
BindingDB Entry DOI: 10.7270/Q2XS5WJR
More data for this
Ligand-Target Pair
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial


(Homo sapiens (Human))
BDBM50395035
PNG
(CHEMBL2163865)
Show SMILES CC[C@@](O)(Cn1nncc1CCOCn1ccc(=O)[nH]c1=O)c1cccc(OCC2CC2)c1 |r|
Show InChI InChI=1S/C23H29N5O5/c1-2-23(31,18-4-3-5-20(12-18)33-14-17-6-7-17)15-28-19(13-24-26-28)9-11-32-16-27-10-8-21(29)25-22(27)30/h3-5,8,10,12-13,17,31H,2,6-7,9,11,14-16H2,1H3,(H,25,29,30)/t23-/m1/s1
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Taiho Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human dUTPase assessed as reduction in [5-3H]dUMP production incubated for 15 mins by HPLC


J Med Chem 55: 6427-37 (2012)


Article DOI: 10.1021/jm3004174
BindingDB Entry DOI: 10.7270/Q2XS5WJR
More data for this
Ligand-Target Pair
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial


(Homo sapiens (Human))
BDBM50395032
PNG
(CHEMBL2163851)
Show SMILES O=c1ccn(CCCCc2cnnn2CCc2cccc(OCC3CC3)c2)c(=O)[nH]1
Show InChI InChI=1S/C22H27N5O3/c28-21-10-12-26(22(29)24-21)11-2-1-5-19-15-23-25-27(19)13-9-17-4-3-6-20(14-17)30-16-18-7-8-18/h3-4,6,10,12,14-15,18H,1-2,5,7-9,11,13,16H2,(H,24,28,29)
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Taiho Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human dUTPase assessed as reduction in [5-3H]dUMP production incubated for 15 mins by HPLC


J Med Chem 55: 6427-37 (2012)


Article DOI: 10.1021/jm3004174
BindingDB Entry DOI: 10.7270/Q2XS5WJR
More data for this
Ligand-Target Pair
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial


(Homo sapiens (Human))
BDBM50395043
PNG
(CHEMBL2163857)
Show SMILES CC[C@@](O)(Cn1nncc1CCCCn1ccc(=O)[nH]c1=O)c1cccc(OC2CCCC2)c1 |r|
Show InChI InChI=1S/C25H33N5O4/c1-2-25(33,19-8-7-12-22(16-19)34-21-10-3-4-11-21)18-30-20(17-26-28-30)9-5-6-14-29-15-13-23(31)27-24(29)32/h7-8,12-13,15-17,21,33H,2-6,9-11,14,18H2,1H3,(H,27,31,32)/t25-/m1/s1
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Taiho Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human dUTPase assessed as reduction in [5-3H]dUMP production incubated for 15 mins by HPLC


J Med Chem 55: 6427-37 (2012)


Article DOI: 10.1021/jm3004174
BindingDB Entry DOI: 10.7270/Q2XS5WJR
More data for this
Ligand-Target Pair
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial


(Homo sapiens (Human))
BDBM50386636
PNG
(CHEMBL1234349)
Show SMILES OC([C@H]1CCCN1S(=O)(=O)CCCn1ccc(=O)[nH]c1=O)(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C24H27N3O5S/c28-22-14-17-26(23(29)25-22)15-8-18-33(31,32)27-16-7-13-21(27)24(30,19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-6,9-12,14,17,21,30H,7-8,13,15-16,18H2,(H,25,28,29)/t21-/m1/s1
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n/an/a 320n/an/an/an/an/an/a



Taiho Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human dUTPase assessed as production of [5-3H]dUMP from [5-3H]dUTP after 15 mins measured by HPLC analysis


J Med Chem 55: 2970-80 (2012)


Article DOI: 10.1021/jm201628y
BindingDB Entry DOI: 10.7270/Q2C82BB5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial


