BDBM50223792 1-(((2R,3S,5S)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-tetrahydrofuran-3-yl)methyl)-3-(((2S,3R,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-tetrahydrofuran-3-yl)methyl)urea::CHEMBL237839
SMILES: Cc1cn([C@H]2C[C@H](CNC(=O)NC[C@@H]3C[C@H](O[C@H]3CO)n3cc(C)c(=O)[nH]c3=O)[C@@H](CO)O2)c(=O)[nH]c1=O
InChI Key: InChIKey=ZPWVURMEGZTAOU-COYYTBTLSA-N
Data: 1 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) | BDBM50223792 (1-(((2R,3S,5S)-2-(hydroxymethyl)-5-(5-methyl-2,4-d...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 3.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Gent Curated by ChEMBL | Assay Description Inhibition of Mycobacterium tuberculosis TMPK expressed in Escherichia coli by spectrophotometric assay | J Med Chem 50: 5281-92 (2007) Article DOI: 10.1021/jm0706158 BindingDB Entry DOI: 10.7270/Q2QJ7H1Z | |||||||||||
More data for this Ligand-Target Pair |