BDBM50041062 3-(4-Hydroxy-phenyl)-2-[2-mercaptomethyl-3-(4-methoxy-phenyl)-butyrylamino]-propionic acid::CHEMBL273853

SMILES: COc1ccc(cc1)C(C)C(CS)C(=O)NC(Cc1ccc(O)cc1)C(O)=O

InChI Key: InChIKey=YYFKNFYWBTWCBB-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 = 50041062   

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)	BDBM50041062 (3-(4-Hydroxy-phenyl)-2-[2-mercaptomethyl-3-(4-meth...) Show SMILES COc1ccc(cc1)C(C)C(CS)C(=O)NC(Cc1ccc(O)cc1)C(O)=O Show InChI InChI=1S/C21H25NO5S/c1-13(15-5-9-17(27-2)10-6-15)18(12-28)20(24)22-19(21(25)26)11-14-3-7-16(23)8-4-14/h3-10,13,18-19,23,28H,11-12H2,1-2H3,(H,22,24)(H,25,26)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.60	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 (Mus musculus)	BDBM50041062 (3-(4-Hydroxy-phenyl)-2-[2-mercaptomethyl-3-(4-meth...) Show SMILES COc1ccc(cc1)C(C)C(CS)C(=O)NC(Cc1ccc(O)cc1)C(O)=O Show InChI InChI=1S/C21H25NO5S/c1-13(15-5-9-17(27-2)10-6-15)18(12-28)20(24)22-19(21(25)26)11-14-3-7-16(23)8-4-14/h3-10,13,18-19,23,28H,11-12H2,1-2H3,(H,22,24)(H,25,26)	PDB MMDB Reactome pathway 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
INSERM Curated by ChEMBL					Assay Description In vivo inhibitory potency against Neutral Endopeptidase by measuring the 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