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PubMed code 22404301

Compile data set for download or QSAR
Found 44 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))
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, 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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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))
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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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))
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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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))
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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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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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))
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))
BDBM50386605
PNG
(CHEMBL2048469)
Show SMILES OC([C@@H]1CCCN1C(=O)CCCn1ccc(=O)[nH]c1=O)(c1cccc(F)c1)c1cccc(F)c1 |r|
Show InChI InChI=1S/C25H25F2N3O4/c26-19-7-1-5-17(15-19)25(34,18-6-2-8-20(27)16-18)21-9-3-13-30(21)23(32)10-4-12-29-14-11-22(31)28-24(29)33/h1-2,5-8,11,14-16,21,34H,3-4,9-10,12-13H2,(H,28,31,33)/t21-/m0/s1
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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))
BDBM50386607
PNG
(CHEMBL2048471)
Show SMILES OC([C@@H]1CCCN1C(=O)CCCn1ccc(=O)[nH]c1=O)(c1cccc(Cl)c1)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C25H25Cl2N3O4/c26-19-7-1-5-17(15-19)25(34,18-6-2-8-20(27)16-18)21-9-3-13-30(21)23(32)10-4-12-29-14-11-22(31)28-24(29)33/h1-2,5-8,11,14-16,21,34H,3-4,9-10,12-13H2,(H,28,31,33)/t21-/m0/s1
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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))
BDBM50386606
PNG
(CHEMBL2048470)
Show SMILES OC([C@@H]1CCCN1C(=O)CCCn1ccc(=O)[nH]c1=O)(c1ccc(F)cc1)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C25H25F2N3O4/c26-19-9-5-17(6-10-19)25(34,18-7-11-20(27)12-8-18)21-3-1-15-30(21)23(32)4-2-14-29-16-13-22(31)28-24(29)33/h5-13,16,21,34H,1-4,14-15H2,(H,28,31,33)/t21-/m0/s1
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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))
BDBM50386608
PNG
(CHEMBL2048473)
Show SMILES COc1ccccc1C(O)([C@@H]1CCCN1C(=O)CCCn1ccc(=O)[nH]c1=O)c1ccccc1OC |r|
Show InChI InChI=1S/C27H31N3O6/c1-35-21-11-5-3-9-19(21)27(34,20-10-4-6-12-22(20)36-2)23-13-7-17-30(23)25(32)14-8-16-29-18-15-24(31)28-26(29)33/h3-6,9-12,15,18,23,34H,7-8,13-14,16-17H2,1-2H3,(H,28,31,33)/t23-/m0/s1
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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))
BDBM50386593
PNG
(CHEMBL2048472)
Show SMILES OC([C@@H]1CCCN1C(=O)CCCn1ccc(=O)[nH]c1=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C25H25Cl2N3O4/c26-19-9-5-17(6-10-19)25(34,18-7-11-20(27)12-8-18)21-3-1-15-30(21)23(32)4-2-14-29-16-13-22(31)28-24(29)33/h5-13,16,21,34H,1-4,14-15H2,(H,28,31,33)/t21-/m0/s1
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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))
BDBM50386610
PNG
(CHEMBL2048475)
Show SMILES COc1ccc(cc1)C(O)([C@@H]1CCCN1C(=O)CCCn1ccc(=O)[nH]c1=O)c1ccc(OC)cc1 |r|
Show InChI InChI=1S/C27H31N3O6/c1-35-21-11-7-19(8-12-21)27(34,20-9-13-22(36-2)14-10-20)23-5-3-17-30(23)25(32)6-4-16-29-18-15-24(31)28-26(29)33/h7-15,18,23,34H,3-6,16-17H2,1-2H3,(H,28,31,33)/t23-/m0/s1
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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))
BDBM50386609
PNG
(CHEMBL2048474)
Show SMILES COc1cccc(c1)C(O)([C@@H]1CCCN1C(=O)CCCn1ccc(=O)[nH]c1=O)c1cccc(OC)c1 |r|
