BDBM50173554 CHEMBL194480::Hexadecanoic acid 5-(2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-2,5-dihydro-furan-2-ylmethyl ester::dUTPase inhibitor, 4

SMILES CCCCCCCCCCCCCCCC(=O)OCC1OC(C=C1)n1ccc(=O)[nH]c1=O

InChI Key InChIKey=GPPOEZFRRPLORQ-UHFFFAOYSA-N

Data  6 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50173554   

TargetDeoxyuridine 5'-triphosphate nucleotidohydrolase(Plasmodium falciparum)
Instituto De Parastiologia Y Biomedicina "Lopez-Neyra

LigandPNGBDBM50173554(CHEMBL194480 | Hexadecanoic acid 5-(2,4-dioxo-3,4-...)
Affinity DataKi:  2.56E+5nM ΔG°:  -4.90kcal/molepH: 8.0 T: 2°CAssay Description:Nucleotide hydrolysis was monitored by mixing enzyme and substrate with a rapid kinetic accessory (Hi-Tech Scientific) attached to a spectrophotomete...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDeoxyuridine 5'-triphosphate nucleotidohydrolase(Plasmodium falciparum)
Instituto De Parastiologia Y Biomedicina "Lopez-Neyra

LigandPNGBDBM50173554(CHEMBL194480 | Hexadecanoic acid 5-(2,4-dioxo-3,4-...)
Affinity DataKi:  2.56E+5nMAssay Description:Inhibitory constant against Plasmodium falciparum deoxyuridine 5'-triphosphate nucleotidohydrolase expressed in Escherichia coli BL21 (DE3) cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDeoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial(Homo sapiens (Human))
Cardiff University

Curated by ChEMBL
LigandPNGBDBM50173554(CHEMBL194480 | Hexadecanoic acid 5-(2,4-dioxo-3,4-...)
Affinity DataKi:  3.50E+5nMAssay Description:Inhibitory constant against human deoxyuridine 5'-triphosphate nucleotidohydrolase expressed in Escherichia coli BL21 (DE3) cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDeoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial(Homo sapiens (Human))
Cardiff University

Curated by ChEMBL
LigandPNGBDBM50173554(CHEMBL194480 | Hexadecanoic acid 5-(2,4-dioxo-3,4-...)
Affinity DataKi:  3.50E+5nM ΔG°:  -4.71kcal/molepH: 8.0 T: 2°CAssay Description:Nucleotide hydrolysis was monitored by mixing enzyme and substrate with a rapid kinetic accessory (Hi-Tech Scientific) attached to a spectrophotomete...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPutative deoxyuridine triphosphatase(Leishmania major)
Cardiff University

Curated by ChEMBL
LigandPNGBDBM50173554(CHEMBL194480 | Hexadecanoic acid 5-(2,4-dioxo-3,4-...)
Affinity DataKi: >1.00E+6nMAssay Description:Inhibitory constant against Leishmania major deoxyuridine 5'-triphosphate nucleotidohydrolaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetdCTP deaminase(Campylobacter jejuni)
Instituto De Parastiologia Y Biomedicina "Lopez-Neyra

LigandPNGBDBM50173554(CHEMBL194480 | Hexadecanoic acid 5-(2,4-dioxo-3,4-...)
Affinity DataKi:  1.00E+9nM ΔG°:  0kcal/molepH: 8.0 T: 2°CAssay Description:Nucleotide hydrolysis was monitored by mixing enzyme and substrate with a rapid kinetic accessory (Hi-Tech Scientific) attached to a spectrophotomete...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed