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Compile Data Set for Download or QSAR

Found 297 hits of ic50 for UniProtKB: Q460N5   
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
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial


(Homo sapiens (Human))
BDBM101801
PNG
(US8530490, 61)
Show SMILES C[C@@H](NS(=O)(=O)CCCOCn1ccc(=O)[nH]c1=O)c1cccc(OCC(F)F)c1 |r|
Show InChI InChI=1S/C18H23F2N3O6S/c1-13(14-4-2-5-15(10-14)29-11-16(19)20)22-30(26,27)9-3-8-28-12-23-7-6-17(24)21-18(23)25/h2,4-7,10,13,16,22H,3,8-9,11-12H2,1H3,(H,21,24,25)/t13-/m1/s1
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n/an/a 140n/an/an/an/a7.437



Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
The inhibitory activity of these compounds of the present invention against human dUTPase was determined by measuring the production of [5-3H]deoxyur...


US Patent US8883759 (2014)


BindingDB Entry DOI: 10.7270/Q27943CK
More data for this
Ligand-Target Pair
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial


(Homo sapiens (Human))
BDBM101801
PNG
(US8530490, 61)
Show SMILES C[C@@H](NS(=O)(=O)CCCOCn1ccc(=O)[nH]c1=O)c1cccc(OCC(F)F)c1 |r|
Show InChI InChI=1S/C18H23F2N3O6S/c1-13(14-4-2-5-15(10-14)29-11-16(19)20)22-30(26,27)9-3-8-28-12-23-7-6-17(24)21-18(23)25/h2,4-7,10,13,16,22H,3,8-9,11-12H2,1H3,(H,21,24,25)/t13-/m1/s1
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n/an/a 140n/an/an/an/an/an/a



Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
The inhibitory activity of the compound against human dUTPase was determined by measuring the production of [5-3H]deoxyuridine monophosphate from [5-...


US Patent US8530490 (2013)


BindingDB Entry DOI: 10.7270/Q25H7DX2
More data for this
Ligand-Target Pair
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial


(Homo sapiens (Human))
BDBM101890
PNG
(US8530490, 160)
Show SMILES CC(C)(CCCOCn1ccc(=O)[nH]c1=O)NS(=O)(=O)c1cccc(OCC(F)F)c1
Show InChI InChI=1S/C19H25F2N3O6S/c1-19(2,8-4-10-29-13-24-9-7-17(25)22-18(24)26)23-31(27,28)15-6-3-5-14(11-15)30-12-16(20)21/h3,5-7,9,11,16,23H,4,8,10,12-13H2,1-2H3,(H,22,25,26)
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n/an/a 140n/an/an/an/an/an/a



Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
The inhibitory activity of the compound against human dUTPase was determined by measuring the production of [5-3H]deoxyuridine monophosphate from [5-...


US Patent US8530490 (2013)


BindingDB Entry DOI: 10.7270/Q25H7DX2
More data for this
Ligand-Target Pair
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial


(Homo sapiens (Human))
BDBM101788
PNG
(US8530490, 48)
Show SMILES C[C@@H](NS(=O)(=O)CCCOCn1ccc(=O)[nH]c1=O)c1ccc(F)c(OC2CCOCC2)c1 |r|
Show InChI InChI=1S/C21H28FN3O7S/c1-15(16-3-4-18(22)19(13-16)32-17-6-10-30-11-7-17)24-33(28,29)12-2-9-31-14-25-8-5-20(26)23-21(25)27/h3-5,8,13,15,17,24H,2,6-7,9-12,14H2,1H3,(H,23,26,27)/t15-/m1/s1
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n/an/a 140n/an/an/an/an/an/a



Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
The inhibitory activity of the compound against human dUTPase was determined by measuring the production of [5-3H]deoxyuridine monophosphate from [5-...


US Patent US8530490 (2013)


BindingDB Entry DOI: 10.7270/Q25H7DX2
More data for this
Ligand-Target Pair
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial


(Homo sapiens (Human))
BDBM101772
PNG
(US8530490, 32)
Show SMILES CC(NS(=O)(=O)CCCOCn1ccc(=O)[nH]c1=O)c1cccc(OC2CCCC2)c1
Show InChI InChI=1S/C21H29N3O6S/c1-16(17-6-4-9-19(14-17)30-18-7-2-3-8-18)23-31(27,28)13-5-12-29-15-24-11-10-20(25)22-21(24)26/h4,6,9-11,14,16,18,23H,2-3,5,7-8,12-13,15H2,1H3,(H,22,25,26)
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n/an/a 140n/an/an/an/an/an/a



Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
The inhibitory activity of the compound against human dUTPase was determined by measuring the production of [5-3H]deoxyuridine monophosphate from [5-...