Show InChI InChI=1S/C27H31N3O6/c1-35-21-9-3-7-19(17-21)27(34,20-8-4-10-22(18-20)36-2)23-11-5-15-30(23)25(32)12-6-14-29-16-13-24(31)28-26(29)33/h3-4,7-10,13,16-18,23,34H,5-6,11-12,14-15H2,1-2H3,(H,28,31,33)/t23-/m0/s1
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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))
BDBM50386616
PNG
(CHEMBL2048482)
Show SMILES COc1ccccc1C(O)([C@H]1CCCN1S(=O)(=O)CCCn1ccc(=O)[nH]c1=O)c1ccccc1OC |r|
Show InChI InChI=1S/C26H31N3O7S/c1-35-21-11-5-3-9-19(21)26(32,20-10-4-6-12-22(20)36-2)23-13-7-16-29(23)37(33,34)18-8-15-28-17-14-24(30)27-25(28)31/h3-6,9-12,14,17,23,32H,7-8,13,15-16,18H2,1-2H3,(H,27,30,31)/t23-/m1/s1
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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))
BDBM50386612
PNG
(CHEMBL2048478)
Show SMILES OC([C@@H]1CCCN1C(=O)CCn1ccc(=O)[nH]c1=O)(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C24H25N3O4/c28-21-13-16-26(23(30)25-21)17-14-22(29)27-15-7-12-20(27)24(31,18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-6,8-11,13,16,20,31H,7,12,14-15,17H2,(H,25,28,30)/t20-/m0/s1
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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))
BDBM50386617
PNG
(CHEMBL2048483)
Show SMILES COc1cccc(c1)C(O)([C@H]1CCCN1S(=O)(=O)CCCn1ccc(=O)[nH]c1=O)c1cccc(OC)c1 |r|
Show InChI InChI=1S/C26H31N3O7S/c1-35-21-9-3-7-19(17-21)26(32,20-8-4-10-22(18-20)36-2)23-11-5-14-29(23)37(33,34)16-6-13-28-15-12-24(30)27-25(28)31/h3-4,7-10,12,15,17-18,23,32H,5-6,11,13-14,16H2,1-2H3,(H,27,30,31)/t23-/m1/s1
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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))
BDBM50386602
PNG
(CHEMBL2048467)
Show SMILES CN(CC(O)(c1ccccc1)c1ccccc1)C(=O)CCCn1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C23H25N3O4/c1-25(21(28)13-8-15-26-16-14-20(27)24-22(26)29)17-23(30,18-9-4-2-5-10-18)19-11-6-3-7-12-19/h2-7,9-12,14,16,30H,8,13,15,17H2,1H3,(H,24,27,29)
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n/an/a 1.10E+3n/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))
BDBM50386598
PNG
(CHEMBL2048463)
Show SMILES CN(CC(c1ccccc1)c1ccccc1)C(=O)CCCn1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C23H25N3O3/c1-25(22(28)13-8-15-26-16-14-21(27)24-23(26)29)17-20(18-9-4-2-5-10-18)19-11-6-3-7-12-19/h2-7,9-12,14,16,20H,8,13,15,17H2,1H3,(H,24,27,29)
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n/an/a 1.30E+3n/an/an/an/an/an/a



Taiho Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human dUTPase 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))
BDBM50386597
PNG
(CHEMBL2048462)
Show SMILES CC(C)(NC(=O)CCCn1ccc(=O)[nH]c1=O)C(O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H27N3O4/c1-23(2,26-21(29)14-9-16-27-17-15-20(28)25-22(27)30)24(31,18-10-5-3-6-11-18)19-12-7-4-8-13-19/h3-8,10-13,15,17,31H,9,14,16H2,1-2H3,(H,26,29)(H,25,28,30)
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n/an/a 2.50E+3n/an/an/an/an/an/a



Taiho Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human dUTPase 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))
BDBM50386628
PNG
(CHEMBL2048453)
Show SMILES CC(C)(NC(=O)CCn1ccc(=O)[nH]c1=O)C(O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H25N3O4/c1-22(2,25-20(28)14-16-26-15-13-19(27)24-21(26)29)23(30,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-13,15,30H,14,16H2,1-2H3,(H,25,28)(H,24,27,29)
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n/an/a 7.30E+3n/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))
BDBM50386613
PNG
(CHEMBL2048479)
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-/m0/s1
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n/an/a 9.40E+3n/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))
BDBM50386604
PNG
(CHEMBL2048468)
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-/m1/s1
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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))
BDBM50386619
