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Compile Data Set for Download or QSAR

Found 369 hits with Last Name = 'yahara' and Initial = 's'   
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 (dUTPase)


(Homo sapiens (Human))
BDBM50386618
PNG
(CHEMBL2048443)
Show SMILES O[C@H]1C[C@@H](O[C@@H]1COP(O)(=O)CP(O)(=O)OP(O)(=O)OCc1ccccc1)n1ccc(=O)[nH]c1=O |r|
Show InChI InChI=1S/C17H23N2O13P3/c20-13-8-16(19-7-6-15(21)18-17(19)22)31-14(13)10-29-33(23,24)11-34(25,26)32-35(27,28)30-9-12-4-2-1-3-5-12/h1-7,13-14,16,20H,8-11H2,(H,23,24)(H,25,26)(H,27,28)(H,18,21,22)/t13-,14+,16+/m0/s1
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300n/an/an/an/an/an/an/an/a



Taiho Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human dUTPase


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 (dUTPase)


(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 (dUTPase)


(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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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 (dUTPase)


(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 (dUTPase)


(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 (dUTPase)


(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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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 (dUTPase)


(Homo sapiens (Human))
BDBM101762
PNG
(US8530490, 22)
Show SMILES CC[C@@H](NS(=O)(=O)CCCOCn1ccc(=O)[nH]c1=O)c1ccc(F)c(OCC2CC2)c1 |r|
Show InChI InChI=1S/C21H28FN3O6S/c1-2-18(16-6-7-17(22)19(12-16)31-13-15-4-5-15)24-32(28,29)11-3-10-30-14-25-9-8-20(26)23-21(25)27/h6-9,12,15,18,24H,2-5,10-11,13-14H2,1H3,(H,23,26,27)/t18-/m1/s1
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n/an/a 30n/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 (dUTPase)


(Homo sapiens (Human))
BDBM101778
PNG
(US8530490, 38)
Show SMILES Fc1ccc(cc1OCC1CC1)[C@H](NS(=O)(=O)CCCOCn1ccc(=O)[nH]c1=O)c1cccs1 |r|
Show InChI InChI=1S/C23H26FN3O6S2/c24-18-7-6-17(13-19(18)33-14-16-4-5-16)22(20-3-1-11-34-20)26-35(30,31)12-2-10-32-15-27-9-8-21(28)25-23(27)29/h1,3,6-9,11,13,16,22,26H,2,4-5,10,12,14-15H2,(H,25,28,29)/t22-/m0/s1
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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 (dUTPase)


(Homo sapiens (Human))
BDBM101774
PNG
(US8530490, 34)
Show SMILES CCC(NS(=O)(=O)CCCOCn1ccc(=O)[nH]c1=O)c1ccc(F)c(OCC2CC2)c1
Show InChI InChI=1S/C21H28FN3O6S/c1-2-18(16-6-7-17(22)19(12-16)31-13-15-4-5-15)24-32(28,29)11-3-10-30-14-25-9-8-20(26)23-21(25)27/h6-9,12,15,18,24H,2-5,10-11,13-14H2,1H3,(H,23,26,27)
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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 (dUTPase)


(Homo sapiens (Human))
BDBM101762
PNG
(US8530490, 22)
Show SMILES CC[C@@H](NS(=O)(=O)CCCOCn1ccc(=O)[nH]c1=O)c1ccc(F)c(OCC2CC2)c1 |r|
Show InChI InChI=1S/C21H28FN3O6S/c1-2-18(16-6-7-17(22)19(12-16)31-13-15-4-5-15)24-32(28,29)11-3-10-30-14-25-9-8-20(26)23-21(25)27/h6-9,12,15,18,24H,2-5,10-11,13-14H2,1H3,(H,23,26,27)/t18-/m1/s1
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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 (dUTPase)


(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/a 31n/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 (dUTPase)


(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 (dUTPase)


(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 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 (dUTPase)


(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 (dUTPase)


(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 (dUTPase)


(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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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 (dUTPase)


