Found 668 hits with Last Name = 'johansson' and Initial = 'ng' 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
(Plasmodium falciparum) | 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
MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
PDB
UniChem
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Similars
| PDB
Article
PubMed
| 200 | 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 Plasmodium falciparum 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 | 
3D Structure (crystal) |
Deoxyuridine 5'-triphosphate nucleotidohydrolase
(Plasmodium falciparum) | 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
MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 200 | 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 Plasmodium falciparum 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
(Plasmodium falciparum) | 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
MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| 200 | 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 Plasmodium falciparum 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 |
3D Structure (crystal) |
Deoxyuridine 5'-triphosphate nucleotidohydrolase
(Plasmodium falciparum) | 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
MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
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| PDB
Article
PubMed
| 200 | 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 Plasmodium falciparum 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 |
3D Structure (crystal) |
Deoxyuridine 5'-triphosphate nucleotidohydrolase
(Plasmodium falciparum) | 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
MMDB
KEGG
UniProtKB/TrEMBL
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DrugBank
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| 240 | 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 Plasmodium falciparum 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
(Plasmodium falciparum) | BDBM50190552
(1-[(E)-4-trityloxy-2-butenyl]uracil | CHEMBL209610)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
MMDB
KEGG
UniProtKB/TrEMBL
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DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 600 | 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 Plasmodium falciparum 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
(Plasmodium falciparum) | 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
MMDB
KEGG
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DrugBank
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| 700 | 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 Plasmodium falciparum 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
(Plasmodium falciparum) | BDBM50190555
(1-(4-tritylaminobutyl)uracil | CHEMBL211181)Show SMILES O=c1ccn(CCCCNC(c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)[nH]1 Show InChI InChI=1S/C27H27N3O2/c31-25-18-21-30(26(32)29-25)20-11-10-19-28-27(22-12-4-1-5-13-22,23-14-6-2-7-15-23)24-16-8-3-9-17-24/h1-9,12-18,21,28H,10-11,19-20H2,(H,29,31,32) | PDB
MMDB
KEGG
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GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| 900 | 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 Plasmodium falciparum 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
(Plasmodium falciparum) | 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
MMDB
KEGG
UniProtKB/TrEMBL
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 900 | 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 Plasmodium falciparum 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
(Plasmodium falciparum) | BDBM50173540
(1-[5-(tert-Butyl-diphenyl-silanyloxymethyl)-2,5-di...)Show SMILES CC(C)(C)[Si](OCC1OC(C=C1)n1ccc(=O)[nH]c1=O)(c1ccccc1)c1ccccc1 |c:10| Show InChI InChI=1S/C25H28N2O4Si/c1-25(2,3)32(20-10-6-4-7-11-20,21-12-8-5-9-13-21)30-18-19-14-15-23(31-19)27-17-16-22(28)26-24(27)29/h4-17,19,23H,18H2,1-3H3,(H,26,28,29) | PDB
MMDB
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| CHEMBL
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PubMed
| 1.16E+3 | -33.9 | 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 | |
Deoxyuridine 5'-triphosphate nucleotidohydrolase
(Plasmodium falciparum) | BDBM50173540
(1-[5-(tert-Butyl-diphenyl-silanyloxymethyl)-2,5-di...)Show SMILES CC(C)(C)[Si](OCC1OC(C=C1)n1ccc(=O)[nH]c1=O)(c1ccccc1)c1ccccc1 |c:10| Show InChI InChI=1S/C25H28N2O4Si/c1-25(2,3)32(20-10-6-4-7-11-20,21-12-8-5-9-13-21)30-18-19-14-15-23(31-19)27-17-16-22(28)26-24(27)29/h4-17,19,23H,18H2,1-3H3,(H,26,28,29) | PDB
MMDB
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| CHEMBL
PC cid
PC sid
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| Article
PubMed
| 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cardiff University
Curated by ChEMBL
| Assay Description
Inhibitory constant against Plasmodium falciparum 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
(Plasmodium falciparum) | 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
MMDB
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| 1.20E+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 Plasmodium falciparum 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
(Plasmodium falciparum) | BDBM50173535
(1-(5-Triphenylsilanyloxymethyl-2,5-dihydro-furan-2...)Show SMILES O=c1ccn(C2OC(CO[Si](c3ccccc3)(c3ccccc3)c3ccccc3)C=C2)c(=O)[nH]1 |c:32| Show InChI InChI=1S/C27H24N2O4Si/c30-25-18-19-29(27(31)28-25)26-17-16-21(33-26)20-32-34(22-10-4-1-5-11-22,23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-19,21,26H,20H2,(H,28,30,31) | PDB
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| 1.30E+3 | 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 Plasmodium falciparum 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
(Plasmodium falciparum) | 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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PubMed
| 1.30E+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 Plasmodium falciparum 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)) | 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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PubMed
| 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
(Plasmodium falciparum) | BDBM50190530
(1-(4-trityloxybutyl)uracil | CHEMBL211067)Show SMILES O=c1ccn(CCCCOC(c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)[nH]1 Show InChI InChI=1S/C27H26N2O3/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/h1-9,12-18,20H,10-11,19,21H2,(H,28,30,31) | PDB
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PubMed
| 1.60E+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 Plasmodium falciparum 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
(Plasmodium falciparum) | 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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| CHEMBL
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PC sid
UniChem
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| Article
PubMed
| 1.60E+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 Plasmodium falciparum 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
(Plasmodium falciparum) | BDBM50190562
(1-(6-triphenylsilyloxyhexyl)uracil | CHEMBL212690)Show SMILES O=c1ccn(CCCCCCO[Si](c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)[nH]1 Show InChI InChI=1S/C28H30N2O3Si/c31-27-20-22-30(28(32)29-27)21-12-1-2-13-23-33-34(24-14-6-3-7-15-24,25-16-8-4-9-17-25)26-18-10-5-11-19-26/h3-11,14-20,22H,1-2,12-13,21,23H2,(H,29,31,32) | PDB
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| Article
PubMed
| 1.70E+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 Plasmodium falciparum 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
(Plasmodium falciparum) | BDBM50190568
(1-(6-(tritylamino)hexyl)pyrimidine-2,4(1H,3H)-dion...)Show SMILES O=c1ccn(CCCCCCNC(c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)[nH]1 Show InChI InChI=1S/C29H31N3O2/c33-27-20-23-32(28(34)31-27)22-13-2-1-12-21-30-29(24-14-6-3-7-15-24,25-16-8-4-9-17-25)26-18-10-5-11-19-26/h3-11,14-20,23,30H,1-2,12-13,21-22H2,(H,31,33,34) | PDB
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PubMed
| 1.80E+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 Plasmodium falciparum 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
(Plasmodium falciparum) | BDBM50190568
(1-(6-(tritylamino)hexyl)pyrimidine-2,4(1H,3H)-dion...)Show SMILES O=c1ccn(CCCCCCNC(c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)[nH]1 Show InChI InChI=1S/C29H31N3O2/c33-27-20-23-32(28(34)31-27)22-13-2-1-12-21-30-29(24-14-6-3-7-15-24,25-16-8-4-9-17-25)26-18-10-5-11-19-26/h3-11,14-20,23,30H,1-2,12-13,21-22H2,(H,31,33,34) | PDB
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| 1.80E+3 | 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 Plasmodium falciparum 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
(Plasmodium falciparum) | 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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PubMed
| 1.80E+3 | 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 Plasmodium falciparum 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 |
3D Structure (docked) |
Deoxyuridine 5'-triphosphate nucleotidohydrolase
(Plasmodium falciparum) | 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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PubMed
