BDBM50124801 2-[3-(4,6-Dichloro-indan-1-ylamino)-propylamino]-1H-quinolin-4-one::CHEMBL159217::TCMDC-139485

SMILES: Oc1cc(NCCCNC2CCc3c2cc(Cl)cc3Cl)nc2ccccc12

InChI Key: InChIKey=TYDKIWXWMQGFBW-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 = 50124801   

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))	BDBM50124801 (2-[3-(4,6-Dichloro-indan-1-ylamino)-propylamino]-1...) Show SMILES Oc1cc(NCCCNC2CCc3c2cc(Cl)cc3Cl)nc2ccccc12 Show InChI InChI=1S/C21H21Cl2N3O/c22-13-10-16-14(17(23)11-13)6-7-18(16)24-8-3-9-25-21-12-20(27)15-4-1-2-5-19(15)26-21/h1-2,4-5,10-12,18,24H,3,6-9H2,(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