(Homo sapiens (Human))
BDBM101764
PNG
(US8530490, 24)
Show SMILES C[C@@H](NS(=O)(=O)CCCOCn1ccc(=O)[nH]c1=O)c1ccc(F)c(OC2CCCC2)c1 |r|
Show InChI InChI=1S/C21H28FN3O6S/c1-15(16-7-8-18(22)19(13-16)31-17-5-2-3-6-17)24-32(28,29)12-4-11-30-14-25-10-9-20(26)23-21(25)27/h7-10,13,15,17,24H,2-6,11-12,14H2,1H3,(H,23,26,27)/t15-/m1/s1
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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 (dUTPase)


(Homo sapiens (Human))
BDBM101767
PNG
(US8530490, 27)
Show SMILES CC[C@@H](NS(=O)(=O)CCCOCn1ccc(=O)[nH]c1=O)c1cccc(OCC2CC2)c1 |r|
Show InChI InChI=1S/C21H29N3O6S/c1-2-19(17-5-3-6-18(13-17)30-14-16-7-8-16)23-31(27,28)12-4-11-29-15-24-10-9-20(25)22-21(24)26/h3,5-6,9-10,13,16,19,23H,2,4,7-8,11-12,14-15H2,1H3,(H,22,25,26)/t19-/m1/s1
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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 (dUTPase)


(Homo sapiens (Human))
BDBM101781
PNG
(US8530490, 41)
Show SMILES CC[C@@H](NS(=O)(=O)CCCOCn1ccc(=O)[nH]c1=O)c1cccc(OC2CCCC2)c1 |r|
Show InChI InChI=1S/C22H31N3O6S/c1-2-20(17-7-5-10-19(15-17)31-18-8-3-4-9-18)24-32(28,29)14-6-13-30-16-25-12-11-21(26)23-22(25)27/h5,7,10-12,15,18,20,24H,2-4,6,8-9,13-14,16H2,1H3,(H,23,26,27)/t20-/m1/s1
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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 (dUTPase)


(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 (dUTPase)


(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 (dUTPase)


(Homo sapiens (Human))
BDBM101837
PNG
(US8530490, 100)
Show SMILES C[C@@H](NS(=O)(=O)CC\C=C\Cn1ccc(=O)[nH]c1=O)c1ccc(F)c(OCC2CC2)c1 |r|
Show InChI InChI=1S/C21H26FN3O5S/c1-15(17-7-8-18(22)19(13-17)30-14-16-5-6-16)24-31(28,29)12-4-2-3-10-25-11-9-20(26)23-21(25)27/h2-3,7-9,11,13,15-16,24H,4-6,10,12,14H2,1H3,(H,23,26,27)/b3-2+/t15-/m1/s1
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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 (dUTPase)


(Homo sapiens (Human))
BDBM101764
PNG
(US8530490, 24)
Show SMILES C[C@@H](NS(=O)(=O)CCCOCn1ccc(=O)[nH]c1=O)c1ccc(F)c(OC2CCCC2)c1 |r|
Show InChI InChI=1S/C21H28FN3O6S/c1-15(16-7-8-18(22)19(13-16)31-17-5-2-3-6-17)24-32(28,29)12-4-11-30-14-25-10-9-20(26)23-21(25)27/h7-10,13,15,17,24H,2-6,11-12,14H2,1H3,(H,23,26,27)/t15-/m1/s1
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n/an/a 40n/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 (dUTPase)


(Homo sapiens (Human))
BDBM101749
PNG
(US8530490, 9)
Show SMILES CC(C)[C@@H](NS(=O)(=O)CCCOCn1ccc(=O)[nH]c1=O)c1ccc(F)c(OCC2CC2)c1 |r|
Show InChI InChI=1S/C22H30FN3O6S/c1-15(2)21(17-6-7-18(23)19(12-17)32-13-16-4-5-16)25-33(29,30)11-3-10-31-14-26-9-8-20(27)24-22(26)28/h6-9,12,15-16,21,25H,3-5,10-11,13-14H2,1-2H3,(H,24,27,28)/t21-/m1/s1
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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 (dUTPase)


(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 (dUTPase)


(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.

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 (dUTPase)


(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.

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 (dUTPase)


(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.

