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11 molecules are shown

Wt: 470.5
BDBM50173539
Purchase
Wt: 227.2
BDBM50173559
Wt: 471.5
BDBM50173563
Wt: 269.2
BDBM50173564
Wt: 389.4
BDBM50173569
Wt: 331.3
BDBM50173572
Wt: 583.7
BDBM50173536
Wt: 469.5
BDBM50173577
Wt: 311.3
BDBM50173538
Wt: 305.3
BDBM50173547
Wt: 469.5
BDBM50190543

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 41 hits for monomerid = 50173539,50173559,50173563,50173564,50173569,50173572,50173536,50173577,50173538,50173547,50190543   
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
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)
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)
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)
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



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)
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 (dUTPase)


(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
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 (dUTPase)


(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
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



Taiho Pharmaceutical Co. Ltd.

Curated by ChEMBL


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


J Med Chem 55: 2970-80 (2012)


Article DOI: 10.1021/jm201628y
BindingDB Entry DOI: 10.7270/Q2C82BB5
More data for this
Ligand-Target Pair
Deoxyuridine 5'-triphosphate nucleotidohydrolase (dUTPase)


(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
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
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))
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+4n/an/an/an/an/an/an/an/a



University of Wales Cardiff

Curated by ChEMBL


Assay Description
Inhibition of human dUTPase


Eur J Med Chem 44: 678-88 (2009)


Article DOI: 10.1016/j.ejmech.2008.05.018
BindingDB Entry DOI: 10.7270/Q20K28CG
More data for this
Ligand-Target Pair
Deoxyuridine 5'-triphosphate nucleotidohydrolase (dUTPase)


(Homo sapiens (Human))
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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4.60E+4n/an/an/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of recombinant human dUTPase expressed in Escherichia coli BL21 (DE3) using dUTP as substrate by spectrophotometric analysis


Bioorg Med Chem 21: 5876-85 (2013)


Article DOI: 10.1016/j.bmc.2013.07.004
BindingDB Entry DOI: 10.7270/Q2NV9KPJ
More data for this
Ligand-Target Pair
Deoxyuridine 5'-triphosphate nucleotidohydrolase (dUTPase)


(Homo sapiens (Human))
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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4.60E+4n/an/an/an/an/an/an/an/a



University of Wales Cardiff

Curated by ChEMBL


Assay Description
Inhibition of human dUTPase


Eur J Med Chem 44: 678-88 (2009)


Article DOI: 10.1016/j.ejmech.2008.05.018
BindingDB Entry DOI: 10.7270/Q20K28CG
More data for this
Ligand-Target Pair
Deoxyuridine 5'-triphosphate nucleotidohydrolase (dUTPase)


(Homo sapiens (Human))
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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4.60E+4n/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
Deoxyuridine 5'-triphosphate nucleotidohydrolase (dUTPase)


(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 (dUTPase)


(Homo sapiens (Human))
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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4.60E+4n/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
dUTP pyrophosphatase


(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)
dUTP pyrophosphatase


(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)
dUTP pyrophosphatase


(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)
dUTP pyrophosphatase


(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
dUTP pyrophosphatase


(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)
dUTP pyrophosphatase


(Plasmodium falciparum)
BDBM50173569
PNG
(CHEMBL194473 | Octahydro-2,4-methano-indene-2-carb...)
Show SMILES OC1CC(OC1CNC(=O)C12CC3CCCC(C1)C3C2)n1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C20H27N3O5/c24-14-6-17(23-5-4-16(25)22-19(23)27)28-15(14)10-21-18(26)20-7-11-2-1-3-12(8-20)13(11)9-20/h4-5,11-15,17,24H,1-3,6-10H2,(H,21,26)(H,22,25,27)
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4.26E+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 (dUTPase)


(Homo sapiens (Human))
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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4.69E+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
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)
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>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)
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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>1.00E+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)
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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>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)
BDBM50173569
PNG
(CHEMBL194473 | Octahydro-2,4-methano-indene-2-carb...)
Show SMILES OC1CC(OC1CNC(=O)C12CC3CCCC(C1)C3C2)n1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C20H27N3O5/c24-14-6-17(23-5-4-16(25)22-19(23)27)28-15(14)10-21-18(26)20-7-11-2-1-3-12(8-20)13(11)9-20/h4-5,11-15,17,24H,1-3,6-10H2,(H,21,26)(H,22,25,27)
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>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)
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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>1.00E+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)
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)
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>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


(Leishmania major)
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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>1.00E+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)
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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>1.00E+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)
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>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


(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)
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>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)
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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>1.00E+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))
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)
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>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))
BDBM50173569
PNG
(CHEMBL194473 | Octahydro-2,4-methano-indene-2-carb...)
Show SMILES OC1CC(OC1CNC(=O)C12CC3CCCC(C1)C3C2)n1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C20H27N3O5/c24-14-6-17(23-5-4-16(25)22-19(23)27)28-15(14)10-21-18(26)20-7-11-2-1-3-12(8-20)13(11)9-20/h4-5,11-15,17,24H,1-3,6-10H2,(H,21,26)(H,22,25,27)
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>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)
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>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))
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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>1.00E+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))
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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>1.00E+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))
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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>1.00E+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))
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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>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