BindingDB logo
myBDB logout

11 molecules are shown

Wt: 227.2
BDBM50173559
Wt: 269.2
BDBM50173564
Wt: 317.3
BDBM50173576
Wt: 460.3
BDBM50173548
Wt: 406.3
BDBM50173553
Wt: 364.2
BDBM50173549
Wt: 270.2
BDBM50173541
Wt: 332.3
BDBM50173556
Wt: 312.3
BDBM50173558
Wt: 556.2
BDBM50386618
Wt: 467.1
BDBM50386619

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 33 hits for monomerid = 50173559,50173564,50173576,50173548,50173553,50173549,50173541,50173556,50173558,50386618,50386619   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
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
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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)
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
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.11E+5 -5.39n/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
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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
dUTP pyrophosphatase


(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
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)
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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 (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
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.35E+5 -5.28n/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)
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
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)
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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
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
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.38E+5 -4.94n/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)
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
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)
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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
dUTP pyrophosphatase


(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
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)
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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
dUTP pyrophosphatase


(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
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)
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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
dUTP pyrophosphatase


(Leishmania major)
BDBM50173559
PNG
(1-(5-Aminomethyl-4-hydroxy-tetrahydro-furan-2-yl)-...)
Show SMILES NCC1OC(CC1O)n1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C9H13N3O4/c10-4-6-5(13)3-8(16-6)12-2-1-7(14)11-9(12)15/h1-2,5-6,8,13H,3-4,10H2,(H,11,14,15)
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
>1.00E+6n/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
dUTP pyrophosphatase


(Plasmodium falciparum)
BDBM50173559
PNG
(1-(5-Aminomethyl-4-hydroxy-tetrahydro-furan-2-yl)-...)
Show SMILES NCC1OC(CC1O)n1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C9H13N3O4/c10-4-6-5(13)3-8(16-6)12-2-1-7(14)11-9(12)15/h1-2,5-6,8,13H,3-4,10H2,(H,11,14,15)
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
>1.00E+6n/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)
BDBM50173564
PNG
(CHEMBL194902 | N-[5-(2,4-Dioxo-3,4-dihydro-2H-pyri...)
Show SMILES CC(=O)NCC1OC(CC1O)n1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C11H15N3O5/c1-6(15)12-5-8-7(16)4-10(19-8)14-3-2-9(17)13-11(14)18/h2-3,7-8,10,16H,4-5H2,1H3,(H,12,15)(H,13,17,18)
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+6n/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 (dUTPase)


(Homo sapiens (Human))
BDBM50173559
PNG
(1-(5-Aminomethyl-4-hydroxy-tetrahydro-furan-2-yl)-...)
Show SMILES NCC1OC(CC1O)n1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C9H13N3O4/c10-4-6-5(13)3-8(16-6)12-2-1-7(14)11-9(12)15/h1-2,5-6,8,13H,3-4,10H2,(H,11,14,15)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
>1.00E+6n/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 (dUTPase)


(Homo sapiens (Human))
BDBM50173564
PNG
(CHEMBL194902 | N-[5-(2,4-Dioxo-3,4-dihydro-2H-pyri...)
Show SMILES CC(=O)NCC1OC(CC1O)n1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C11H15N3O5/c1-6(15)12-5-8-7(16)4-10(19-8)14-3-2-9(17)13-11(14)18/h2-3,7-8,10,16H,4-5H2,1H3,(H,12,15)(H,13,17,18)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+6n/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 (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)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+6n/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 (dUTPase)


(Homo sapiens (Human))
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
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)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+6n/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 (dUTPase)


(Homo sapiens (Human))
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
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)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+6n/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 (dUTPase)


(Homo sapiens (Human))
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
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)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+6n/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 (dUTPase)


(Homo sapiens (Human))
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
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)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+6n/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 (dUTPase)


(Homo sapiens (Human))
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
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)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+6n/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 (dUTPase)


(Campylobacter jejuni)
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)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.00E+6 -4.09n/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


(Leishmania major)
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
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)
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+6n/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 (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)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.00E+6 -4.09n/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


(Leishmania major)
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
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)
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+6n/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
dUTP pyrophosphatase


(Leishmania major)
BDBM50173564
PNG
(CHEMBL194902 | N-[5-(2,4-Dioxo-3,4-dihydro-2H-pyri...)
Show SMILES CC(=O)NCC1OC(CC1O)n1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C11H15N3O5/c1-6(15)12-5-8-7(16)4-10(19-8)14-3-2-9(17)13-11(14)18/h2-3,7-8,10,16H,4-5H2,1H3,(H,12,15)(H,13,17,18)
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+6n/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
dUTP pyrophosphatase


(Leishmania major)
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
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)
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+6n/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
dUTP pyrophosphatase


(Leishmania major)
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
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)
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+6n/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
dUTP pyrophosphatase


(Leishmania major)
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
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)
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+6n/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
dUTP pyrophosphatase


(Leishmania major)
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
MMDB

KEGG

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+6n/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 (dUTPase)


(Campylobacter jejuni)
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)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.00E+9 0n/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))
BDBM50386619
PNG
(CHEMBL1232397)
Show SMILES O[C@H]1C[C@@H](O[C@@H]1CO[P@@](O)(=O)N[P@](O)(=O)OP(O)(O)=O)n1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C9H16N3O13P3/c13-5-3-8(12-2-1-7(14)10-9(12)15)24-6(5)4-23-26(16,17)11-27(18,19)25-28(20,21)22/h1-2,5-6,8,13H,3-4H2,(H,10,14,15)(H2,20,21,22)(H3,11,16,17,18,19)/t5-,6+,8+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.50E+4n/an/an/an/an/an/a



Taiho Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human dUTPase using [5-3H]dUTP as substrate after 15 mins by HPLC analysis


J Med Chem 55: 2960-9 (2012)


Article DOI: 10.1021/jm201627n
BindingDB Entry DOI: 10.7270/Q2WQ04VS
More data for this
Ligand-Target Pair
Deoxyuridine 5'-triphosphate nucleotidohydrolase (dUTPase)


(Homo sapiens (Human))
BDBM50386619
PNG
(CHEMBL1232397)
Show SMILES O[C@H]1C[C@@H](O[C@@H]1CO[P@@](O)(=O)N[P@](O)(=O)OP(O)(O)=O)n1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C9H16N3O13P3/c13-5-3-8(12-2-1-7(14)10-9(12)15)24-6(5)4-23-26(16,17)11-27(18,19)25-28(20,21)22/h1-2,5-6,8,13H,3-4H2,(H,10,14,15)(H2,20,21,22)(H3,11,16,17,18,19)/t5-,6+,8+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.52E+4n/an/an/an/an/an/a



Taiho Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human dUTPase assessed as production of [5-3H]dUMP from [5-3H]dUTP after 15 mins measured by HPLC analysis


J Med Chem 55: 2970-80 (2012)


Article DOI: 10.1021/jm201628y
BindingDB Entry DOI: 10.7270/Q2C82BB5
More data for this
Ligand-Target Pair