Found 156 hits of ki for UniProtKB: P33316 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kcal/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial
(Homo sapiens (Human)) | BDBM50386618
(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 | PDB
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| 300 | n/a | n/a | 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 |
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)) | BDBM50190556
(1-(3-tritylaminopropyl)uracil | CHEMBL211905)Show SMILES O=c1ccn(CCCNC(c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)[nH]1 Show InChI InChI=1S/C26H25N3O2/c30-24-17-20-29(25(31)28-24)19-10-18-27-26(21-11-4-1-5-12-21,22-13-6-2-7-14-22)23-15-8-3-9-16-23/h1-9,11-17,20,27H,10,18-19H2,(H,28,30,31) | PDB
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| 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Instituto de Parasitolog£a y Biomedicina L£pez-Neyra
Curated by ChEMBL
| Assay Description
Inhibition of human dUTPase using dUTP as substrate by spectrophotometric analysis |
Eur J Med Chem 46: 3309-14 (2011)
Article DOI: 10.1016/j.ejmech.2011.04.052
BindingDB Entry DOI: 10.7270/Q27S7Q1H |
More data for this
Ligand-Target Pair | |
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial
(Homo sapiens (Human)) | BDBM50190556
(1-(3-tritylaminopropyl)uracil | CHEMBL211905)Show SMILES O=c1ccn(CCCNC(c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)[nH]1 Show InChI InChI=1S/C26H25N3O2/c30-24-17-20-29(25(31)28-24)19-10-18-27-26(21-11-4-1-5-12-21,22-13-6-2-7-14-22)23-15-8-3-9-16-23/h1-9,11-17,20,27H,10,18-19H2,(H,28,30,31) | PDB
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| 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cardiff University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant dUTPase |
J Med Chem 49: 4183-95 (2006)
Article DOI: 10.1021/jm060126s
BindingDB Entry DOI: 10.7270/Q22J6BF0 |
More data for this
Ligand-Target Pair | |
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial
(Homo sapiens (Human)) | BDBM50190531
(1-[(Z)-4-trityloxy-2-butenyl]uracil | CHEMBL377199)Show SMILES O=c1ccn(C\C=C/COC(c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)[nH]1 Show InChI InChI=1S/C27H24N2O3/c30-25-18-20-29(26(31)28-25)19-10-11-21-32-27(22-12-4-1-5-13-22,23-14-6-2-7-15-23)24-16-8-3-9-17-24/h1-18,20H,19,21H2,(H,28,30,31)/b11-10- | PDB
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| 5.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cardiff University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant dUTPase |
J Med Chem 49: 4183-95 (2006)
Article DOI: 10.1021/jm060126s
BindingDB Entry DOI: 10.7270/Q22J6BF0 |
More data for this
Ligand-Target Pair | |
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial
(Homo sapiens (Human)) | BDBM50190549
(1-[4-hydroxy-3-(tritylaminomethyl)butyl]uracil | C...)Show SMILES OCC(CCn1ccc(=O)[nH]c1=O)CNC(c1ccccc1)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C28H29N3O3/c32-21-22(16-18-31-19-17-26(33)30-27(31)34)20-29-28(23-10-4-1-5-11-23,24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-15,17,19,22,29,32H,16,18,20-21H2,(H,30,33,34) | PDB
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| 5.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Instituto de Parasitolog£a y Biomedicina L£pez-Neyra
Curated by ChEMBL
| Assay Description
Inhibition of human dUTPase using dUTP as substrate by spectrophotometric analysis |
Eur J Med Chem 46: 3309-14 (2011)
Article DOI: 10.1016/j.ejmech.2011.04.052
BindingDB Entry DOI: 10.7270/Q27S7Q1H |
More data for this
Ligand-Target Pair | |
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial
(Homo sapiens (Human)) | BDBM50190549
(1-[4-hydroxy-3-(tritylaminomethyl)butyl]uracil | C...)Show SMILES OCC(CCn1ccc(=O)[nH]c1=O)CNC(c1ccccc1)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C28H29N3O3/c32-21-22(16-18-31-19-17-26(33)30-27(31)34)20-29-28(23-10-4-1-5-11-23,24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-15,17,19,22,29,32H,16,18,20-21H2,(H,30,33,34) | PDB
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| 5.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cardiff University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant dUTPase |
J Med Chem 49: 4183-95 (2006)
Article DOI: 10.1021/jm060126s
BindingDB Entry DOI: 10.7270/Q22J6BF0 |
More data for this
Ligand-Target Pair | |
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial
(Homo sapiens (Human)) | BDBM50439347
(CHEMBL2420337)Show InChI InChI=1S/C20H21N3O2/c24-18-12-15-23(20(25)22-18)14-7-13-21-19(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-6,8-12,15,19,21H,7,13-14H2,(H,22,24,25) | PDB
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| 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Dundee
