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Compile Data Set for Download or QSAR

Found 612 hits Enz. Inhib. hit(s) with Target = 'dUTP pyrophosphatase'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
dUTP pyrophosphatase


(Plasmodium falciparum)
BDBM50173540
PNG
(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
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)
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Article
PubMed
1.16E+3 -33.9n/an/an/an/an/a8.025



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
dUTP pyrophosphatase


(Plasmodium falciparum)
BDBM50173546
PNG
(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
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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Article
PubMed
1.90E+3 -32.7n/an/an/an/an/a8.025



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
dUTP pyrophosphatase


(Plasmodium falciparum)
BDBM50173531
PNG
(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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Article
PubMed
2.80E+3 -31.7n/an/an/an/an/a8.025



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
dUTP pyrophosphatase


(Plasmodium falciparum)
BDBM50173530
PNG
(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)
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Article
PubMed
4.20E+3 -30.7n/an/an/an/an/a8.025



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
dUTP pyrophosphatase


(Plasmodium falciparum)
BDBM50173567
PNG
(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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Article
PubMed
6.28E+3 -29.7n/an/an/an/an/a8.025



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
dUTP pyrophosphatase


(Plasmodium falciparum)
BDBM91592
PNG
(dUTPase inhibitor, 3)
Show SMILES O=C(OCC1OC(C=C1)n1ccc(=O)[nH]c1=O)C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C20H24N2O5/c23-16-3-4-22(19(25)21-16)17-2-1-15(27-17)11-26-18(24)20-8-12-5-13(9-20)7-14(6-12)10-20/h1-4,12-15,17H,5-11H2,(H,21,23,25)
PDB
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Article
PubMed
5.77E+4 -24.2n/an/an/an/an/a8.025



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
dUTP pyrophosphatase


(Plasmodium falciparum)
BDBM50173532
PNG
(1-[5-(tert-Butyl-diphenyl-silanyloxymethyl)-4-fluo...)
Show SMILES CC(C)(C)[Si](OCC1OC(CC1F)n1ccc(=O)[nH]c1=O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H29FN2O4Si/c1-25(2,3)33(18-10-6-4-7-11-18,19-12-8-5-9-13-19)31-17-21-20(26)16-23(32-21)28-15-14-22(29)27-24(28)30/h4-15,20-21,23H,16-17H2,1-3H3,(H,27,29,30)
PDB
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Article
PubMed
8.94E+4 -23.1n/an/an/an/an/a8.025



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
dUTP pyrophosphatase


(Plasmodium falciparum)
BDBM50173576
PNG
(1-[5-(Benzylamino-methyl)-4-hydroxy-tetrahydro-fur...)
Show SMILES OC1CC(OC1CNCc1ccccc1)n1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C16H19N3O4/c20-12-8-15(19-7-6-14(21)18-16(19)22)23-13(12)10-17-9-11-4-2-1-3-5-11/h1-7,12-13,15,17,20H,8-10H2,(H,18,21,22)
PDB
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Article
PubMed
1.11E+5 -22.6n/an/an/an/an/a8.025



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 (dUTPase)


(Homo sapiens (Human))
BDBM50173548
PNG
(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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Article
PubMed
1.35E+5 -22.1n/an/an/an/an/a8.025



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 (dUTPase)


(Homo sapiens (Human))
BDBM50173546
PNG
(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
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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Article
PubMed
1.56E+5 -21.7n/an/an/an/an/a8.025



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
dUTP pyrophosphatase


(Plasmodium falciparum)
BDBM50173566
PNG
(1-(4-Hydroxy-5-triisopropylsilanyloxymethyl-tetrah...)
Show SMILES CC(C)[Si](OCC1OC(CC1O)n1ccc(=O)[nH]c1=O)(C(C)C)C(C)C
Show InChI InChI=1S/C18H32N2O5Si/c1-11(2)26(12(3)4,13(5)6)24-10-15-14(21)9-17(25-15)20-8-7-16(22)19-18(20)23/h7-8,11-15,17,21H,9-10H2,1-6H3,(H,19,22,23)
PDB
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Article
PubMed
2.27E+5 -20.8n/an/an/an/an/a8.025



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
dUTP pyrophosphatase


(Plasmodium falciparum)
BDBM50173548
PNG
(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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Article
PubMed
2.38E+5 -20.7n/an/an/an/an/a8.025



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
dUTP pyrophosphatase


(Plasmodium falciparum)
BDBM50173554
PNG
(CHEMBL194480 | Hexadecanoic acid 5-(2,4-dioxo-3,4-...)
Show SMILES CCCCCCCCCCCCCCCC(=O)OCC1OC(C=C1)n1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C25H40N2O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-24(29)31-20-21-16-17-23(32-21)27-19-18-22(28)26-25(27)30/h16-19,21,23H,2-15,20H2,1H3,(H,26,28,30)
PDB
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Article
PubMed
2.56E+5 -20.5n/an/an/an/an/a8.025