PNG
(CHEMBL1232397)
Show SMILES O[C@H]1C[C@@H](O[C@@H]1CO[P@@](O)(=O)N[P@](O)(=O)OP(O)(O)=O)n1ccc(=O)[nH]c1=O |r|
Show InChI InChI=1S/C9H16N3O13P3/c13-5-3-8(12-2-1-7(14)10-9(12)15)24-6(5)4-23-26(16,17)11-27(18,19)25-28(20,21)22/h1-2,5-6,8,13H,3-4H2,(H,10,14,15)(H2,20,21,22)(H3,11,16,17,18,19)/t5-,6+,8+/m0/s1
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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))
BDBM50386596
PNG
(CHEMBL2048461)
Show SMILES O=C(CCCn1ccc(=O)[nH]c1=O)NCC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H23N3O3/c26-20(12-7-14-25-15-13-21(27)24-22(25)28)23-16-19(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-6,8-11,13,15,19H,7,12,14,16H2,(H,23,26)(H,24,27,28)
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n/an/a 1.60E+4n/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))
BDBM50386600
PNG
(CHEMBL2048465)
Show SMILES CC(C)(CCc1ccccc1)NC(=O)CCCn1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C19H25N3O3/c1-19(2,12-10-15-7-4-3-5-8-15)21-17(24)9-6-13-22-14-11-16(23)20-18(22)25/h3-5,7-8,11,14H,6,9-10,12-13H2,1-2H3,(H,21,24)(H,20,23,25)
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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))
BDBM50386622
PNG
(CHEMBL2048446)
Show SMILES CCC(CC)(CC)NC(=O)CCn1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C14H23N3O3/c1-4-14(5-2,6-3)16-12(19)8-10-17-9-7-11(18)15-13(17)20/h7,9H,4-6,8,10H2,1-3H3,(H,16,19)(H,15,18,20)
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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))
BDBM50386624
PNG
(CHEMBL2048448)
Show SMILES O=C(CCn1ccc(=O)[nH]c1=O)N(Cc1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C21H21N3O3/c25-19-11-13-23(21(27)22-19)14-12-20(26)24(15-17-7-3-1-4-8-17)16-18-9-5-2-6-10-18/h1-11,13H,12,14-16H2,(H,22,25,27)
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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))
BDBM50386627
PNG
(CHEMBL2048451)
Show SMILES O=C(CCn1ccc(=O)[nH]c1=O)NCCC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H23N3O3/c26-20(12-15-25-16-13-21(27)24-22(25)28)23-14-11-19(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,13,16,19H,11-12,14-15H2,(H,23,26)(H,24,27,28)
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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))
BDBM50386626
PNG
(CHEMBL2048450)
Show SMILES O=C(CCn1ccc(=O)[nH]c1=O)NCC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H21N3O3/c25-19(11-13-24-14-12-20(26)23-21(24)27)22-15-18(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,12,14,18H,11,13,15H2,(H,22,25)(H,23,26,27)
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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))
BDBM50386601
PNG
(CHEMBL2048466)
Show SMILES CC(C)(CO)NC(=O)CCCn1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C12H19N3O4/c1-12(2,8-16)14-10(18)4-3-6-15-7-5-9(17)13-11(15)19/h5,7,16H,3-4,6,8H2,1-2H3,(H,14,18)(H,13,17,19)
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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))
BDBM50386630
PNG
(CHEMBL2048455)
Show SMILES CC(C)(C)CC(C)(C)NC(=O)CCCn1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C16H27N3O3/c1-15(2,3)11-16(4,5)18-13(21)7-6-9-19-10-8-12(20)17-14(19)22/h8,10H,6-7,9,11H2,1-5H3,(H,18,21)(H,17,20,22)
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n/an/a 3.00E+4n/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))
BDBM50386623
PNG
(CHEMBL2048447)
Show SMILES CC(C)(C)NC(=O)CCn1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C11H17N3O3/c1-11(2,3)13-9(16)5-7-14-6-4-8(15)12-10(14)17/h4,6H,5,7H2,1-3H3,(H,13,16)(H,12,15,17)
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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))
BDBM50386635
PNG
(CHEMBL2048460)
