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Compile Data Set for Download or QSAR

Found 143 hits with Last Name = 'leal-cortijo' and Initial = 'i'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Deoxyuridine 5'-triphosphate nucleotidohydrolase


(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)
Deoxyuridine 5'-triphosphate nucleotidohydrolase


(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 |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)
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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
Deoxyuridine 5'-triphosphate nucleotidohydrolase


(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 |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)
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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


(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 |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)
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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)
Deoxyuridine 5'-triphosphate nucleotidohydrolase


(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 |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)
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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
Deoxyuridine 5'-triphosphate nucleotidohydrolase


(Plasmodium falciparum)		BDBM50190545
PNG
(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
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 2.80E+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
Deoxyuridine 5'-triphosphate nucleotidohydrolase


(Plasmodium falciparum)		BDBM50266744
PNG
(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
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 4.20E+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
Deoxyuridine 5'-triphosphate nucleotidohydrolase


(Plasmodium falciparum)		BDBM50173550
PNG
(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)
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 5.00E+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 (crystal)
Deoxyuridine 5'-triphosphate nucleotidohydrolase


(Plasmodium falciparum)		BDBM50173555
PNG
(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)
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 1.00E+4n/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


(Plasmodium falciparum)		BDBM50173563
PNG
(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)
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 1.20E+4n/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)
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial


(Homo sapiens (Human))		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 |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)
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>1.80E+4n/an/an/an/an/an/an/an/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


(Plasmodium falciparum)		BDBM50173551
PNG
(CHEMBL194269 | [5-(2,4-Dioxo-3,4-dihydro-2H-pyrimi...)
Show SMILES OC1CC(OC1CNP(=O)(Oc1ccccc1)Oc1ccccc1)n1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C21H22N3O7P/c25-17-13-20(24-12-11-19(26)23-21(24)27)29-18(17)14-22-32(28,30-15-7-3-1-4-8-15)31-16-9-5-2-6-10-16/h1-12,17-18,20,25H,13-14H2,(H,22,28)(H,23,26,27)
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 2.60E+4n/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, mitochondrial


(Homo sapiens (Human))		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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 4.60E+4n/an/an/an/an/an/an/an/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))		BDBM50173555
PNG
(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)
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 5.64E+4n/an/an/an/an/an/an/an/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


(Plasmodium falciparum)		BDBM50173545
PNG
(CHEMBL198043 | Octahydro-2,4-methano-indene-2-carb...)
Show SMILES O=C(OCC1OC(C=C1)n1ccc(=O)[nH]c1=O)C12CC3CCCC(C1)C3C2 |c:7|
Show InChI InChI=1S/C20H24N2O5/c23-16-6-7-22(19(25)21-16)17-5-4-14(27-17)11-26-18(24)20-8-12-2-1-3-13(9-20)15(12)10-20/h4-7,12-15,17H,1-3,8-11H2,(H,21,23,25)
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 5.80E+4n/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


(Plasmodium falciparum)		BDBM50173570
PNG
(CHEMBL197449 | [3-(tert-Butyl-dimethyl-silanyloxy)...)
Show SMILES CC(C)(C)[Si](C)(C)OC1CC(OC1CNP(=O)(Oc1ccccc1)Oc1ccccc1)n1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C27H36N3O7PSi/c1-27(2,3)39(4,5)37-22-18-25(30-17-16-24(31)29-26(30)32)34-23(22)19-28-38(33,35-20-12-8-6-9-13-20)36-21-14-10-7-11-15-21/h6-17,22-23,25H,18-19H2,1-5H3,(H,28,33)(H,29,31,32)
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 6.70E+4n/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