US Patent US8530490 (2013)


BindingDB Entry DOI: 10.7270/Q25H7DX2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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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n/an/a 150n/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))
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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n/an/a 150n/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))
BDBM101776
PNG
(US8530490, 36)
Show SMILES CC(NS(=O)(=O)CCCOCn1ccc(=O)[nH]c1=O)c1ccc(F)c(OCC2CC2)c1
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)
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n/an/a 150n/an/an/an/an/an/a



Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
The inhibitory activity of the compound against human dUTPase was determined by measuring the production of [5-3H]deoxyuridine monophosphate from [5-...


US Patent US8530490 (2013)


BindingDB Entry DOI: 10.7270/Q25H7DX2
More data for this
Ligand-Target Pair
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial


(Homo sapiens (Human))
BDBM50386595
PNG
(CHEMBL2048477)
Show SMILES O=C(CCCn1ccc(=O)[nH]c1=O)N1CCC[C@H]1C(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C25H27N3O3/c29-22-15-18-27(25(31)26-22)16-8-14-23(30)28-17-7-13-21(28)24(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-6,9-12,15,18,21,24H,7-8,13-14,16-17H2,(H,26,29,31)/t21-/m0/s1
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n/an/a 150n/an/an/an/an/an/a



Taiho Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human dUTPase using [5-3H]dUTP as substrate after 15 mins by HPLC analysis


J Med Chem 55: 2960-9 (2012)


Article DOI: 10.1021/jm201627n
BindingDB Entry DOI: 10.7270/Q2WQ04VS
More data for this
Ligand-Target Pair
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial


(Homo sapiens (Human))
BDBM101784
PNG
(US8530490, 44)
Show SMILES Fc1ccc(CNS(=O)(=O)CCCOCn2ccc(=O)[nH]c2=O)cc1OC1CCCC1
Show InChI InChI=1S/C20H26FN3O6S/c21-17-7-6-15(12-18(17)30-16-4-1-2-5-16)13-22-31(27,28)11-3-10-29-14-24-9-8-19(25)23-20(24)26/h6-9,12,16,22H,1-5,10-11,13-14H2,(H,23,25,26)
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n/an/a 160n/an/an/an/an/an/a



Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
The inhibitory activity of the compound against human dUTPase was determined by measuring the production of [5-3H]deoxyuridine monophosphate from [5-...


US Patent US8530490 (2013)


BindingDB Entry DOI: 10.7270/Q25H7DX2
More data for this
Ligand-Target Pair
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial


(Homo sapiens (Human))
BDBM101750
PNG
(US8530490, 10)
Show SMILES O=c1ccn(COCCCS(=O)(=O)NC(c2ccccc2)c2cccc(OCC3CC3)c2)c(=O)[nH]1
Show InChI InChI=1S/C25H29N3O6S/c29-23-12-13-28(25(30)26-23)18-33-14-5-15-35(31,32)27-24(20-6-2-1-3-7-20)21-8-4-9-22(16-21)34-17-19-10-11-19/h1-4,6-9,12-13,16,19,24,27H,5,10-11,14-15,17-18H2,(H,26,29,30)
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n/an/a 160n/an/an/an/an/an/a



Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
The inhibitory activity of the compound against human dUTPase was determined by measuring the production of [5-3H]deoxyuridine monophosphate from [5-...


US Patent US8530490 (2013)


BindingDB Entry DOI: 10.7270/Q25H7DX2
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/a 170n/an/an/an/an/an/a



Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
The inhibitory activity of the compound against human dUTPase was determined by measuring the production of [5-3H]deoxyuridine monophosphate from [5-...


US Patent US8530490 (2013)


BindingDB Entry DOI: 10.7270/Q25H7DX2
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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n/an/a 170n/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))
BDBM101760
PNG
(US8530490, 20)
Show SMILES CCC(CC)(NS(=O)(=O)CCCOCn1ccc(=O)[nH]c1=O)c1ccc(F)c(OCC2CC2)c1
Show InChI InChI=1S/C23H32FN3O6S/c1-3-23(4-2,18-8-9-19(24)20(14-18)33-15-17-6-7-17)26-34(30,31)13-5-12-32-16-27-11-10-21(28)25-22(27)29/h8-11,14,17,26H,3-7,12-13,15-16H2,1-2H3,(H,25,28,29)
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n/an/a 190n/an/an/an/an/an/a



Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
The inhibitory activity of the compound against human dUTPase was determined by measuring the production of [5-3H]deoxyuridine monophosphate from [5-...