| 1.80E+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 Plasmodium falciparum 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 |
3D Structure (docked) |
Deoxyuridine 5'-triphosphate nucleotidohydrolase
(Plasmodium falciparum) | 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+3 | 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 Plasmodium falciparum 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 |
3D Structure (docked) |
Deoxyuridine 5'-triphosphate nucleotidohydrolase
(Plasmodium falciparum) | BDBM50173546
(1-(5-Trityloxymethyl-2,5-dihydro-furan-2-yl)-1H-py...)Show SMILES O=c1ccn(C2OC(COC(c3ccccc3)(c3ccccc3)c3ccccc3)C=C2)c(=O)[nH]1 |c:32| Show InChI InChI=1S/C28H24N2O4/c31-25-18-19-30(27(32)29-25)26-17-16-24(34-26)20-33-28(21-10-4-1-5-11-21,22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-19,24,26H,20H2,(H,29,31,32) | PDB
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PubMed
| 1.90E+3 | 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 Plasmodium falciparum 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
(Plasmodium falciparum) | BDBM50173546
(1-(5-Trityloxymethyl-2,5-dihydro-furan-2-yl)-1H-py...)Show SMILES O=c1ccn(C2OC(COC(c3ccccc3)(c3ccccc3)c3ccccc3)C=C2)c(=O)[nH]1 |c:32| Show InChI InChI=1S/C28H24N2O4/c31-25-18-19-30(27(32)29-25)26-17-16-24(34-26)20-33-28(21-10-4-1-5-11-21,22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-19,24,26H,20H2,(H,29,31,32) | PDB
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| 1.90E+3 | -32.7 | 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 | |
Deoxyuridine 5'-triphosphate nucleotidohydrolase
(Plasmodium falciparum) | BDBM50190550
(1-(5-trityloxypentyl)uracil | CHEMBL377472)Show SMILES O=c1ccn(CCCCCOC(c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)[nH]1 Show InChI InChI=1S/C28H28N2O3/c31-26-19-21-30(27(32)29-26)20-11-4-12-22-33-28(23-13-5-1-6-14-23,24-15-7-2-8-16-24)25-17-9-3-10-18-25/h1-3,5-10,13-19,21H,4,11-12,20,22H2,(H,29,31,32) | PDB
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| Article
PubMed
| 2.00E+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 Plasmodium falciparum 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
(Plasmodium falciparum) | BDBM50190567
(1-(4-triphenylsilyloxybutyl)uracil | CHEMBL387177)Show SMILES O=c1ccn(CCCCO[Si](c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)[nH]1 Show InChI InChI=1S/C26H26N2O3Si/c29-25-18-20-28(26(30)27-25)19-10-11-21-31-32(22-12-4-1-5-13-22,23-14-6-2-7-15-23)24-16-8-3-9-17-24/h1-9,12-18,20H,10-11,19,21H2,(H,27,29,30) | PDB
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PubMed
| 2.20E+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 Plasmodium falciparum 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
(Plasmodium falciparum) | BDBM50190565
(1-[2-(hydroxymethyl)-4-(trityloxy)butyl]uracil | C...)Show SMILES OCC(CCOC(c1ccccc1)(c1ccccc1)c1ccccc1)Cn1ccc(=O)[nH]c1=O Show InChI InChI=1S/C28H28N2O4/c31-21-22(20-30-18-16-26(32)29-27(30)33)17-19-34-28(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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| 2.20E+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 Plasmodium falciparum 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
(Plasmodium falciparum) | BDBM50190558
(1-(6-trityloxyhexyl)uracil | CHEMBL378414)Show SMILES O=c1ccn(CCCCCCOC(c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)[nH]1 Show InChI InChI=1S/C29H30N2O3/c32-27-20-22-31(28(33)30-27)21-12-1-2-13-23-34-29(24-14-6-3-7-15-24,25-16-8-4-9-17-25)26-18-10-5-11-19-26/h3-11,14-20,22H,1-2,12-13,21,23H2,(H,30,32,33) | PDB
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PubMed
| 2.30E+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 Plasmodium falciparum 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
(Plasmodium falciparum) | BDBM50190533
(1-[4-(tert-butoxycarbonylamino)-3-(trityloxymethyl...)Show SMILES COC(=O)NCC(CCn1ccc(=O)[nH]c1=O)COC(c1ccccc1)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C30H31N3O5/c1-37-29(36)31-21-23(17-19-33-20-18-27(34)32-28(33)35)22-38-30(24-11-5-2-6-12-24,25-13-7-3-8-14-25)26-15-9-4-10-16-26/h2-16,18,20,23H,17,19,21-22H2,1H3,(H,31,36)(H,32,34,35) | PDB
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| 2.50E+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 Plasmodium falciparum 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
(Plasmodium falciparum) | BDBM50190545
