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Patent code US8883759

Compile Data Set for Download or QSAR
Found 20 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))		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, mitochondrial


(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, 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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n/an/a 50n/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))		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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n/an/a 60n/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		3D
3D Structure (crystal)
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial


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


(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, mitochondrial


(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/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/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/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))		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))		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))		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))		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))		BDBM101746
PNG
(US8530490, 397 | US8530490, 6)
Show SMILES C[C@@H](NS(=O)(=O)CCCOCn1ccc(=O)[nH]c1=O)c1cccc(OC2CCOC2)c1
Show InChI InChI=1S/C20H27N3O7S/c1-15(16-4-2-5-17(12-16)30-18-7-10-28-13-18)22-31(26,27)11-3-9-29-14-23-8-6-19(24)21-20(23)25/h2,4-6,8,12,15,18,22H,3,7,9-11,13-14H2,1H3,(H,21,24,25)/t15-,18?/m1/s1
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n/an/a 460n/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))		BDBM101751
PNG
(US8530490, 11)
Show SMILES CC(NS(=O)(=O)CCCOCn1ccc(=O)[nH]c1=O)c1cccc(OCC2CC2)c1
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)
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n/an/a 490n/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))		BDBM139105
PNG
(US8883759, 19)
Show SMILES CC[C@@H](NS(=O)(=O)CCCn1ccc(=O)[nH]c1=O)c1cccc(OCC2CC2)c1 |r|
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n/an/a 610n/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))		BDBM101747
PNG
(US8530490, 7)
Show SMILES Fc1ccc(CNS(=O)(=O)CCCOCn2ccc(=O)[nH]c2=O)cc1OCC1CC1
Show InChI InChI=1S/C19H24FN3O6S/c20-16-5-4-15(10-17(16)29-12-14-2-3-14)11-21-30(26,27)9-1-8-28-13-23-7-6-18(24)22-19(23)25/h4-7,10,14,21H,1-3,8-9,11-13H2,(H,22,24,25)
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n/an/a 640n/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))		BDBM101799
PNG
(US8530490, 59)
Show SMILES CC[C@H](C)COc1cccc(c1)[C@@H](C)NS(=O)(=O)CCCOCn1ccc(=O)[nH]c1=O |r|
Show InChI InChI=1S/C21H31N3O6S/c1-4-16(2)14-30-19-8-5-7-18(13-19)17(3)23-31(27,28)12-6-11-29-15-24-10-9-20(25)22-21(24)26/h5,7-10,13,16-17,23H,4,6,11-12,14-15H2,1-3H3,(H,22,25,26)/t16-,17+/m0/s1
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n/an/a 720n/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))		BDBM101809
PNG
(US8530490, 69)
Show SMILES C[C@@H](NS(=O)(=O)CCCOCn1ccc(=O)[nH]c1=O)c1cccc(OCC=C)c1 |r|
Show InChI InChI=1S/C19H25N3O6S/c1-3-10-28-17-7-4-6-16(13-17)15(2)21-29(25,26)12-5-11-27-14-22-9-8-18(23)20-19(22)24/h3-4,6-9,13,15,21H,1,5,10-12,14H2,2H3,(H,20,23,24)/t15-/m1/s1
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Similars
US Patent
n/an/a 740n/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
* indicates data uncertainty>20%