BDBM50041066 3-Benzyloxy-2-(2-mercaptomethyl-3-phenyl-butyrylamino)-propionic acid::CHEMBL11236

SMILES: CC(C(CS)C(=O)NC(COCc1ccccc1)C(O)=O)c1ccccc1

InChI Key: InChIKey=ZNACXDXLLZVMDM-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 = 50041066   

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)	BDBM50041066 (3-Benzyloxy-2-(2-mercaptomethyl-3-phenyl-butyrylam...) Show SMILES CC(C(CS)C(=O)NC(COCc1ccccc1)C(O)=O)c1ccccc1 Show InChI InChI=1S/C21H25NO4S/c1-15(17-10-6-3-7-11-17)18(14-27)20(23)22-19(21(24)25)13-26-12-16-8-4-2-5-9-16/h2-11,15,18-19,27H,12-14H2,1H3,(H,22,23)(H,24,25)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	43	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))	BDBM50041066 (3-Benzyloxy-2-(2-mercaptomethyl-3-phenyl-butyrylam...) Show SMILES CC(C(CS)C(=O)NC(COCc1ccccc1)C(O)=O)c1ccccc1 Show InChI InChI=1S/C21H25NO4S/c1-15(17-10-6-3-7-11-17)18(14-27)20(23)22-19(21(24)25)13-26-12-16-8-4-2-5-9-16/h2-11,15,18-19,27H,12-14H2,1H3,(H,22,23)(H,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	4	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