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human dUTPase expressed in Escherichia coli BL21 (DE3) using dUTP as substrate by spectrophotometric analysis |
Bioorg Med Chem 21: 5876-85 (2013)
Article DOI: 10.1016/j.bmc.2013.07.004
BindingDB Entry DOI: 10.7270/Q2NV9KPJ |
More data for this
Ligand-Target Pair | |
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial
(Homo sapiens (Human)) | BDBM50190553
(1-[2-(trityloxy)ethoxymethyl]uracil | CHEMBL424704...)Show SMILES O=c1ccn(COCCOC(c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)[nH]1 Show InChI InChI=1S/C26H24N2O4/c29-24-16-17-28(25(30)27-24)20-31-18-19-32-26(21-10-4-1-5-11-21,22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-17H,18-20H2,(H,27,29,30) | PDB
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| 1.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cardiff University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant dUTPase |
J Med Chem 49: 4183-95 (2006)
Article DOI: 10.1021/jm060126s
BindingDB Entry DOI: 10.7270/Q22J6BF0 |
More data for this
Ligand-Target Pair | |
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial
(Homo sapiens (Human)) | BDBM50190553
(1-[2-(trityloxy)ethoxymethyl]uracil | CHEMBL424704...)Show SMILES O=c1ccn(COCCOC(c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)[nH]1 Show InChI InChI=1S/C26H24N2O4/c29-24-16-17-28(25(30)27-24)20-31-18-19-32-26(21-10-4-1-5-11-21,22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-17H,18-20H2,(H,27,29,30) | PDB
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| 1.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Instituto de Parasitolog£a y Biomedicina L£pez-Neyra
Curated by ChEMBL
| Assay Description
Inhibition of human dUTPase using dUTP as substrate by spectrophotometric analysis |
Eur J Med Chem 46: 3309-14 (2011)
Article DOI: 10.1016/j.ejmech.2011.04.052
BindingDB Entry DOI: 10.7270/Q27S7Q1H |
More data for this
Ligand-Target Pair | |
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial
(Homo sapiens (Human)) | BDBM50173539
(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) | PDB
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| >1.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cardiff University
Curated by ChEMBL
| Assay Description
Inhibitory constant against human deoxyuridine 5'-triphosphate nucleotidohydrolase expressed in Escherichia coli BL21 (DE3) cells |
J Med Chem 48: 5942-54 (2005)
Article DOI: 10.1021/jm050111e
BindingDB Entry DOI: 10.7270/Q2Z320DG |
More data for this
Ligand-Target Pair | |
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial
(Homo sapiens (Human)) | BDBM50173539
(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) | PDB
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| 1.80E+4 | n/a | n/a | 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 production of [5-3H]dUMP from [5-3H]dUTP after 15 mins measured by HPLC analysis |
J Med Chem 55: 2970-80 (2012)
Article DOI: 10.1021/jm201628y
BindingDB Entry DOI: 10.7270/Q2C82BB5 |
More data for this
Ligand-Target Pair | |
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial
(Homo sapiens (Human)) | BDBM50173539
(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) | PDB
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| 1.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wales Cardiff
Curated by ChEMBL
| Assay Description
Inhibition of human dUTPase |
Eur J Med Chem 44: 678-88 (2009)
Article DOI: 10.1016/j.ejmech.2008.05.018
BindingDB Entry DOI: 10.7270/Q20K28CG |
More data for this
Ligand-Target Pair | |
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial
(Homo sapiens (Human)) | BDBM50173539
(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) | PDB
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| 1.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cardiff University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant dUTPase |
J Med Chem 49: 4183-95 (2006)
Article DOI: 10.1021/jm060126s
BindingDB Entry DOI: 10.7270/Q22J6BF0 |
More data for this
Ligand-Target Pair | |
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial
(Homo sapiens (Human)) | BDBM50190532
(1-[4-hydroxy-2-(trityloxymethyl)butyl]uracil | CHE...)Show SMILES OCCC(COC(c1ccccc1)(c1ccccc1)c1ccccc1)Cn1ccc(=O)[nH]c1=O Show InChI InChI=1S/C28H28N2O4/c31-19-17-22(20-30-18-16-26(32)29-27(30)33)21-34-28(23-10-4-1-5-11-23,24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-16,18,22,31H,17,19-21H2,(H,29,32,33) | PDB
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| 2.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cardiff University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant dUTPase |
J Med Chem 49: 4183-95 (2006)
Article DOI: 10.1021/jm060126s
BindingDB Entry DOI: 10.7270/Q22J6BF0 |
More data for this
Ligand-Target Pair | |
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial
(Homo sapiens (Human)) | BDBM50190547
(1-(3-triphenylsilyloxypropyl)uracil | CHEMBL211906)Show SMILES O=c1ccn(CCCO[Si](c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)[nH]1 Show InChI InChI=1S/C25H24N2O3Si/c28-24-17-19-27(25(29)26-24)18-10-20-30-31(21-11-4-1-5-12-21,22-13-6-2-7-14-22)23-15-8-3-9-16-23/h1-9,11-17,19H,10,18,20H2,(H,26,28,29) | PDB
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| 2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cardiff University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant dUTPase |
J Med Chem 49: 4183-95 (2006)
Article DOI: 10.1021/jm060126s
BindingDB Entry DOI: 10.7270/Q22J6BF0 |
More data for this
Ligand-Target Pair | |
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial
(Homo sapiens (Human)) | BDBM50190543
(1-((2R,4S,5R)-4-hydroxy-5-((tritylamino)methyl)-te...)Show SMILES O[C@H]1C[C@@H](O[C@@H]1CNC(c1ccccc1)(c1ccccc1)c1ccccc1)n1ccc(=O)[nH]c1=O |r| Show InChI InChI=1S/C28H27N3O4/c32-23-18-26(31-17-16-25(33)30-27(31)34)35-24(23)19-29-28(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-17,23-24,26,29,32H,18-19H2,(H,30,33,34)/t23-,24+,26+/m0/s1 | PDB
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| 4.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Dundee
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human dUTPase expressed in Escherichia coli BL21 (DE3) using dUTP as substrate by spectrophotometric analysis |
Bioorg Med Chem 21: 5876-85 (2013)
Article DOI: 10.1016/j.bmc.2013.07.004
BindingDB Entry DOI: 10.7270/Q2NV9KPJ |
More data for this
Ligand-Target Pair | |
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial
(Homo sapiens (Human)) | BDBM50190543
(1-((2R,4S,5R)-4-hydroxy-5-((tritylamino)methyl)-te...)Show SMILES O[C@H]1C[C@@H](O[C@@H]1CNC(c1ccccc1)(c1ccccc1)c1ccccc1)n1ccc(=O)[nH]c1=O |r| Show InChI InChI=1S/C28H27N3O4/c32-23-18-26(31-17-16-25(33)30-27(31)34)35-24(23)19-29-28(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-17,23-24,26,29,32H,18-19H2,(H,30,33,34)/t23-,24+,26+/m0/s1 | PDB
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| 4.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Instituto de Parasitolog£a y Biomedicina L£pez-Neyra
Curated by ChEMBL
| Assay Description
Inhibition of human dUTPase using dUTP as substrate by spectrophotometric analysis |
Eur J Med Chem 46: 3309-14 (2011)
Article DOI: 10.1016/j.ejmech.2011.04.052
BindingDB Entry DOI: 10.7270/Q27S7Q1H |
More data for this
Ligand-Target Pair | |
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial
(Homo sapiens (Human)) | BDBM50173577
(1-{4-Hydroxy-5-[(trityl-amino)-methyl]-tetrahydro-...)Show SMILES OC1CC(OC1CNC(c1ccccc1)(c1ccccc1)c1ccccc1)n1ccc(=O)[nH]c1=O Show InChI InChI=1S/C28H27N3O4/c32-23-18-26(31-17-16-25(33)30-27(31)34)35-24(23)19-29-28(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-17,23-24,26,29,32H,18-19H2,(H,30,33,34) | PDB
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| 4.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cardiff University
Curated by ChEMBL
| Assay Description
Inhibitory constant against human deoxyuridine 5'-triphosphate nucleotidohydrolase expressed in Escherichia coli BL21 (DE3) cells |
J Med Chem 48: 5942-54 (2005)
Article DOI: 10.1021/jm050111e
BindingDB Entry DOI: 10.7270/Q2Z320DG |
More data for this
Ligand-Target Pair | |
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial
(Homo sapiens (Human)) | BDBM50190543
(1-((2R,4S,5R)-4-hydroxy-5-((tritylamino)methyl)-te...)Show SMILES O[C@H]1C[C@@H](O[C@@H]1CNC(c1ccccc1)(c1ccccc1)c1ccccc1)n1ccc(=O)[nH]c1=O |r| Show InChI InChI=1S/C28H27N3O4/c32-23-18-26(31-17-16-25(33)30-27(31)34)35-24(23)19-29-28(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-17,23-24,26,29,32H,18-19H2,(H,30,33,34)/t23-,24+,26+/m0/s1 | PDB
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| 4.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cardiff University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant dUTPase |
J Med Chem 49: 4183-95 (2006)
Article DOI: 10.1021/jm060126s
BindingDB Entry DOI: 10.7270/Q22J6BF0 |
More data for this
Ligand-Target Pair | |
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial
(Homo sapiens (Human)) | BDBM50190543
(1-((2R,4S,5R)-4-hydroxy-5-((tritylamino)methyl)-te...)Show SMILES O[C@H]1C[C@@H](O[C@@H]1CNC(c1ccccc1)(c1ccccc1)c1ccccc1)n1ccc(=O)[nH]c1=O |r| Show InChI InChI=1S/C28H27N3O4/c32-23-18-26(31-17-16-25(33)30-27(31)34)35-24(23)19-29-28(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-17,23-24,26,29,32H,18-19H2,(H,30,33,34)/t23-,24+,26+/m0/s1 | PDB
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| 4.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wales Cardiff
Curated by ChEMBL
| Assay Description
Inhibition of human dUTPase |
Eur J Med Chem 44: 678-88 (2009)
Article DOI: 10.1016/j.ejmech.2008.05.018
BindingDB Entry DOI: 10.7270/Q20K28CG |
