BDBM50038628 2-(2-Benzyl-4-mercapto-4-phenyl-butyrylamino)-propionic acid::CHEMBL54942

SMILES: CC(NC(=O)C(CC(S)c1ccccc1)Cc1ccccc1)C(O)=O

InChI Key: InChIKey=PZZIXZZTBLTDAE-UHFFFAOYSA-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 = 50038628   

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 (Homo sapiens (Human))	BDBM50038628 (2-(2-Benzyl-4-mercapto-4-phenyl-butyrylamino)-prop...) Show SMILES CC(NC(=O)C(CC(S)c1ccccc1)Cc1ccccc1)C(O)=O Show InChI InChI=1S/C20H23NO3S/c1-14(20(23)24)21-19(22)17(12-15-8-4-2-5-9-15)13-18(25)16-10-6-3-7-11-16/h2-11,14,17-18,25H,12-13H2,1H3,(H,21,22)(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Tested for inhibitory potency against Angiotensin I Converting Enzyme				J Med Chem 37: 1865-73 (1994) BindingDB Entry DOI: 10.7270/Q2474BG6
					More data for this Ligand-Target Pair
Neprilysin (Oryctolagus cuniculus (rabbit))	BDBM50038628 (2-(2-Benzyl-4-mercapto-4-phenyl-butyrylamino)-prop...) Show SMILES CC(NC(=O)C(CC(S)c1ccccc1)Cc1ccccc1)C(O)=O Show InChI InChI=1S/C20H23NO3S/c1-14(20(23)24)21-19(22)17(12-15-8-4-2-5-9-15)13-18(25)16-10-6-3-7-11-16/h2-11,14,17-18,25H,12-13H2,1H3,(H,21,22)(H,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Tested for inhibitory potency against neutral endopeptidase (NEP)				J Med Chem 37: 1865-73 (1994) BindingDB Entry DOI: 10.7270/Q2474BG6
					More data for this Ligand-Target Pair