Found 32 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial
(Homo sapiens (Human)) | BDBM50395031
(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 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50395047
(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 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 58 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50395030
(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 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 67 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50395037
(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 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/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
(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 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50395035
(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 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 170 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50395032
(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) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 210 | n/a | n/a | n/a | n/a | n/a | n/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
(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 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 210 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50395034
(CHEMBL2163867)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-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 350 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50395039
(CHEMBL2163861)Show SMILES CC[C@@](O)(Cn1nncc1CCCCn1ccc(=O)[nH]c1=O)c1cccc(OCC=C)c1 |r| Show InChI InChI=1S/C23H29N5O4/c1-3-14-32-20-10-7-8-18(15-20)23(31,4-2)17-28-19(16-24-26-28)9-5-6-12-27-13-11-21(29)25-22(27)30/h3,7-8,10-11,13,15-16,31H,1,4-6,9,12,14,17H2,2H3,(H,25,29,30)/t23-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 360 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50395048
(CHEMBL2163877)Show SMILES O=c1ccn(CCCCc2cnnn2CCc2ccccc2OCC2CC2)c(=O)[nH]1 Show InChI InChI=1S/C22H27N5O3/c28-21-11-13-26(22(29)24-21)12-4-3-6-19-15-23-25-27(19)14-10-18-5-1-2-7-20(18)30-16-17-8-9-17/h1-2,5,7,11,13,15,17H,3-4,6,8-10,12,14,16H2,(H,24,28,29) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 390 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50395040
(CHEMBL2163860)Show SMILES CC[C@@](O)(Cn1nncc1CCCCn1ccc(=O)[nH]c1=O)c1cccc(OCC(C)C)c1 |r| Show InChI InChI=1S/C24H33N5O4/c1-4-24(32,19-8-7-10-21(14-19)33-16-18(2)3)17-29-20(15-25-27-29)9-5-6-12-28-13-11-22(30)26-23(28)31/h7-8,10-11,13-15,18,32H,4-6,9,12,16-17H2,1-3H3,(H,26,30,31)/t24-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 550 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50395041
(CHEMBL2163859)Show SMILES CC[C@@](O)(Cn1nncc1CCCCn1ccc(=O)[nH]c1=O)c1cccc(OCC2(C)CC2)c1 |r| Show InChI InChI=1S/C25H33N5O4/c1-3-25(33,19-7-6-9-21(15-19)34-18-24(2)11-12-24)17-30-20(16-26-28-30)8-4-5-13-29-14-10-22(31)27-23(29)32/h6-7,9-10,14-16,33H,3-5,8,11-13,17-18H2,1-2H3,(H,27,31,32)/t25-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 630 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50395045
(CHEMBL2163855)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-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 720 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50395056
(CHEMBL2163869)Show SMILES O=c1ccn(CCCCc2cnnn2CC(c2ccccc2)c2ccccc2)c(=O)[nH]1 Show InChI InChI=1S/C24H25N5O2/c30-23-14-16-28(24(31)26-23)15-8-7-13-21-17-25-27-29(21)18-22(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-6,9-12,14,16-17,22H,7-8,13,15,18H2,(H,26,30,31) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 740 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50395046
(CHEMBL2163853)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-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 870 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50395042
(CHEMBL2163858)Show SMILES CCOc1cccc(c1)[C@@](O)(CC)Cn1nncc1CCCCn1ccc(=O)[nH]c1=O |r| Show InChI InChI=1S/C22H29N5O4/c1-3-22(30,17-8-7-10-19(14-17)31-4-2)16-27-18(15-23-25-27)9-5-6-12-26-13-11-20(28)24-21(26)29/h7-8,10-11,13-15,30H,3-6,9,12,16H2,1-2H3,(H,24,28,29)/t22-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50395038
(CHEMBL2163862)Show SMILES CC[C@@](O)(Cn1nncc1CCCCn1ccc(=O)[nH]c1=O)c1cccc(OC2CCOCC2)c1 |r| Show InChI InChI=1S/C25H33N5O5/c1-2-25(33,19-6-5-8-22(16-19)35-21-10-14-34-15-11-21)18-30-20(17-26-28-30)7-3-4-12-29-13-9-23(31)27-24(29)32/h5-6,8-9,13,16-17,21,33H,2-4,7,10-12,14-15,18H2,1H3,(H,27,31,32)/t25-/m1/s1 | PDB
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| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50395036
(CHEMBL2163864)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-/m0/s1 | PDB
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| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50386598
