BDBM50048322 (S)-3-(4-Hydroxy-phenyl)-2-{[4-((S)-2-mercapto-3-methyl-butyrylamino)-tetrahydro-pyran-4-carbonyl]-amino}-propionic acid::CHEMBL147899

SMILES: CC(C)[C@H](S)C(=O)NC1(CCOCC1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O

InChI Key: InChIKey=ROZJFWBHYHIGMW-HOTGVXAUSA-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 = 50048322   

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
Neutral Endopeptidase (NEP) (Rattus norvegicus (Rat))	BDBM50048322 ((S)-3-(4-Hydroxy-phenyl)-2-{[4-((S)-2-mercapto-3-m...) Show SMILES CC(C)[C@H](S)C(=O)NC1(CCOCC1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O Show InChI InChI=1S/C20H28N2O6S/c1-12(2)16(29)17(24)22-20(7-9-28-10-8-20)19(27)21-15(18(25)26)11-13-3-5-14(23)6-4-13/h3-6,12,15-16,23,29H,7-11H2,1-2H3,(H,21,27)(H,22,24)(H,25,26)/t15-,16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.40	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Evaluation of in vitro inhibitory activity against Neutral endopeptidase				J Med Chem 38: 5023-30 (1996) BindingDB Entry DOI: 10.7270/Q26D5TMH
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50048322 ((S)-3-(4-Hydroxy-phenyl)-2-{[4-((S)-2-mercapto-3-m...) Show SMILES CC(C)[C@H](S)C(=O)NC1(CCOCC1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O Show InChI InChI=1S/C20H28N2O6S/c1-12(2)16(29)17(24)22-20(7-9-28-10-8-20)19(27)21-15(18(25)26)11-13-3-5-14(23)6-4-13/h3-6,12,15-16,23,29H,7-11H2,1-2H3,(H,21,27)(H,22,24)(H,25,26)/t15-,16-/m0/s1	MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Evaluation of in vitro inhibitory activity against Angiotensin I converting enzyme				J Med Chem 38: 5023-30 (1996) BindingDB Entry DOI: 10.7270/Q26D5TMH
					More data for this Ligand-Target Pair