US Patent US8530490 (2013)


BindingDB Entry DOI: 10.7270/Q25H7DX2
More data for this
Ligand-Target Pair
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial


(Homo sapiens (Human))
BDBM101787
PNG
(US8530490, 47)
Show SMILES C[C@@H](NS(=O)(=O)CCCOCn1ccc(=O)[nH]c1=O)c1cccc(OC2CCOCC2)c1 |r|
Show InChI InChI=1S/C21H29N3O7S/c1-16(17-4-2-5-19(14-17)31-18-7-11-29-12-8-18)23-32(27,28)13-3-10-30-15-24-9-6-20(25)22-21(24)26/h2,4-6,9,14,16,18,23H,3,7-8,10-13,15H2,1H3,(H,22,25,26)/t16-/m1/s1
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n/an/a 210n/an/an/an/a7.437



Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
The inhibitory activity of these compounds of the present invention against human dUTPase was determined by measuring the production of [5-3H]deoxyur...


US Patent US8883759 (2014)


BindingDB Entry DOI: 10.7270/Q27943CK
More data for this
Ligand-Target Pair
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial


(Homo sapiens (Human))
BDBM101787
PNG
(US8530490, 47)
Show SMILES C[C@@H](NS(=O)(=O)CCCOCn1ccc(=O)[nH]c1=O)c1cccc(OC2CCOCC2)c1 |r|
Show InChI InChI=1S/C21H29N3O7S/c1-16(17-4-2-5-19(14-17)31-18-7-11-29-12-8-18)23-32(27,28)13-3-10-30-15-24-9-6-20(25)22-21(24)26/h2,4-6,9,14,16,18,23H,3,7-8,10-13,15H2,1H3,(H,22,25,26)/t16-/m1/s1
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n/an/a 210n/an/an/an/an/an/a



Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
The inhibitory activity of the compound against human dUTPase was determined by measuring the production of [5-3H]deoxyuridine monophosphate from [5-...


US Patent US8530490 (2013)


BindingDB Entry DOI: 10.7270/Q25H7DX2
More data for this
Ligand-Target Pair
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial


(Homo sapiens (Human))
BDBM101757
PNG
(US8530490, 17)
Show SMILES O=c1ccn(COCCCS(=O)(=O)NC(c2cccc(OCC3CC3)c2)c2cccc(OCC3CC3)c2)c(=O)[nH]1
Show InChI InChI=1S/C29H35N3O7S/c33-27-12-13-32(29(34)30-27)20-37-14-3-15-40(35,36)31-28(23-4-1-6-25(16-23)38-18-21-8-9-21)24-5-2-7-26(17-24)39-19-22-10-11-22/h1-2,4-7,12-13,16-17,21-22,28,31H,3,8-11,14-15,18-20H2,(H,30,33,34)
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n/an/a 210n/an/an/an/an/an/a



Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
The inhibitory activity of the compound against human dUTPase was determined by measuring the production of [5-3H]deoxyuridine monophosphate from [5-...


US Patent US8530490 (2013)


BindingDB Entry DOI: 10.7270/Q25H7DX2
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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n/an/a 210n/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))
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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n/an/a 210n/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))
BDBM101754
PNG
(US8530490, 14)
Show SMILES CCC(CC)(NS(=O)(=O)CCCOCn1ccc(=O)[nH]c1=O)c1cccc(OCC2CC2)c1
Show InChI InChI=1S/C23H33N3O6S/c1-3-23(4-2,19-7-5-8-20(15-19)32-16-18-9-10-18)25-33(29,30)14-6-13-31-17-26-12-11-21(27)24-22(26)28/h5,7-8,11-12,15,18,25H,3-4,6,9-10,13-14,16-17H2,1-2H3,(H,24,27,28)
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n/an/a 210n/an/an/an/an/an/a



Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
The inhibitory activity of the compound against human dUTPase was determined by measuring the production of [5-3H]deoxyuridine monophosphate from [5-...


