BDBM50041065 2-(2-Mercaptomethyl-3-phenyl-butyrylamino)-3-methyl-butyric acid::CHEMBL275980

SMILES: CC(C)C(NC(=O)C(CS)C(C)c1ccccc1)C(O)=O

InChI Key: InChIKey=JAAZJNRRIZXSHL-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 = 50041065   

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 (Mus musculus)	BDBM50041065 (2-(2-Mercaptomethyl-3-phenyl-butyrylamino)-3-methy...) Show SMILES CC(C)C(NC(=O)C(CS)C(C)c1ccccc1)C(O)=O Show InChI InChI=1S/C16H23NO3S/c1-10(2)14(16(19)20)17-15(18)13(9-21)11(3)12-7-5-4-6-8-12/h4-8,10-11,13-14,21H,9H2,1-3H3,(H,17,18)(H,19,20)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Inhibitory potency against angiotensin converting enzyme by displacement of [3H]-trandolaprilate binding in mouse lung				J Med Chem 37: 1070-83 (1994) BindingDB Entry DOI: 10.7270/Q26W995T
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM50041065 (2-(2-Mercaptomethyl-3-phenyl-butyrylamino)-3-methy...) Show SMILES CC(C)C(NC(=O)C(CS)C(C)c1ccccc1)C(O)=O Show InChI InChI=1S/C16H23NO3S/c1-10(2)14(16(19)20)17-15(18)13(9-21)11(3)12-7-5-4-6-8-12/h4-8,10-11,13-14,21H,9H2,1-3H3,(H,17,18)(H,19,20)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description In vivo inhibitory potency against neutral endopeptidase by displacement of [3H]-HACBOGly binding in mouse kidney				J Med Chem 37: 1070-83 (1994) BindingDB Entry DOI: 10.7270/Q26W995T
					More data for this Ligand-Target Pair