More data for this
Ligand-Target Pair | |
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial
(Homo sapiens (Human)) | BDBM50439346
(CHEMBL2420338)Show SMILES O=c1ccn(CCCCOC(c2ccccc2)c2ccccc2)c(=O)[nH]1 Show InChI InChI=1S/C21H22N2O3/c24-19-13-15-23(21(25)22-19)14-7-8-16-26-20(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-6,9-13,15,20H,7-8,14,16H2,(H,22,24,25) | PDB
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| 4.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Dundee
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human dUTPase expressed in Escherichia coli BL21 (DE3) using dUTP as substrate by spectrophotometric analysis |
Bioorg Med Chem 21: 5876-85 (2013)
Article DOI: 10.1016/j.bmc.2013.07.004
BindingDB Entry DOI: 10.7270/Q2NV9KPJ |
More data for this
Ligand-Target Pair | |
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial
(Homo sapiens (Human)) | BDBM50173555
(1-[5-(tert-Butyl-dimethyl-silanyloxymethyl)-2,5-di...)Show SMILES CC(C)(C)[Si](C)(C)OCC1OC(C=C1)n1ccc(=O)[nH]c1=O |c:12| Show InChI InChI=1S/C15H24N2O4Si/c1-15(2,3)22(4,5)20-10-11-6-7-13(21-11)17-9-8-12(18)16-14(17)19/h6-9,11,13H,10H2,1-5H3,(H,16,18,19) | PDB
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| 5.64E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cardiff University
Curated by ChEMBL
| Assay Description
Inhibitory constant against human deoxyuridine 5'-triphosphate nucleotidohydrolase expressed in Escherichia coli BL21 (DE3) cells |
J Med Chem 48: 5942-54 (2005)
Article DOI: 10.1021/jm050111e
BindingDB Entry DOI: 10.7270/Q2Z320DG |
More data for this
Ligand-Target Pair | |
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial
(Homo sapiens (Human)) | BDBM50190551
(1-[2-(tert-butyldimethylsilyloxyethoxy)methyl]urac...)Show InChI InChI=1S/C13H24N2O4Si/c1-13(2,3)20(4,5)19-9-8-18-10-15-7-6-11(16)14-12(15)17/h6-7H,8-10H2,1-5H3,(H,14,16,17) | PDB
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| 6.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cardiff University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant dUTPase |
J Med Chem 49: 4183-95 (2006)
Article DOI: 10.1021/jm060126s
BindingDB Entry DOI: 10.7270/Q22J6BF0 |
More data for this
Ligand-Target Pair | |
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial
(Homo sapiens (Human)) | BDBM50439345
(CHEMBL2420339)Show SMILES O=c1ccn(CCCCNC(c2ccccc2)c2ccccc2)c(=O)[nH]1 Show InChI InChI=1S/C21H23N3O2/c25-19-13-16-24(21(26)23-19)15-8-7-14-22-20(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-6,9-13,16,20,22H,7-8,14-15H2,(H,23,25,26) | PDB
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| 6.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Dundee
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human dUTPase expressed in Escherichia coli BL21 (DE3) using dUTP as substrate by spectrophotometric analysis |
Bioorg Med Chem 21: 5876-85 (2013)
Article DOI: 10.1016/j.bmc.2013.07.004
BindingDB Entry DOI: 10.7270/Q2NV9KPJ |
More data for this
Ligand-Target Pair | |
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial
(Homo sapiens (Human)) | BDBM50190534
(1-(3-tert-butyldimethylsilyloxypropyl)uracil | CHE...)Show InChI InChI=1S/C13H24N2O3Si/c1-13(2,3)19(4,5)18-10-6-8-15-9-7-11(16)14-12(15)17/h7,9H,6,8,10H2,1-5H3,(H,14,16,17) | PDB
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| 7.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cardiff University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant dUTPase |
J Med Chem 49: 4183-95 (2006)
Article DOI: 10.1021/jm060126s
BindingDB Entry DOI: 10.7270/Q22J6BF0 |
More data for this
Ligand-Target Pair | |
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial
(Homo sapiens (Human)) | BDBM50190564
(1-[4-acetyloxy-3-(tritylaminomethyl)butyl]uracil |...)Show SMILES CC(=O)OCC(CCn1ccc(=O)[nH]c1=O)CNC(c1ccccc1)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C30H31N3O4/c1-23(34)37-22-24(17-19-33-20-18-28(35)32-29(33)36)21-31-30(25-11-5-2-6-12-25,26-13-7-3-8-14-26)27-15-9-4-10-16-27/h2-16,18,20,24,31H,17,19,21-22H2,1H3,(H,32,35,36) | PDB
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| 7.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cardiff University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant dUTPase |
J Med Chem 49: 4183-95 (2006)
Article DOI: 10.1021/jm060126s
BindingDB Entry DOI: 10.7270/Q22J6BF0 |
More data for this
Ligand-Target Pair | |
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial
(Homo sapiens (Human)) | BDBM50341705
(CHEMBL1766652 | rac-1-[2-(Carboxy)-4-(triphenylmet...)Show SMILES OC(=O)C(CCNC(c1ccccc1)(c1ccccc1)c1ccccc1)Cn1ccc(=O)[nH]c1=O Show InChI InChI=1S/C28H27N3O4/c32-25-17-19-31(27(35)30-25)20-21(26(33)34)16-18-29-28(22-10-4-1-5-11-22,23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-15,17,19,21,29H,16,18,20H2,(H,33,34)(H,30,32,35) | PDB
