BDBM50132286 (R)-5-Hydroxymethyl-1-((4S,5R)-4-hydroxy-5-methylphosphate-tetrahydro-furan-2-yl)-1H-pyrimidine-2,4-dione
SMILES: OCc1cn([C@H]2C[C@H](O)[C@@H](COP([O-])([O-])=O)O2)c(=O)[nH]c1=O
InChI Key: InChIKey=WEBVWKFGRVLCNS-XLPZGREQSA-L
Data: 2 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) | BDBM50132286 ((R)-5-Hydroxymethyl-1-((4S,5R)-4-hydroxy-5-methylp...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 1.10E+5 | 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 thymidine monophosphate kinase by HPLC analysis | Bioorg Med Chem 21: 257-68 (2012) Article DOI: 10.1016/j.bmc.2012.10.018 BindingDB Entry DOI: 10.7270/Q2GB25BQ | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (docked) | ||||||||||||
Thymidylate kinase (Mycobacterium tuberculosis) | BDBM50132286 ((R)-5-Hydroxymethyl-1-((4S,5R)-4-hydroxy-5-methylp...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PubMed | 1.10E+5 | 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 | 3D Structure (docked) |