BDBM50118628 (R)-1-((R)-4-Azido-5-methylphosphate-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione::Phosphoric acid mono-[3-azido-5-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-tetrahydro-furan-2-ylmethyl] ester
SMILES: Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](COP([O-])([O-])=O)O2)c(=O)[nH]c1=O
InChI Key: InChIKey=OIFWQOKDSPDILA-XLPZGREQSA-L
Data: 4 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) | BDBM50118628 ((R)-1-((R)-4-Azido-5-methylphosphate-tetrahydro-fu...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PubMed | 1.00E+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 | 3D Structure (docked) | ||||||||||||
Thymidylate kinase (Mycobacterium tuberculosis) | BDBM50118628 ((R)-1-((R)-4-Azido-5-methylphosphate-tetrahydro-fu...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ghent University Curated by ChEMBL | Assay Description In Vitro inhibition of Thymidine Monophosphatase Kinase of Mycobacterium tuberculosis (TMPKm) | J Med Chem 46: 3811-21 (2003) Article DOI: 10.1021/jm021108n BindingDB Entry DOI: 10.7270/Q2MS3TGG | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (docked) | ||||||||||||
Thymidylate kinase (Mycobacterium tuberculosis) | BDBM50118628 ((R)-1-((R)-4-Azido-5-methylphosphate-tetrahydro-fu...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PubMed | 1.00E+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 | 3D Structure (docked) | ||||||||||||
Thymidylate kinase (Mycobacterium tuberculosis) | BDBM50118628 ((R)-1-((R)-4-Azido-5-methylphosphate-tetrahydro-fu...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ghent University Curated by ChEMBL | Assay Description Competitive inhibition of Mycobacterium tuberculosis TMPK expressed in Escherichia coli NM554 by coupled spectrophotometric assay | Bioorg Med Chem 19: 7603-11 (2011) Article DOI: 10.1016/j.bmc.2011.10.021 BindingDB Entry DOI: 10.7270/Q2JH3MMD | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (docked) |