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| 9.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Dundee
Curated by ChEMBL
| Assay Description
Inhibition of human dUTPase by spectrophotometric analysis |
Bioorg Med Chem 19: 2378-91 (2011)
Article DOI: 10.1016/j.bmc.2011.02.012
BindingDB Entry DOI: 10.7270/Q21J9B2W |
More data for this
Ligand-Target Pair | |
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial
(Homo sapiens (Human)) | BDBM50341704
(CHEMBL1766653 | rac-1-[2-(Acetamide)-4-(triphenylm...)Show SMILES NC(=O)C(CCNC(c1ccccc1)(c1ccccc1)c1ccccc1)Cn1ccc(=O)[nH]c1=O Show InChI InChI=1S/C28H28N4O3/c29-26(34)21(20-32-19-17-25(33)31-27(32)35)16-18-30-28(22-10-4-1-5-11-22,23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-15,17,19,21,30H,16,18,20H2,(H2,29,34)(H,31,33,35) | PDB
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| 9.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Dundee
Curated by ChEMBL
| Assay Description
Inhibition of human dUTPase by spectrophotometric analysis |
Bioorg Med Chem 19: 2378-91 (2011)
Article DOI: 10.1016/j.bmc.2011.02.012
BindingDB Entry DOI: 10.7270/Q21J9B2W |
More data for this
Ligand-Target Pair | |
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial
(Homo sapiens (Human)) | BDBM50341696
(CHEMBL1766642 | rac-1-[2-(N-Methylpiperazine)amido...)Show SMILES CN1CCN(CC1)C(=O)C(CCOC(c1ccccc1)(c1ccccc1)c1ccccc1)Cn1ccc(=O)[nH]c1=O Show InChI InChI=1S/C33H36N4O4/c1-35-20-22-36(23-21-35)31(39)26(25-37-19-17-30(38)34-32(37)40)18-24-41-33(27-11-5-2-6-12-27,28-13-7-3-8-14-28)29-15-9-4-10-16-29/h2-17,19,26H,18,20-25H2,1H3,(H,34,38,40) | PDB
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| >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Dundee
Curated by ChEMBL
| Assay Description
Inhibition of human dUTPase by spectrophotometric analysis |
Bioorg Med Chem 19: 2378-91 (2011)
Article DOI: 10.1016/j.bmc.2011.02.012
BindingDB Entry DOI: 10.7270/Q21J9B2W |
More data for this
Ligand-Target Pair | |
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial
(Homo sapiens (Human)) | BDBM50341695
(CHEMBL1766643 | rac-1-[2-(Hydroxyethylamido)-4-tri...)Show SMILES OCCNC(=O)C(CCOC(c1ccccc1)(c1ccccc1)c1ccccc1)Cn1ccc(=O)[nH]c1=O Show InChI InChI=1S/C30H31N3O5/c34-20-18-31-28(36)23(22-33-19-16-27(35)32-29(33)37)17-21-38-30(24-10-4-1-5-11-24,25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-16,19,23,34H,17-18,20-22H2,(H,31,36)(H,32,35,37) | PDB
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| >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Dundee
Curated by ChEMBL
| Assay Description
Inhibition of human dUTPase by spectrophotometric analysis |
Bioorg Med Chem 19: 2378-91 (2011)
Article DOI: 10.1016/j.bmc.2011.02.012
BindingDB Entry DOI: 10.7270/Q21J9B2W |
More data for this
Ligand-Target Pair | |
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial
(Homo sapiens (Human)) | BDBM50341709
(CHEMBL1766648 | rac-1-[2-(Ethylamido)-4-(tert-buty...)Show SMILES CCNC(=O)C(CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)Cn1ccc(=O)[nH]c1=O Show InChI InChI=1S/C27H35N3O4Si/c1-5-28-25(32)21(20-30-18-16-24(31)29-26(30)33)17-19-34-35(27(2,3)4,22-12-8-6-9-13-22)23-14-10-7-11-15-23/h6-16,18,21H,5,17,19-20H2,1-4H3,(H,28,32)(H,29,31,33) | PDB
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| >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Dundee
Curated by ChEMBL
| Assay Description
Inhibition of human dUTPase by spectrophotometric analysis |
Bioorg Med Chem 19: 2378-91 (2011)
Article DOI: 10.1016/j.bmc.2011.02.012
BindingDB Entry DOI: 10.7270/Q21J9B2W |
More data for this
Ligand-Target Pair | |
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial
(Homo sapiens (Human)) | BDBM50341701
(CHEMBL1766637 | rac-1-[2-(tert-Butyldiphenylsilylo...)Show SMILES CC(C)(C)[Si](OCCNC(=O)C(CCOC(c1ccccc1)(c1ccccc1)c1ccccc1)Cn1ccc(=O)[nH]c1=O)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C46H49N3O5Si/c1-45(2,3)55(40-25-15-7-16-26-40,41-27-17-8-18-28-41)54-34-31-47-43(51)36(35-49-32-29-42(50)48-44(49)52)30-33-53-46(37-19-9-4-10-20-37,38-21-11-5-12-22-38)39-23-13-6-14-24-39/h4-29,32,36H,30-31,33-35H2,1-3H3,(H,47,51)(H,48,50,52) | PDB
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| >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Dundee
Curated by ChEMBL
| Assay Description
Inhibition of human dUTPase by spectrophotometric analysis |
Bioorg Med Chem 19: 2378-91 (2011)
Article DOI: 10.1016/j.bmc.2011.02.012
BindingDB Entry DOI: 10.7270/Q21J9B2W |
More data for this
Ligand-Target Pair | |
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial
(Homo sapiens (Human)) | BDBM50341710
