BDBM50124851 4-Ethoxy-3-methyl-5-{[3-(4-oxo-1,4-dihydro-quinolin-2-ylamino)-propylamino]-methyl}-benzonitrile::CHEMBL159092

SMILES: CCOc1c(C)cc(cc1CNCCCNc1cc(O)c2ccccc2n1)C#N

InChI Key: InChIKey=GBINNPCCEWIMNL-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 = 50124851   

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))	BDBM50124851 (4-Ethoxy-3-methyl-5-{[3-(4-oxo-1,4-dihydro-quinoli...) Show SMILES CCOc1c(C)cc(cc1CNCCCNc1cc(O)c2ccccc2n1)C#N Show InChI InChI=1S/C23H26N4O2/c1-3-29-23-16(2)11-17(14-24)12-18(23)15-25-9-6-10-26-22-13-21(28)19-7-4-5-8-20(19)27-22/h4-5,7-8,11-13,25H,3,6,9-10,15H2,1-2H3,(H2,26,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.90	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