(Plasmodium falciparum)		BDBM50173543
PNG
(CHEMBL194479 | [5-(2,4-dioxo-3,4-dihydropyrimidin-...)
Show SMILES NS(=O)(=O)NC(=O)OCC1OC(C=C1)n1ccc(=O)[nH]c1=O |c:12|
Show InChI InChI=1S/C10H12N4O7S/c11-22(18,19)13-10(17)20-5-6-1-2-8(21-6)14-4-3-7(15)12-9(14)16/h1-4,6,8H,5H2,(H,13,17)(H2,11,18,19)(H,12,15,16)
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 8.20E+4n/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


(Plasmodium falciparum)		BDBM50173568
PNG
(CHEMBL3143774 | Sulfamic acid 3-(tert-butyl-dimeth...)
Show SMILES CC(C)(C)[Si](C)(C)O[C@H]1C[C@@H](O[C@@H]1COS(N)(=O)=O)n1ccc(=O)[nH]c1=O |r|
Show InChI InChI=1S/C15H27N3O7SSi/c1-15(2,3)27(4,5)25-10-8-13(18-7-6-12(19)17-14(18)20)24-11(10)9-23-26(16,21)22/h6-7,10-11,13H,8-9H2,1-5H3,(H2,16,21,22)(H,17,19,20)
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 8.80E+4n/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


(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)
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 8.90E+4n/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


(Plasmodium falciparum)		BDBM50173544
PNG
(CHEMBL198661 | Phosphoric acid 5-(2,4-dioxo-3,4-di...)
Show SMILES O=c1ccn(C2OC(COP(=O)(Oc3ccccc3)Oc3ccccc3)C=C2)c(=O)[nH]1 |c:28|
Show InChI InChI=1S/C21H19N2O7P/c24-19-13-14-23(21(25)22-19)20-12-11-18(28-20)15-27-31(26,29-16-7-3-1-4-8-16)30-17-9-5-2-6-10-17/h1-14,18,20H,15H2,(H,22,24,25)
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 9.90E+4n/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


(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)
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 1.11E+5n/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


(Plasmodium falciparum)		BDBM50173573
PNG
(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)
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 1.14E+5n/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
Putative deoxyuridine triphosphatase


(Leishmania major)		BDBM50173573
PNG
(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)
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 1.14E+5n/an/an/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibitory constant against Leishmania major deoxyuridine 5'-triphosphate nucleotidohydrolase

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))		BDBM50173573
PNG
(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)
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 1.19E+5n/an/an/an/an/an/an/an/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


(Plasmodium falciparum)		BDBM50173553
PNG
((Diethoxy-phosphoryl)-acetic acid 5-(2,4-dioxo-3,4...)
Show SMILES CCOP(=O)(CC(=O)OC[C@H]1O[C@H](C[C@@H]1O)n1ccc(=O)[nH]c1=O)OCC |r|
Show InChI InChI=1S/C15H23N2O9P/c1-3-24-27(22,25-4-2)9-14(20)23-8-11-10(18)7-13(26-11)17-6-5-12(19)16-15(17)21/h5-6,10-11,13,18H,3-4,7-9H2,1-2H3,(H,16,19,21)
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 1.23E+5n/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, mitochondrial


(Homo sapiens (Human))		BDBM50027180
PNG
(CHEMBL3143775)
Show SMILES O[C@H]1C[C@@H](O[C@@H]1COP(=O)(Oc1ccccc1)Oc1ccccc1)n1ccc(=O)[nH]c1=O |r|
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 1.35E+5n/an/an/an/an/an/an/an/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


(Plasmodium falciparum)		BDBM50173560
PNG
(CHEMBL3143783 | Toluene-4-sulfonic acid 5-(2,4-dio...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)OC[C@H]1O[C@H](C[C@@H]1O)n1ccc(=O)[nH]c1=O |r|
Show InChI InChI=1S/C16H18N2O7S/c1-10-2-4-11(5-3-10)26(22,23)24-9-13-12(19)8-15(25-13)18-7-6-14(20)17-16(18)21/h2-7,12-13,15,19H,8-9H2,1H3,(H,17,20,21)
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 1.42E+5n/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, mitochondrial


