BDBM50039530 (S)-3-Ethylsulfanyl-2-((S)-2-mercaptomethyl-3-phenyl-propionylamino)-propionic acid::CHEMBL84546

SMILES: CCSC[C@@H](NC(=O)[C@@H](CS)Cc1ccccc1)C(O)=O

InChI Key: InChIKey=DDZXMZMIRUSLFJ-CHWSQXEVSA-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 = 50039530   

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)	BDBM50039530 ((S)-3-Ethylsulfanyl-2-((S)-2-mercaptomethyl-3-phen...) Show SMILES CCSC[C@@H](NC(=O)[C@@H](CS)Cc1ccccc1)C(O)=O Show InChI InChI=1S/C15H21NO3S2/c1-2-21-10-13(15(18)19)16-14(17)12(9-20)8-11-6-4-3-5-7-11/h3-7,12-13,20H,2,8-10H2,1H3,(H,16,17)(H,18,19)/t12-,13-/m1/s1	MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	28	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))	BDBM50039530 ((S)-3-Ethylsulfanyl-2-((S)-2-mercaptomethyl-3-phen...) Show SMILES CCSC[C@@H](NC(=O)[C@@H](CS)Cc1ccccc1)C(O)=O Show InChI InChI=1S/C15H21NO3S2/c1-2-21-10-13(15(18)19)16-14(17)12(9-20)8-11-6-4-3-5-7-11/h3-7,12-13,20H,2,8-10H2,1H3,(H,16,17)(H,18,19)/t12-,13-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.40	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