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 (dUTPase)


(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 (dUTPase)


(Homo sapiens (Human))
BDBM101745
PNG
(US8530490, 5)
Show SMILES C[C@@H](NS(=O)(=O)CCCOCn1ccc(=O)[nH]c1=O)c1cccc(OC2CCCC2)c1 |r|
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)/t16-/m1/s1
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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 (dUTPase)


(Homo sapiens (Human))
BDBM101745
PNG
(US8530490, 5)
Show SMILES C[C@@H](NS(=O)(=O)CCCOCn1ccc(=O)[nH]c1=O)c1cccc(OC2CCCC2)c1 |r|
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)/t16-/m1/s1
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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
3D
3D Structure (crystal)
Deoxyuridine 5'-triphosphate nucleotidohydrolase (dUTPase)


(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 (dUTPase)


(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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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 (dUTPase)


(Homo sapiens (Human))
BDBM101838
PNG
(US8530490, 101)
Show SMILES C[C@@H](NS(=O)(=O)CCCCCn1ccc(=O)[nH]c1=O)c1ccc(F)c(OCC2CC2)c1 |r|
Show InChI InChI=1S/C21H28FN3O5S/c1-15(17-7-8-18(22)19(13-17)30-14-16-5-6-16)24-31(28,29)12-4-2-3-10-25-11-9-20(26)23-21(25)27/h7-9,11,13,15-16,24H,2-6,10,12,14H2,1H3,(H,23,26,27)/t15-/m1/s1
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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 (dUTPase)


(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 (dUTPase)


(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 (dUTPase)


(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/a 82n/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 (dUTPase)


(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 90n/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 (dUTPase)


(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 90n/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 (dUTPase)


(Homo sapiens (Human))
BDBM101783
PNG
(US8530490, 43)
Show SMILES CC[C@@H](NS(=O)(=O)CCCOCn1ccc(=O)[nH]c1=O)c1cccc(OC2CC2)c1 |r|
Show InChI InChI=1S/C20H27N3O6S/c1-2-18(15-5-3-6-17(13-15)29-16-7-8-16)22-30(26,27)12-4-11-28-14-23-10-9-19(24)21-20(23)25/h3,5-6,9-10,13,16,18,22H,2,4,7-8,11-12,14H2,1H3,(H,21,24,25)/t18-/m1/s1
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n/an/a 90n/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 (dUTPase)


(Homo sapiens (Human))
BDBM101780
PNG
(US8530490, 40)
Show SMILES Fc1ccc(cc1OCC1CC1)[C@H](NS(=O)(=O)CCCOCn1ccc(=O)[nH]c1=O)C1CC1 |r|
Show InChI InChI=1S/C22H28FN3O6S/c23-18-7-6-17(12-19(18)32-13-15-2-3-15)21(16-4-5-16)25-33(29,30)11-1-10-31-14-26-9-8-20(27)24-22(26)28/h6-9,12,15-16,21,25H,1-5,10-11,13-14H2,(H,24,27,28)/t21-/m1/s1
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n/an/a 100n/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 (dUTPase)


(Homo sapiens (Human))
BDBM101765
PNG
(US8530490, 25)
Show SMILES CC(C)C(NS(=O)(=O)CCCOCn1ccc(=O)[nH]c1=O)c1ccc(F)c(OCC2CC2)c1
Show InChI InChI=1S/C22H30FN3O6S/c1-15(2)21(17-6-7-18(23)19(12-17)32-13-16-4-5-16)25-33(29,30)11-3-10-31-14-26-9-8-20(27)24-22(26)28/h6-9,12,15-16,21,25H,3-5,10-11,13-14H2,1-2H3,(H,24,27,28)
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n/an/a 100n/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 (dUTPase)


(Homo sapiens (Human))
BDBM101777
PNG
(US8530490, 37)
Show SMILES Fc1ccc(cc1)[C@@H](NS(=O)(=O)CCCOCn1ccc(=O)[nH]c1=O)c1ccc(F)c(OCC2CC2)c1 |r|
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)/t24-/m1/s1
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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 (dUTPase)


