BDBM50038620 (R)-2-(2-Benzyl-4-mercapto-5-methyl-heptanoylamino)-3-(4-hydroxy-phenyl)-propionic acid::CHEMBL55520

SMILES: CCC(C)C(S)CC(Cc1ccccc1)C(=O)N[C@H](Cc1ccc(O)cc1)C(O)=O

InChI Key: InChIKey=GCAAQVSJZSXZDY-HTUXVTFRSA-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 = 50038620   

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 (Homo sapiens (Human))	BDBM50038620 ((R)-2-(2-Benzyl-4-mercapto-5-methyl-heptanoylamino...) Show SMILES CCC(C)C(S)CC(Cc1ccccc1)C(=O)N[C@H](Cc1ccc(O)cc1)C(O)=O Show InChI InChI=1S/C24H31NO4S/c1-3-16(2)22(30)15-19(13-17-7-5-4-6-8-17)23(27)25-21(24(28)29)14-18-9-11-20(26)12-10-18/h4-12,16,19,21-22,26,30H,3,13-15H2,1-2H3,(H,25,27)(H,28,29)/t16?,19?,21-,22?/m1/s1	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	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Tested for inhibitory potency against Angiotensin I Converting Enzyme				J Med Chem 37: 1865-73 (1994) BindingDB Entry DOI: 10.7270/Q2474BG6
					More data for this Ligand-Target Pair
Neprilysin (Oryctolagus cuniculus (rabbit))	BDBM50038620 ((R)-2-(2-Benzyl-4-mercapto-5-methyl-heptanoylamino...) Show SMILES CCC(C)C(S)CC(Cc1ccccc1)C(=O)N[C@H](Cc1ccc(O)cc1)C(O)=O Show InChI InChI=1S/C24H31NO4S/c1-3-16(2)22(30)15-19(13-17-7-5-4-6-8-17)23(27)25-21(24(28)29)14-18-9-11-20(26)12-10-18/h4-12,16,19,21-22,26,30H,3,13-15H2,1-2H3,(H,25,27)(H,28,29)/t16?,19?,21-,22?/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Tested for inhibitory potency against neutral endopeptidase (NEP)				J Med Chem 37: 1865-73 (1994) BindingDB Entry DOI: 10.7270/Q2474BG6
					More data for this Ligand-Target Pair