(1-((2R,4S,5R)-4-hydroxy-5-((triphenylsilyloxy)meth...)Show SMILES O[C@H]1C[C@@H](O[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)c1ccccc1)n1ccc(=O)[nH]c1=O Show InChI InChI=1S/C27H26N2O5Si/c30-23-18-26(29-17-16-25(31)28-27(29)32)34-24(23)19-33-35(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-17,23-24,26,30H,18-19H2,(H,28,31,32)/t23-,24+,26+/m0/s1 | PDB
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| 2.80E+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 Plasmodium falciparum 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
(Plasmodium falciparum) | BDBM50190545
(1-((2R,4S,5R)-4-hydroxy-5-((triphenylsilyloxy)meth...)Show SMILES O[C@H]1C[C@@H](O[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)c1ccccc1)n1ccc(=O)[nH]c1=O Show InChI InChI=1S/C27H26N2O5Si/c30-23-18-26(29-17-16-25(31)28-27(29)32)34-24(23)19-33-35(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-17,23-24,26,30H,18-19H2,(H,28,31,32)/t23-,24+,26+/m0/s1 | PDB
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| 2.80E+3 | 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 Plasmodium falciparum 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
(Plasmodium falciparum) | BDBM50173531
(1-(4-Hydroxy-5-triphenylsilanyloxymethyl-tetrahydr...)Show SMILES OC1CC(OC1CO[Si](c1ccccc1)(c1ccccc1)c1ccccc1)n1ccc(=O)[nH]c1=O Show InChI InChI=1S/C27H26N2O5Si/c30-23-18-26(29-17-16-25(31)28-27(29)32)34-24(23)19-33-35(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-17,23-24,26,30H,18-19H2,(H,28,31,32) | PDB
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| 2.80E+3 | -31.7 | 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 | |
Deoxyuridine 5'-triphosphate nucleotidohydrolase
(Plasmodium falciparum) | BDBM50190537
(1-(5-triphenylsilyloxypentyl)uracil | CHEMBL212175)Show SMILES O=c1ccn(CCCCCO[Si](c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)[nH]1 Show InChI InChI=1S/C27H28N2O3Si/c30-26-19-21-29(27(31)28-26)20-11-4-12-22-32-33(23-13-5-1-6-14-23,24-15-7-2-8-16-24)25-17-9-3-10-18-25/h1-3,5-10,13-19,21H,4,11-12,20,22H2,(H,28,30,31) | PDB
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| 3.80E+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 Plasmodium falciparum 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
(Plasmodium falciparum) | BDBM50266744
(1-((2R,4S,5R)-5-((tert-butyldiphenylsilyloxy)methy...)Show SMILES CC(C)(C)[Si](OC[C@H]1O[C@H](C[C@@H]1O)n1ccc(=O)[nH]c1=O)(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C25H30N2O5Si/c1-25(2,3)33(18-10-6-4-7-11-18,19-12-8-5-9-13-19)31-17-21-20(28)16-23(32-21)27-15-14-22(29)26-24(27)30/h4-15,20-21,23,28H,16-17H2,1-3H3,(H,26,29,30)/t20-,21+,23+/m0/s1 | PDB
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| 4.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cardiff University
Curated by ChEMBL
| Assay Description
Inhibitory constant against Plasmodium falciparum 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
(Plasmodium falciparum) | BDBM50266744
(1-((2R,4S,5R)-5-((tert-butyldiphenylsilyloxy)methy...)Show SMILES CC(C)(C)[Si](OC[C@H]1O[C@H](C[C@@H]1O)n1ccc(=O)[nH]c1=O)(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C25H30N2O5Si/c1-25(2,3)33(18-10-6-4-7-11-18,19-12-8-5-9-13-19)31-17-21-20(28)16-23(32-21)27-15-14-22(29)26-24(27)30/h4-15,20-21,23,28H,16-17H2,1-3H3,(H,26,29,30)/t20-,21+,23+/m0/s1 | PDB
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| 4.20E+3 | 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 Plasmodium falciparum 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
(Plasmodium falciparum) | BDBM50173530
(1-[5-(tert-Butyl-diphenyl-silanyloxymethyl)-4-hydr...)Show SMILES CC(C)(C)[Si](OCC1OC(CC1O)n1ccc(=O)[nH]c1=O)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C25H30N2O5Si/c1-25(2,3)33(18-10-6-4-7-11-18,19-12-8-5-9-13-19)31-17-21-20(28)16-23(32-21)27-15-14-22(29)26-24(27)30/h4-15,20-21,23,28H,16-17H2,1-3H3,(H,26,29,30) | PDB
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| 4.20E+3 | -30.7 | 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 | |
Deoxyuridine 5'-triphosphate nucleotidohydrolase
(Plasmodium falciparum) | BDBM50190557
(1-(5-(tritylamino)pentyl)pyrimidine-2,4(1H,3H)-dio...)Show SMILES O=c1ccn(CCCCCNC(c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)[nH]1 Show InChI InChI=1S/C28H29N3O2/c32-26-19-22-31(27(33)30-26)21-12-4-11-20-29-28(23-13-5-1-6-14-23,24-15-7-2-8-16-24)25-17-9-3-10-18-25/h1-3,5-10,13-19,22,29H,4,11-12,20-21H2,(H,30,32,33) | PDB
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| 4.30E+3 | 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 Plasmodium falciparum 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
(Plasmodium falciparum) | BDBM50190557