(CHEMBL1766647 | rac-1-[2-(Methylamido)-4-(tert-but...)Show SMILES CNC(=O)C(CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)Cn1ccc(=O)[nH]c1=O Show InChI InChI=1S/C26H33N3O4Si/c1-26(2,3)34(21-11-7-5-8-12-21,22-13-9-6-10-14-22)33-18-16-20(24(31)27-4)19-29-17-15-23(30)28-25(29)32/h5-15,17,20H,16,18-19H2,1-4H3,(H,27,31)(H,28,30,32) | PDB
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| >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Dundee
Curated by ChEMBL
| Assay Description
Inhibition of human dUTPase by spectrophotometric analysis |
Bioorg Med Chem 19: 2378-91 (2011)
Article DOI: 10.1016/j.bmc.2011.02.012
BindingDB Entry DOI: 10.7270/Q21J9B2W |
More data for this
Ligand-Target Pair | |
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial
(Homo sapiens (Human)) | BDBM50341702
(CHEMBL1766636 | rac-1-(2-Dimethylamido-4-trityloxy...)Show SMILES CN(C)C(=O)C(CCOC(c1ccccc1)(c1ccccc1)c1ccccc1)Cn1ccc(=O)[nH]c1=O Show InChI InChI=1S/C30H31N3O4/c1-32(2)28(35)23(22-33-20-18-27(34)31-29(33)36)19-21-37-30(24-12-6-3-7-13-24,25-14-8-4-9-15-25)26-16-10-5-11-17-26/h3-18,20,23H,19,21-22H2,1-2H3,(H,31,34,36) | PDB
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| >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Dundee
Curated by ChEMBL
| Assay Description
Inhibition of human dUTPase by spectrophotometric analysis |
Bioorg Med Chem 19: 2378-91 (2011)
Article DOI: 10.1016/j.bmc.2011.02.012
BindingDB Entry DOI: 10.7270/Q21J9B2W |
More data for this
Ligand-Target Pair | |
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial
(Homo sapiens (Human)) | BDBM50341692
(CHEMBL1766646 | rac-1-[2-(Acetamide)-4-(tert-butyl...)Show SMILES CC(C)(C)[Si](OCCC(Cn1ccc(=O)[nH]c1=O)C(N)=O)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C25H31N3O4Si/c1-25(2,3)33(20-10-6-4-7-11-20,21-12-8-5-9-13-21)32-17-15-19(23(26)30)18-28-16-14-22(29)27-24(28)31/h4-14,16,19H,15,17-18H2,1-3H3,(H2,26,30)(H,27,29,31) | PDB
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| >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Dundee
Curated by ChEMBL
| Assay Description
Inhibition of human dUTPase by spectrophotometric analysis |
Bioorg Med Chem 19: 2378-91 (2011)
Article DOI: 10.1016/j.bmc.2011.02.012
BindingDB Entry DOI: 10.7270/Q21J9B2W |
More data for this
Ligand-Target Pair | |
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial
(Homo sapiens (Human)) | BDBM50341703
(CHEMBL1766635 | rac-1-(2-Amido-4-trityloxybutyl)ur...)Show SMILES NC(=O)C(CCOC(c1ccccc1)(c1ccccc1)c1ccccc1)Cn1ccc(=O)[nH]c1=O Show InChI InChI=1S/C28H27N3O4/c29-26(33)21(20-31-18-16-25(32)30-27(31)34)17-19-35-28(22-10-4-1-5-11-22,23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-16,18,21H,17,19-20H2,(H2,29,33)(H,30,32,34) | PDB
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| >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Dundee
Curated by ChEMBL
| Assay Description
Inhibition of human dUTPase by spectrophotometric analysis |
Bioorg Med Chem 19: 2378-91 (2011)
Article DOI: 10.1016/j.bmc.2011.02.012
BindingDB Entry DOI: 10.7270/Q21J9B2W |
More data for this
Ligand-Target Pair | |
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial
(Homo sapiens (Human)) | BDBM50341693
(CHEMBL1766645 | rac-1-[2-(Carboxy)-4-(tert-butyldi...)Show SMILES CC(C)(C)[Si](OCCC(Cn1ccc(=O)[nH]c1=O)C(O)=O)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C25H30N2O5Si/c1-25(2,3)33(20-10-6-4-7-11-20,21-12-8-5-9-13-21)32-17-15-19(23(29)30)18-27-16-14-22(28)26-24(27)31/h4-14,16,19H,15,17-18H2,1-3H3,(H,29,30)(H,26,28,31) | PDB
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| >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Dundee
Curated by ChEMBL
| Assay Description
Inhibition of human dUTPase by spectrophotometric analysis |
Bioorg Med Chem 19: 2378-91 (2011)
Article DOI: 10.1016/j.bmc.2011.02.012
BindingDB Entry DOI: 10.7270/Q21J9B2W |
More data for this
Ligand-Target Pair | |
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial
(Homo sapiens (Human)) | BDBM50341694
(CHEMBL1766644 | rac-1-[2-(Carboxyethylamido)-4-tri...)Show SMILES OC(=O)CCNC(=O)C(CCOC(c1ccccc1)(c1ccccc1)c1ccccc1)Cn1ccc(=O)[nH]c1=O Show InChI InChI=1S/C31H31N3O6/c35-27-17-20-34(30(39)33-27)22-23(29(38)32-19-16-28(36)37)18-21-40-31(24-10-4-1-5-11-24,25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-15,17,20,23H,16,18-19,21-22H2,(H,32,38)(H,36,37)(H,33,35,39) | PDB
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| >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Dundee
Curated by ChEMBL
| Assay Description
Inhibition of human dUTPase by spectrophotometric analysis |
Bioorg Med Chem 19: 2378-91 (2011)
Article DOI: 10.1016/j.bmc.2011.02.012
BindingDB Entry DOI: 10.7270/Q21J9B2W |
More data for this
Ligand-Target Pair | |
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial
(Homo sapiens (Human)) | BDBM50439336