US Patent US8530490 (2013)


BindingDB Entry DOI: 10.7270/Q25H7DX2
More data for this
Ligand-Target Pair
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial


(Homo sapiens (Human))
BDBM101794
PNG
(US8530490, 54)
Show SMILES C[C@@H](NS(=O)(=O)CCCOCn1ccc(=O)[nH]c1=O)c1ccc(F)c(OCC(F)(F)F)c1 |r|
Show InChI InChI=1S/C18H21F4N3O6S/c1-12(13-3-4-14(19)15(9-13)31-10-18(20,21)22)24-32(28,29)8-2-7-30-11-25-6-5-16(26)23-17(25)27/h3-6,9,12,24H,2,7-8,10-11H2,1H3,(H,23,26,27)/t12-/m1/s1
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n/an/a 230n/an/an/an/an/an/a



Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
The inhibitory activity of the compound against human dUTPase was determined by measuring the production of [5-3H]deoxyuridine monophosphate from [5-...


US Patent US8530490 (2013)


BindingDB Entry DOI: 10.7270/Q25H7DX2
More data for this
Ligand-Target Pair
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial


(Homo sapiens (Human))
BDBM50386611
PNG
(CHEMBL2048476)
Show SMILES OC([C@@H]1CCCN1C(=O)CCCn1ccc(=O)[nH]c1=O)(c1cccc(c1)-c1ccsc1)c1cccc(c1)-c1ccsc1 |r|
Show InChI InChI=1S/C33H31N3O4S2/c37-30-11-16-35(32(39)34-30)14-4-10-31(38)36-15-3-9-29(36)33(40,27-7-1-5-23(19-27)25-12-17-41-21-25)28-8-2-6-24(20-28)26-13-18-42-22-26/h1-2,5-8,11-13,16-22,29,40H,3-4,9-10,14-15H2,(H,34,37,39)/t29-/m0/s1
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n/an/a 230n/an/an/an/an/an/a



Taiho Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human dUTPase using [5-3H]dUTP as substrate after 15 mins by HPLC analysis


J Med Chem 55: 2960-9 (2012)


Article DOI: 10.1021/jm201627n
BindingDB Entry DOI: 10.7270/Q2WQ04VS
More data for this
Ligand-Target Pair
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial


(Homo sapiens (Human))
BDBM101793
PNG
(US8530490, 53)
Show SMILES C[C@@H](NS(=O)(=O)CCCOCn1ccc(=O)[nH]c1=O)c1cccc(OCC(F)(F)F)c1 |r|
Show InChI InChI=1S/C18H22F3N3O6S/c1-13(14-4-2-5-15(10-14)30-11-18(19,20)21)23-31(27,28)9-3-8-29-12-24-7-6-16(25)22-17(24)26/h2,4-7,10,13,23H,3,8-9,11-12H2,1H3,(H,22,25,26)/t13-/m1/s1
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n/an/a 230n/an/an/an/an/an/a



Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
The inhibitory activity of the compound against human dUTPase was determined by measuring the production of [5-3H]deoxyuridine monophosphate from [5-...


US Patent US8530490 (2013)


BindingDB Entry DOI: 10.7270/Q25H7DX2
More data for this
Ligand-Target Pair
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial


(Homo sapiens (Human))
BDBM101794
PNG
(US8530490, 54)
Show SMILES C[C@@H](NS(=O)(=O)CCCOCn1ccc(=O)[nH]c1=O)c1ccc(F)c(OCC(F)(F)F)c1 |r|
Show InChI InChI=1S/C18H21F4N3O6S/c1-12(13-3-4-14(19)15(9-13)31-10-18(20,21)22)24-32(28,29)8-2-7-30-11-25-6-5-16(26)23-17(25)27/h3-6,9,12,24H,2,7-8,10-11H2,1H3,(H,23,26,27)/t12-/m1/s1
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n/an/a 230n/an/an/an/a7.437



Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
The inhibitory activity of these compounds of the present invention against human dUTPase was determined by measuring the production of [5-3H]deoxyur...


US Patent US8883759 (2014)


BindingDB Entry DOI: 10.7270/Q27943CK
More data for this
Ligand-Target Pair
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial


(Homo sapiens (Human))
BDBM101793
PNG
(US8530490, 53)
Show SMILES C[C@@H](NS(=O)(=O)CCCOCn1ccc(=O)[nH]c1=O)c1cccc(OCC(F)(F)F)c1 |r|
Show InChI InChI=1S/C18H22F3N3O6S/c1-13(14-4-2-5-15(10-14)30-11-18(19,20)21)23-31(27,28)9-3-8-29-12-24-7-6-16(25)22-17(24)26/h2,4-7,10,13,23H,3,8-9,11-12H2,1H3,(H,22,25,26)/t13-/m1/s1
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n/an/a 230n/an/an/an/a7.437



Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
The inhibitory activity of these compounds of the present invention against human dUTPase was determined by measuring the production of [5-3H]deoxyur...


