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PubMed code 22607122

Compile data set for download or QSAR
Found 38 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
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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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))		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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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))		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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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))		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))		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))		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))		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))		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-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))		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))		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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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))		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))		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))		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))		BDBM101888
PNG
(CHEMBL1234485 | US8530490, 158)
Show SMILES CC(C)(CCCOCn1ccc(=O)[nH]c1=O)NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C17H23N3O5S/c1-17(2,19-26(23,24)14-7-4-3-5-8-14)10-6-12-25-13-20-11-9-15(21)18-16(20)22/h3-5,7-9,11,19H,6,10,12-13H2,1-2H3,(H,18,21,22)
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n/an/a 3.90E+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		3D
3D Structure (crystal)
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 3.82E+4n/an/an/an/an/an/a



Taiho Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human dUTPase-mediated cell proliferation in HeLa S3 cells after 72 hrs by crystal violet staining

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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n/an/an/an/a 610n/an/an/an/a



Taiho Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human dUTPase-mediated cell proliferation in HeLa S3 cells assessed as compound concentration required to reduce 50% of 1 uM of FdUrd T...

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))		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/an/an/a 66n/an/an/an/a



Taiho Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human dUTPase-mediated cell proliferation in HeLa S3 cells assessed as compound concentration required to reduce 50% of 1 uM of FdUrd T...

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/an/an/a 200n/an/an/an/a



Taiho Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human dUTPase-mediated cell proliferation in HeLa S3 cells assessed as compound concentration required to reduce 50% of 1 uM of FdUrd T...

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/an/an/a 71n/an/an/an/a



Taiho Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human dUTPase-mediated cell proliferation in HeLa S3 cells assessed as compound concentration required to reduce 50% of 1 uM of FdUrd T...

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))		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/an/an/a 930n/an/an/an/a



Taiho Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human dUTPase-mediated cell proliferation in HeLa S3 cells assessed as compound concentration required to reduce 50% of 1 uM of FdUrd T...

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))		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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n/an/an/an/a 140n/an/an/an/a



Taiho Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human dUTPase-mediated cell proliferation in HeLa S3 cells assessed as compound concentration required to reduce 50% of 1 uM of FdUrd T...

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))		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/an/an/a 49n/an/an/an/a



Taiho Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human dUTPase-mediated cell proliferation in HeLa S3 cells assessed as compound concentration required to reduce 50% of 1 uM of FdUrd T...

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/an/an/a 100n/an/an/an/a



Taiho Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human dUTPase-mediated cell proliferation in HeLa S3 cells assessed as compound concentration required to reduce 50% of 1 uM of FdUrd T...

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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n/an/an/an/a 96n/an/an/an/a



Taiho Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human dUTPase-mediated cell proliferation in HeLa S3 cells assessed as compound concentration required to reduce 50% of 1 uM of FdUrd T...

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))		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/an/an/a 3.13E+3n/an/an/an/a



Taiho Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human dUTPase-mediated cell proliferation in HeLa S3 cells assessed as compound concentration required to reduce 50% of 1 uM of FdUrd T...

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))		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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n/an/an/an/a 610n/an/an/an/a



Taiho Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human dUTPase-mediated cell proliferation in HeLa S3 cells assessed as compound concentration required to reduce 50% of 1 uM of FdUrd T...

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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n/an/an/an/a 450n/an/an/an/a



Taiho Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human dUTPase-mediated cell proliferation in HeLa S3 cells assessed as compound concentration required to reduce 50% of 1 uM of FdUrd T...

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))		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/an/an/a 2.60E+3n/an/an/an/a



Taiho Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human dUTPase-mediated cell proliferation in HeLa S3 cells assessed as compound concentration required to reduce 50% of 1 uM of FdUrd T...

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))		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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n/an/an/an/a 150n/an/an/an/a



Taiho Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human dUTPase-mediated cell proliferation in HeLa S3 cells assessed as compound concentration required to reduce 50% of 1 uM of FdUrd T...

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))		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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n/an/an/an/a 120n/an/an/an/a



Taiho Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human dUTPase-mediated cell proliferation in HeLa S3 cells assessed as compound concentration required to reduce 50% of 1 uM of FdUrd T...

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))		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/an/an/a 2.60E+3n/an/an/an/a



Taiho Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human dUTPase-mediated cell proliferation in HeLa S3 cells assessed as compound concentration required to reduce 50% of 1 uM of FdUrd T...

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))		BDBM101888
PNG
(CHEMBL1234485 | US8530490, 158)
Show SMILES CC(C)(CCCOCn1ccc(=O)[nH]c1=O)NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C17H23N3O5S/c1-17(2,19-26(23,24)14-7-4-3-5-8-14)10-6-12-25-13-20-11-9-15(21)18-16(20)22/h3-5,7-9,11,19H,6,10,12-13H2,1-2H3,(H,18,21,22)
PDB
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KEGG

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antibodypedia
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PDB
Article
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n/an/an/an/a 5.10E+3n/an/an/an/a



Taiho Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human dUTPase-mediated cell proliferation in HeLa S3 cells assessed as compound concentration required to reduce 50% of 1 uM of FdUrd T...

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		3D
3D Structure (crystal)
* indicates data uncertainty>20%