BDBM50190544 1-((2R,4S,5R)-4-fluoro-5-(trityloxymethyl)-tetrahydrofuran-2-yl)pyrimidine-2,4(1H,3H)-dione::2,3-DEOXY-3-FLUORO-5-O-TRITYLURIDINE::CHEMBL209720
SMILES: F[C@H]1C[C@@H](O[C@@H]1COC(c1ccccc1)(c1ccccc1)c1ccccc1)n1ccc(=O)[nH]c1=O
InChI Key: InChIKey=GJNIPWYJQUGERM-BFLUCZKCSA-N
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) | BDBM50190544 (1-((2R,4S,5R)-4-fluoro-5-(trityloxymethyl)-tetrahy...) | PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars | DrugBank MMDB PDB Article PubMed | 5.00E+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 (crystal) | ||||||||||||
Deoxyuridine 5'-triphosphate nucleotidohydrolase (dUTPase) (Homo sapiens (Human)) | BDBM50190544 (1-((2R,4S,5R)-4-fluoro-5-(trityloxymethyl)-tetrahy...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | 4.57E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50190544 (1-((2R,4S,5R)-4-fluoro-5-(trityloxymethyl)-tetrahy...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | 4.57E+5 | 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 |