US Patent US8883759 (2014)


BindingDB Entry DOI: 10.7270/Q27943CK
More data for this
Ligand-Target Pair
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial


(Homo sapiens (Human))
BDBM101759
PNG
(US8530490, 19)
Show SMILES Fc1ccc(cc1)C(NS(=O)(=O)CCCOCn1ccc(=O)[nH]c1=O)c1ccc(F)c(OCC2CC2)c1
Show InChI InChI=1S/C25H27F2N3O6S/c26-20-7-4-18(5-8-20)24(19-6-9-21(27)22(14-19)36-15-17-2-3-17)29-37(33,34)13-1-12-35-16-30-11-10-23(31)28-25(30)32/h4-11,14,17,24,29H,1-3,12-13,15-16H2,(H,28,31,32)
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n/an/a 240n/an/an/an/an/an/a



Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
The inhibitory activity of the compound against human dUTPase was determined by measuring the production of [5-3H]deoxyuridine monophosphate from [5-...


US Patent US8530490 (2013)


BindingDB Entry DOI: 10.7270/Q25H7DX2
More data for this
Ligand-Target Pair
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial


(Homo sapiens (Human))
BDBM101891
PNG
(US8530490, 161)
Show SMILES CC(C)(CCCOCn1ccc(=O)[nH]c1=O)NS(=O)(=O)c1cccc(OC2CCCC2)c1
Show InChI InChI=1S/C22H31N3O6S/c1-22(2,12-6-14-30-16-25-13-11-20(26)23-21(25)27)24-32(28,29)19-10-5-9-18(15-19)31-17-7-3-4-8-17/h5,9-11,13,15,17,24H,3-4,6-8,12,14,16H2,1-2H3,(H,23,26,27)
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n/an/a 240n/an/an/an/an/an/a



Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
The inhibitory activity of the compound against human dUTPase was determined by measuring the production of [5-3H]deoxyuridine monophosphate from [5-...


US Patent US8530490 (2013)


BindingDB Entry DOI: 10.7270/Q25H7DX2
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/a 240n/an/an/an/an/an/a



Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
The inhibitory activity of the compound against human dUTPase was determined by measuring the production of [5-3H]deoxyuridine monophosphate from [5-...


US Patent US8530490 (2013)


BindingDB Entry DOI: 10.7270/Q25H7DX2
More data for this
Ligand-Target Pair
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial


(Homo sapiens (Human))
BDBM101852
PNG
(US8530490, 115)
Show SMILES CC[C@@H](NS(=O)(=O)CCCn1ccc(=O)[nH]c1=O)c1ccc(F)c(OCC2CC2)c1 |r|
Show InChI InChI=1S/C20H26FN3O5S/c1-2-17(15-6-7-16(21)18(12-15)29-13-14-4-5-14)23-30(27,28)11-3-9-24-10-8-19(25)22-20(24)26/h6-8,10,12,14,17,23H,2-5,9,11,13H2,1H3,(H,22,25,26)/t17-/m1/s1
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n/an/a 250n/an/an/an/an/an/a



Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
The inhibitory activity of the compound against human dUTPase was determined by measuring the production of [5-3H]deoxyuridine monophosphate from [5-...


US Patent US8530490 (2013)


BindingDB Entry DOI: 10.7270/Q25H7DX2
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 260n/an/an/an/an/an/a



Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
The inhibitory activity of the compound against human dUTPase was determined by measuring the production of [5-3H]deoxyuridine monophosphate from [5-...


US Patent US8530490 (2013)


BindingDB Entry DOI: 10.7270/Q25H7DX2
More data for this
Ligand-Target Pair
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial


(Homo sapiens (Human))
BDBM101761
PNG
(US8530490, 21)
Show SMILES O=c1ccn(COCCCS(=O)(=O)NCc2cccc(OC3CCCC3)c2)c(=O)[nH]1
Show InChI InChI=1S/C20H27N3O6S/c24-19-9-10-23(20(25)22-19)15-28-11-4-12-30(26,27)21-14-16-5-3-8-18(13-16)29-17-6-1-2-7-17/h3,5,8-10,13,17,21H,1-2,4,6-7,11-12,14-15H2,(H,22,24,25)
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n/an/a 270n/an/an/an/an/an/a



Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
The inhibitory activity of the compound against human dUTPase was determined by measuring the production of [5-3H]deoxyuridine monophosphate from [5-...


