BDBM50118623 (R)-1-((R)-3-Fluoro-4-hydroxy-5-methylphosphate-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione::Phosphoric acid mono-[4-fluoro-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-tetrahydro-furan-2-ylmethyl] ester::[(2R,3R,4R,5R)-4-fluoro-3-hydroxy-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-2-yl]methyl phosphate
SMILES: Cc1cn([C@@H]2O[C@H](COP([O-])([O-])=O)[C@@H](O)[C@H]2F)c(=O)[nH]c1=O
InChI Key: InChIKey=XJQFIHYTCPKUTK-JXOAFFINSA-L
Data: 3 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Thymidylate kinase (Mycobacterium tuberculosis) | BDBM50118623 ((R)-1-((R)-3-Fluoro-4-hydroxy-5-methylphosphate-te...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PubMed | 4.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ghent University Curated by ChEMBL | Assay Description Compound was tested for binding affinity against Mycobacterium tuberculosis thymidine monophosphate kinase | Bioorg Med Chem Lett 12: 2695-8 (2002) BindingDB Entry DOI: 10.7270/Q24J0FN8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Thymidylate kinase (Mycobacterium tuberculosis) | BDBM50118623 ((R)-1-((R)-3-Fluoro-4-hydroxy-5-methylphosphate-te...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 4.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ghent University Curated by ChEMBL | Assay Description Inhibition of Mycobacterium tuberculosis TMPK by coupled spectrophotometric assay | J Med Chem 47: 6187-94 (2004) Article DOI: 10.1021/jm040847w BindingDB Entry DOI: 10.7270/Q24M95B1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Thymidylate kinase (Mycobacterium tuberculosis) | BDBM50118623 ((R)-1-((R)-3-Fluoro-4-hydroxy-5-methylphosphate-te...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PubMed | 4.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ghent University Curated by ChEMBL | Assay Description Inhibitory activity against thymidine monophosphate kinase (TMPK) in Mycobacterium tuberculosis | Bioorg Med Chem Lett 13: 3045-8 (2003) BindingDB Entry DOI: 10.7270/Q237798X | |||||||||||
More data for this Ligand-Target Pair |