(Homo sapiens (Human))
BDBM101766
PNG
(CHEMBL2057600 | US8530490, 26)
Show SMILES CC(C)(NS(=O)(=O)CCCOCn1ccc(=O)[nH]c1=O)c1cccc(OCC2CC2)c1
Show InChI InChI=1S/C21H29N3O6S/c1-21(2,17-5-3-6-18(13-17)30-14-16-7-8-16)23-31(27,28)12-4-11-29-15-24-10-9-19(25)22-20(24)26/h3,5-6,9-10,13,16,23H,4,7-8,11-12,14-15H2,1-2H3,(H,22,25,26)
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n/an/a 340n/an/an/an/an/an/a



Taiho Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human dUTPase-mediated formation of [5-3H]dUMP expressed in Escherichia coli BL21 (DE3) after 15 mins by HPLC analysis


J Med Chem 55: 5483-96 (2012)


Article DOI: 10.1021/jm300416h
BindingDB Entry DOI: 10.7270/Q2C53MZW
More data for this
Ligand-Target Pair
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial


(Homo sapiens (Human))
BDBM50391349
PNG
(CHEMBL2147978)
Show SMILES COc1cccc(c1)S(=O)(=O)NC(C)(C)CC\C=C\Cn1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C19H25N3O5S/c1-19(2,21-28(25,26)16-9-7-8-15(14-16)27-3)11-5-4-6-12-22-13-10-17(23)20-18(22)24/h4,6-10,13-14,21H,5,11-12H2,1-3H3,(H,20,23,24)/b6-4+
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Taiho Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human dUTPase-mediated formation of [5-3H]dUMP expressed in Escherichia coli BL21 (DE3) after 15 mins by HPLC analysis


J Med Chem 55: 5483-96 (2012)


Article DOI: 10.1021/jm300416h
BindingDB Entry DOI: 10.7270/Q2C53MZW
More data for this
Ligand-Target Pair
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial


(Homo sapiens (Human))
BDBM101766
PNG
(CHEMBL2057600 | US8530490, 26)
Show SMILES CC(C)(NS(=O)(=O)CCCOCn1ccc(=O)[nH]c1=O)c1cccc(OCC2CC2)c1
Show InChI InChI=1S/C21H29N3O6S/c1-21(2,17-5-3-6-18(13-17)30-14-16-7-8-16)23-31(27,28)12-4-11-29-15-24-10-9-19(25)22-20(24)26/h3,5-6,9-10,13,16,23H,4,7-8,11-12,14-15H2,1-2H3,(H,22,25,26)
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Taiho Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human dUTPase assessed as production of [5-3H]dUMP from [5-3H]dUTP after 15 mins measured by HPLC analysis


J Med Chem 55: 2970-80 (2012)


Article DOI: 10.1021/jm201628y
BindingDB Entry DOI: 10.7270/Q2C82BB5
More data for this
Ligand-Target Pair
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial


(Homo sapiens (Human))
BDBM50395034
PNG
(CHEMBL2163867)
Show SMILES CC[C@](O)(Cn1nncc1CCCCn1ccc(=O)[nH]c1=O)c1ccc(F)c(OCC2CC2)c1 |r|
Show InChI InChI=1S/C24H30FN5O4/c1-2-24(33,18-8-9-20(25)21(13-18)34-15-17-6-7-17)16-30-19(14-26-28-30)5-3-4-11-29-12-10-22(31)27-23(29)32/h8-10,12-14,17,33H,2-7,11,15-16H2,1H3,(H,27,31,32)/t24-/m0/s1
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Taiho Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human dUTPase assessed as reduction in [5-3H]dUMP production incubated for 15 mins by HPLC


J Med Chem 55: 6427-37 (2012)


Article DOI: 10.1021/jm3004174
BindingDB Entry DOI: 10.7270/Q2XS5WJR
More data for this
Ligand-Target Pair
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial


(Homo sapiens (Human))
BDBM50395039
PNG
(CHEMBL2163861)
Show SMILES CC[C@@](O)(Cn1nncc1CCCCn1ccc(=O)[nH]c1=O)c1cccc(OCC=C)c1 |r|
Show InChI InChI=1S/C23H29N5O4/c1-3-14-32-20-10-7-8-18(15-20)23(31,4-2)17-28-19(16-24-26-28)9-5-6-12-27-13-11-21(29)25-22(27)30/h3,7-8,10-11,13,15-16,31H,1,4-6,9,12,14,17H2,2H3,(H,25,29,30)/t23-/m1/s1
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Taiho Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human dUTPase assessed as reduction in [5-3H]dUMP production incubated for 15 mins by HPLC


J Med Chem 55: 6427-37 (2012)


Article DOI: 10.1021/jm3004174
BindingDB Entry DOI: 10.7270/Q2XS5WJR
More data for this
Ligand-Target Pair
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial


(Homo sapiens (Human))
BDBM50395048
PNG
(CHEMBL2163877)
Show SMILES O=c1ccn(CCCCc2cnnn2CCc2ccccc2OCC2CC2)c(=O)[nH]1
Show InChI InChI=1S/C22H27N5O3/c28-21-11-13-26(22(29)24-21)12-4-3-6-19-15-23-25-27(19)14-10-18-5-1-2-7-20(18)30-16-17-8-9-17/h1-2,5,7,11,13,15,17H,3-4,6,8-10,12,14,16H2,(H,24,28,29)
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Taiho Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human dUTPase assessed as reduction in [5-3H]dUMP production incubated for 15 mins by HPLC


J Med Chem 55: 6427-37 (2012)


Article DOI: 10.1021/jm3004174
BindingDB Entry DOI: 10.7270/Q2XS5WJR
More data for this
Ligand-Target Pair
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial


(Homo sapiens (Human))
BDBM50391355
PNG
(CHEMBL2147984)
Show SMILES C[C@@H](NS(=O)(=O)c1ccc(Cn2ccc(=O)[nH]c2=O)cc1)c1cccc(OCC(F)F)c1 |r|
Show InChI InChI=1S/C21H21F2N3O5S/c1-14(16-3-2-4-17(11-16)31-13-19(22)23)25-32(29,30)18-7-5-15(6-8-18)12-26-10-9-20(27)24-21(26)28/h2-11,14,19,25H,12-13H2,1H3,(H,24,27,28)/t14-/m1/s1
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Taiho Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human dUTPase-mediated formation of [5-3H]dUMP expressed in Escherichia coli BL21 (DE3) after 15 mins by HPLC analysis


J Med Chem 55: 5483-96 (2012)


Article DOI: 10.1021/jm300416h
BindingDB Entry DOI: 10.7270/Q2C53MZW
More data for this
Ligand-Target Pair
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial


(Homo sapiens (Human))
BDBM50391354
PNG
(CHEMBL2147983)
Show SMILES C[C@@H](NS(=O)(=O)c1ccc(Cn2ccc(=O)[nH]c2=O)cc1)c1cccc(OC2CCCC2)c1 |r|
Show InChI InChI=1S/C24H27N3O5S/c1-17(19-5-4-8-21(15-19)32-20-6-2-3-7-20)26-33(30,31)22-11-9-18(10-12-22)16-27-14-13-23(28)25-24(27)29/h4-5,8-15,17,20,26H,2-3,6-7,16H2,1H3,(H,25,28,29)/t17-/m1/s1
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Taiho Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human dUTPase-mediated formation of [5-3H]dUMP expressed in Escherichia coli BL21 (DE3) after 15 mins by HPLC analysis


J Med Chem 55: 5483-96 (2012)


Article DOI: 10.1021/jm300416h
BindingDB Entry DOI: 10.7270/Q2C53MZW
More data for this
Ligand-Target Pair
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial


(Homo sapiens (Human))
BDBM50395040
PNG
(CHEMBL2163860)
Show SMILES CC[C@@](O)(Cn1nncc1CCCCn1ccc(=O)[nH]c1=O)c1cccc(OCC(C)C)c1 |r|
Show InChI InChI=1S/C24H33N5O4/c1-4-24(32,19-8-7-10-21(14-19)33-16-18(2)3)17-29-20(15-25-27-29)9-5-6-12-28-13-11-22(30)26-23(28)31/h7-8,10-11,13-15,18,32H,4-6,9,12,16-17H2,1-3H3,(H,26,30,31)/t24-/m1/s1
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Taiho Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human dUTPase assessed as reduction in [5-3H]dUMP production incubated for 15 mins by HPLC


J Med Chem 55: 6427-37 (2012)


Article DOI: 10.1021/jm3004174
BindingDB Entry DOI: 10.7270/Q2XS5WJR
More data for this
Ligand-Target Pair
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial


(Homo sapiens (Human))
BDBM50395041
PNG
(CHEMBL2163859)
Show SMILES CC[C@@](O)(Cn1nncc1CCCCn1ccc(=O)[nH]c1=O)c1cccc(OCC2(C)CC2)c1 |r|
Show InChI InChI=1S/C25H33N5O4/c1-3-25(33,19-7-6-9-21(15-19)34-18-24(2)11-12-24)17-30-20(16-26-28-30)8-4-5-13-29-14-10-22(31)27-23(29)32/h6-7,9-10,14-16,33H,3-5,8,11-13,17-18H2,1-2H3,(H,27,31,32)/t25-/m1/s1
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n/an/a 630n/an/an/an/an/an/a



Taiho Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human dUTPase assessed as reduction in [5-3H]dUMP production incubated for 15 mins by HPLC


J Med Chem 55: 6427-37 (2012)


Article DOI: 10.1021/jm3004174
BindingDB Entry DOI: 10.7270/Q2XS5WJR
More data for this
Ligand-Target Pair
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial


(Homo sapiens (Human))
BDBM50395045
PNG
(CHEMBL2163855)
Show SMILES CC[C@H](Cn1nncc1CCCCn1ccc(=O)[nH]c1=O)c1cccc(OCC2CC2)c1 |r|
Show InChI InChI=1S/C24H31N5O3/c1-2-19(20-6-5-8-22(14-20)32-17-18-9-10-18)16-29-21(15-25-27-29)7-3-4-12-28-13-11-23(30)26-24(28)31/h5-6,8,11,13-15,18-19H,2-4,7,9-10,12,16-17H2,1H3,(H,26,30,31)/t19-/m1/s1
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n/an/a 720n/an/an/an/an/an/a



Taiho Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human dUTPase assessed as reduction in [5-3H]dUMP production incubated for 15 mins by HPLC


J Med Chem 55: 6427-37 (2012)


Article DOI: 10.1021/jm3004174
BindingDB Entry DOI: 10.7270/Q2XS5WJR
More data for this
Ligand-Target Pair
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial


(Homo sapiens (Human))
BDBM50395056
PNG
(CHEMBL2163869)
Show SMILES O=c1ccn(CCCCc2cnnn2CC(c2ccccc2)c2ccccc2)c(=O)[nH]1
Show InChI InChI=1S/C24H25N5O2/c30-23-14-16-28(24(31)26-23)15-8-7-13-21-17-25-27-29(21)18-22(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-6,9-12,14,16-17,22H,7-8,13,15,18H2,(H,26,30,31)
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n/an/a 740n/an/an/an/an/an/a



Taiho Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human dUTPase assessed as reduction in [5-3H]dUMP production incubated for 15 mins by HPLC


J Med Chem 55: 6427-37 (2012)


Article DOI: 10.1021/jm3004174
BindingDB Entry DOI: 10.7270/Q2XS5WJR
More data for this
Ligand-Target Pair
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial


(Homo sapiens (Human))
BDBM50391353
PNG
(CHEMBL2147982)
Show SMILES C[C@@H](NS(=O)(=O)c1ccc(Cn2ccc(=O)[nH]c2=O)cc1)c1cccc(OCC2CC2)c1 |r|
Show InChI InChI=1S/C23H25N3O5S/c1-16(19-3-2-4-20(13-19)31-15-18-5-6-18)25-32(29,30)21-9-7-17(8-10-21)14-26-12-11-22(27)24-23(26)28/h2-4,7-13,16,18,25H,5-6,14-15H2,1H3,(H,24,27,28)/t16-/m1/s1
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n/an/a 820n/an/an/an/an/an/a



