BDBM50042832 3-Hydroxy-2-[(9-mercaptomethyl-10-oxo-azecane-2-carbonyl)-amino]-propionic acid::CHEMBL125040

SMILES: OC[C@@H](NC(=O)C1CCCCCCC(CS)C(=O)N1)C(O)=O

InChI Key: InChIKey=YDKPVHQBAWCVRT-VQXHTEKXSA-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 = 50042832   

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))	BDBM50042832 (3-Hydroxy-2-[(9-mercaptomethyl-10-oxo-azecane-2-ca...) Show SMILES OC[C@@H](NC(=O)C1CCCCCCC(CS)C(=O)N1)C(O)=O Show InChI InChI=1S/C14H24N2O5S/c17-7-11(14(20)21)16-13(19)10-6-4-2-1-3-5-9(8-22)12(18)15-10/h9-11,17,22H,1-8H2,(H,15,18)(H,16,19)(H,20,21)/t9?,10?,11-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Inhibition of NEP 24.11 from rat kidney				J Med Chem 36: 3821-8 (1994) BindingDB Entry DOI: 10.7270/Q2ZS2X5D
					More data for this Ligand-Target Pair