(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 |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)
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 1.57E+5n/an/an/an/an/an/an/an/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
Putative deoxyuridine triphosphatase


(Leishmania major)		BDBM50173550
PNG
(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)
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 1.77E+5n/an/an/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibitory constant against Leishmania major deoxyuridine 5'-triphosphate nucleotidohydrolase

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)		BDBM50173547
PNG
(CHEMBL194845 | N-[5-(2,4-Dioxo-3,4-dihydro-2H-pyri...)
Show SMILES CS(=O)(=O)NCC1OC(CC1O)n1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C10H15N3O6S/c1-20(17,18)11-5-7-6(14)4-9(19-7)13-3-2-8(15)12-10(13)16/h2-3,6-7,9,11,14H,4-5H2,1H3,(H,12,15,16)
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 1.78E+5n/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)
Deoxyuridine 5'-triphosphate nucleotidohydrolase


(Plasmodium falciparum)		BDBM50173572
PNG
(CHEMBL198168 | N-[5-(2,4-Dioxo-3,4-dihydro-2H-pyri...)
Show SMILES OC1CC(OC1CNC(=O)c1ccccc1)n1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C16H17N3O5/c20-11-8-14(19-7-6-13(21)18-16(19)23)24-12(11)9-17-15(22)10-4-2-1-3-5-10/h1-7,11-12,14,20H,8-9H2,(H,17,22)(H,18,21,23)
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 1.78E+5n/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)
Putative deoxyuridine triphosphatase


(Leishmania major)		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 |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)
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 1.78E+5n/an/an/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibitory constant against Leishmania major deoxyuridine 5'-triphosphate nucleotidohydrolase

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)		BDBM50173538
PNG
(CHEMBL372635 | Pentanoic acid [5-(2,4-dioxo-3,4-di...)
Show SMILES CCCCC(=O)NCC1OC(CC1O)n1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C14H21N3O5/c1-2-3-4-11(19)15-8-10-9(18)7-13(22-10)17-6-5-12(20)16-14(17)21/h5-6,9-10,13,18H,2-4,7-8H2,1H3,(H,15,19)(H,16,20,21)
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 1.89E+5n/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)
Deoxyuridine 5'-triphosphate nucleotidohydrolase


(Plasmodium falciparum)		BDBM50173562
PNG
((Diethoxy-phosphoryl)-acetic acid 3-(tert-butyl-di...)
Show SMILES CCOP(=O)(CC(=O)OC[C@H]1O[C@H](C[C@@H]1O[Si](C)(C)C(C)(C)C)n1ccc(=O)[nH]c1=O)OCC |r|
Show InChI InChI=1S/C21H37N2O9PSi/c1-8-29-33(27,30-9-2)14-19(25)28-13-16-15(32-34(6,7)21(3,4)5)12-18(31-16)23-11-10-17(24)22-20(23)26/h10-11,15-16,18H,8-9,12-14H2,1-7H3,(H,22,24,26)
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 2.17E+5n/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


(Plasmodium falciparum)		BDBM50027181
PNG
(CHEMBL3143785)
Show SMILES CC(C)[Si](OC[C@H]1O[C@H](C[C@@H]1O)n1ccc(=O)[nH]c1=O)(C(C)C)C(C)C |r|
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 2.27E+5n/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


(Plasmodium falciparum)		BDBM50173558
PNG
(CHEMBL3143779 | Pentanoic acid 5-(2,4-dioxo-3,4-di...)
Show SMILES CCCCC(=O)OC[C@H]1O[C@H](C[C@@H]1O)n1ccc(=O)[nH]c1=O |r|
Show InChI InChI=1S/C14H20N2O6/c1-2-3-4-13(19)21-8-10-9(17)7-12(22-10)16-6-5-11(18)15-14(16)20/h5-6,9-10,12,17H,2-4,7-8H2,1H3,(H,15,18,20)
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 2.28E+5n/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, mitochondrial


