BDBM50124852 2-[3-(5,7-Dichloro-2,3-dihydro-benzofuran-3-ylamino)-propylamino]-1H-quinolin-4-one::CHEMBL159068

SMILES: Oc1cc(NCCCNC2COc3c2cc(Cl)cc3Cl)nc2ccccc12

InChI Key: InChIKey=ODOFZARUGIGXFT-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 = 50124852   

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))	BDBM50124852 (2-[3-(5,7-Dichloro-2,3-dihydro-benzofuran-3-ylamin...) Show SMILES Oc1cc(NCCCNC2COc3c2cc(Cl)cc3Cl)nc2ccccc12 Show InChI InChI=1S/C20H19Cl2N3O2/c21-12-8-14-17(11-27-20(14)15(22)9-12)23-6-3-7-24-19-10-18(26)13-4-1-2-5-16(13)25-19/h1-2,4-5,8-10,17,23H,3,6-7,11H2,(H2,24,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6	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