Taiho Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human dUTPase-mediated formation of [5-3H]dUMP expressed in Escherichia coli BL21 (DE3) after 15 mins by HPLC analysis


J Med Chem 55: 5483-96 (2012)


Article DOI: 10.1021/jm300416h
BindingDB Entry DOI: 10.7270/Q2C53MZW
More data for this
Ligand-Target Pair
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial


(Homo sapiens (Human))
BDBM50395046
PNG
(CHEMBL2163853)
Show SMILES C[C@H](Cn1nncc1CCCCn1ccc(=O)[nH]c1=O)c1cccc(OCC2CC2)c1 |r|
Show InChI InChI=1S/C23H29N5O3/c1-17(19-5-4-7-21(13-19)31-16-18-8-9-18)15-28-20(14-24-26-28)6-2-3-11-27-12-10-22(29)25-23(27)30/h4-5,7,10,12-14,17-18H,2-3,6,8-9,11,15-16H2,1H3,(H,25,29,30)/t17-/m1/s1
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n/an/a 870n/an/an/an/an/an/a



Taiho Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human dUTPase assessed as reduction in [5-3H]dUMP production incubated for 15 mins by HPLC


J Med Chem 55: 6427-37 (2012)


Article DOI: 10.1021/jm3004174
BindingDB Entry DOI: 10.7270/Q2XS5WJR
More data for this
Ligand-Target Pair
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial


(Homo sapiens (Human))
BDBM50395038
PNG
(CHEMBL2163862)
Show SMILES CC[C@@](O)(Cn1nncc1CCCCn1ccc(=O)[nH]c1=O)c1cccc(OC2CCOCC2)c1 |r|
Show InChI InChI=1S/C25H33N5O5/c1-2-25(33,19-6-5-8-22(16-19)35-21-10-14-34-15-11-21)18-30-20(17-26-28-30)7-3-4-12-29-13-9-23(31)27-24(29)32/h5-6,8-9,13,16-17,21,33H,2-4,7,10-12,14-15,18H2,1H3,(H,27,31,32)/t25-/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Taiho Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human dUTPase assessed as reduction in [5-3H]dUMP production incubated for 15 mins by HPLC


J Med Chem 55: 6427-37 (2012)


Article DOI: 10.1021/jm3004174
BindingDB Entry DOI: 10.7270/Q2XS5WJR
More data for this
Ligand-Target Pair
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial


(Homo sapiens (Human))
BDBM50395042
PNG
(CHEMBL2163858)
Show SMILES CCOc1cccc(c1)[C@@](O)(CC)Cn1nncc1CCCCn1ccc(=O)[nH]c1=O |r|
Show InChI InChI=1S/C22H29N5O4/c1-3-22(30,17-8-7-10-19(14-17)31-4-2)16-27-18(15-23-25-27)9-5-6-12-26-13-11-20(28)24-21(26)29/h7-8,10-11,13-15,30H,3-6,9,12,16H2,1-2H3,(H,24,28,29)/t22-/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Taiho Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human dUTPase assessed as reduction in [5-3H]dUMP production incubated for 15 mins by HPLC


J Med Chem 55: 6427-37 (2012)


Article DOI: 10.1021/jm3004174
BindingDB Entry DOI: 10.7270/Q2XS5WJR
More data for this
Ligand-Target Pair
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial


(Homo sapiens (Human))
BDBM50395036
PNG
(CHEMBL2163864)
Show SMILES CC[C@](O)(Cn1nncc1CCCCn1ccc(=O)[nH]c1=O)c1cccc(OCC2CC2)c1 |r|
Show InChI InChI=1S/C24H31N5O4/c1-2-24(32,19-6-5-8-21(14-19)33-16-18-9-10-18)17-29-20(15-25-27-29)7-3-4-12-28-13-11-22(30)26-23(28)31/h5-6,8,11,13-15,18,32H,2-4,7,9-10,12,16-17H2,1H3,(H,26,30,31)/t24-/m0/s1
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Taiho Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human dUTPase assessed as reduction in [5-3H]dUMP production incubated for 15 mins by HPLC


J Med Chem 55: 6427-37 (2012)


Article DOI: 10.1021/jm3004174
BindingDB Entry DOI: 10.7270/Q2XS5WJR
More data for this
Ligand-Target Pair
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial


(Homo sapiens (Human))
BDBM5423
PNG
(CHEMBL2057594 | US8530490, 135)
Show SMILES COc1cccc(c1)S(=O)(=O)NC(C)(C)CCCOCn1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C18H25N3O6S/c1-18(2,20-28(24,25)15-7-4-6-14(12-15)26-3)9-5-11-27-13-21-10-8-16(22)19-17(21)23/h4,6-8,10,12,20H,5,9,11,13H2,1-3H3,(H,19,22,23)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Taiho Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human dUTPase assessed as production of [5-3H]dUMP from [5-3H]dUTP after 15 mins measured by HPLC analysis


J Med Chem 55: 2970-80 (2012)


Article DOI: 10.1021/jm201628y
BindingDB Entry DOI: 10.7270/Q2C82BB5
More data for this
Ligand-Target Pair
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial


(Homo sapiens (Human))
BDBM101905
PNG
(CHEMBL2147974 | US8530490, 177)
Show SMILES COc1cccc(c1)S(=O)(=O)NC(C)(C)c1ccc(Cn2ccc(=O)[nH]c2=O)cc1
Show InChI InChI=1S/C21H23N3O5S/c1-21(2,23-30(27,28)18-6-4-5-17(13-18)29-3)16-9-7-15(8-10-16)14-24-12-11-19(25)22-20(24)26/h4-13,23H,14H2,1-3H3,(H,22,25,26)
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n/an/a 1.27E+3n/an/an/an/an/an/a



Taiho Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human dUTPase-mediated formation of [5-3H]dUMP expressed in Escherichia coli BL21 (DE3) after 15 mins by HPLC analysis


J Med Chem 55: 5483-96 (2012)


Article DOI: 10.1021/jm300416h
BindingDB Entry DOI: 10.7270/Q2C53MZW
More data for this
Ligand-Target Pair
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial


(Homo sapiens (Human))
BDBM50386598
PNG
(CHEMBL2048463)
Show SMILES CN(CC(c1ccccc1)c1ccccc1)C(=O)CCCn1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C23H25N3O3/c1-25(22(28)13-8-15-26-16-14-21(27)24-23(26)29)17-20(18-9-4-2-5-10-18)19-11-6-3-7-12-19/h2-7,9-12,14,16,20H,8,13,15,17H2,1H3,(H,24,27,29)
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n/an/a 1.30E+3n/an/an/an/an/an/a



Taiho Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human dUTPase assessed as reduction in [5-3H]dUMP production incubated for 15 mins by HPLC


J Med Chem 55: 6427-37 (2012)


Article DOI: 10.1021/jm3004174
BindingDB Entry DOI: 10.7270/Q2XS5WJR
More data for this
Ligand-Target Pair
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial


(Homo sapiens (Human))
BDBM50395033
PNG
(CHEMBL2163868)
Show SMILES O=c1ccn(CCCc2cnnn2CC(c2ccccc2)c2ccccc2)c(=O)[nH]1
Show InChI InChI=1S/C23H23N5O2/c29-22-13-15-27(23(30)25-22)14-7-12-20-16-24-26-28(20)17-21(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-6,8-11,13,15-16,21H,7,12,14,17H2,(H,25,29,30)
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Taiho Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human dUTPase assessed as reduction in [5-3H]dUMP production incubated for 15 mins by HPLC


J Med Chem 55: 6427-37 (2012)


