BDBM50039537 (R)-2-(2-Mercaptomethyl-pentanoylamino)-4-methylsulfanyl-butyric acid::CHEMBL79582

SMILES: CCCC(CS)C(=O)N[C@H](CCSC)C(O)=O

InChI Key: InChIKey=KHSZWKNOIMXVPJ-YGPZHTELSA-N

Data: 2 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 2 hits for monomerid = 50039537   

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
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50039537 ((R)-2-(2-Mercaptomethyl-pentanoylamino)-4-methylsu...) Show SMILES CCCC(CS)C(=O)N[C@H](CCSC)C(O)=O Show InChI InChI=1S/C11H21NO3S2/c1-3-4-8(7-16)10(13)12-9(11(14)15)5-6-17-2/h8-9,16H,3-7H2,1-2H3,(H,12,13)(H,14,15)/t8?,9-/m1/s1	MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Tested in vitro for its inhibitory activity against angiotensin converting enzyme				J Med Chem 37: 2461-76 (1994) BindingDB Entry DOI: 10.7270/Q2571B20
					More data for this Ligand-Target Pair
Neprilysin (Oryctolagus cuniculus (rabbit))	BDBM50039537 ((R)-2-(2-Mercaptomethyl-pentanoylamino)-4-methylsu...) Show SMILES CCCC(CS)C(=O)N[C@H](CCSC)C(O)=O Show InChI InChI=1S/C11H21NO3S2/c1-3-4-8(7-16)10(13)12-9(11(14)15)5-6-17-2/h8-9,16H,3-7H2,1-2H3,(H,12,13)(H,14,15)/t8?,9-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against neutral endopeptidase (NEP)				J Med Chem 37: 2461-76 (1994) BindingDB Entry DOI: 10.7270/Q2571B20
					More data for this Ligand-Target Pair