BDBM50041055 2-[3-(4-Amino-phenyl)-2-mercaptomethyl-butyrylamino]-3-(4-hydroxy-phenyl)-propionic acid::CHEMBL273672

SMILES: CC(C(CS)C(=O)NC(Cc1ccc(O)cc1)C(O)=O)c1ccc(N)cc1

InChI Key: InChIKey=VMXQREUHMZHIOB-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 = 50041055   

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))	BDBM50041055 (2-[3-(4-Amino-phenyl)-2-mercaptomethyl-butyrylamin...) Show SMILES CC(C(CS)C(=O)NC(Cc1ccc(O)cc1)C(O)=O)c1ccc(N)cc1 Show InChI InChI=1S/C20H24N2O4S/c1-12(14-4-6-15(21)7-5-14)17(11-27)19(24)22-18(20(25)26)10-13-2-8-16(23)9-3-13/h2-9,12,17-18,23,27H,10-11,21H2,1H3,(H,22,24)(H,25,26)	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)	BDBM50041055 (2-[3-(4-Amino-phenyl)-2-mercaptomethyl-butyrylamin...) Show SMILES CC(C(CS)C(=O)NC(Cc1ccc(O)cc1)C(O)=O)c1ccc(N)cc1 Show InChI InChI=1S/C20H24N2O4S/c1-12(14-4-6-15(21)7-5-14)17(11-27)19(24)22-18(20(25)26)10-13-2-8-16(23)9-3-13/h2-9,12,17-18,23,27H,10-11,21H2,1H3,(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	12	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