BDBM50008621 CHEMBL422339::Sodium; 2-[2-mercaptomethyl-3-(4-nitro-phenyl)-propionylamino]-ethanesulfonate (H2O)

SMILES: [O-][N+](=O)c1ccc(CC(CS)C(=O)NCCS([O-])(=O)=O)cc1

InChI Key: InChIKey=MHCIVIDSBNLXIH-UHFFFAOYSA-M

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 = 50008621   

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
Neutral Endopeptidase (NEP) (Rattus norvegicus (Rat))	BDBM50008621 (CHEMBL422339 | Sodium; 2-[2-mercaptomethyl-3-(4-ni...) Show SMILES [O-][N+](=O)c1ccc(CC(CS)C(=O)NCCS([O-])(=O)=O)cc1 Show InChI InChI=1S/C12H16N2O6S2/c15-12(13-5-6-22(18,19)20)10(8-21)7-9-1-3-11(4-2-9)14(16)17/h1-4,10,21H,5-8H2,(H,13,15)(H,18,19,20)/p-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description The compound was tested in vitro for its inhibitory activity against Enkephalinase enzyme				J Med Chem 35: 602-8 (1992) BindingDB Entry DOI: 10.7270/Q2QZ28ZD
					More data for this Ligand-Target Pair