BDBM50124858 2-[3-(2-Ethoxy-3-methyl-5-trifluoromethyl-benzylamino)-propylamino]-1H-quinolin-4-one::CHEMBL158958
SMILES: CCOc1c(C)cc(cc1CNCCCNc1cc(O)c2ccccc2n1)C(F)(F)F
InChI Key: InChIKey=DLALUXGXMNHNSW-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)) | BDBM50124858 (2-[3-(2-Ethoxy-3-methyl-5-trifluoromethyl-benzylam...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 6.80 | 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 |