Show SMILES O=C(CCCn1ccc(=O)[nH]c1=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H21N3O3/c25-18(12-7-14-24-15-13-19(26)23-21(24)27)22-20(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-6,8-11,13,15,20H,7,12,14H2,(H,22,25)(H,23,26,27)
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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))
BDBM50386634
PNG
(CHEMBL2048459)
Show SMILES CCC(CC)(CC)NC(=O)CCCn1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C15H25N3O3/c1-4-15(5-2,6-3)17-13(20)8-7-10-18-11-9-12(19)16-14(18)21/h9,11H,4-8,10H2,1-3H3,(H,17,20)(H,16,19,21)
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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))
BDBM50386594
PNG
(CHEMBL2048452)
Show SMILES O=C(CCn1ccc(=O)[nH]c1=O)N1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C19H23N3O3/c23-17-8-12-22(19(25)20-17)13-9-18(24)21-10-6-16(7-11-21)14-15-4-2-1-3-5-15/h1-5,8,12,16H,6-7,9-11,13-14H2,(H,20,23,25)
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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))
BDBM50386625
PNG
(CHEMBL2048449)
Show SMILES O=C(CCn1ccc(=O)[nH]c1=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C20H19N3O3/c24-17(11-13-23-14-12-18(25)22-20(23)26)21-19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,12,14,19H,11,13H2,(H,21,24)(H,22,25,26)
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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))
BDBM50386621
PNG
(CHEMBL2048445)
Show SMILES CC(C)(C)CC(C)(C)NC(=O)CCn1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C15H25N3O3/c1-14(2,3)10-15(4,5)17-12(20)7-9-18-8-6-11(19)16-13(18)21/h6,8H,7,9-10H2,1-5H3,(H,17,20)(H,16,19,21)
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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))
BDBM50386631
PNG
(CHEMBL2048456)
Show SMILES O=C(CCCn1ccc(=O)[nH]c1=O)NCc1ccccc1
Show InChI InChI=1S/C15H17N3O3/c19-13(16-11-12-5-2-1-3-6-12)7-4-9-18-10-8-14(20)17-15(18)21/h1-3,5-6,8,10H,4,7,9,11H2,(H,16,19)(H,17,20,21)
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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))
BDBM50386599
PNG
(CHEMBL2048464)
Show SMILES CC(C)(Cc1ccc2ccccc2c1)NC(=O)CCCn1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C22H25N3O3/c1-22(2,15-16-9-10-17-6-3-4-7-18(17)14-16)24-20(27)8-5-12-25-13-11-19(26)23-21(25)28/h3-4,6-7,9-11,13-14H,5,8,12,15H2,1-2H3,(H,24,27)(H,23,26,28)
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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))
BDBM50386629
PNG
(CHEMBL2048454)
Show SMILES O=C(CCCn1ccc(=O)[nH]c1=O)Nc1ccccc1
Show InChI InChI=1S/C14H15N3O3/c18-12(15-11-5-2-1-3-6-11)7-4-9-17-10-8-13(19)16-14(17)20/h1-3,5-6,8,10H,4,7,9H2,(H,15,18)(H,16,19,20)
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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))
BDBM50386633
PNG
(CHEMBL2048458)
Show SMILES CC(C)(NC(=O)CCCn1ccc(=O)[nH]c1=O)c1ccccc1
Show InChI InChI=1S/C17H21N3O3/c1-17(2,13-7-4-3-5-8-13)19-15(22)9-6-11-20-12-10-14(21)18-16(20)23/h3-5,7-8,10,12H,6,9,11H2,1-2H3,(H,19,22)(H,18,21,23)
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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))
BDBM50386632
PNG
(CHEMBL2048457)
Show SMILES CC(C)(Cc1ccccc1)NC(=O)CCCn1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C18H23N3O3/c1-18(2,13-14-7-4-3-5-8-14)20-16(23)9-6-11-21-12-10-15(22)19-17(21)24/h3-5,7-8,10,12H,6,9,11,13H2,1-2H3,(H,20,23)(H,19,22,24)
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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))
BDBM50386620
PNG
(CHEMBL2048444)
Show SMILES CC(C)(C)NC(=O)CCCn1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C12H19N3O3/c1-12(2,3)14-10(17)5-4-7-15-8-6-9(16)13-11(15)18/h6,8H,4-5,7H2,1-3H3,(H,14,17)(H,13,16,18)
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n/an/a 9.70E+4n/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
* indicates data uncertainty>20%