BDBM50041060 2-[3-(3,4-Dimethoxy-phenyl)-2-mercaptomethyl-butyrylamino]-3-(4-hydroxy-phenyl)-propionic acid::CHEMBL11806

SMILES: COc1ccc(cc1OC)C(C)C(CS)C(=O)NC(Cc1ccc(O)cc1)C(O)=O

InChI Key: InChIKey=QWQQFQAYTHDNGP-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 = 50041060   

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
Neprilysin (Homo sapiens (Human))	BDBM50041060 (2-[3-(3,4-Dimethoxy-phenyl)-2-mercaptomethyl-butyr...) Show SMILES COc1ccc(cc1OC)C(C)C(CS)C(=O)NC(Cc1ccc(O)cc1)C(O)=O Show InChI InChI=1S/C22H27NO6S/c1-13(15-6-9-19(28-2)20(11-15)29-3)17(12-30)21(25)23-18(22(26)27)10-14-4-7-16(24)8-5-14/h4-9,11,13,17-18,24,30H,10,12H2,1-3H3,(H,23,25)(H,26,27)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	16	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
Angiotensin-converting enzyme (Mus musculus)	BDBM50041060 (2-[3-(3,4-Dimethoxy-phenyl)-2-mercaptomethyl-butyr...) Show SMILES COc1ccc(cc1OC)C(C)C(CS)C(=O)NC(Cc1ccc(O)cc1)C(O)=O Show InChI InChI=1S/C22H27NO6S/c1-13(15-6-9-19(28-2)20(11-15)29-3)17(12-30)21(25)23-18(22(26)27)10-14-4-7-16(24)8-5-14/h4-9,11,13,17-18,24,30H,10,12H2,1-3H3,(H,23,25)(H,26,27)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4	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