(Homo sapiens (Human))		BDBM50173570
PNG
(CHEMBL197449 | [3-(tert-Butyl-dimethyl-silanyloxy)...)
Show SMILES CC(C)(C)[Si](C)(C)OC1CC(OC1CNP(=O)(Oc1ccccc1)Oc1ccccc1)n1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C27H36N3O7PSi/c1-27(2,3)39(4,5)37-22-18-25(30-17-16-24(31)29-26(30)32)34-23(22)19-28-38(33,35-20-12-8-6-9-13-20)36-21-14-10-7-11-15-21/h6-17,22-23,25H,18-19H2,1-5H3,(H,28,33)(H,29,31,32)
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 2.32E+5n/an/an/an/an/an/an/an/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


(Plasmodium falciparum)		BDBM50027180
PNG
(CHEMBL3143775)
Show SMILES O[C@H]1C[C@@H](O[C@@H]1COP(=O)(Oc1ccccc1)Oc1ccccc1)n1ccc(=O)[nH]c1=O |r|
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 2.38E+5n/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


(Plasmodium falciparum)		BDBM50173552
PNG
(CHEMBL3143773 | {3-[(tert-butyldimethylsilyl)oxy]-...)
Show SMILES CC(C)(C)[Si](C)(C)O[C@H]1C[C@@H](O[C@@H]1COC(=O)NS(N)(=O)=O)n1ccc(=O)[nH]c1=O |r|
Show InChI InChI=1S/C16H28N4O8SSi/c1-16(2,3)30(4,5)28-10-8-13(20-7-6-12(21)18-14(20)22)27-11(10)9-26-15(23)19-29(17,24)25/h6-7,10-11,13H,8-9H2,1-5H3,(H,19,23)(H2,17,24,25)(H,18,21,22)
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 2.44E+5n/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


(Plasmodium falciparum)		BDBM50173537
PNG
(CHEMBL197746 | Sulfamic acid 5-(2,4-dioxo-3,4-dihy...)
Show SMILES NS(=O)(=O)OCC1OC(C=C1)n1ccc(=O)[nH]c1=O |c:9|
Show InChI InChI=1S/C9H11N3O6S/c10-19(15,16)17-5-6-1-2-8(18-6)12-4-3-7(13)11-9(12)14/h1-4,6,8H,5H2,(H2,10,15,16)(H,11,13,14)
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 2.54E+5n/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


(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 |c:22|
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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 2.56E+5n/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


(Plasmodium falciparum)		BDBM50173556
PNG
(Benzoic acid 5-(2,4-dioxo-3,4-dihydro-2H-pyrimidin...)
Show SMILES O[C@H]1C[C@@H](O[C@@H]1COC(=O)c1ccccc1)n1ccc(=O)[nH]c1=O |r|
Show InChI InChI=1S/C16H16N2O6/c19-11-8-14(18-7-6-13(20)17-16(18)22)24-12(11)9-23-15(21)10-4-2-1-3-5-10/h1-7,11-12,14,19H,8-9H2,(H,17,20,22)
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 2.68E+5n/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


(Plasmodium falciparum)		BDBM50173541
PNG
(Acetic acid 5-(2,4-dioxo-3,4-dihydro-2H-pyrimidin-...)
Show SMILES CC(=O)OC[C@H]1O[C@H](C[C@@H]1O)n1ccc(=O)[nH]c1=O |r|
Show InChI InChI=1S/C11H14N2O6/c1-6(14)18-5-8-7(15)4-10(19-8)13-3-2-9(16)12-11(13)17/h2-3,7-8,10,15H,4-5H2,1H3,(H,12,16,17)
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 2.94E+5n/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, mitochondrial