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 (dUTPase)


(Homo sapiens (Human))
BDBM91592
PNG
(dUTPase inhibitor, 3)
Show SMILES O=C(OCC1OC(C=C1)n1ccc(=O)[nH]c1=O)C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C20H24N2O5/c23-16-3-4-22(19(25)21-16)17-2-1-15(27-17)11-26-18(24)20-8-12-5-13(9-20)7-14(6-12)10-20/h1-4,12-15,17H,5-11H2,(H,21,23,25)
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PubMed
2.98E+5 -20.1n/an/an/an/an/a8.025



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 (dUTPase)


(Homo sapiens (Human))
BDBM50173554
PNG
(CHEMBL194480 | Hexadecanoic acid 5-(2,4-dioxo-3,4-...)
Show SMILES CCCCCCCCCCCCCCCC(=O)OCC1OC(C=C1)n1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C25H40N2O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-24(29)31-20-21-16-17-23(32-21)27-19-18-22(28)26-25(27)30/h16-19,21,23H,2-15,20H2,1H3,(H,26,28,30)
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PubMed
3.50E+5 -19.7n/an/an/an/an/a8.025



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 (dUTPase)


(Homo sapiens (Human))
BDBM50173530
PNG
(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)
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PubMed
8.05E+5 -17.7n/an/an/an/an/a8.025



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 (dUTPase)


(Homo sapiens (Human))
BDBM50173532
PNG
(1-[5-(tert-Butyl-diphenyl-silanyloxymethyl)-4-fluo...)
Show SMILES CC(C)(C)[Si](OCC1OC(CC1F)n1ccc(=O)[nH]c1=O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H29FN2O4Si/c1-25(2,3)33(18-10-6-4-7-11-18,19-12-8-5-9-13-19)31-17-21-20(26)16-23(32-21)28-15-14-22(29)27-24(28)30/h4-15,20-21,23H,16-17H2,1-3H3,(H,27,29,30)
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Article
PubMed
8.07E+5 -17.7n/an/an/an/an/a8.025



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 (dUTPase)


(Homo sapiens (Human))
BDBM50173531
PNG
(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)
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Article
PubMed
9.08E+5 -17.4n/an/an/an/an/a8.025



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 (dUTPase)


(Homo sapiens (Human))
BDBM50173567
PNG
(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)
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>1.00E+6>-17.1n/an/an/an/an/a8.025



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 (dUTPase)


(Homo sapiens (Human))
BDBM50173540
PNG
(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
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)
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>1.00E+6>-17.1n/an/an/an/an/a8.025



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 (dUTPase)


(Homo sapiens (Human))
BDBM50173566
PNG
(1-(4-Hydroxy-5-triisopropylsilanyloxymethyl-tetrah...)
Show SMILES CC(C)[Si](OCC1OC(CC1O)n1ccc(=O)[nH]c1=O)(C(C)C)C(C)C
Show InChI InChI=1S/C18H32N2O5Si/c1-11(2)26(12(3)4,13(5)6)24-10-15-14(21)9-17(25-15)20-8-7-16(22)19-18(20)23/h7-8,11-15,17,21H,9-10H2,1-6H3,(H,19,22,23)
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1.00E+6 -17.1n/an/an/an/an/a8.025



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 (dUTPase)


(Homo sapiens (Human))
BDBM50173576
PNG
(1-[5-(Benzylamino-methyl)-4-hydroxy-tetrahydro-fur...)
Show SMILES OC1CC(OC1CNCc1ccccc1)n1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C16H19N3O4/c20-12-8-15(19-7-6-14(21)18-16(19)22)23-13(12)10-17-9-11-4-2-1-3-5-11/h1-7,12-13,15,17,20H,8-10H2,(H,18,21,22)
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1.00E+6 -17.1n/an/an/an/an/a8.025



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
dUTP pyrophosphatase


(Plasmodium falciparum)
BDBM50190543
PNG
(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
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
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200n/an/an/an/an/an/an/an/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
3D Structure (crystal)
dUTP pyrophosphatase


(Plasmodium falciparum)
BDBM50190556
PNG
(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)
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200n/an/an/an/an/an/an/an/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
dUTP pyrophosphatase


(Plasmodium falciparum)
BDBM50190543
PNG
(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
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
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200n/an/an/an/an/an/an/an/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
3D Structure (crystal)
dUTP pyrophosphatase


(Plasmodium falciparum)
BDBM50173577
PNG
(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)
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200n/an/an/an/an/an/an/an/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
3D Structure (crystal)
dUTP pyrophosphatase


(Plasmodium falciparum)
BDBM50190549
PNG
(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)
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240n/an/an/an/an/an/an/an/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 (dUTPase)