Article DOI: 10.1021/jm3004174
BindingDB Entry DOI: 10.7270/Q2XS5WJR
More data for this
Ligand-Target Pair
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial


(Homo sapiens (Human))
BDBM50391344
PNG
(CHEMBL2147973)
Show SMILES CC(C)(CC\C=C\Cn1ccc(=O)[nH]c1=O)NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C18H23N3O4S/c1-18(2,20-26(24,25)15-9-5-3-6-10-15)12-7-4-8-13-21-14-11-16(22)19-17(21)23/h3-6,8-11,14,20H,7,12-13H2,1-2H3,(H,19,22,23)/b8-4+
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n/an/a 1.60E+3n/an/an/an/an/an/a



Taiho Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human dUTPase-mediated formation of [5-3H]dUMP expressed in Escherichia coli BL21 (DE3) after 15 mins by HPLC analysis


J Med Chem 55: 5483-96 (2012)


Article DOI: 10.1021/jm300416h
BindingDB Entry DOI: 10.7270/Q2C53MZW
More data for this
Ligand-Target Pair
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial


(Homo sapiens (Human))
BDBM50395054
PNG
(CHEMBL2163871)
Show SMILES O=c1ccn(CCCCc2cnnn2C(c2ccccc2)c2ccccc2)c(=O)[nH]1
Show InChI InChI=1S/C23H23N5O2/c29-21-14-16-27(23(30)25-21)15-8-7-13-20-17-24-26-28(20)22(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-6,9-12,14,16-17,22H,7-8,13,15H2,(H,25,29,30)
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n/an/a 1.60E+3n/an/an/an/an/an/a



Taiho Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human dUTPase assessed as reduction in [5-3H]dUMP production incubated for 15 mins by HPLC


J Med Chem 55: 6427-37 (2012)


Article DOI: 10.1021/jm3004174
BindingDB Entry DOI: 10.7270/Q2XS5WJR
More data for this
Ligand-Target Pair
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial


(Homo sapiens (Human))
BDBM101904
PNG
(CHEMBL2147972 | US8530490, 176)
Show SMILES CC(C)(NS(=O)(=O)c1ccccc1)c1ccc(Cn2ccc(=O)[nH]c2=O)cc1
Show InChI InChI=1S/C20H21N3O4S/c1-20(2,22-28(26,27)17-6-4-3-5-7-17)16-10-8-15(9-11-16)14-23-13-12-18(24)21-19(23)25/h3-13,22H,14H2,1-2H3,(H,21,24,25)
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n/an/a 1.80E+3n/an/an/an/an/an/a



Taiho Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human dUTPase-mediated formation of [5-3H]dUMP expressed in Escherichia coli BL21 (DE3) after 15 mins by HPLC analysis


J Med Chem 55: 5483-96 (2012)


Article DOI: 10.1021/jm300416h
BindingDB Entry DOI: 10.7270/Q2C53MZW
More data for this
Ligand-Target Pair
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial


(Homo sapiens (Human))
BDBM50388166
PNG
(CHEMBL2057910)
Show SMILES C[C@H](NS(=O)(=O)CCCOCn1ccc(=O)[nH]c1=O)c1cccc(OCC2CC2)c1 |r|
Show InChI InChI=1S/C20H27N3O6S/c1-15(17-4-2-5-18(12-17)29-13-16-6-7-16)22-30(26,27)11-3-10-28-14-23-9-8-19(24)21-20(23)25/h2,4-5,8-9,12,15-16,22H,3,6-7,10-11,13-14H2,1H3,(H,21,24,25)/t15-/m0/s1
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n/an/a 2.50E+3n/an/an/an/an/an/a



Taiho Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human dUTPase assessed as production of [5-3H]dUMP from [5-3H]dUTP after 15 mins measured by HPLC analysis


J Med Chem 55: 2970-80 (2012)


Article DOI: 10.1021/jm201628y
BindingDB Entry DOI: 10.7270/Q2C82BB5
More data for this
Ligand-Target Pair
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