(Homo sapiens (Human))		BDBM50173545
PNG
(CHEMBL198043 | Octahydro-2,4-methano-indene-2-carb...)
Show SMILES O=C(OCC1OC(C=C1)n1ccc(=O)[nH]c1=O)C12CC3CCCC(C1)C3C2 |c:7|
Show InChI InChI=1S/C20H24N2O5/c23-16-6-7-22(19(25)21-16)17-5-4-14(27-17)11-26-18(24)20-8-12-2-1-3-13(9-20)15(12)10-20/h4-7,12-15,17H,1-3,8-11H2,(H,21,23,25)
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 2.98E+5n/an/an/an/an/an/an/an/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


(Plasmodium falciparum)		BDBM50013115
PNG
(1-((2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl...)
Show SMILES OC[C@H]1O[C@H](C=C1)n1ccc(=O)[nH]c1=O |c:5|
Show InChI InChI=1S/C9H10N2O4/c12-5-6-1-2-8(15-6)11-4-3-7(13)10-9(11)14/h1-4,6,8,12H,5H2,(H,10,13,14)/t6-,8+/m0/s1
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 2.98E+5n/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
Putative deoxyuridine triphosphatase


(Leishmania major)		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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 3.04E+5n/an/an/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibitory constant against Leishmania major deoxyuridine 5'-triphosphate nucleotidohydrolase

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)		BDBM50173536
PNG
(1-{4-(tert-Butyl-dimethyl-silanyloxy)-5-[(trityl-a...)
Show SMILES CC(C)(C)[Si](C)(C)OC1CC(OC1CNC(c1ccccc1)(c1ccccc1)c1ccccc1)n1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C34H41N3O4Si/c1-33(2,3)42(4,5)41-28-23-31(37-22-21-30(38)36-32(37)39)40-29(28)24-35-34(25-15-9-6-10-16-25,26-17-11-7-12-18-26)27-19-13-8-14-20-27/h6-22,28-29,31,35H,23-24H2,1-5H3,(H,36,38,39)
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 3.13E+5n/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)
Putative deoxyuridine triphosphatase


(Leishmania major)		BDBM50173534
PNG
(({[5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-...)
Show SMILES NS(=O)(=O)NC(=O)OC[C@H]1O[C@H](C[C@@H]1O)n1ccc(=O)[nH]c1=O |r|
Show InChI InChI=1S/C10H14N4O8S/c11-23(19,20)13-10(18)21-4-6-5(15)3-8(22-6)14-2-1-7(16)12-9(14)17/h1-2,5-6,8,15H,3-4H2,(H4,11,12,13,16,17,18,19,20)/p-1
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 3.14E+5n/an/an/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibitory constant against Leishmania major deoxyuridine 5'-triphosphate nucleotidohydrolase

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)		BDBM50173534
PNG
(({[5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-...)
Show SMILES NS(=O)(=O)NC(=O)OC[C@H]1O[C@H](C[C@@H]1O)n1ccc(=O)[nH]c1=O |r|
Show InChI InChI=1S/C10H14N4O8S/c11-23(19,20)13-10(18)21-4-6-5(15)3-8(22-6)14-2-1-7(16)12-9(14)17/h1-2,5-6,8,15H,3-4H2,(H4,11,12,13,16,17,18,19,20)/p-1
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 3.14E+5n/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


(Plasmodium falciparum)		BDBM50173549
PNG
(CHEMBL3143776 | Phosphoric acid 5-(2,4-dioxo-3,4-d...)
Show SMILES CCOP(=O)(OCC)OC[C@H]1O[C@H](C[C@@H]1O)n1ccc(=O)[nH]c1=O |r|
Show InChI InChI=1S/C13H21N2O8P/c1-3-20-24(19,21-4-2)22-8-10-9(16)7-12(23-10)15-6-5-11(17)14-13(15)18/h5-6,9-10,12,16H,3-4,7-8H2,1-2H3,(H,14,17,18)
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 3.16E+5n/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
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