BDBM50046258 3-(4-Hydroxy-phenyl)-2-[2-(3-mercapto-5-methyl-hexanoylamino)-3-phenyl-propionylamino]-propionic acid::3-(4-hydroxyphenyl)-2-(2-(3-mercapto-5-methylhexanamido)-3-phenylpropanamido)propanoic acid::CHEMBL367174

SMILES: CC(C)CC(S)CC(=O)NC(Cc1ccccc1)C(=O)NC(Cc1ccc(O)cc1)C(O)=O

InChI Key: InChIKey=YEXFSKCFFQBJBR-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50046258   

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 (Oryctolagus cuniculus (rabbit))	BDBM50046258 (3-(4-Hydroxy-phenyl)-2-[2-(3-mercapto-5-methyl-hex...) Show SMILES CC(C)CC(S)CC(=O)NC(Cc1ccccc1)C(=O)NC(Cc1ccc(O)cc1)C(O)=O Show InChI InChI=1S/C25H32N2O5S/c1-16(2)12-20(33)15-23(29)26-21(13-17-6-4-3-5-7-17)24(30)27-22(25(31)32)14-18-8-10-19(28)11-9-18/h3-11,16,20-22,28,33H,12-15H2,1-2H3,(H,26,29)(H,27,30)(H,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Inhibitory concentration was evaluated by Inhibiting 50% of Neutral endopeptidase enzyme (NEP) activity using 20 nM [3H]-D-Ala2-Leu-enkephalin as sub...				J Med Chem 36: 87-94 (1993) BindingDB Entry DOI: 10.7270/Q26972NK
					More data for this Ligand-Target Pair
Neprilysin (Sus scrofa)	BDBM50046258 (3-(4-Hydroxy-phenyl)-2-[2-(3-mercapto-5-methyl-hex...) Show SMILES CC(C)CC(S)CC(=O)NC(Cc1ccccc1)C(=O)NC(Cc1ccc(O)cc1)C(O)=O Show InChI InChI=1S/C25H32N2O5S/c1-16(2)12-20(33)15-23(29)26-21(13-17-6-4-3-5-7-17)24(30)27-22(25(31)32)14-18-8-10-19(28)11-9-18/h3-11,16,20-22,28,33H,12-15H2,1-2H3,(H,26,29)(H,27,30)(H,31,32)	GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Dipartimento di Chimica Curated by ChEMBL					Assay Description Inhibition of pig kidney NEP by fluorimetry				Bioorg Med Chem Lett 19: 4715-9 (2009) Article DOI: 10.1016/j.bmcl.2009.06.064 BindingDB Entry DOI: 10.7270/Q2GH9JWT
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Homo sapiens (Human))	BDBM50046258 (3-(4-Hydroxy-phenyl)-2-[2-(3-mercapto-5-methyl-hex...) Show SMILES CC(C)CC(S)CC(=O)NC(Cc1ccccc1)C(=O)NC(Cc1ccc(O)cc1)C(O)=O Show InChI InChI=1S/C25H32N2O5S/c1-16(2)12-20(33)15-23(29)26-21(13-17-6-4-3-5-7-17)24(30)27-22(25(31)32)14-18-8-10-19(28)11-9-18/h3-11,16,20-22,28,33H,12-15H2,1-2H3,(H,26,29)(H,27,30)(H,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Dipartimento di Chimica Curated by ChEMBL					Assay Description Inhibition of human recombinant ACE by fluorimetry				Bioorg Med Chem Lett 19: 4715-9 (2009) Article DOI: 10.1016/j.bmcl.2009.06.064 BindingDB Entry DOI: 10.7270/Q2GH9JWT
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Homo sapiens (Human))	BDBM50046258 (3-(4-Hydroxy-phenyl)-2-[2-(3-mercapto-5-methyl-hex...) Show SMILES CC(C)CC(S)CC(=O)NC(Cc1ccccc1)C(=O)NC(Cc1ccc(O)cc1)C(O)=O Show InChI InChI=1S/C25H32N2O5S/c1-16(2)12-20(33)15-23(29)26-21(13-17-6-4-3-5-7-17)24(30)27-22(25(31)32)14-18-8-10-19(28)11-9-18/h3-11,16,20-22,28,33H,12-15H2,1-2H3,(H,26,29)(H,27,30)(H,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Inhibitory concentration was evaluated by Inhibiting 50% of Angiotensin I converting enzyme activity using 50 microM N-Cbz-Phe-His-Leu as substrate				J Med Chem 36: 87-94 (1993) BindingDB Entry DOI: 10.7270/Q26972NK
					More data for this Ligand-Target Pair