(Homo sapiens (Human))
BDBM50386618
PNG
(CHEMBL2048443)
Show SMILES O[C@H]1C[C@@H](O[C@@H]1COP(O)(=O)CP(O)(=O)OP(O)(=O)OCc1ccccc1)n1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C17H23N2O13P3/c20-13-8-16(19-7-6-15(21)18-17(19)22)31-14(13)10-29-33(23,24)11-34(25,26)32-35(27,28)30-9-12-4-2-1-3-5-12/h1-7,13-14,16,20H,8-11H2,(H,23,24)(H,25,26)(H,27,28)(H,18,21,22)/t13-,14+,16+/m0/s1
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300n/an/an/an/an/an/an/an/a



Taiho Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human dUTPase


J Med Chem 55: 2960-9 (2012)


Article DOI: 10.1021/jm201627n
BindingDB Entry DOI: 10.7270/Q2WQ04VS
More data for this
Ligand-Target Pair
dUTP pyrophosphatase


(Plasmodium falciparum)
BDBM50190552
PNG
(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+
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600n/an/an/an/an/an/an/an/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
dUTP pyrophosphatase


(Plasmodium falciparum)
BDBM50190553
PNG
(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)
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700n/an/an/an/an/an/an/an/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
dUTP pyrophosphatase


(Plasmodium falciparum)
BDBM50190532
PNG
(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)
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900n/an/an/an/an/an/an/an/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
dUTP pyrophosphatase


(Plasmodium falciparum)
BDBM50190555
PNG
(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)
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900n/an/an/an/an/an/an/an/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
dUTP pyrophosphatase


(Plasmodium falciparum)
BDBM50173540
PNG
(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
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)
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1.20E+3n/an/an/an/an/an/an/an/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
dUTP pyrophosphatase


(Plasmodium falciparum)
BDBM50190531
PNG
(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-
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1.20E+3n/an/an/an/an/an/an/an/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
dUTP pyrophosphatase


(Plasmodium falciparum)
BDBM50190564
PNG
(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)
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1.30E+3n/an/an/an/an/an/an/an/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
dUTP pyrophosphatase


(Plasmodium falciparum)
BDBM50173535
PNG
(1-(5-Triphenylsilanyloxymethyl-2,5-dihydro-furan-2...)
Show SMILES O=c1ccn(C2OC(CO[Si](c3ccccc3)(c3ccccc3)c3ccccc3)C=C2)c(=O)[nH]1
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)
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1.30E+3n/an/an/an/an/an/an/an/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 (dUTPase)


(Homo sapiens (Human))
BDBM50190556
PNG
(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)
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1.40E+3n/an/an/an/an/an/an/an/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 (dUTPase)


(Homo sapiens (Human))
BDBM50190556
PNG
(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)
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1.40E+3n/an/an/an/an/an/an/an/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
dUTP pyrophosphatase


(Plasmodium falciparum)
BDBM50190530
PNG
(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)
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1.60E+3n/an/an/an/an/an/an/an/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
dUTP pyrophosphatase


(Plasmodium falciparum)
BDBM50190547
PNG
(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)
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1.60E+3n/an/an/an/an/an/an/an/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
dUTP pyrophosphatase


(Plasmodium falciparum)
BDBM50190562
PNG
(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)
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1.70E+3n/an/an/an/an/an/an/an/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
dUTP pyrophosphatase


(Plasmodium falciparum)
BDBM50173539
PNG
(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
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)
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1.80E+3n/an/an/an/an/an/an/an/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
3D Structure (docked)
dUTP pyrophosphatase


(Plasmodium falciparum)
BDBM50173539
PNG
(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
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)
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1.80E+3n/an/an/an/an/an/an/an/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
3D Structure (docked)
dUTP pyrophosphatase


(Plasmodium falciparum)
BDBM50190568
PNG
(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)
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1.80E+3n/an/an/an/an/an/an/an/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
dUTP pyrophosphatase


(Plasmodium falciparum)
BDBM50173539
PNG
(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
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)
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1.80E+3n/an/an/an/an/an/an/an/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
3D Structure (docked)
dUTP pyrophosphatase


(Plasmodium falciparum)
BDBM50190568
PNG
(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)
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1.80E+3n/an/an/an/an/an/an/an/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
dUTP pyrophosphatase


(Plasmodium falciparum)
BDBM50173546
PNG
(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
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)
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1.90E+3n/an/an/an/an/an/an/an/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
dUTP pyrophosphatase


(Plasmodium falciparum)
BDBM50190550
PNG
(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)
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2.00E+3n/an/an/an/an/an/an/an/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
dUTP pyrophosphatase


(Plasmodium falciparum)
BDBM50190565
PNG
(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)
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2.20E+3n/an/an/an/an/an/an/an/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
dUTP pyrophosphatase


(Plasmodium falciparum)
BDBM50190567
PNG
(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)
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2.20E+3n/an/an/an/an/an/an/an/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
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