US Patent US8530490 (2013)


BindingDB Entry DOI: 10.7270/Q25H7DX2
More data for this
Ligand-Target Pair
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial


(Homo sapiens (Human))
BDBM101761
PNG
(US8530490, 21)
Show SMILES O=c1ccn(COCCCS(=O)(=O)NCc2cccc(OC3CCCC3)c2)c(=O)[nH]1
Show InChI InChI=1S/C20H27N3O6S/c24-19-9-10-23(20(25)22-19)15-28-11-4-12-30(26,27)21-14-16-5-3-8-18(13-16)29-17-6-1-2-7-17/h3,5,8-10,13,17,21H,1-2,4,6-7,11-12,14-15H2,(H,22,24,25)
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n/an/a 270n/an/an/an/a7.437



Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
The inhibitory activity of these compounds of the present invention against human dUTPase was determined by measuring the production of [5-3H]deoxyur...


US Patent US8883759 (2014)


BindingDB Entry DOI: 10.7270/Q27943CK
More data for this
Ligand-Target Pair
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial


(Homo sapiens (Human))
BDBM101865
PNG
(US8530490, 128)
Show SMILES O=c1ccn(CC2CCN(CC2)S(=O)(=O)NCc2cccc(OCC3CC3)c2)c(=O)[nH]1
Show InChI InChI=1S/C21H28N4O5S/c26-20-8-9-24(21(27)23-20)14-16-6-10-25(11-7-16)31(28,29)22-13-18-2-1-3-19(12-18)30-15-17-4-5-17/h1-3,8-9,12,16-17,22H,4-7,10-11,13-15H2,(H,23,26,27)
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n/an/a 270n/an/an/an/an/an/a



Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
The inhibitory activity of the compound against human dUTPase was determined by measuring the production of [5-3H]deoxyuridine monophosphate from [5-...


US Patent US8530490 (2013)


BindingDB Entry DOI: 10.7270/Q25H7DX2
More data for this
Ligand-Target Pair
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial


(Homo sapiens (Human))
BDBM50386614
PNG
(CHEMBL2048480)
Show SMILES OC([C@H]1CCCN1S(=O)(=O)CCCn1ccc(=O)[nH]c1=O)(c1cccc(F)c1)c1cccc(F)c1 |r|
Show InChI InChI=1S/C24H25F2N3O5S/c25-19-7-1-5-17(15-19)24(32,18-6-2-8-20(26)16-18)21-9-3-12-29(21)35(33,34)14-4-11-28-13-10-22(30)27-23(28)31/h1-2,5-8,10,13,15-16,21,32H,3-4,9,11-12,14H2,(H,27,30,31)/t21-/m1/s1
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n/an/a 280n/an/an/an/an/an/a



Taiho Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human dUTPase using [5-3H]dUTP as substrate after 15 mins by HPLC analysis


J Med Chem 55: 2960-9 (2012)


Article DOI: 10.1021/jm201627n
BindingDB Entry DOI: 10.7270/Q2WQ04VS
More data for this
Ligand-Target Pair
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial


(Homo sapiens (Human))
BDBM101779
PNG
(US8530490, 39)
Show SMILES O=c1ccn(COCCCS(=O)(=O)NC2(CCCC2)c2cccc(OCC3CC3)c2)c(=O)[nH]1
Show InChI InChI=1S/C23H31N3O6S/c27-21-9-12-26(22(28)24-21)17-31-13-4-14-33(29,30)25-23(10-1-2-11-23)19-5-3-6-20(15-19)32-16-18-7-8-18/h3,5-6,9,12,15,18,25H,1-2,4,7-8,10-11,13-14,16-17H2,(H,24,27,28)
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n/an/a 280n/an/an/an/an/an/a



Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
The inhibitory activity of the compound against human dUTPase was determined by measuring the production of [5-3H]deoxyuridine monophosphate from [5-...


