BDBM50124850 2-[3-(5-Bromo-2-ethoxy-3-methyl-benzylamino)-propylamino]-1H-quinolin-4-one::CHEMBL422699
SMILES: CCOc1c(C)cc(Br)cc1CNCCCNc1cc(O)c2ccccc2n1
InChI Key: InChIKey=OVUDXTNLEILHLP-UHFFFAOYSA-N
Data: 1 IC50
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Methionyl-tRNA synthetase (Escherichia coli (strain K12)) | BDBM50124850 (2-[3-(5-Bromo-2-ethoxy-3-methyl-benzylamino)-propy...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 5.70 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Curated by ChEMBL | Assay Description Compound tested for inhibition of Staphylococcus aureus MRS (methionyl tRNA synthetase) in aminoacylation assay | Bioorg Med Chem Lett 13: 665-8 (2003) BindingDB Entry DOI: 10.7270/Q2KP81JD | |||||||||||
More data for this Ligand-Target Pair |