BDBM50124844 2-[3-(2-Ethoxy-3-iodo-5-methyl-benzylamino)-propylamino]-1H-quinolin-4-one::CHEMBL161255

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

InChI Key: InChIKey=PFNJZXRHUMAXKS-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 = 50124844   

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))	BDBM50124844 (2-[3-(2-Ethoxy-3-iodo-5-methyl-benzylamino)-propyl...) Show SMILES CCOc1c(I)cc(C)cc1CNCCCNc1cc(O)c2ccccc2n1 Show InChI InChI=1S/C22H26IN3O2/c1-3-28-22-16(11-15(2)12-18(22)23)14-24-9-6-10-25-21-13-20(27)17-7-4-5-8-19(17)26-21/h4-5,7-8,11-13,24H,3,6,9-10,14H2,1-2H3,(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	7.20	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