US Patent US8530490 (2013)


BindingDB Entry DOI: 10.7270/Q25H7DX2
More data for this
Ligand-Target Pair
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial


(Homo sapiens (Human))
BDBM50386603
PNG
(CHEMBL2046464)
Show SMILES OC([C@@H]1CCCN1C(=O)CCCn1ccc(=O)[nH]c1=O)(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C25H27N3O4/c29-22-15-18-27(24(31)26-22)16-8-14-23(30)28-17-7-13-21(28)25(32,19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-6,9-12,15,18,21,32H,7-8,13-14,16-17H2,(H,26,29,31)/t21-/m0/s1
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n/an/a 290n/an/an/an/an/an/a



Taiho Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human dUTPase using [5-3H]dUTP as substrate after 15 mins by HPLC analysis


J Med Chem 55: 2960-9 (2012)


Article DOI: 10.1021/jm201627n
BindingDB Entry DOI: 10.7270/Q2WQ04VS
More data for this
Ligand-Target Pair
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial


(Homo sapiens (Human))
BDBM50386615
PNG
(CHEMBL2048481)
Show SMILES OC([C@H]1CCCN1S(=O)(=O)CCCn1ccc(=O)[nH]c1=O)(c1ccc(F)cc1)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C24H25F2N3O5S/c25-19-8-4-17(5-9-19)24(32,18-6-10-20(26)11-7-18)21-3-1-14-29(21)35(33,34)16-2-13-28-15-12-22(30)27-23(28)31/h4-12,15,21,32H,1-3,13-14,16H2,(H,27,30,31)/t21-/m1/s1
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n/an/a 310n/an/an/an/an/an/a



Taiho Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human dUTPase using [5-3H]dUTP as substrate after 15 mins by HPLC analysis


J Med Chem 55: 2960-9 (2012)


Article DOI: 10.1021/jm201627n
BindingDB Entry DOI: 10.7270/Q2WQ04VS
More data for this
Ligand-Target Pair
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial


(Homo sapiens (Human))
BDBM101798
PNG
(US8530490, 58)
Show SMILES CC(C)COc1cccc(c1)[C@@H](C)NS(=O)(=O)CCCOCn1ccc(=O)[nH]c1=O |r|
Show InChI InChI=1S/C20H29N3O6S/c1-15(2)13-29-18-7-4-6-17(12-18)16(3)22-30(26,27)11-5-10-28-14-23-9-8-19(24)21-20(23)25/h4,6-9,12,15-16,22H,5,10-11,13-14H2,1-3H3,(H,21,24,25)/t16-/m1/s1
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n/an/a 310n/an/an/an/a7.437



Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
The inhibitory activity of these compounds of the present invention against human dUTPase was determined by measuring the production of [5-3H]deoxyur...


US Patent US8883759 (2014)


BindingDB Entry DOI: 10.7270/Q27943CK
More data for this
Ligand-Target Pair
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial


(Homo sapiens (Human))
BDBM101798
PNG
(US8530490, 58)
Show SMILES CC(C)COc1cccc(c1)[C@@H](C)NS(=O)(=O)CCCOCn1ccc(=O)[nH]c1=O |r|
Show InChI InChI=1S/C20H29N3O6S/c1-15(2)13-29-18-7-4-6-17(12-18)16(3)22-30(26,27)11-5-10-28-14-23-9-8-19(24)21-20(23)25/h4,6-9,12,15-16,22H,5,10-11,13-14H2,1-3H3,(H,21,24,25)/t16-/m1/s1
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n/an/a 310n/an/an/an/an/an/a



Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
The inhibitory activity of the compound against human dUTPase was determined by measuring the production of [5-3H]deoxyuridine monophosphate from [5-...


US Patent US8530490 (2013)


BindingDB Entry DOI: 10.7270/Q25H7DX2
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))
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 using [5-3H]dUTP as substrate after 15 mins by HPLC analysis


J Med Chem 55: 2960-9 (2012)


Article DOI: 10.1021/jm201627n
BindingDB Entry DOI: 10.7270/Q2WQ04VS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial


(Homo sapiens (Human))
BDBM5563
PNG
(US8530490, 173 | US8530490, 175)
Show SMILES CC(C)(COCCCn1ccc(=O)[nH]c1=O)NS(=O)(=O)c1cccc(OCC2CC2)c1
Show InChI InChI=1S/C21H29N3O6S/c1-21(2,15-29-12-4-10-24-11-9-19(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 330n/an/an/an/an/an/a



Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
The inhibitory activity of the compound against human dUTPase was determined by measuring the production of [5-3H]deoxyuridine monophosphate from [5-...