(Homo sapiens (Human))
BDBM101808
PNG
(US8530490, 68)
Show SMILES C[C@@H](NS(=O)(=O)CCCOCn1ccc(=O)[nH]c1=O)c1ccc(F)c(OCC(F)F)c1 |r|
Show InChI InChI=1S/C18H22F3N3O6S/c1-12(13-3-4-14(19)15(9-13)30-10-16(20)21)23-31(27,28)8-2-7-29-11-24-6-5-17(25)22-18(24)26/h3-6,9,12,16,23H,2,7-8,10-11H2,1H3,(H,22,25,26)/t12-/m1/s1
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n/an/a 110n/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 (dUTPase)


(Homo sapiens (Human))
BDBM101808
PNG
(US8530490, 68)
Show SMILES C[C@@H](NS(=O)(=O)CCCOCn1ccc(=O)[nH]c1=O)c1ccc(F)c(OCC(F)F)c1 |r|
Show InChI InChI=1S/C18H22F3N3O6S/c1-12(13-3-4-14(19)15(9-13)30-10-16(20)21)23-31(27,28)8-2-7-29-11-24-6-5-17(25)22-18(24)26/h3-6,9,12,16,23H,2,7-8,10-11H2,1H3,(H,22,25,26)/t12-/m1/s1
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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 (dUTPase)


(Homo sapiens (Human))
BDBM101907
PNG
(US8530490, 179)
Show SMILES CC(C)(NS(=O)(=O)c1cccc(OCC2CC2)c1)c1ccc(Cn2ccc(=O)[nH]c2=O)nc1
Show InChI InChI=1S/C23H26N4O5S/c1-23(2,17-8-9-18(24-13-17)14-27-11-10-21(28)25-22(27)29)26-33(30,31)20-5-3-4-19(12-20)32-15-16-6-7-16/h3-5,8-13,16,26H,6-7,14-15H2,1-2H3,(H,25,28,29)
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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 (dUTPase)


(Homo sapiens (Human))
BDBM101843
PNG
(US8530490, 106)
Show SMILES C[C@@H](NS(=O)(=O)CCCCCn1ccc(=O)[nH]c1=O)c1cccc(OC2CCCC2)c1 |r|
Show InChI InChI=1S/C22H31N3O5S/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/h7-8,11-12,14,16-17,19,24H,2-6,9-10,13,15H2,1H3,(H,23,26,27)/t17-/m1/s1
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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 (dUTPase)


(Homo sapiens (Human))
BDBM101846
PNG
(US8530490, 109)
Show SMILES C[C@@H](NS(=O)(=O)CCCCCn1ccc(=O)[nH]c1=O)c1cccc(OCC2CC2)c1 |r|
Show InChI InChI=1S/C21H29N3O5S/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/h5-7,10,12,14,16-17,23H,2-4,8-9,11,13,15H2,1H3,(H,22,25,26)/t16-/m1/s1
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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 (dUTPase)


(Homo sapiens (Human))
BDBM101897
PNG
(US8530490, 167)
Show SMILES O=c1ccn(COCCCC2(CC2)NS(=O)(=O)c2cccc(OCC3CC3)c2)c(=O)[nH]1
Show InChI InChI=1S/C21H27N3O6S/c25-19-7-11-24(20(26)22-19)15-29-12-2-8-21(9-10-21)23-31(27,28)18-4-1-3-17(13-18)30-14-16-5-6-16/h1,3-4,7,11,13,16,23H,2,5-6,8-10,12,14-15H2,(H,22,25,26)
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n/an/a 130n/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 (dUTPase)


(Homo sapiens (Human))
BDBM101897
PNG
(US8530490, 167)
Show SMILES O=c1ccn(COCCCC2(CC2)NS(=O)(=O)c2cccc(OCC3CC3)c2)c(=O)[nH]1
Show InChI InChI=1S/C21H27N3O6S/c25-19-7-11-24(20(26)22-19)15-29-12-2-8-21(9-10-21)23-31(27,28)18-4-1-3-17(13-18)30-14-16-5-6-16/h1,3-4,7,11,13,16,23H,2,5-6,8-10,12,14-15H2,(H,22,25,26)
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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
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