(CHEMBL2420333)Show SMILES O[C@H]1C[C@@H](O[C@@H]1C(=O)NC(c1ccccc1)c1ccccc1)n1ccc(=O)[nH]c1=O |r| Show InChI InChI=1S/C22H21N3O5/c26-16-13-18(25-12-11-17(27)23-22(25)29)30-20(16)21(28)24-19(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-12,16,18-20,26H,13H2,(H,24,28)(H,23,27,29)/t16-,18+,20-/m0/s1 | PDB
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| >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Dundee
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human dUTPase expressed in Escherichia coli BL21 (DE3) using dUTP as substrate by spectrophotometric analysis |
Bioorg Med Chem 21: 5876-85 (2013)
Article DOI: 10.1016/j.bmc.2013.07.004
BindingDB Entry DOI: 10.7270/Q2NV9KPJ |
More data for this
Ligand-Target Pair | |
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial
(Homo sapiens (Human)) | BDBM50439344
(CHEMBL2420340)Show SMILES O[C@H]1C[C@@H](O[C@@H]1CNC(c1ccccc1)c1ccccc1)n1ccc(=O)[nH]c1=O |r| Show InChI InChI=1S/C22H23N3O4/c26-17-13-20(25-12-11-19(27)24-22(25)28)29-18(17)14-23-21(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-12,17-18,20-21,23,26H,13-14H2,(H,24,27,28)/t17-,18+,20+/m0/s1 | PDB
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| >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Dundee
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human dUTPase expressed in Escherichia coli BL21 (DE3) using dUTP as substrate by spectrophotometric analysis |
Bioorg Med Chem 21: 5876-85 (2013)
Article DOI: 10.1016/j.bmc.2013.07.004
BindingDB Entry DOI: 10.7270/Q2NV9KPJ |
More data for this
Ligand-Target Pair | |
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial
(Homo sapiens (Human)) | BDBM50341700
(CHEMBL1766638 | rac-1-[2-(Carboethoxyethylamido)-4...)Show SMILES CCOC(=O)CCNC(=O)C(CCOC(c1ccccc1)(c1ccccc1)c1ccccc1)Cn1ccc(=O)[nH]c1=O Show InChI InChI=1S/C33H35N3O6/c1-2-41-30(38)18-21-34-31(39)25(24-36-22-19-29(37)35-32(36)40)20-23-42-33(26-12-6-3-7-13-26,27-14-8-4-9-15-27)28-16-10-5-11-17-28/h3-17,19,22,25H,2,18,20-21,23-24H2,1H3,(H,34,39)(H,35,37,40) | PDB
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| >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Dundee
Curated by ChEMBL
| Assay Description
Inhibition of human dUTPase by spectrophotometric analysis |
Bioorg Med Chem 19: 2378-91 (2011)
Article DOI: 10.1016/j.bmc.2011.02.012
BindingDB Entry DOI: 10.7270/Q21J9B2W |
More data for this
Ligand-Target Pair | |
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial
(Homo sapiens (Human)) | BDBM50341708
(CHEMBL1766649 | rac-1-[2-(Diethylamido)-4-(tert-bu...)Show SMILES CCN(CC)C(=O)C(CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)Cn1ccc(=O)[nH]c1=O Show InChI InChI=1S/C29H39N3O4Si/c1-6-31(7-2)27(34)23(22-32-20-18-26(33)30-28(32)35)19-21-36-37(29(3,4)5,24-14-10-8-11-15-24)25-16-12-9-13-17-25/h8-18,20,23H,6-7,19,21-22H2,1-5H3,(H,30,33,35) | PDB
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| >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Dundee
Curated by ChEMBL
| Assay Description
Inhibition of human dUTPase by spectrophotometric analysis |
Bioorg Med Chem 19: 2378-91 (2011)
Article DOI: 10.1016/j.bmc.2011.02.012
BindingDB Entry DOI: 10.7270/Q21J9B2W |
More data for this
Ligand-Target Pair | |
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial
(Homo sapiens (Human)) | BDBM50341699
(CHEMBL1766639 | rac-1-[2-(N,N-Dimethylaminoethylam...)Show SMILES CN(C)CCNC(=O)C(CCOC(c1ccccc1)(c1ccccc1)c1ccccc1)Cn1ccc(=O)[nH]c1=O Show InChI InChI=1S/C32H36N4O4/c1-35(2)22-20-33-30(38)25(24-36-21-18-29(37)34-31(36)39)19-23-40-32(26-12-6-3-7-13-26,27-14-8-4-9-15-27)28-16-10-5-11-17-28/h3-18,21,25H,19-20,22-24H2,1-2H3,(H,33,38)(H,34,37,39) | PDB
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| >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Dundee
Curated by ChEMBL
| Assay Description
Inhibition of human dUTPase by spectrophotometric analysis |
Bioorg Med Chem 19: 2378-91 (2011)
Article DOI: 10.1016/j.bmc.2011.02.012
BindingDB Entry DOI: 10.7270/Q21J9B2W |
More data for this
Ligand-Target Pair | |
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial
(Homo sapiens (Human)) | BDBM50341707
(CHEMBL1766650 | rac-benzyl 4-(4-(tert-butyldipheny...)Show SMILES CC(C)(C)[Si](OCCC(Cn1ccc(=O)[nH]c1=O)C(=O)N1CCN(CC1)C(=O)OCc1ccccc1)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C37H44N4O6Si/c1-37(2,3)48(31-15-9-5-10-16-31,32-17-11-6-12-18-32)47-26-20-30(27-41-21-19-33(42)38-35(41)44)34(43)39-22-24-40(25-23-39)36(45)46-28-29-13-7-4-8-14-29/h4-19,21,30H,20,22-28H2,1-3H3,(H,38,42,44) | PDB
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| >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Dundee
Curated by ChEMBL
| Assay Description
Inhibition of human dUTPase by spectrophotometric analysis |
Bioorg Med Chem 19: 2378-91 (2011)
Article DOI: 10.1016/j.bmc.2011.02.012
BindingDB Entry DOI: 10.7270/Q21J9B2W |
More data for this
Ligand-Target Pair | |
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial
