BDBM50124857 2-[3-(2-Ethoxy-3-methyl-5-methylsulfanyl-benzylamino)-propylamino]-1H-quinolin-4-one::CHEMBL161152

SMILES: CCOc1c(C)cc(SC)cc1CNCCCNc1cc(O)c2ccccc2n1

InChI Key: InChIKey=ZOIGAVPWPQQJCV-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50124857   

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))	BDBM50124857 (2-[3-(2-Ethoxy-3-methyl-5-methylsulfanyl-benzylami...) Show SMILES CCOc1c(C)cc(SC)cc1CNCCCNc1cc(O)c2ccccc2n1 Show InChI InChI=1S/C23H29N3O2S/c1-4-28-23-16(2)12-18(29-3)13-17(23)15-24-10-7-11-25-22-14-21(27)19-8-5-6-9-20(19)26-22/h5-6,8-9,12-14,24H,4,7,10-11,15H2,1-3H3,(H2,25,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.10	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