US Patent US8530490 (2013)


BindingDB Entry DOI: 10.7270/Q25H7DX2
More data for this
Ligand-Target Pair
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial


(Homo sapiens (Human))
BDBM101782
PNG
(US8530490, 42)
Show SMILES O=c1ccn(COCCCS(=O)(=O)N[C@H](C2CC2)c2cccc(OC3CCCC3)c2)c(=O)[nH]1 |r|
Show InChI InChI=1S/C23H31N3O6S/c27-21-11-12-26(23(28)24-21)16-31-13-4-14-33(29,30)25-22(17-9-10-17)18-5-3-8-20(15-18)32-19-6-1-2-7-19/h3,5,8,11-12,15,17,19,22,25H,1-2,4,6-7,9-10,13-14,16H2,(H,24,27,28)/t22-/m1/s1
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n/an/a 330n/an/an/an/an/an/a



Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
The inhibitory activity of the compound against human dUTPase was determined by measuring the production of [5-3H]deoxyuridine monophosphate from [5-...


US Patent US8530490 (2013)


BindingDB Entry DOI: 10.7270/Q25H7DX2
More data for this
Ligand-Target Pair
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial


(Homo sapiens (Human))
BDBM101771
PNG
(US8530490, 31)
Show SMILES CC(C)C(NS(=O)(=O)CCCOCn1ccc(=O)[nH]c1=O)c1cccc(OCC2CC2)c1
Show InChI InChI=1S/C22H31N3O6S/c1-16(2)21(18-5-3-6-19(13-18)31-14-17-7-8-17)24-32(28,29)12-4-11-30-15-25-10-9-20(26)23-22(25)27/h3,5-6,9-10,13,16-17,21,24H,4,7-8,11-12,14-15H2,1-2H3,(H,23,26,27)
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n/an/a 330n/an/an/an/an/an/a



Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
The inhibitory activity of the compound against human dUTPase was determined by measuring the production of [5-3H]deoxyuridine monophosphate from [5-...


US Patent US8530490 (2013)


BindingDB Entry DOI: 10.7270/Q25H7DX2
More data for this
Ligand-Target Pair
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial


(Homo sapiens (Human))
BDBM101753
PNG
(US8530490, 13)
Show SMILES C[C@@H](NS(=O)(=O)CCCOCn1ccc(=O)[nH]c1=O)c1cccc(OC2CC2)c1 |r|
Show InChI InChI=1S/C19H25N3O6S/c1-14(15-4-2-5-17(12-15)28-16-6-7-16)21-29(25,26)11-3-10-27-13-22-9-8-18(23)20-19(22)24/h2,4-5,8-9,12,14,16,21H,3,6-7,10-11,13H2,1H3,(H,20,23,24)/t14-/m1/s1
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n/an/a 330n/an/an/an/an/an/a



Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
The inhibitory activity of the compound against human dUTPase was determined by measuring the production of [5-3H]deoxyuridine monophosphate from [5-...


US Patent US8530490 (2013)


BindingDB Entry DOI: 10.7270/Q25H7DX2
More data for this
Ligand-Target Pair
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial


(Homo sapiens (Human))
BDBM101909
PNG
(US8530490, 1)
Show SMILES O=c1ccn(COCCCS(=O)(=O)NCc2cccc(OCC3CC3)c2)c(=O)[nH]1
Show InChI InChI=1S/C19H25N3O6S/c23-18-7-8-22(19(24)21-18)14-27-9-2-10-29(25,26)20-12-16-3-1-4-17(11-16)28-13-15-5-6-15/h1,3-4,7-8,11,15,20H,2,5-6,9-10,12-14H2,(H,21,23,24)
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n/an/a 330n/an/an/an/an/an/a



Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
The inhibitory activity of the compound against human dUTPase was determined by measuring the production of [5-3H]deoxyuridine monophosphate from [5-...


US Patent US8530490 (2013)


BindingDB Entry DOI: 10.7270/Q25H7DX2
More data for this
Ligand-Target Pair
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial


(Homo sapiens (Human))
BDBM101909
PNG
(US8530490, 1)
Show SMILES O=c1ccn(COCCCS(=O)(=O)NCc2cccc(OCC3CC3)c2)c(=O)[nH]1
Show InChI InChI=1S/C19H25N3O6S/c23-18-7-8-22(19(24)21-18)14-27-9-2-10-29(25,26)20-12-16-3-1-4-17(11-16)28-13-15-5-6-15/h1,3-4,7-8,11,15,20H,2,5-6,9-10,12-14H2,(H,21,23,24)
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n/an/a 330n/an/an/an/a7.437



Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
The inhibitory activity of these compounds of the present invention against human dUTPase was determined by measuring the production of [5-3H]deoxyur...


US Patent US8883759 (2014)


BindingDB Entry DOI: 10.7270/Q27943CK
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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n/an/a 340n/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))
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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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
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