(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) | PDB
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| n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50395033
(CHEMBL2163868)Show SMILES O=c1ccn(CCCc2cnnn2CC(c2ccccc2)c2ccccc2)c(=O)[nH]1 Show InChI InChI=1S/C23H23N5O2/c29-22-13-15-27(23(30)25-22)14-7-12-20-16-24-26-28(20)17-21(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-6,8-11,13,15-16,21H,7,12,14,17H2,(H,25,29,30) | PDB
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| n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50395054
(CHEMBL2163871)Show SMILES O=c1ccn(CCCCc2cnnn2C(c2ccccc2)c2ccccc2)c(=O)[nH]1 Show InChI InChI=1S/C23H23N5O2/c29-21-14-16-27(23(30)25-21)15-8-7-13-20-17-24-26-28(20)22(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-6,9-12,14,16-17,22H,7-8,13,15H2,(H,25,29,30) | PDB
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| n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50395052
(CHEMBL2163873)Show InChI InChI=1S/C18H21N5O2/c24-17-10-12-22(18(25)20-17)11-5-4-8-16-14-19-21-23(16)13-9-15-6-2-1-3-7-15/h1-3,6-7,10,12,14H,4-5,8-9,11,13H2,(H,20,24,25) | PDB
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| n/a | n/a | 3.50E+3 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50395050
(CHEMBL2163875)Show InChI InChI=1S/C19H23N5O3/c1-27-17-7-4-5-15(13-17)8-12-24-16(14-20-22-24)6-2-3-10-23-11-9-18(25)21-19(23)26/h4-5,7,9,11,13-14H,2-3,6,8,10,12H2,1H3,(H,21,25,26) | PDB
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| n/a | n/a | 4.10E+3 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50395051
(CHEMBL2163874)Show InChI InChI=1S/C19H23N5O3/c1-27-17-8-3-2-6-15(17)9-13-24-16(14-20-22-24)7-4-5-11-23-12-10-18(25)21-19(23)26/h2-3,6,8,10,12,14H,4-5,7,9,11,13H2,1H3,(H,21,25,26) | PDB
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| n/a | n/a | 5.70E+3 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50395053
(CHEMBL2163872)Show InChI InChI=1S/C17H19N5O2/c23-16-9-11-21(17(24)19-16)10-4-7-15-13-18-20-22(15)12-8-14-5-2-1-3-6-14/h1-3,5-6,9,11,13H,4,7-8,10,12H2,(H,19,23,24) | PDB
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50395055
(CHEMBL2163870)Show SMILES O=c1ccn(CCCc2cnnn2C(c2ccccc2)c2ccccc2)c(=O)[nH]1 Show InChI InChI=1S/C22H21N5O2/c28-20-13-15-26(22(29)24-20)14-7-12-19-16-23-25-27(19)21(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-6,8-11,13,15-16,21H,7,12,14H2,(H,24,28,29) | PDB
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50395049
(CHEMBL2163876)Show InChI InChI=1S/C19H23N5O3/c1-27-17-7-5-15(6-8-17)9-13-24-16(14-20-22-24)4-2-3-11-23-12-10-18(25)21-19(23)26/h5-8,10,12,14H,2-4,9,11,13H2,1H3,(H,21,25,26) | PDB
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50395030
(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 | PDB
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| n/a | n/a | n/a | n/a | 70 | n/a | n/a | n/a | n/a |
Taiho Pharmaceutical Co. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of dUTPase in human HeLa S3 cells assessed as potentiation of 1 uM FdUrd-induced decrease in cell density incubated for 48 hrs by crystal ... |
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)) | BDBM50395031
(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 | PDB
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| n/a | n/a | n/a | n/a | 50 | n/a | n/a | n/a | n/a |
Taiho Pharmaceutical Co. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of dUTPase in human HeLa S3 cells assessed as potentiation of 1 uM FdUrd-induced decrease in cell density incubated for 48 hrs by crystal ... |
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)) | BDBM50395033
(CHEMBL2163868)Show SMILES O=c1ccn(CCCc2cnnn2CC(c2ccccc2)c2ccccc2)c(=O)[nH]1 Show InChI InChI=1S/C23H23N5O2/c29-22-13-15-27(23(30)25-22)14-7-12-20-16-24-26-28(20)17-21(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-6,8-11,13,15-16,21H,7,12,14,17H2,(H,25,29,30) | PDB
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| n/a | n/a | n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a |
Taiho Pharmaceutical Co. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of dUTPase in human HeLa S3 cells assessed as potentiation of 1 uM FdUrd-induced decrease in cell density incubated for 48 hrs by crystal ... |
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)) | BDBM50395032
(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) | PDB
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| n/a | n/a | n/a | n/a | 260 | n/a | n/a | n/a | n/a |
Taiho Pharmaceutical Co. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of dUTPase in human HeLa S3 cells assessed as potentiation of 1 uM FdUrd-induced decrease in cell density incubated for 48 hrs by crystal ... |
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 | |
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