(1-(5-(tritylamino)pentyl)pyrimidine-2,4(1H,3H)-dio...)Show SMILES O=c1ccn(CCCCCNC(c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)[nH]1 Show InChI InChI=1S/C28H29N3O2/c32-26-19-22-31(27(33)30-26)21-12-4-11-20-29-28(23-13-5-1-6-14-23,24-15-7-2-8-16-24)25-17-9-3-10-18-25/h1-3,5-10,13-19,22,29H,4,11-12,20-21H2,(H,30,32,33) | PDB
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| 4.30E+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 Plasmodium falciparum 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
(Plasmodium falciparum) | BDBM50173550
(1-(4-Fluoro-5-trityloxymethyl-tetrahydro-furan-2-y...)Show SMILES FC1CC(OC1COC(c1ccccc1)(c1ccccc1)c1ccccc1)n1ccc(=O)[nH]c1=O Show InChI InChI=1S/C28H25FN2O4/c29-23-18-26(31-17-16-25(32)30-27(31)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/h1-17,23-24,26H,18-19H2,(H,30,32,33) | PDB
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Article
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| 5.00E+3 | 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 Plasmodium falciparum 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 |
3D Structure (crystal) |
Deoxyuridine 5'-triphosphate nucleotidohydrolase
(Plasmodium falciparum) | BDBM50190544
(1-((2R,4S,5R)-4-fluoro-5-(trityloxymethyl)-tetrahy...)Show SMILES F[C@H]1C[C@@H](O[C@@H]1COC(c1ccccc1)(c1ccccc1)c1ccccc1)n1ccc(=O)[nH]c1=O Show InChI InChI=1S/C28H25FN2O4/c29-23-18-26(31-17-16-25(32)30-27(31)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/h1-17,23-24,26H,18-19H2,(H,30,32,33)/t23-,24+,26+/m0/s1 | PDB
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Article
PubMed
| 5.00E+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 Plasmodium falciparum 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 |
3D Structure (crystal) |
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 |
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
(Plasmodium falciparum) | BDBM50173567
(1-[5-(tert-Butyl-dimethyl-silanyloxymethyl)-4-fluo...)Show SMILES CC(C)(C)[Si](C)(C)OCC1OC(CC1F)n1ccc(=O)[nH]c1=O Show InChI InChI=1S/C15H25FN2O4Si/c1-15(2,3)23(4,5)21-9-11-10(16)8-13(22-11)18-7-6-12(19)17-14(18)20/h6-7,10-11,13H,8-9H2,1-5H3,(H,17,19,20) | PDB
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| 6.28E+3 | -29.7 | 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 | |
Deoxyuridine 5'-triphosphate nucleotidohydrolase
(Plasmodium falciparum) | BDBM50266819
(1-(6-(tert-butyldiphenylsilylamino)hexyl)pyrimidin...)Show SMILES CC(C)(C)[Si](NCCCCCCn1ccc(=O)[nH]c1=O)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C26H35N3O2Si/c1-26(2,3)32(22-14-8-6-9-15-22,23-16-10-7-11-17-23)27-19-12-4-5-13-20-29-21-18-24(30)28-25(29)31/h6-11,14-18,21,27H,4-5,12-13,19-20H2,1-3H3,(H,28,30,31) | PDB
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| 8.50E+3 | 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 Plasmodium falciparum 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
(Plasmodium falciparum) | BDBM50190563
(1-(4-tert-butyldiphenylsilyloxyhexyl)uracil | CHEM...)Show SMILES CC(C)(C)[Si](OCCCCCCn1ccc(=O)[nH]c1=O)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C26H34N2O3Si/c1-26(2,3)32(22-14-8-6-9-15-22,23-16-10-7-11-17-23)31-21-13-5-4-12-19-28-20-18-24(29)27-25(28)30/h6-11,14-18,20H,4-5,12-13,19,21H2,1-3H3,(H,27,29,30) | PDB
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| 8.50E+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 Plasmodium falciparum 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
(Plasmodium falciparum) | BDBM50190546
(1-(3-benzoyloxypropyl)uracil | CHEMBL209179)Show InChI InChI=1S/C14H14N2O4/c17-12-7-9-16(14(19)15-12)8-4-10-20-13(18)11-5-2-1-3-6-11/h1-3,5-7,9H,4,8,10H2,(H,15,17,19) | PDB
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| 9.20E+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 Plasmodium falciparum 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
(Plasmodium falciparum) | 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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| 1.00E+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 Plasmodium falciparum 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
(Plasmodium falciparum) | BDBM50173563
(1-{4-Fluoro-5-[(trityl-amino)-methyl]-tetrahydro-f...)Show SMILES FC1CC(OC1CNC(c1ccccc1)(c1ccccc1)c1ccccc1)n1ccc(=O)[nH]c1=O Show InChI InChI=1S/C28H26FN3O3/c29-23-18-26(32-17-16-25(33)31-27(32)34)35-24(23)19-30-28(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-17,23-24,26,30H,18-19H2,(H,31,33,34) | PDB
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| 1.20E+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 Plasmodium falciparum 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 |
3D Structure (docked) |
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