(Homo sapiens (Human)) | BDBM50341698
(CHEMBL1766640 | rac-1-(2-Morpholinamido-4-tritylox...)Show SMILES O=C(C(CCOC(c1ccccc1)(c1ccccc1)c1ccccc1)Cn1ccc(=O)[nH]c1=O)N1CCOCC1 Show InChI InChI=1S/C32H33N3O5/c36-29-16-18-35(31(38)33-29)24-25(30(37)34-19-22-39-23-20-34)17-21-40-32(26-10-4-1-5-11-26,27-12-6-2-7-13-27)28-14-8-3-9-15-28/h1-16,18,25H,17,19-24H2,(H,33,36,38) | PDB
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| >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Dundee
Curated by ChEMBL
| Assay Description
Inhibition of human dUTPase by spectrophotometric analysis |
Bioorg Med Chem 19: 2378-91 (2011)
Article DOI: 10.1016/j.bmc.2011.02.012
BindingDB Entry DOI: 10.7270/Q21J9B2W |
More data for this
Ligand-Target Pair | |
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial
(Homo sapiens (Human)) | BDBM50341706
(CHEMBL1766651 | rac-benzyl 2-((2,4-dioxo-3,4-dihyd...)Show SMILES O=C(OCC(CCNC(c1ccccc1)(c1ccccc1)c1ccccc1)Cn1ccc(=O)[nH]c1=O)OCc1ccccc1 Show InChI InChI=1S/C36H35N3O5/c40-33-22-24-39(34(41)38-33)25-29(27-44-35(42)43-26-28-13-5-1-6-14-28)21-23-37-36(30-15-7-2-8-16-30,31-17-9-3-10-18-31)32-19-11-4-12-20-32/h1-20,22,24,29,37H,21,23,25-27H2,(H,38,40,41) | PDB
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| >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Dundee
Curated by ChEMBL
| Assay Description
Inhibition of human dUTPase by spectrophotometric analysis |
Bioorg Med Chem 19: 2378-91 (2011)
Article DOI: 10.1016/j.bmc.2011.02.012
BindingDB Entry DOI: 10.7270/Q21J9B2W |
More data for this
Ligand-Target Pair | |
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial
(Homo sapiens (Human)) | BDBM50341697
(CHEMBL1766641 | rac-1-[2-(Methoxyethylamido)-4-tri...)Show SMILES COCCNC(=O)C(CCOC(c1ccccc1)(c1ccccc1)c1ccccc1)Cn1ccc(=O)[nH]c1=O Show InChI InChI=1S/C31H33N3O5/c1-38-22-19-32-29(36)24(23-34-20-17-28(35)33-30(34)37)18-21-39-31(25-11-5-2-6-12-25,26-13-7-3-8-14-26)27-15-9-4-10-16-27/h2-17,20,24H,18-19,21-23H2,1H3,(H,32,36)(H,33,35,37) | PDB
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| >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Dundee
Curated by ChEMBL
| Assay Description
Inhibition of human dUTPase by spectrophotometric analysis |
Bioorg Med Chem 19: 2378-91 (2011)
Article DOI: 10.1016/j.bmc.2011.02.012
BindingDB Entry DOI: 10.7270/Q21J9B2W |
More data for this
Ligand-Target Pair | |
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial
(Homo sapiens (Human)) | BDBM50173573
(1-[4-(tert-Butyl-dimethyl-silanyloxy)-5-hydroxymet...)Show SMILES CC(C)(C)[Si](C)(C)O[C@H]1C[C@@H](O[C@@H]1CO)n1ccc(=O)[nH]c1=O |r| Show InChI InChI=1S/C15H26N2O5Si/c1-15(2,3)23(4,5)22-10-8-13(21-11(10)9-18)17-7-6-12(19)16-14(17)20/h6-7,10-11,13,18H,8-9H2,1-5H3,(H,16,19,20) | PDB
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| 1.19E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cardiff University
Curated by ChEMBL
| Assay Description
Inhibitory constant against human deoxyuridine 5'-triphosphate nucleotidohydrolase expressed in Escherichia coli BL21 (DE3) cells |
J Med Chem 48: 5942-54 (2005)
Article DOI: 10.1021/jm050111e
BindingDB Entry DOI: 10.7270/Q2Z320DG |
More data for this
Ligand-Target Pair | |
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial
(Homo sapiens (Human)) | BDBM50027180
(CHEMBL3143775)Show SMILES O[C@H]1C[C@@H](O[C@@H]1COP(=O)(Oc1ccccc1)Oc1ccccc1)n1ccc(=O)[nH]c1=O |r| | PDB
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| 1.35E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cardiff University
Curated by ChEMBL
| Assay Description
Inhibitory constant against human deoxyuridine 5'-triphosphate nucleotidohydrolase expressed in Escherichia coli BL21 (DE3) cells |
J Med Chem 48: 5942-54 (2005)
Article DOI: 10.1021/jm050111e
BindingDB Entry DOI: 10.7270/Q2Z320DG |
More data for this
Ligand-Target Pair | |
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial
(Homo sapiens (Human)) | BDBM50173548
(CHEMBL373232 | Phosphoric acid 5-(2,4-dioxo-3,4-di...)Show SMILES OC1CC(OC1COP(=O)(Oc1ccccc1)Oc1ccccc1)n1ccc(=O)[nH]c1=O Show InChI InChI=1S/C21H21N2O8P/c24-17-13-20(23-12-11-19(25)22-21(23)26)29-18(17)14-28-32(27,30-15-7-3-1-4-8-15)31-16-9-5-2-6-10-16/h1-12,17-18,20,24H,13-14H2,(H,22,25,26) | PDB
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| 1.35E+5 | -5.28 | n/a | n/a | n/a | n/a | n/a | 8.0 | 25 |
Instituto de Parastiologia y Biomedicina "Lopez-Neyra"
| Assay Description
Nucleotide hydrolysis was monitored by mixing enzyme and substrate with a rapid kinetic accessory (Hi-Tech Scientific) attached to a spectrophotomete... |
J Enzyme Inhib Med Chem 24: 111-6 (2009)
Article DOI: 10.1080/14756360801915476
BindingDB Entry DOI: 10.7270/Q2JH3JST |
More data for this
Ligand-Target Pair | |
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