BDBM50124832 2-[3-(3,5-Dichloro-2-isopropoxy-benzylamino)-propylamino]-1H-quinolin-4-one::CHEMBL158106

SMILES: CC(C)Oc1c(Cl)cc(Cl)cc1CNCCCNc1cc(O)c2ccccc2n1

InChI Key: InChIKey=COXDQZQMNBNSOJ-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 = 50124832   

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))	BDBM50124832 (2-[3-(3,5-Dichloro-2-isopropoxy-benzylamino)-propy...) Show SMILES CC(C)Oc1c(Cl)cc(Cl)cc1CNCCCNc1cc(O)c2ccccc2n1 Show InChI InChI=1S/C22H25Cl2N3O2/c1-14(2)29-22-15(10-16(23)11-18(22)24)13-25-8-5-9-26-21-12-20(28)17-6-3-4-7-19(17)27-21/h3-4,6-7,10-12,14,25H,5,8-9,13H2,1-2H3,(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	29	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