BDBM50393796 CHEMBL2159513

SMILES: COc1cc(Cl)cc(CNCCCNC(=O)Nc2ccccc2)c1

InChI Key: InChIKey=UCQXABGZXQUVHG-UHFFFAOYSA-N

Data: 1 IC50

PDB links: 2 PDB IDs match this monomer.

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 = 50393796   

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 (Homo sapiens (Human))	BDBM50393796 (CHEMBL2159513) Show SMILES COc1cc(Cl)cc(CNCCCNC(=O)Nc2ccccc2)c1 Show InChI InChI=1S/C18H22ClN3O2/c1-24-17-11-14(10-15(19)12-17)13-20-8-5-9-21-18(23)22-16-6-3-2-4-7-16/h2-4,6-7,10-12,20H,5,8-9,13H2,1H3,(H2,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	8.35E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of human mitochondrial MetRS aminoacylation activity assessed as reduction in [3H]methionine incorporation into Escherichia coli tRNA pre-...				J Med Chem 55: 6342-51 (2012) Article DOI: 10.1021/jm300303e BindingDB Entry DOI: 10.7270/Q2SJ1MQH
					More data for this Ligand-Target Pair