BDBM50173539 1-(4-Hydroxy-5-trityloxymethyl-tetrahydro-furan-2-yl)-1H-pyrimidine-2,4-dione::BDBM50190548::CHEMBL438428
SMILES: O[C@H]1C[C@@H](O[C@@H]1COC(c1ccccc1)(c1ccccc1)c1ccccc1)n1ccc(=O)[nH]c1=O
InChI Key: InChIKey=JJJNFNLUKYZAKI-UHFFFAOYSA-N
Data: 8 KI
Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
dUTP pyrophosphatase (Plasmodium falciparum) | BDBM50173539 (1-(4-Hydroxy-5-trityloxymethyl-tetrahydro-furan-2-...) | PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 Structure (docked) | ||||||||||||
dUTP pyrophosphatase (Plasmodium falciparum) | BDBM50173539 (1-(4-Hydroxy-5-trityloxymethyl-tetrahydro-furan-2-...) | PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 Structure (docked) | ||||||||||||
dUTP pyrophosphatase (Plasmodium falciparum) | BDBM50173539 (1-(4-Hydroxy-5-trityloxymethyl-tetrahydro-furan-2-...) | PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 Structure (docked) | ||||||||||||
Deoxyuridine 5'-triphosphate nucleotidohydrolase (dUTPase) (Homo sapiens (Human)) | BDBM50173539 (1-(4-Hydroxy-5-trityloxymethyl-tetrahydro-furan-2-...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 1.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 (1-(4-Hydroxy-5-trityloxymethyl-tetrahydro-furan-2-...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 1.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50173539 (1-(4-Hydroxy-5-trityloxymethyl-tetrahydro-furan-2-...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 1.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 (1-(4-Hydroxy-5-trityloxymethyl-tetrahydro-furan-2-...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | >1.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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) | BDBM50173539 (1-(4-Hydroxy-5-trityloxymethyl-tetrahydro-furan-2-...) | PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 |